USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=33 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 -9:sc= 0.726 USER MOD Set 1.2: A 57 THR OG1 : rot 76:sc= 0.555 USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.98! USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 12 HIS : no HD1:sc= 0.936 K(o=0.94,f=-6.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.24) USER MOD Single : A 20 GLN : amide:sc= 0.531 K(o=0.53,f=-6.2!) USER MOD Single : A 21 LYS NZ :NH3+ -124:sc= 0.53 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -161:sc= -0.0432 (180deg=-0.372) USER MOD Single : A 27 MET CE :methyl -162:sc= -1.39 (180deg=-2.3) USER MOD Single : A 28 LYS NZ :NH3+ -158:sc= -0.067 (180deg=-0.443) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0128) USER MOD Single : A 32 LYS NZ :NH3+ 179:sc= 0.548 (180deg=0.546) USER MOD Single : A 34 LYS NZ :NH3+ 162:sc= -0.0469 (180deg=-0.331) USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= -0.0342 (180deg=-0.305) USER MOD Single : A 40 LYS NZ :NH3+ 166:sc= 1.33 (180deg=1.17) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 40:sc= 0.561 USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= -0.0567 (180deg=-0.294) USER MOD Single : A 54 LYS NZ :NH3+ 170:sc= 1.26 (180deg=0.82) USER MOD Single : A 59 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.14) USER MOD Single : A 61 LYS NZ :NH3+ -152:sc= 1.25 (180deg=0.99) USER MOD Single : A 69 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.362) USER MOD Single : A 70 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.021) USER MOD Single : A 76 LYS NZ :NH3+ 169:sc= 0.84 (180deg=0.745) USER MOD Single : A 81 LYS NZ :NH3+ 156:sc= 1.26 (180deg=1.04) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot -43:sc= 0.0145 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -167:sc=-0.00608 (180deg=-0.183) USER MOD Single : A 94 LYS NZ :NH3+ 174:sc= 0.57 (180deg=0.49) USER MOD Single : A 96 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00699) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.464 X(o=-0.46,f=-0.23) USER MOD Single : A 112 TYR OH : rot 180:sc= -0.179 USER MOD Single : A 121 LYS NZ :NH3+ -126:sc= 1.14 (180deg=-0.593) USER MOD Single : A 122 LYS NZ :NH3+ -112:sc= -0.495 (180deg=-2.08!) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N PHE A 3 -3.460 5.245 -11.177 1.00 1.08 N ATOM 106 CA PHE A 3 -2.970 4.888 -9.845 1.00 0.89 C ATOM 107 C PHE A 3 -2.254 6.058 -9.172 1.00 0.90 C ATOM 108 O PHE A 3 -1.038 6.224 -9.293 1.00 1.22 O ATOM 109 CB PHE A 3 -2.063 3.655 -9.910 1.00 0.94 C ATOM 110 CG PHE A 3 -2.758 2.441 -10.463 1.00 0.86 C ATOM 111 CD1 PHE A 3 -3.839 1.883 -9.803 1.00 0.90 C ATOM 112 CD2 PHE A 3 -2.320 1.854 -11.638 1.00 0.97 C ATOM 113 CE1 PHE A 3 -4.473 0.761 -10.306 1.00 0.97 C ATOM 114 CE2 PHE A 3 -2.949 0.735 -12.146 1.00 0.99 C ATOM 115 CZ PHE A 3 -4.059 0.211 -11.491 1.00 0.96 C ATOM 0 HA PHE A 3 -3.838 4.643 -9.233 1.00 0.89 H new ATOM 0 HB2 PHE A 3 -1.194 3.882 -10.528 1.00 0.94 H new ATOM 0 HB3 PHE A 3 -1.693 3.430 -8.910 1.00 0.94 H new ATOM 0 HD1 PHE A 3 -4.192 2.329 -8.885 1.00 0.90 H new ATOM 0 HD2 PHE A 3 -1.476 2.277 -12.163 1.00 0.97 H new ATOM 0 HE1 PHE A 3 -5.295 0.318 -9.764 1.00 0.97 H new ATOM 0 HE2 PHE A 3 -2.581 0.268 -13.048 1.00 0.99 H new ATOM 0 HZ PHE A 3 -4.593 -0.627 -11.915 1.00 0.96 H new ATOM 125 N THR A 4 -3.025 6.851 -8.442 1.00 0.74 N ATOM 126 CA THR A 4 -2.489 8.028 -7.777 1.00 0.76 C ATOM 127 C THR A 4 -2.833 8.028 -6.288 1.00 0.71 C ATOM 128 O THR A 4 -3.799 7.389 -5.864 1.00 0.76 O ATOM 129 CB THR A 4 -3.000 9.328 -8.424 1.00 0.77 C ATOM 130 OG1 THR A 4 -4.419 9.260 -8.594 1.00 0.68 O ATOM 131 CG2 THR A 4 -2.332 9.564 -9.772 1.00 0.96 C ATOM 0 H THR A 4 -4.023 6.700 -8.296 1.00 0.74 H new ATOM 0 HA THR A 4 -1.406 7.987 -7.890 1.00 0.76 H new ATOM 0 HB THR A 4 -2.750 10.160 -7.765 1.00 0.77 H new ATOM 0 HG1 THR A 4 -4.739 10.090 -9.004 1.00 0.68 H new ATOM 0 HG21 THR A 4 -2.710 10.488 -10.209 1.00 0.96 H new ATOM 0 HG22 THR A 4 -1.253 9.642 -9.635 1.00 0.96 H new ATOM 0 HG23 THR A 4 -2.554 8.731 -10.439 1.00 0.96 H new ATOM 139 N LEU A 5 -2.028 8.719 -5.500 1.00 0.74 N ATOM 140 CA LEU A 5 -2.190 8.763 -4.051 1.00 0.77 C ATOM 141 C LEU A 5 -3.536 9.366 -3.619 1.00 0.67 C ATOM 142 O LEU A 5 -4.239 8.786 -2.787 1.00 0.73 O ATOM 143 CB LEU A 5 -1.039 9.583 -3.447 1.00 0.91 C ATOM 144 CG LEU A 5 -0.531 9.149 -2.064 1.00 1.02 C ATOM 145 CD1 LEU A 5 -1.612 9.280 -1.006 1.00 1.67 C ATOM 146 CD2 LEU A 5 0.002 7.724 -2.116 1.00 1.67 C ATOM 0 H LEU A 5 -1.240 9.268 -5.845 1.00 0.74 H new ATOM 0 HA LEU A 5 -2.172 7.736 -3.685 1.00 0.77 H new ATOM 0 HB2 LEU A 5 -0.200 9.553 -4.142 1.00 0.91 H new ATOM 0 HB3 LEU A 5 -1.361 10.622 -3.380 1.00 0.91 H new ATOM 0 HG LEU A 5 0.284 9.816 -1.784 1.00 1.02 H new ATOM 0 HD11 LEU A 5 -1.216 8.964 -0.041 1.00 1.67 H new ATOM 0 HD12 LEU A 5 -1.936 10.319 -0.943 1.00 1.67 H new ATOM 0 HD13 LEU A 5 -2.461 8.651 -1.274 1.00 1.67 H new ATOM 0 HD21 LEU A 5 0.358 7.432 -1.128 1.00 1.67 H new ATOM 0 HD22 LEU A 5 -0.795 7.049 -2.429 1.00 1.67 H new ATOM 0 HD23 LEU A 5 0.825 7.669 -2.829 1.00 1.67 H new ATOM 158 N GLU A 6 -3.912 10.500 -4.213 1.00 0.60 N ATOM 159 CA GLU A 6 -5.254 11.056 -4.023 1.00 0.58 C ATOM 160 C GLU A 6 -6.292 10.024 -4.462 1.00 0.59 C ATOM 161 O GLU A 6 -7.320 9.905 -3.797 1.00 0.61 O ATOM 162 CB GLU A 6 -5.398 12.363 -4.803 1.00 0.62 C ATOM 163 CG GLU A 6 -4.516 13.472 -4.253 1.00 0.87 C ATOM 164 CD GLU A 6 -4.516 14.715 -5.114 1.00 1.35 C ATOM 165 OE1 GLU A 6 -5.489 15.495 -5.028 1.00 1.68 O ATOM 166 OE2 GLU A 6 -3.565 14.910 -5.896 1.00 1.80 O ATOM 0 H GLU A 6 -3.310 11.049 -4.827 1.00 0.60 H new ATOM 0 HA GLU A 6 -5.416 11.283 -2.969 1.00 0.58 H new ATOM 0 HB2 GLU A 6 -5.145 12.188 -5.849 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -6.439 12.685 -4.776 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -4.854 13.733 -3.250 1.00 0.87 H new ATOM 0 HG3 GLU A 6 -3.495 13.103 -4.159 1.00 0.87 H new ATOM 173 N SER A 7 -6.076 9.293 -5.543 1.00 0.59 N ATOM 174 CA SER A 7 -7.065 8.324 -6.017 1.00 0.63 C ATOM 175 C SER A 7 -7.460 7.302 -4.940 1.00 0.62 C ATOM 176 O SER A 7 -8.509 6.669 -5.047 1.00 0.78 O ATOM 177 CB SER A 7 -6.538 7.597 -7.257 1.00 0.67 C ATOM 178 OG SER A 7 -7.535 6.786 -7.856 1.00 1.14 O ATOM 0 H SER A 7 -5.230 9.347 -6.111 1.00 0.59 H new ATOM 0 HA SER A 7 -7.963 8.887 -6.270 1.00 0.63 H new ATOM 0 HB2 SER A 7 -6.180 8.328 -7.982 1.00 0.67 H new ATOM 0 HB3 SER A 7 -5.684 6.978 -6.980 1.00 0.67 H new ATOM 0 HG SER A 7 -7.163 6.339 -8.645 1.00 1.14 H new ATOM 184 N SER A 8 -6.640 7.129 -3.905 1.00 0.53 N ATOM 185 CA SER A 8 -6.926 6.133 -2.881 1.00 0.52 C ATOM 186 C SER A 8 -7.589 6.695 -1.618 1.00 0.48 C ATOM 187 O SER A 8 -8.131 5.938 -0.824 1.00 0.48 O ATOM 188 CB SER A 8 -5.665 5.361 -2.507 1.00 0.57 C ATOM 189 OG SER A 8 -5.064 4.775 -3.651 1.00 1.02 O ATOM 0 H SER A 8 -5.782 7.660 -3.756 1.00 0.53 H new ATOM 0 HA SER A 8 -7.656 5.461 -3.333 1.00 0.52 H new ATOM 0 HB2 SER A 8 -4.955 6.032 -2.023 1.00 0.57 H new ATOM 0 HB3 SER A 8 -5.912 4.583 -1.784 1.00 0.57 H new ATOM 0 HG SER A 8 -4.257 4.288 -3.383 1.00 1.02 H new ATOM 195 N LEU A 9 -7.491 8.012 -1.404 1.00 0.47 N ATOM 196 CA LEU A 9 -7.744 8.625 -0.095 1.00 0.46 C ATOM 197 C LEU A 9 -9.081 8.310 0.574 1.00 0.46 C ATOM 198 O LEU A 9 -9.191 8.272 1.792 1.00 0.42 O ATOM 199 CB LEU A 9 -7.564 10.116 -0.208 1.00 0.49 C ATOM 200 CG LEU A 9 -6.179 10.528 -0.663 1.00 0.49 C ATOM 201 CD1 LEU A 9 -6.176 11.994 -0.984 1.00 1.04 C ATOM 202 CD2 LEU A 9 -5.139 10.187 0.397 1.00 0.78 C ATOM 0 H LEU A 9 -7.235 8.681 -2.130 1.00 0.47 H new ATOM 0 HA LEU A 9 -7.012 8.166 0.569 1.00 0.46 H new ATOM 0 HB2 LEU A 9 -8.300 10.510 -0.909 1.00 0.49 H new ATOM 0 HB3 LEU A 9 -7.770 10.573 0.760 1.00 0.49 H new ATOM 0 HG LEU A 9 -5.915 9.974 -1.564 1.00 0.49 H new ATOM 0 HD11 LEU A 9 -5.180 12.293 -1.312 1.00 1.04 H new ATOM 0 HD12 LEU A 9 -6.895 12.194 -1.779 1.00 1.04 H new ATOM 0 HD13 LEU A 9 -6.451 12.562 -0.095 1.00 1.04 H new ATOM 0 HD21 LEU A 9 -4.152 10.491 0.049 1.00 0.78 H new ATOM 0 HD22 LEU A 9 -5.376 10.713 1.322 1.00 0.78 H new ATOM 0 HD23 LEU A 9 -5.144 9.112 0.579 1.00 0.78 H new ATOM 214 N ASP A 10 -10.095 8.137 -0.258 1.00 0.51 N ATOM 215 CA ASP A 10 -11.420 7.772 0.235 1.00 0.53 C ATOM 216 C ASP A 10 -11.700 6.304 -0.001 1.00 0.54 C ATOM 217 O ASP A 10 -12.786 5.812 0.299 1.00 0.57 O ATOM 218 CB ASP A 10 -12.504 8.615 -0.441 1.00 0.57 C ATOM 219 CG ASP A 10 -12.603 10.011 0.140 1.00 0.78 C ATOM 220 OD1 ASP A 10 -13.314 10.185 1.152 1.00 0.77 O ATOM 221 OD2 ASP A 10 -11.975 10.941 -0.414 1.00 1.32 O ATOM 0 H ASP A 10 -10.031 8.242 -1.271 1.00 0.51 H new ATOM 0 HA ASP A 10 -11.436 7.966 1.307 1.00 0.53 H new ATOM 0 HB2 ASP A 10 -12.293 8.684 -1.508 1.00 0.57 H new ATOM 0 HB3 ASP A 10 -13.466 8.113 -0.338 1.00 0.57 H new ATOM 226 N THR A 11 -10.724 5.603 -0.537 1.00 0.54 N ATOM 227 CA THR A 11 -10.878 4.195 -0.805 1.00 0.56 C ATOM 228 C THR A 11 -9.794 3.365 -0.114 1.00 0.53 C ATOM 229 O THR A 11 -9.883 3.061 1.076 1.00 0.53 O ATOM 230 CB THR A 11 -10.882 3.906 -2.322 1.00 0.62 C ATOM 231 OG1 THR A 11 -9.792 4.590 -2.959 1.00 0.59 O ATOM 232 CG2 THR A 11 -12.193 4.343 -2.956 1.00 0.69 C ATOM 0 H THR A 11 -9.816 5.988 -0.795 1.00 0.54 H new ATOM 0 HA THR A 11 -11.844 3.901 -0.395 1.00 0.56 H new ATOM 0 HB THR A 11 -10.768 2.831 -2.460 1.00 0.62 H new ATOM 0 HG1 THR A 11 -9.803 4.399 -3.920 1.00 0.59 H new ATOM 0 HG21 THR A 11 -12.170 4.128 -4.024 1.00 0.69 H new ATOM 0 HG22 THR A 11 -13.019 3.801 -2.495 1.00 0.69 H new ATOM 0 HG23 THR A 11 -12.332 5.413 -2.804 1.00 0.69 H new ATOM 240 N HIS A 12 -8.771 3.010 -0.880 1.00 0.51 N ATOM 241 CA HIS A 12 -7.691 2.175 -0.364 1.00 0.49 C ATOM 242 C HIS A 12 -6.960 2.845 0.803 1.00 0.43 C ATOM 243 O HIS A 12 -6.559 2.168 1.749 1.00 0.43 O ATOM 244 CB HIS A 12 -6.712 1.785 -1.474 1.00 0.49 C ATOM 245 CG HIS A 12 -7.380 1.144 -2.650 1.00 0.57 C ATOM 246 ND1 HIS A 12 -8.180 0.025 -2.545 1.00 1.50 N ATOM 247 CD2 HIS A 12 -7.390 1.487 -3.958 1.00 0.90 C ATOM 248 CE1 HIS A 12 -8.650 -0.289 -3.738 1.00 1.34 C ATOM 249 NE2 HIS A 12 -8.184 0.583 -4.609 1.00 0.66 N ATOM 0 H HIS A 12 -8.665 3.285 -1.857 1.00 0.51 H new ATOM 0 HA HIS A 12 -8.147 1.262 0.019 1.00 0.49 H new ATOM 0 HB2 HIS A 12 -6.178 2.675 -1.808 1.00 0.49 H new ATOM 0 HB3 HIS A 12 -5.968 1.100 -1.069 1.00 0.49 H new ATOM 0 HD2 HIS A 12 -6.868 2.320 -4.406 1.00 0.90 H new ATOM 0 HE1 HIS A 12 -9.304 -1.119 -3.962 1.00 1.34 H new ATOM 0 HE2 HIS A 12 -8.383 0.584 -5.609 1.00 0.66 H new ATOM 258 N LEU A 13 -6.779 4.156 0.751 1.00 0.40 N ATOM 259 CA LEU A 13 -5.939 4.826 1.734 1.00 0.36 C ATOM 260 C LEU A 13 -6.740 5.678 2.717 1.00 0.34 C ATOM 261 O LEU A 13 -6.223 6.613 3.324 1.00 0.32 O ATOM 262 CB LEU A 13 -4.886 5.690 1.035 1.00 0.34 C ATOM 263 CG LEU A 13 -3.808 4.911 0.276 1.00 0.38 C ATOM 264 CD1 LEU A 13 -2.802 5.867 -0.342 1.00 1.13 C ATOM 265 CD2 LEU A 13 -3.104 3.924 1.197 1.00 0.84 C ATOM 0 H LEU A 13 -7.195 4.770 0.051 1.00 0.40 H new ATOM 0 HA LEU A 13 -5.450 4.042 2.312 1.00 0.36 H new ATOM 0 HB2 LEU A 13 -5.391 6.357 0.336 1.00 0.34 H new ATOM 0 HB3 LEU A 13 -4.401 6.319 1.781 1.00 0.34 H new ATOM 0 HG LEU A 13 -4.292 4.348 -0.522 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -2.042 5.299 -0.878 1.00 1.13 H new ATOM 0 HD12 LEU A 13 -3.313 6.534 -1.036 1.00 1.13 H new ATOM 0 HD13 LEU A 13 -2.328 6.455 0.444 1.00 1.13 H new ATOM 0 HD21 LEU A 13 -2.343 3.382 0.636 1.00 0.84 H new ATOM 0 HD22 LEU A 13 -2.634 4.465 2.018 1.00 0.84 H new ATOM 0 HD23 LEU A 13 -3.831 3.217 1.597 1.00 0.84 H new ATOM 277 N LYS A 14 -8.014 5.332 2.859 1.00 0.38 N ATOM 278 CA LYS A 14 -8.925 6.094 3.700 1.00 0.38 C ATOM 279 C LYS A 14 -8.670 5.849 5.186 1.00 0.35 C ATOM 280 O LYS A 14 -9.184 6.564 6.044 1.00 0.36 O ATOM 281 CB LYS A 14 -10.379 5.785 3.353 1.00 0.45 C ATOM 282 CG LYS A 14 -10.810 4.358 3.628 1.00 0.64 C ATOM 283 CD LYS A 14 -12.310 4.207 3.452 1.00 0.67 C ATOM 284 CE LYS A 14 -12.765 2.784 3.712 1.00 1.26 C ATOM 285 NZ LYS A 14 -14.246 2.669 3.719 1.00 1.69 N ATOM 0 H LYS A 14 -8.439 4.526 2.401 1.00 0.38 H new ATOM 0 HA LYS A 14 -8.735 7.149 3.501 1.00 0.38 H new ATOM 0 HB2 LYS A 14 -11.023 6.459 3.917 1.00 0.45 H new ATOM 0 HB3 LYS A 14 -10.539 6.001 2.297 1.00 0.45 H new ATOM 0 HG2 LYS A 14 -10.289 3.679 2.953 1.00 0.64 H new ATOM 0 HG3 LYS A 14 -10.528 4.077 4.643 1.00 0.64 H new ATOM 0 HD2 LYS A 14 -12.826 4.884 4.133 1.00 0.67 H new ATOM 0 HD3 LYS A 14 -12.589 4.499 2.440 1.00 0.67 H new ATOM 0 HE2 LYS A 14 -12.353 2.126 2.947 1.00 1.26 H new ATOM 0 HE3 LYS A 14 -12.370 2.446 4.670 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 -14.517 1.681 3.900 1.00 1.69 H new ATOM 0 HZ2 LYS A 14 -14.638 3.278 4.466 1.00 1.69 H new ATOM 0 HZ3 LYS A 14 -14.622 2.967 2.796 1.00 1.69 H new ATOM 299 N TRP A 15 -7.884 4.821 5.477 1.00 0.34 N ATOM 300 CA TRP A 15 -7.509 4.512 6.852 1.00 0.33 C ATOM 301 C TRP A 15 -6.432 5.483 7.335 1.00 0.29 C ATOM 302 O TRP A 15 -6.068 5.494 8.514 1.00 0.29 O ATOM 303 CB TRP A 15 -6.989 3.075 6.955 1.00 0.35 C ATOM 304 CG TRP A 15 -5.796 2.824 6.087 1.00 0.33 C ATOM 305 CD1 TRP A 15 -5.813 2.476 4.772 1.00 0.34 C ATOM 306 CD2 TRP A 15 -4.416 2.906 6.466 1.00 0.30 C ATOM 307 NE1 TRP A 15 -4.530 2.341 4.303 1.00 0.33 N ATOM 308 CE2 TRP A 15 -3.654 2.596 5.326 1.00 0.30 C ATOM 309 CE3 TRP A 15 -3.749 3.210 7.658 1.00 0.30 C ATOM 310 CZ2 TRP A 15 -2.262 2.583 5.340 1.00 0.30 C ATOM 311 CZ3 TRP A 15 -2.367 3.196 7.671 1.00 0.30 C ATOM 312 CH2 TRP A 15 -1.635 2.886 6.519 1.00 0.30 C ATOM 0 H TRP A 15 -7.493 4.187 4.780 1.00 0.34 H new ATOM 0 HA TRP A 15 -8.393 4.614 7.481 1.00 0.33 H new ATOM 0 HB2 TRP A 15 -6.729 2.861 7.992 1.00 0.35 H new ATOM 0 HB3 TRP A 15 -7.786 2.385 6.677 1.00 0.35 H new ATOM 0 HD1 TRP A 15 -6.706 2.328 4.183 1.00 0.34 H new ATOM 0 HE1 TRP A 15 -4.271 2.092 3.349 1.00 0.33 H new ATOM 0 HE3 TRP A 15 -4.304 3.451 8.552 1.00 0.30 H new ATOM 0 HZ2 TRP A 15 -1.696 2.342 4.452 1.00 0.30 H new ATOM 0 HZ3 TRP A 15 -1.843 3.428 8.586 1.00 0.30 H new ATOM 0 HH2 TRP A 15 -0.556 2.886 6.561 1.00 0.30 H new ATOM 323 N LEU A 16 -5.924 6.299 6.413 1.00 0.28 N ATOM 324 CA LEU A 16 -4.999 7.363 6.763 1.00 0.26 C ATOM 325 C LEU A 16 -5.783 8.503 7.408 1.00 0.27 C ATOM 326 O LEU A 16 -6.937 8.763 7.071 1.00 0.31 O ATOM 327 CB LEU A 16 -4.263 7.894 5.521 1.00 0.25 C ATOM 328 CG LEU A 16 -3.334 6.912 4.790 1.00 0.26 C ATOM 329 CD1 LEU A 16 -2.885 7.506 3.463 1.00 0.26 C ATOM 330 CD2 LEU A 16 -2.111 6.574 5.632 1.00 0.30 C ATOM 0 H LEU A 16 -6.141 6.239 5.418 1.00 0.28 H new ATOM 0 HA LEU A 16 -4.256 6.966 7.455 1.00 0.26 H new ATOM 0 HB2 LEU A 16 -5.009 8.248 4.810 1.00 0.25 H new ATOM 0 HB3 LEU A 16 -3.673 8.760 5.821 1.00 0.25 H new ATOM 0 HG LEU A 16 -3.895 5.995 4.612 1.00 0.26 H new ATOM 0 HD11 LEU A 16 -2.227 6.802 2.953 1.00 0.26 H new ATOM 0 HD12 LEU A 16 -3.757 7.705 2.840 1.00 0.26 H new ATOM 0 HD13 LEU A 16 -2.349 8.438 3.644 1.00 0.26 H new ATOM 0 HD21 LEU A 16 -1.475 5.877 5.086 1.00 0.30 H new ATOM 0 HD22 LEU A 16 -1.552 7.486 5.845 1.00 0.30 H new ATOM 0 HD23 LEU A 16 -2.429 6.117 6.569 1.00 0.30 H new ATOM 342 N SER A 17 -5.120 9.165 8.333 1.00 0.27 N ATOM 343 CA SER A 17 -5.704 10.319 8.991 1.00 0.30 C ATOM 344 C SER A 17 -5.538 11.541 8.093 1.00 0.33 C ATOM 345 O SER A 17 -4.680 11.522 7.212 1.00 0.34 O ATOM 346 CB SER A 17 -5.041 10.546 10.351 1.00 0.31 C ATOM 347 OG SER A 17 -5.716 11.538 11.100 1.00 1.24 O ATOM 0 H SER A 17 -4.179 8.926 8.647 1.00 0.27 H new ATOM 0 HA SER A 17 -6.766 10.146 9.163 1.00 0.30 H new ATOM 0 HB2 SER A 17 -5.029 9.611 10.911 1.00 0.31 H new ATOM 0 HB3 SER A 17 -4.002 10.843 10.205 1.00 0.31 H new ATOM 0 HG SER A 17 -5.268 11.657 11.963 1.00 1.24 H new ATOM 353 N GLN A 18 -6.349 12.582 8.284 1.00 0.36 N ATOM 354 CA GLN A 18 -6.264 13.767 7.430 1.00 0.41 C ATOM 355 C GLN A 18 -4.837 14.301 7.414 1.00 0.41 C ATOM 356 O GLN A 18 -4.284 14.570 6.348 1.00 0.42 O ATOM 357 CB GLN A 18 -7.240 14.852 7.885 1.00 0.47 C ATOM 358 CG GLN A 18 -7.290 16.051 6.950 1.00 1.19 C ATOM 359 CD GLN A 18 -7.698 15.671 5.538 1.00 1.41 C ATOM 360 OE1 GLN A 18 -6.857 15.373 4.692 1.00 1.90 O ATOM 361 NE2 GLN A 18 -8.995 15.679 5.281 1.00 1.91 N ATOM 0 H GLN A 18 -7.062 12.630 9.011 1.00 0.36 H new ATOM 0 HA GLN A 18 -6.543 13.476 6.417 1.00 0.41 H new ATOM 0 HB2 GLN A 18 -8.238 14.422 7.966 1.00 0.47 H new ATOM 0 HB3 GLN A 18 -6.957 15.190 8.882 1.00 0.47 H new ATOM 0 HG2 GLN A 18 -7.994 16.785 7.343 1.00 1.19 H new ATOM 0 HG3 GLN A 18 -6.311 16.529 6.925 1.00 1.19 H new ATOM 0 HE21 GLN A 18 -9.658 15.933 6.013 1.00 1.91 H new ATOM 0 HE22 GLN A 18 -9.332 15.431 4.351 1.00 1.91 H new ATOM 370 N GLU A 19 -4.239 14.426 8.596 1.00 0.41 N ATOM 371 CA GLU A 19 -2.890 14.918 8.716 1.00 0.42 C ATOM 372 C GLU A 19 -1.927 14.026 7.939 1.00 0.40 C ATOM 373 O GLU A 19 -0.952 14.515 7.372 1.00 0.42 O ATOM 374 CB GLU A 19 -2.509 14.992 10.183 1.00 0.41 C ATOM 375 CG GLU A 19 -3.289 16.038 10.961 1.00 1.18 C ATOM 376 CD GLU A 19 -2.749 16.244 12.359 1.00 1.79 C ATOM 377 OE1 GLU A 19 -1.796 17.034 12.516 1.00 2.01 O ATOM 378 OE2 GLU A 19 -3.271 15.617 13.304 1.00 2.49 O ATOM 0 H GLU A 19 -4.680 14.189 9.484 1.00 0.41 H new ATOM 0 HA GLU A 19 -2.829 15.919 8.289 1.00 0.42 H new ATOM 0 HB2 GLU A 19 -2.669 14.016 10.641 1.00 0.41 H new ATOM 0 HB3 GLU A 19 -1.444 15.211 10.263 1.00 0.41 H new ATOM 0 HG2 GLU A 19 -3.260 16.984 10.421 1.00 1.18 H new ATOM 0 HG3 GLU A 19 -4.335 15.737 11.020 1.00 1.18 H new ATOM 385 N GLN A 20 -2.198 12.726 7.906 1.00 0.37 N ATOM 386 CA GLN A 20 -1.370 11.800 7.146 1.00 0.36 C ATOM 387 C GLN A 20 -1.620 12.012 5.662 1.00 0.38 C ATOM 388 O GLN A 20 -0.680 12.141 4.893 1.00 0.41 O ATOM 389 CB GLN A 20 -1.670 10.353 7.547 1.00 0.33 C ATOM 390 CG GLN A 20 -1.416 10.061 9.017 1.00 0.37 C ATOM 391 CD GLN A 20 -1.762 8.636 9.404 1.00 0.77 C ATOM 392 OE1 GLN A 20 -2.651 8.018 8.819 1.00 1.57 O ATOM 393 NE2 GLN A 20 -1.069 8.107 10.396 1.00 1.04 N ATOM 0 H GLN A 20 -2.981 12.292 8.395 1.00 0.37 H new ATOM 0 HA GLN A 20 -0.319 11.992 7.364 1.00 0.36 H new ATOM 0 HB2 GLN A 20 -2.712 10.130 7.316 1.00 0.33 H new ATOM 0 HB3 GLN A 20 -1.059 9.683 6.942 1.00 0.33 H new ATOM 0 HG2 GLN A 20 -0.367 10.249 9.244 1.00 0.37 H new ATOM 0 HG3 GLN A 20 -2.002 10.750 9.626 1.00 0.37 H new ATOM 0 HE21 GLN A 20 -0.340 8.652 10.856 1.00 1.04 H new ATOM 0 HE22 GLN A 20 -1.263 7.154 10.702 1.00 1.04 H new ATOM 402 N LYS A 21 -2.883 12.065 5.263 1.00 0.38 N ATOM 403 CA LYS A 21 -3.230 12.296 3.863 1.00 0.42 C ATOM 404 C LYS A 21 -2.553 13.569 3.368 1.00 0.42 C ATOM 405 O LYS A 21 -1.829 13.560 2.380 1.00 0.43 O ATOM 406 CB LYS A 21 -4.747 12.407 3.694 1.00 0.47 C ATOM 407 CG LYS A 21 -5.494 11.131 4.046 1.00 0.56 C ATOM 408 CD LYS A 21 -6.994 11.299 3.879 1.00 0.54 C ATOM 409 CE LYS A 21 -7.727 9.995 4.149 1.00 0.57 C ATOM 410 NZ LYS A 21 -9.201 10.153 4.050 1.00 0.95 N ATOM 0 H LYS A 21 -3.684 11.952 5.885 1.00 0.38 H new ATOM 0 HA LYS A 21 -2.880 11.450 3.272 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -5.116 13.219 4.321 1.00 0.47 H new ATOM 0 HB3 LYS A 21 -4.970 12.676 2.662 1.00 0.47 H new ATOM 0 HG2 LYS A 21 -5.145 10.317 3.410 1.00 0.56 H new ATOM 0 HG3 LYS A 21 -5.271 10.850 5.075 1.00 0.56 H new ATOM 0 HD2 LYS A 21 -7.354 12.070 4.561 1.00 0.54 H new ATOM 0 HD3 LYS A 21 -7.214 11.640 2.867 1.00 0.54 H new ATOM 0 HE2 LYS A 21 -7.395 9.239 3.438 1.00 0.57 H new ATOM 0 HE3 LYS A 21 -7.467 9.633 5.144 1.00 0.57 H new ATOM 0 HZ1 LYS A 21 -9.644 9.842 4.938 1.00 0.95 H new ATOM 0 HZ2 LYS A 21 -9.432 11.153 3.879 1.00 0.95 H new ATOM 0 HZ3 LYS A 21 -9.560 9.576 3.263 1.00 0.95 H new ATOM 424 N ASP A 22 -2.740 14.638 4.117 1.00 0.44 N ATOM 425 CA ASP A 22 -2.140 15.931 3.808 1.00 0.46 C ATOM 426 C ASP A 22 -0.613 15.857 3.848 1.00 0.46 C ATOM 427 O ASP A 22 0.057 16.590 3.122 1.00 0.48 O ATOM 428 CB ASP A 22 -2.622 16.955 4.844 1.00 0.49 C ATOM 429 CG ASP A 22 -2.003 18.325 4.666 1.00 0.58 C ATOM 430 OD1 ASP A 22 -2.385 19.047 3.720 1.00 0.67 O ATOM 431 OD2 ASP A 22 -1.136 18.697 5.486 1.00 0.64 O ATOM 0 H ASP A 22 -3.313 14.639 4.961 1.00 0.44 H new ATOM 0 HA ASP A 22 -2.441 16.226 2.803 1.00 0.46 H new ATOM 0 HB2 ASP A 22 -3.707 17.043 4.780 1.00 0.49 H new ATOM 0 HB3 ASP A 22 -2.391 16.587 5.843 1.00 0.49 H new ATOM 436 N GLU A 23 -0.059 14.970 4.667 1.00 0.44 N ATOM 437 CA GLU A 23 1.357 14.690 4.638 1.00 0.45 C ATOM 438 C GLU A 23 1.770 14.041 3.314 1.00 0.42 C ATOM 439 O GLU A 23 2.725 14.487 2.675 1.00 0.44 O ATOM 440 CB GLU A 23 1.725 13.788 5.813 1.00 0.47 C ATOM 441 CG GLU A 23 3.064 14.145 6.389 1.00 0.71 C ATOM 442 CD GLU A 23 3.399 13.412 7.672 1.00 0.97 C ATOM 443 OE1 GLU A 23 3.009 13.900 8.757 1.00 1.43 O ATOM 444 OE2 GLU A 23 4.069 12.359 7.611 1.00 1.40 O ATOM 0 H GLU A 23 -0.580 14.433 5.361 1.00 0.44 H new ATOM 0 HA GLU A 23 1.897 15.633 4.724 1.00 0.45 H new ATOM 0 HB2 GLU A 23 0.962 13.870 6.587 1.00 0.47 H new ATOM 0 HB3 GLU A 23 1.736 12.749 5.485 1.00 0.47 H new ATOM 0 HG2 GLU A 23 3.835 13.931 5.649 1.00 0.71 H new ATOM 0 HG3 GLU A 23 3.092 15.218 6.578 1.00 0.71 H new ATOM 451 N LEU A 24 1.065 12.993 2.897 1.00 0.40 N ATOM 452 CA LEU A 24 1.338 12.302 1.634 1.00 0.39 C ATOM 453 C LEU A 24 1.238 13.273 0.453 1.00 0.39 C ATOM 454 O LEU A 24 2.158 13.370 -0.362 1.00 0.41 O ATOM 455 CB LEU A 24 0.336 11.150 1.439 1.00 0.38 C ATOM 456 CG LEU A 24 0.559 9.869 2.268 1.00 0.50 C ATOM 457 CD1 LEU A 24 1.590 8.963 1.638 1.00 1.16 C ATOM 458 CD2 LEU A 24 0.985 10.166 3.684 1.00 1.33 C ATOM 0 H LEU A 24 0.287 12.596 3.424 1.00 0.40 H new ATOM 0 HA LEU A 24 2.351 11.901 1.674 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -0.661 11.528 1.665 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.341 10.874 0.384 1.00 0.38 H new ATOM 0 HG LEU A 24 -0.407 9.365 2.287 1.00 0.50 H new ATOM 0 HD11 LEU A 24 1.717 8.073 2.254 1.00 1.16 H new ATOM 0 HD12 LEU A 24 1.258 8.671 0.642 1.00 1.16 H new ATOM 0 HD13 LEU A 24 2.541 9.491 1.563 1.00 1.16 H new ATOM 0 HD21 LEU A 24 1.129 9.230 4.225 1.00 1.33 H new ATOM 0 HD22 LEU A 24 1.920 10.726 3.673 1.00 1.33 H new ATOM 0 HD23 LEU A 24 0.214 10.757 4.179 1.00 1.33 H new ATOM 470 N LEU A 25 0.099 13.965 0.360 1.00 0.40 N ATOM 471 CA LEU A 25 -0.113 15.017 -0.623 1.00 0.43 C ATOM 472 C LEU A 25 1.030 16.025 -0.639 1.00 0.46 C ATOM 473 O LEU A 25 1.481 16.446 -1.706 1.00 0.48 O ATOM 474 CB LEU A 25 -1.431 15.726 -0.324 1.00 0.45 C ATOM 475 CG LEU A 25 -2.676 15.023 -0.862 1.00 0.49 C ATOM 476 CD1 LEU A 25 -2.872 13.653 -0.249 1.00 1.02 C ATOM 477 CD2 LEU A 25 -3.911 15.886 -0.661 1.00 1.06 C ATOM 0 H LEU A 25 -0.703 13.806 0.970 1.00 0.40 H new ATOM 0 HA LEU A 25 -0.150 14.555 -1.610 1.00 0.43 H new ATOM 0 HB2 LEU A 25 -1.531 15.835 0.756 1.00 0.45 H new ATOM 0 HB3 LEU A 25 -1.389 16.731 -0.743 1.00 0.45 H new ATOM 0 HG LEU A 25 -2.523 14.875 -1.931 1.00 0.49 H new ATOM 0 HD11 LEU A 25 -3.770 13.194 -0.663 1.00 1.02 H new ATOM 0 HD12 LEU A 25 -2.008 13.027 -0.473 1.00 1.02 H new ATOM 0 HD13 LEU A 25 -2.980 13.750 0.831 1.00 1.02 H new ATOM 0 HD21 LEU A 25 -4.786 15.366 -1.051 1.00 1.06 H new ATOM 0 HD22 LEU A 25 -4.049 16.081 0.402 1.00 1.06 H new ATOM 0 HD23 LEU A 25 -3.785 16.831 -1.190 1.00 1.06 H new ATOM 489 N LYS A 26 1.505 16.391 0.544 1.00 0.47 N ATOM 490 CA LYS A 26 2.582 17.359 0.675 1.00 0.51 C ATOM 491 C LYS A 26 3.846 16.837 0.015 1.00 0.49 C ATOM 492 O LYS A 26 4.505 17.553 -0.739 1.00 0.51 O ATOM 493 CB LYS A 26 2.853 17.638 2.155 1.00 0.56 C ATOM 494 CG LYS A 26 3.777 18.818 2.406 1.00 0.93 C ATOM 495 CD LYS A 26 3.199 20.105 1.840 1.00 1.62 C ATOM 496 CE LYS A 26 3.984 21.322 2.302 1.00 2.50 C ATOM 497 NZ LYS A 26 3.878 21.524 3.772 1.00 3.24 N ATOM 0 H LYS A 26 1.157 16.028 1.432 1.00 0.47 H new ATOM 0 HA LYS A 26 2.282 18.283 0.181 1.00 0.51 H new ATOM 0 HB2 LYS A 26 1.904 17.820 2.659 1.00 0.56 H new ATOM 0 HB3 LYS A 26 3.288 16.747 2.608 1.00 0.56 H new ATOM 0 HG2 LYS A 26 3.942 18.932 3.477 1.00 0.93 H new ATOM 0 HG3 LYS A 26 4.749 18.624 1.953 1.00 0.93 H new ATOM 0 HD2 LYS A 26 3.205 20.059 0.751 1.00 1.62 H new ATOM 0 HD3 LYS A 26 2.158 20.204 2.149 1.00 1.62 H new ATOM 0 HE2 LYS A 26 5.032 21.204 2.026 1.00 2.50 H new ATOM 0 HE3 LYS A 26 3.616 22.209 1.786 1.00 2.50 H new ATOM 0 HZ1 LYS A 26 4.138 22.503 4.007 1.00 3.24 H new ATOM 0 HZ2 LYS A 26 2.901 21.342 4.078 1.00 3.24 H new ATOM 0 HZ3 LYS A 26 4.521 20.869 4.260 1.00 3.24 H new ATOM 511 N MET A 27 4.157 15.581 0.286 1.00 0.47 N ATOM 512 CA MET A 27 5.307 14.932 -0.318 1.00 0.47 C ATOM 513 C MET A 27 5.189 14.835 -1.838 1.00 0.47 C ATOM 514 O MET A 27 6.111 15.231 -2.554 1.00 0.49 O ATOM 515 CB MET A 27 5.525 13.544 0.281 1.00 0.49 C ATOM 516 CG MET A 27 5.894 13.568 1.757 1.00 0.50 C ATOM 517 SD MET A 27 7.110 12.306 2.196 1.00 0.92 S ATOM 518 CE MET A 27 6.318 10.827 1.576 1.00 0.79 C ATOM 0 H MET A 27 3.626 14.988 0.924 1.00 0.47 H new ATOM 0 HA MET A 27 6.172 15.557 -0.096 1.00 0.47 H new ATOM 0 HB2 MET A 27 4.617 12.955 0.152 1.00 0.49 H new ATOM 0 HB3 MET A 27 6.315 13.038 -0.274 1.00 0.49 H new ATOM 0 HG2 MET A 27 6.290 14.551 2.012 1.00 0.50 H new ATOM 0 HG3 MET A 27 4.994 13.422 2.354 1.00 0.50 H new ATOM 0 HE1 MET A 27 6.770 9.950 2.040 1.00 0.79 H new ATOM 0 HE2 MET A 27 5.255 10.856 1.815 1.00 0.79 H new ATOM 0 HE3 MET A 27 6.446 10.772 0.495 1.00 0.79 H new ATOM 528 N LYS A 28 4.068 14.320 -2.339 1.00 0.45 N ATOM 529 CA LYS A 28 3.864 14.180 -3.781 1.00 0.49 C ATOM 530 C LYS A 28 3.981 15.526 -4.502 1.00 0.54 C ATOM 531 O LYS A 28 4.604 15.622 -5.560 1.00 0.58 O ATOM 532 CB LYS A 28 2.494 13.555 -4.056 1.00 0.50 C ATOM 533 CG LYS A 28 2.066 13.641 -5.513 1.00 0.79 C ATOM 534 CD LYS A 28 0.755 12.915 -5.755 1.00 1.41 C ATOM 535 CE LYS A 28 0.953 11.414 -5.852 1.00 1.82 C ATOM 536 NZ LYS A 28 1.753 11.036 -7.046 1.00 2.44 N ATOM 0 H LYS A 28 3.288 13.993 -1.769 1.00 0.45 H new ATOM 0 HA LYS A 28 4.647 13.527 -4.167 1.00 0.49 H new ATOM 0 HB2 LYS A 28 2.514 12.508 -3.753 1.00 0.50 H new ATOM 0 HB3 LYS A 28 1.747 14.051 -3.437 1.00 0.50 H new ATOM 0 HG2 LYS A 28 1.962 14.687 -5.801 1.00 0.79 H new ATOM 0 HG3 LYS A 28 2.842 13.212 -6.147 1.00 0.79 H new ATOM 0 HD2 LYS A 28 0.061 13.139 -4.945 1.00 1.41 H new ATOM 0 HD3 LYS A 28 0.300 13.282 -6.675 1.00 1.41 H new ATOM 0 HE2 LYS A 28 1.452 11.055 -4.952 1.00 1.82 H new ATOM 0 HE3 LYS A 28 -0.019 10.922 -5.895 1.00 1.82 H new ATOM 0 HZ1 LYS A 28 1.563 10.043 -7.291 1.00 2.44 H new ATOM 0 HZ2 LYS A 28 1.492 11.647 -7.846 1.00 2.44 H new ATOM 0 HZ3 LYS A 28 2.765 11.153 -6.837 1.00 2.44 H new ATOM 550 N LYS A 29 3.410 16.566 -3.906 1.00 0.55 N ATOM 551 CA LYS A 29 3.463 17.899 -4.499 1.00 0.62 C ATOM 552 C LYS A 29 4.839 18.534 -4.342 1.00 0.64 C ATOM 553 O LYS A 29 5.196 19.450 -5.086 1.00 0.72 O ATOM 554 CB LYS A 29 2.391 18.805 -3.887 1.00 0.62 C ATOM 555 CG LYS A 29 0.975 18.491 -4.355 1.00 1.13 C ATOM 556 CD LYS A 29 0.811 18.738 -5.849 1.00 1.57 C ATOM 557 CE LYS A 29 -0.644 18.626 -6.286 1.00 2.08 C ATOM 558 NZ LYS A 29 -1.190 17.261 -6.080 1.00 2.69 N ATOM 0 H LYS A 29 2.908 16.515 -3.019 1.00 0.55 H new ATOM 0 HA LYS A 29 3.267 17.787 -5.565 1.00 0.62 H new ATOM 0 HB2 LYS A 29 2.432 18.717 -2.801 1.00 0.62 H new ATOM 0 HB3 LYS A 29 2.622 19.842 -4.132 1.00 0.62 H new ATOM 0 HG2 LYS A 29 0.739 17.451 -4.129 1.00 1.13 H new ATOM 0 HG3 LYS A 29 0.264 19.106 -3.804 1.00 1.13 H new ATOM 0 HD2 LYS A 29 1.189 19.730 -6.097 1.00 1.57 H new ATOM 0 HD3 LYS A 29 1.413 18.019 -6.404 1.00 1.57 H new ATOM 0 HE2 LYS A 29 -1.245 19.344 -5.728 1.00 2.08 H new ATOM 0 HE3 LYS A 29 -0.726 18.893 -7.340 1.00 2.08 H new ATOM 0 HZ1 LYS A 29 -2.165 17.220 -6.438 1.00 2.69 H new ATOM 0 HZ2 LYS A 29 -0.603 16.572 -6.592 1.00 2.69 H new ATOM 0 HZ3 LYS A 29 -1.184 17.034 -5.065 1.00 2.69 H new ATOM 572 N ASP A 30 5.613 18.047 -3.386 1.00 0.62 N ATOM 573 CA ASP A 30 6.940 18.598 -3.137 1.00 0.66 C ATOM 574 C ASP A 30 7.992 17.886 -3.990 1.00 0.65 C ATOM 575 O ASP A 30 9.160 18.265 -4.039 1.00 0.69 O ATOM 576 CB ASP A 30 7.280 18.495 -1.642 1.00 0.67 C ATOM 577 CG ASP A 30 8.639 19.058 -1.290 1.00 1.33 C ATOM 578 OD1 ASP A 30 8.745 20.286 -1.104 1.00 1.32 O ATOM 579 OD2 ASP A 30 9.604 18.272 -1.187 1.00 2.14 O ATOM 0 H ASP A 30 5.350 17.276 -2.772 1.00 0.62 H new ATOM 0 HA ASP A 30 6.941 19.651 -3.420 1.00 0.66 H new ATOM 0 HB2 ASP A 30 6.518 19.022 -1.068 1.00 0.67 H new ATOM 0 HB3 ASP A 30 7.240 17.448 -1.340 1.00 0.67 H new ATOM 584 N GLY A 31 7.523 16.867 -4.702 1.00 0.62 N ATOM 585 CA GLY A 31 8.373 16.176 -5.647 1.00 0.62 C ATOM 586 C GLY A 31 9.065 14.987 -5.035 1.00 0.61 C ATOM 587 O GLY A 31 10.102 14.540 -5.524 1.00 0.63 O ATOM 0 H GLY A 31 6.570 16.509 -4.640 1.00 0.62 H new ATOM 0 HA2 GLY A 31 7.775 15.847 -6.497 1.00 0.62 H new ATOM 0 HA3 GLY A 31 9.121 16.869 -6.033 1.00 0.62 H new ATOM 591 N LYS A 32 8.496 14.482 -3.954 1.00 0.59 N ATOM 592 CA LYS A 32 8.968 13.251 -3.366 1.00 0.58 C ATOM 593 C LYS A 32 8.633 12.102 -4.305 1.00 0.56 C ATOM 594 O LYS A 32 7.589 12.106 -4.964 1.00 0.55 O ATOM 595 CB LYS A 32 8.343 13.038 -1.990 1.00 0.57 C ATOM 596 CG LYS A 32 8.789 14.063 -0.953 1.00 0.63 C ATOM 597 CD LYS A 32 10.250 13.887 -0.580 1.00 0.76 C ATOM 598 CE LYS A 32 10.678 14.855 0.513 1.00 1.15 C ATOM 599 NZ LYS A 32 10.855 16.243 0.012 1.00 1.65 N ATOM 0 H LYS A 32 7.707 14.909 -3.469 1.00 0.59 H new ATOM 0 HA LYS A 32 10.048 13.299 -3.227 1.00 0.58 H new ATOM 0 HB2 LYS A 32 7.258 13.076 -2.083 1.00 0.57 H new ATOM 0 HB3 LYS A 32 8.598 12.039 -1.635 1.00 0.57 H new ATOM 0 HG2 LYS A 32 8.632 15.068 -1.344 1.00 0.63 H new ATOM 0 HG3 LYS A 32 8.172 13.969 -0.060 1.00 0.63 H new ATOM 0 HD2 LYS A 32 10.418 12.864 -0.245 1.00 0.76 H new ATOM 0 HD3 LYS A 32 10.871 14.039 -1.463 1.00 0.76 H new ATOM 0 HE2 LYS A 32 9.932 14.852 1.308 1.00 1.15 H new ATOM 0 HE3 LYS A 32 11.614 14.510 0.953 1.00 1.15 H new ATOM 0 HZ1 LYS A 32 11.130 16.864 0.800 1.00 1.65 H new ATOM 0 HZ2 LYS A 32 11.598 16.257 -0.716 1.00 1.65 H new ATOM 0 HZ3 LYS A 32 9.961 16.580 -0.399 1.00 1.65 H new ATOM 613 N ALA A 33 9.517 11.133 -4.363 1.00 0.56 N ATOM 614 CA ALA A 33 9.366 10.008 -5.277 1.00 0.55 C ATOM 615 C ALA A 33 8.253 9.080 -4.817 1.00 0.52 C ATOM 616 O ALA A 33 7.882 9.087 -3.641 1.00 0.50 O ATOM 617 CB ALA A 33 10.672 9.239 -5.402 1.00 0.59 C ATOM 0 H ALA A 33 10.357 11.095 -3.786 1.00 0.56 H new ATOM 0 HA ALA A 33 9.100 10.406 -6.256 1.00 0.55 H new ATOM 0 HB1 ALA A 33 10.538 8.403 -6.089 1.00 0.59 H new ATOM 0 HB2 ALA A 33 11.449 9.901 -5.784 1.00 0.59 H new ATOM 0 HB3 ALA A 33 10.967 8.861 -4.423 1.00 0.59 H new ATOM 623 N LYS A 34 7.719 8.274 -5.730 1.00 0.53 N ATOM 624 CA LYS A 34 6.670 7.324 -5.373 1.00 0.51 C ATOM 625 C LYS A 34 7.186 6.387 -4.291 1.00 0.51 C ATOM 626 O LYS A 34 6.460 6.036 -3.364 1.00 0.48 O ATOM 627 CB LYS A 34 6.219 6.511 -6.592 1.00 0.56 C ATOM 628 CG LYS A 34 5.816 7.354 -7.790 1.00 1.21 C ATOM 629 CD LYS A 34 5.351 6.483 -8.947 1.00 1.64 C ATOM 630 CE LYS A 34 5.183 7.289 -10.225 1.00 2.21 C ATOM 631 NZ LYS A 34 6.483 7.807 -10.728 1.00 2.97 N ATOM 0 H LYS A 34 7.992 8.259 -6.713 1.00 0.53 H new ATOM 0 HA LYS A 34 5.810 7.882 -5.003 1.00 0.51 H new ATOM 0 HB2 LYS A 34 7.028 5.843 -6.888 1.00 0.56 H new ATOM 0 HB3 LYS A 34 5.376 5.883 -6.304 1.00 0.56 H new ATOM 0 HG2 LYS A 34 5.018 8.039 -7.504 1.00 1.21 H new ATOM 0 HG3 LYS A 34 6.661 7.965 -8.108 1.00 1.21 H new ATOM 0 HD2 LYS A 34 6.073 5.683 -9.113 1.00 1.64 H new ATOM 0 HD3 LYS A 34 4.404 6.009 -8.688 1.00 1.64 H new ATOM 0 HE2 LYS A 34 4.720 6.665 -10.990 1.00 2.21 H new ATOM 0 HE3 LYS A 34 4.506 8.123 -10.042 1.00 2.21 H new ATOM 0 HZ1 LYS A 34 6.385 8.078 -11.727 1.00 2.97 H new ATOM 0 HZ2 LYS A 34 6.765 8.638 -10.170 1.00 2.97 H new ATOM 0 HZ3 LYS A 34 7.209 7.068 -10.639 1.00 2.97 H new ATOM 645 N LYS A 35 8.451 6.013 -4.403 1.00 0.54 N ATOM 646 CA LYS A 35 9.089 5.128 -3.436 1.00 0.56 C ATOM 647 C LYS A 35 9.086 5.741 -2.028 1.00 0.53 C ATOM 648 O LYS A 35 9.233 5.031 -1.036 1.00 0.55 O ATOM 649 CB LYS A 35 10.528 4.844 -3.873 1.00 0.61 C ATOM 650 CG LYS A 35 11.186 3.693 -3.127 1.00 1.17 C ATOM 651 CD LYS A 35 10.643 2.340 -3.567 1.00 1.56 C ATOM 652 CE LYS A 35 10.985 2.043 -5.022 1.00 2.18 C ATOM 653 NZ LYS A 35 12.453 2.051 -5.263 1.00 2.82 N ATOM 0 H LYS A 35 9.063 6.312 -5.162 1.00 0.54 H new ATOM 0 HA LYS A 35 8.522 4.198 -3.400 1.00 0.56 H new ATOM 0 HB2 LYS A 35 10.536 4.623 -4.940 1.00 0.61 H new ATOM 0 HB3 LYS A 35 11.125 5.745 -3.730 1.00 0.61 H new ATOM 0 HG2 LYS A 35 12.263 3.722 -3.293 1.00 1.17 H new ATOM 0 HG3 LYS A 35 11.025 3.817 -2.056 1.00 1.17 H new ATOM 0 HD2 LYS A 35 11.054 1.558 -2.929 1.00 1.56 H new ATOM 0 HD3 LYS A 35 9.561 2.322 -3.436 1.00 1.56 H new ATOM 0 HE2 LYS A 35 10.578 1.071 -5.299 1.00 2.18 H new ATOM 0 HE3 LYS A 35 10.508 2.783 -5.665 1.00 2.18 H new ATOM 0 HZ1 LYS A 35 12.658 1.589 -6.172 1.00 2.82 H new ATOM 0 HZ2 LYS A 35 12.795 3.033 -5.289 1.00 2.82 H new ATOM 0 HZ3 LYS A 35 12.933 1.537 -4.497 1.00 2.82 H new ATOM 667 N GLU A 36 8.923 7.061 -1.937 1.00 0.51 N ATOM 668 CA GLU A 36 8.932 7.757 -0.656 1.00 0.50 C ATOM 669 C GLU A 36 7.517 7.859 -0.080 1.00 0.44 C ATOM 670 O GLU A 36 7.292 7.893 1.128 1.00 0.45 O ATOM 671 CB GLU A 36 9.553 9.142 -0.823 1.00 0.53 C ATOM 672 CG GLU A 36 10.899 9.085 -1.519 1.00 0.61 C ATOM 673 CD GLU A 36 11.616 10.419 -1.552 1.00 0.68 C ATOM 674 OE1 GLU A 36 12.387 10.707 -0.613 1.00 0.85 O ATOM 675 OE2 GLU A 36 11.429 11.175 -2.520 1.00 0.66 O ATOM 0 H GLU A 36 8.782 7.671 -2.743 1.00 0.51 H new ATOM 0 HA GLU A 36 9.535 7.185 0.049 1.00 0.50 H new ATOM 0 HB2 GLU A 36 8.876 9.775 -1.396 1.00 0.53 H new ATOM 0 HB3 GLU A 36 9.671 9.606 0.156 1.00 0.53 H new ATOM 0 HG2 GLU A 36 11.530 8.354 -1.014 1.00 0.61 H new ATOM 0 HG3 GLU A 36 10.757 8.732 -2.540 1.00 0.61 H new ATOM 682 N LEU A 37 6.581 7.857 -1.024 1.00 0.39 N ATOM 683 CA LEU A 37 5.166 7.764 -0.685 1.00 0.36 C ATOM 684 C LEU A 37 4.833 6.345 -0.250 1.00 0.36 C ATOM 685 O LEU A 37 4.108 6.131 0.721 1.00 0.35 O ATOM 686 CB LEU A 37 4.319 8.172 -1.888 1.00 0.37 C ATOM 687 CG LEU A 37 4.537 9.609 -2.355 1.00 0.41 C ATOM 688 CD1 LEU A 37 3.937 9.815 -3.731 1.00 1.22 C ATOM 689 CD2 LEU A 37 3.930 10.585 -1.363 1.00 1.01 C ATOM 0 H LEU A 37 6.775 7.918 -2.023 1.00 0.39 H new ATOM 0 HA LEU A 37 4.945 8.441 0.141 1.00 0.36 H new ATOM 0 HB2 LEU A 37 4.537 7.497 -2.716 1.00 0.37 H new ATOM 0 HB3 LEU A 37 3.266 8.040 -1.637 1.00 0.37 H new ATOM 0 HG LEU A 37 5.609 9.795 -2.413 1.00 0.41 H new ATOM 0 HD11 LEU A 37 4.101 10.845 -4.049 1.00 1.22 H new ATOM 0 HD12 LEU A 37 4.411 9.136 -4.440 1.00 1.22 H new ATOM 0 HD13 LEU A 37 2.867 9.613 -3.695 1.00 1.22 H new ATOM 0 HD21 LEU A 37 4.094 11.605 -1.710 1.00 1.01 H new ATOM 0 HD22 LEU A 37 2.860 10.398 -1.277 1.00 1.01 H new ATOM 0 HD23 LEU A 37 4.400 10.453 -0.389 1.00 1.01 H new ATOM 701 N GLU A 38 5.410 5.387 -0.963 1.00 0.39 N ATOM 702 CA GLU A 38 5.286 3.974 -0.632 1.00 0.43 C ATOM 703 C GLU A 38 5.979 3.693 0.701 1.00 0.43 C ATOM 704 O GLU A 38 5.742 2.681 1.346 1.00 0.45 O ATOM 705 CB GLU A 38 5.894 3.118 -1.742 1.00 0.57 C ATOM 706 CG GLU A 38 5.428 1.673 -1.721 1.00 1.35 C ATOM 707 CD GLU A 38 3.926 1.547 -1.868 1.00 2.06 C ATOM 708 OE1 GLU A 38 3.419 1.742 -2.995 1.00 2.49 O ATOM 709 OE2 GLU A 38 3.248 1.255 -0.860 1.00 2.72 O ATOM 0 H GLU A 38 5.979 5.569 -1.790 1.00 0.39 H new ATOM 0 HA GLU A 38 4.230 3.719 -0.540 1.00 0.43 H new ATOM 0 HB2 GLU A 38 5.643 3.558 -2.707 1.00 0.57 H new ATOM 0 HB3 GLU A 38 6.980 3.142 -1.654 1.00 0.57 H new ATOM 0 HG2 GLU A 38 5.916 1.125 -2.527 1.00 1.35 H new ATOM 0 HG3 GLU A 38 5.739 1.208 -0.786 1.00 1.35 H new ATOM 716 N ALA A 39 6.813 4.630 1.120 1.00 0.43 N ATOM 717 CA ALA A 39 7.561 4.503 2.356 1.00 0.45 C ATOM 718 C ALA A 39 6.822 5.080 3.553 1.00 0.42 C ATOM 719 O ALA A 39 6.786 4.483 4.630 1.00 0.44 O ATOM 720 CB ALA A 39 8.927 5.157 2.218 1.00 0.49 C ATOM 0 H ALA A 39 6.989 5.497 0.613 1.00 0.43 H new ATOM 0 HA ALA A 39 7.684 3.436 2.541 1.00 0.45 H new ATOM 0 HB1 ALA A 39 9.476 5.053 3.154 1.00 0.49 H new ATOM 0 HB2 ALA A 39 9.483 4.672 1.415 1.00 0.49 H new ATOM 0 HB3 ALA A 39 8.802 6.215 1.986 1.00 0.49 H new ATOM 726 N LYS A 40 6.232 6.249 3.338 1.00 0.39 N ATOM 727 CA LYS A 40 5.417 6.915 4.343 1.00 0.37 C ATOM 728 C LYS A 40 4.262 6.027 4.794 1.00 0.31 C ATOM 729 O LYS A 40 4.047 5.836 5.993 1.00 0.31 O ATOM 730 CB LYS A 40 4.880 8.227 3.770 1.00 0.41 C ATOM 731 CG LYS A 40 4.062 9.032 4.760 1.00 0.79 C ATOM 732 CD LYS A 40 4.904 9.527 5.923 1.00 0.64 C ATOM 733 CE LYS A 40 5.822 10.665 5.510 1.00 0.74 C ATOM 734 NZ LYS A 40 6.411 11.345 6.690 1.00 1.34 N ATOM 0 H LYS A 40 6.306 6.762 2.460 1.00 0.39 H new ATOM 0 HA LYS A 40 6.038 7.121 5.215 1.00 0.37 H new ATOM 0 HB2 LYS A 40 5.718 8.833 3.426 1.00 0.41 H new ATOM 0 HB3 LYS A 40 4.265 8.008 2.897 1.00 0.41 H new ATOM 0 HG2 LYS A 40 3.611 9.884 4.250 1.00 0.79 H new ATOM 0 HG3 LYS A 40 3.245 8.418 5.139 1.00 0.79 H new ATOM 0 HD2 LYS A 40 4.250 9.861 6.729 1.00 0.64 H new ATOM 0 HD3 LYS A 40 5.500 8.704 6.317 1.00 0.64 H new ATOM 0 HE2 LYS A 40 6.620 10.278 4.876 1.00 0.74 H new ATOM 0 HE3 LYS A 40 5.263 11.387 4.914 1.00 0.74 H new ATOM 0 HZ1 LYS A 40 7.201 11.948 6.385 1.00 1.34 H new ATOM 0 HZ2 LYS A 40 5.686 11.931 7.151 1.00 1.34 H new ATOM 0 HZ3 LYS A 40 6.759 10.633 7.363 1.00 1.34 H new ATOM 748 N ILE A 41 3.526 5.483 3.829 1.00 0.29 N ATOM 749 CA ILE A 41 2.396 4.620 4.122 1.00 0.26 C ATOM 750 C ILE A 41 2.836 3.386 4.896 1.00 0.27 C ATOM 751 O ILE A 41 2.215 3.014 5.886 1.00 0.27 O ATOM 752 CB ILE A 41 1.692 4.189 2.824 1.00 0.29 C ATOM 753 CG1 ILE A 41 1.195 5.421 2.071 1.00 0.33 C ATOM 754 CG2 ILE A 41 0.540 3.245 3.126 1.00 0.33 C ATOM 755 CD1 ILE A 41 0.640 5.109 0.705 1.00 0.39 C ATOM 0 H ILE A 41 3.697 5.628 2.834 1.00 0.29 H new ATOM 0 HA ILE A 41 1.698 5.188 4.737 1.00 0.26 H new ATOM 0 HB ILE A 41 2.407 3.657 2.196 1.00 0.29 H new ATOM 0 HG12 ILE A 41 0.424 5.912 2.664 1.00 0.33 H new ATOM 0 HG13 ILE A 41 2.017 6.129 1.967 1.00 0.33 H new ATOM 0 HG21 ILE A 41 0.056 2.952 2.194 1.00 0.33 H new ATOM 0 HG22 ILE A 41 0.920 2.357 3.632 1.00 0.33 H new ATOM 0 HG23 ILE A 41 -0.183 3.747 3.769 1.00 0.33 H new ATOM 0 HD11 ILE A 41 0.306 6.031 0.229 1.00 0.39 H new ATOM 0 HD12 ILE A 41 1.415 4.645 0.095 1.00 0.39 H new ATOM 0 HD13 ILE A 41 -0.203 4.425 0.802 1.00 0.39 H new ATOM 767 N LEU A 42 3.921 2.766 4.449 1.00 0.31 N ATOM 768 CA LEU A 42 4.442 1.573 5.102 1.00 0.35 C ATOM 769 C LEU A 42 4.933 1.865 6.513 1.00 0.35 C ATOM 770 O LEU A 42 4.887 1.002 7.390 1.00 0.38 O ATOM 771 CB LEU A 42 5.605 0.977 4.311 1.00 0.39 C ATOM 772 CG LEU A 42 5.255 0.348 2.968 1.00 0.40 C ATOM 773 CD1 LEU A 42 6.483 -0.328 2.390 1.00 0.45 C ATOM 774 CD2 LEU A 42 4.108 -0.645 3.104 1.00 0.40 C ATOM 0 H LEU A 42 4.457 3.070 3.636 1.00 0.31 H new ATOM 0 HA LEU A 42 3.614 0.865 5.147 1.00 0.35 H new ATOM 0 HB2 LEU A 42 6.341 1.763 4.140 1.00 0.39 H new ATOM 0 HB3 LEU A 42 6.086 0.219 4.929 1.00 0.39 H new ATOM 0 HG LEU A 42 4.926 1.136 2.290 1.00 0.40 H new ATOM 0 HD11 LEU A 42 6.232 -0.778 1.429 1.00 0.45 H new ATOM 0 HD12 LEU A 42 7.273 0.410 2.250 1.00 0.45 H new ATOM 0 HD13 LEU A 42 6.828 -1.103 3.075 1.00 0.45 H new ATOM 0 HD21 LEU A 42 3.882 -1.076 2.129 1.00 0.40 H new ATOM 0 HD22 LEU A 42 4.394 -1.439 3.794 1.00 0.40 H new ATOM 0 HD23 LEU A 42 3.226 -0.132 3.487 1.00 0.40 H new ATOM 786 N HIS A 43 5.389 3.092 6.726 1.00 0.35 N ATOM 787 CA HIS A 43 5.781 3.537 8.055 1.00 0.37 C ATOM 788 C HIS A 43 4.545 3.625 8.953 1.00 0.35 C ATOM 789 O HIS A 43 4.544 3.095 10.065 1.00 0.40 O ATOM 790 CB HIS A 43 6.491 4.891 7.987 1.00 0.40 C ATOM 791 CG HIS A 43 7.178 5.277 9.261 1.00 0.49 C ATOM 792 ND1 HIS A 43 6.776 6.333 10.048 1.00 1.17 N ATOM 793 CD2 HIS A 43 8.256 4.741 9.881 1.00 1.23 C ATOM 794 CE1 HIS A 43 7.574 6.430 11.094 1.00 0.93 C ATOM 795 NE2 HIS A 43 8.479 5.478 11.016 1.00 0.92 N ATOM 0 H HIS A 43 5.496 3.796 5.996 1.00 0.35 H new ATOM 0 HA HIS A 43 6.478 2.813 8.477 1.00 0.37 H new ATOM 0 HB2 HIS A 43 7.226 4.866 7.182 1.00 0.40 H new ATOM 0 HB3 HIS A 43 5.763 5.660 7.730 1.00 0.40 H new ATOM 0 HD2 HIS A 43 8.832 3.892 9.545 1.00 1.23 H new ATOM 0 HE1 HIS A 43 7.497 7.166 11.881 1.00 0.93 H new ATOM 0 HE2 HIS A 43 9.226 5.314 11.691 1.00 0.92 H new ATOM 804 N TYR A 44 3.491 4.284 8.455 1.00 0.30 N ATOM 805 CA TYR A 44 2.206 4.334 9.153 1.00 0.30 C ATOM 806 C TYR A 44 1.695 2.927 9.422 1.00 0.32 C ATOM 807 O TYR A 44 1.211 2.608 10.506 1.00 0.40 O ATOM 808 CB TYR A 44 1.167 5.053 8.302 1.00 0.31 C ATOM 809 CG TYR A 44 1.418 6.521 8.120 1.00 0.35 C ATOM 810 CD1 TYR A 44 1.921 7.291 9.154 1.00 0.42 C ATOM 811 CD2 TYR A 44 1.128 7.139 6.918 1.00 0.40 C ATOM 812 CE1 TYR A 44 2.132 8.641 8.995 1.00 0.52 C ATOM 813 CE2 TYR A 44 1.327 8.489 6.748 1.00 0.50 C ATOM 814 CZ TYR A 44 1.829 9.240 7.790 1.00 0.58 C ATOM 815 OH TYR A 44 2.011 10.594 7.625 1.00 0.68 O ATOM 0 H TYR A 44 3.506 4.790 7.569 1.00 0.30 H new ATOM 0 HA TYR A 44 2.359 4.867 10.092 1.00 0.30 H new ATOM 0 HB2 TYR A 44 1.129 4.580 7.321 1.00 0.31 H new ATOM 0 HB3 TYR A 44 0.186 4.919 8.759 1.00 0.31 H new ATOM 0 HD1 TYR A 44 2.151 6.825 10.101 1.00 0.42 H new ATOM 0 HD2 TYR A 44 0.739 6.552 6.099 1.00 0.40 H new ATOM 0 HE1 TYR A 44 2.532 9.228 9.808 1.00 0.52 H new ATOM 0 HE2 TYR A 44 1.092 8.958 5.804 1.00 0.50 H new ATOM 0 HH TYR A 44 2.843 10.868 8.065 1.00 0.68 H new ATOM 825 N TYR A 45 1.801 2.112 8.391 1.00 0.30 N ATOM 826 CA TYR A 45 1.323 0.745 8.387 1.00 0.33 C ATOM 827 C TYR A 45 1.973 -0.095 9.486 1.00 0.40 C ATOM 828 O TYR A 45 1.293 -0.812 10.221 1.00 0.42 O ATOM 829 CB TYR A 45 1.610 0.162 7.003 1.00 0.35 C ATOM 830 CG TYR A 45 1.334 -1.301 6.850 1.00 0.40 C ATOM 831 CD1 TYR A 45 0.042 -1.795 6.883 1.00 0.41 C ATOM 832 CD2 TYR A 45 2.378 -2.185 6.651 1.00 0.49 C ATOM 833 CE1 TYR A 45 -0.200 -3.140 6.724 1.00 0.46 C ATOM 834 CE2 TYR A 45 2.148 -3.527 6.492 1.00 0.54 C ATOM 835 CZ TYR A 45 0.859 -4.006 6.530 1.00 0.53 C ATOM 836 OH TYR A 45 0.628 -5.353 6.370 1.00 0.58 O ATOM 0 H TYR A 45 2.233 2.390 7.510 1.00 0.30 H new ATOM 0 HA TYR A 45 0.253 0.730 8.595 1.00 0.33 H new ATOM 0 HB2 TYR A 45 1.015 0.705 6.269 1.00 0.35 H new ATOM 0 HB3 TYR A 45 2.657 0.344 6.762 1.00 0.35 H new ATOM 0 HD1 TYR A 45 -0.785 -1.118 7.035 1.00 0.41 H new ATOM 0 HD2 TYR A 45 3.391 -1.812 6.620 1.00 0.49 H new ATOM 0 HE1 TYR A 45 -1.212 -3.517 6.751 1.00 0.46 H new ATOM 0 HE2 TYR A 45 2.975 -4.205 6.338 1.00 0.54 H new ATOM 0 HH TYR A 45 -0.314 -5.548 6.557 1.00 0.58 H new ATOM 846 N ASP A 46 3.281 0.007 9.618 1.00 0.43 N ATOM 847 CA ASP A 46 4.001 -0.866 10.532 1.00 0.51 C ATOM 848 C ASP A 46 3.788 -0.465 11.994 1.00 0.53 C ATOM 849 O ASP A 46 3.988 -1.283 12.892 1.00 0.60 O ATOM 850 CB ASP A 46 5.489 -0.906 10.179 1.00 0.58 C ATOM 851 CG ASP A 46 6.268 -1.905 11.013 1.00 0.90 C ATOM 852 OD1 ASP A 46 6.076 -3.125 10.822 1.00 1.20 O ATOM 853 OD2 ASP A 46 7.090 -1.477 11.846 1.00 1.14 O ATOM 0 H ASP A 46 3.863 0.675 9.113 1.00 0.43 H new ATOM 0 HA ASP A 46 3.594 -1.871 10.417 1.00 0.51 H new ATOM 0 HB2 ASP A 46 5.600 -1.156 9.124 1.00 0.58 H new ATOM 0 HB3 ASP A 46 5.917 0.087 10.318 1.00 0.58 H new ATOM 858 N GLU A 47 3.356 0.768 12.246 1.00 0.49 N ATOM 859 CA GLU A 47 3.116 1.219 13.612 1.00 0.51 C ATOM 860 C GLU A 47 1.626 1.151 13.969 1.00 0.49 C ATOM 861 O GLU A 47 1.190 1.732 14.966 1.00 0.58 O ATOM 862 CB GLU A 47 3.641 2.644 13.797 1.00 0.53 C ATOM 863 CG GLU A 47 3.068 3.655 12.824 1.00 1.21 C ATOM 864 CD GLU A 47 3.720 5.015 12.958 1.00 1.73 C ATOM 865 OE1 GLU A 47 4.799 5.226 12.369 1.00 2.22 O ATOM 866 OE2 GLU A 47 3.168 5.885 13.665 1.00 2.21 O ATOM 0 H GLU A 47 3.166 1.467 11.528 1.00 0.49 H new ATOM 0 HA GLU A 47 3.652 0.551 14.286 1.00 0.51 H new ATOM 0 HB2 GLU A 47 3.420 2.970 14.813 1.00 0.53 H new ATOM 0 HB3 GLU A 47 4.726 2.634 13.695 1.00 0.53 H new ATOM 0 HG2 GLU A 47 3.199 3.290 11.805 1.00 1.21 H new ATOM 0 HG3 GLU A 47 1.995 3.751 12.992 1.00 1.21 H new ATOM 873 N LEU A 48 0.850 0.444 13.147 1.00 0.44 N ATOM 874 CA LEU A 48 -0.588 0.324 13.330 1.00 0.46 C ATOM 875 C LEU A 48 -0.968 -0.475 14.586 1.00 0.69 C ATOM 876 O LEU A 48 -0.147 -0.727 15.466 1.00 1.11 O ATOM 877 CB LEU A 48 -1.174 -0.314 12.063 1.00 0.37 C ATOM 878 CG LEU A 48 -1.320 0.633 10.878 1.00 0.36 C ATOM 879 CD1 LEU A 48 -1.823 -0.120 9.664 1.00 0.44 C ATOM 880 CD2 LEU A 48 -2.264 1.768 11.226 1.00 0.47 C ATOM 0 H LEU A 48 1.206 -0.061 12.335 1.00 0.44 H new ATOM 0 HA LEU A 48 -1.007 1.318 13.486 1.00 0.46 H new ATOM 0 HB2 LEU A 48 -0.539 -1.149 11.767 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -2.154 -0.728 12.302 1.00 0.37 H new ATOM 0 HG LEU A 48 -0.342 1.055 10.644 1.00 0.36 H new ATOM 0 HD11 LEU A 48 -1.923 0.568 8.825 1.00 0.44 H new ATOM 0 HD12 LEU A 48 -1.115 -0.908 9.405 1.00 0.44 H new ATOM 0 HD13 LEU A 48 -2.793 -0.563 9.887 1.00 0.44 H new ATOM 0 HD21 LEU A 48 -2.359 2.437 10.371 1.00 0.47 H new ATOM 0 HD22 LEU A 48 -3.243 1.362 11.480 1.00 0.47 H new ATOM 0 HD23 LEU A 48 -1.869 2.322 12.078 1.00 0.47 H new ATOM 892 N GLU A 49 -2.224 -0.880 14.622 1.00 0.61 N ATOM 893 CA GLU A 49 -2.831 -1.528 15.780 1.00 0.86 C ATOM 894 C GLU A 49 -3.462 -2.846 15.343 1.00 0.61 C ATOM 895 O GLU A 49 -3.340 -3.214 14.185 1.00 1.16 O ATOM 896 CB GLU A 49 -3.894 -0.616 16.399 1.00 1.42 C ATOM 897 CG GLU A 49 -3.340 0.668 16.995 1.00 1.33 C ATOM 898 CD GLU A 49 -2.449 0.412 18.193 1.00 2.01 C ATOM 899 OE1 GLU A 49 -2.963 -0.071 19.226 1.00 2.19 O ATOM 900 OE2 GLU A 49 -1.239 0.701 18.111 1.00 2.83 O ATOM 0 H GLU A 49 -2.865 -0.768 13.837 1.00 0.61 H new ATOM 0 HA GLU A 49 -2.064 -1.723 16.529 1.00 0.86 H new ATOM 0 HB2 GLU A 49 -4.629 -0.362 15.635 1.00 1.42 H new ATOM 0 HB3 GLU A 49 -4.421 -1.167 17.178 1.00 1.42 H new ATOM 0 HG2 GLU A 49 -2.774 1.204 16.233 1.00 1.33 H new ATOM 0 HG3 GLU A 49 -4.167 1.314 17.292 1.00 1.33 H new ATOM 907 N GLY A 50 -4.152 -3.530 16.253 1.00 0.74 N ATOM 908 CA GLY A 50 -4.743 -4.832 15.942 1.00 0.61 C ATOM 909 C GLY A 50 -5.632 -4.828 14.704 1.00 0.54 C ATOM 910 O GLY A 50 -5.218 -5.280 13.633 1.00 0.54 O ATOM 0 H GLY A 50 -4.316 -3.208 17.207 1.00 0.74 H new ATOM 0 HA2 GLY A 50 -3.943 -5.558 15.800 1.00 0.61 H new ATOM 0 HA3 GLY A 50 -5.330 -5.167 16.797 1.00 0.61 H new ATOM 914 N ASP A 51 -6.851 -4.321 14.844 1.00 0.54 N ATOM 915 CA ASP A 51 -7.788 -4.247 13.719 1.00 0.52 C ATOM 916 C ASP A 51 -7.310 -3.227 12.704 1.00 0.46 C ATOM 917 O ASP A 51 -7.591 -3.363 11.518 1.00 0.46 O ATOM 918 CB ASP A 51 -9.198 -3.887 14.195 1.00 0.58 C ATOM 919 CG ASP A 51 -9.969 -5.076 14.732 1.00 1.53 C ATOM 920 OD1 ASP A 51 -9.653 -5.547 15.847 1.00 2.06 O ATOM 921 OD2 ASP A 51 -10.916 -5.530 14.055 1.00 2.37 O ATOM 0 H ASP A 51 -7.218 -3.954 15.722 1.00 0.54 H new ATOM 0 HA ASP A 51 -7.826 -5.230 13.250 1.00 0.52 H new ATOM 0 HB2 ASP A 51 -9.129 -3.126 14.972 1.00 0.58 H new ATOM 0 HB3 ASP A 51 -9.753 -3.447 13.366 1.00 0.58 H new ATOM 926 N ALA A 52 -6.575 -2.220 13.154 1.00 0.43 N ATOM 927 CA ALA A 52 -6.081 -1.197 12.241 1.00 0.41 C ATOM 928 C ALA A 52 -5.156 -1.825 11.209 1.00 0.40 C ATOM 929 O ALA A 52 -5.250 -1.538 10.019 1.00 0.40 O ATOM 930 CB ALA A 52 -5.380 -0.085 13.003 1.00 0.42 C ATOM 0 H ALA A 52 -6.310 -2.089 14.130 1.00 0.43 H new ATOM 0 HA ALA A 52 -6.929 -0.753 11.719 1.00 0.41 H new ATOM 0 HB1 ALA A 52 -5.020 0.667 12.300 1.00 0.42 H new ATOM 0 HB2 ALA A 52 -6.080 0.376 13.700 1.00 0.42 H new ATOM 0 HB3 ALA A 52 -4.536 -0.498 13.556 1.00 0.42 H new ATOM 936 N LYS A 53 -4.261 -2.689 11.688 1.00 0.40 N ATOM 937 CA LYS A 53 -3.328 -3.397 10.830 1.00 0.41 C ATOM 938 C LYS A 53 -4.085 -4.228 9.814 1.00 0.41 C ATOM 939 O LYS A 53 -3.891 -4.073 8.615 1.00 0.40 O ATOM 940 CB LYS A 53 -2.436 -4.319 11.664 1.00 0.47 C ATOM 941 CG LYS A 53 -0.952 -3.996 11.607 1.00 0.52 C ATOM 942 CD LYS A 53 -0.368 -4.229 10.225 1.00 0.94 C ATOM 943 CE LYS A 53 1.135 -3.983 10.207 1.00 0.83 C ATOM 944 NZ LYS A 53 1.865 -4.895 11.127 1.00 1.62 N ATOM 0 H LYS A 53 -4.167 -2.913 12.679 1.00 0.40 H new ATOM 0 HA LYS A 53 -2.709 -2.663 10.315 1.00 0.41 H new ATOM 0 HB2 LYS A 53 -2.763 -4.275 12.703 1.00 0.47 H new ATOM 0 HB3 LYS A 53 -2.583 -5.345 11.327 1.00 0.47 H new ATOM 0 HG2 LYS A 53 -0.797 -2.956 11.895 1.00 0.52 H new ATOM 0 HG3 LYS A 53 -0.420 -4.611 12.333 1.00 0.52 H new ATOM 0 HD2 LYS A 53 -0.574 -5.252 9.909 1.00 0.94 H new ATOM 0 HD3 LYS A 53 -0.855 -3.569 9.507 1.00 0.94 H new ATOM 0 HE2 LYS A 53 1.511 -4.116 9.193 1.00 0.83 H new ATOM 0 HE3 LYS A 53 1.336 -2.949 10.488 1.00 0.83 H new ATOM 0 HZ1 LYS A 53 2.880 -4.874 10.903 1.00 1.62 H new ATOM 0 HZ2 LYS A 53 1.721 -4.585 12.109 1.00 1.62 H new ATOM 0 HZ3 LYS A 53 1.505 -5.864 11.013 1.00 1.62 H new ATOM 958 N LYS A 54 -4.947 -5.109 10.317 1.00 0.44 N ATOM 959 CA LYS A 54 -5.735 -5.989 9.464 1.00 0.47 C ATOM 960 C LYS A 54 -6.506 -5.186 8.420 1.00 0.44 C ATOM 961 O LYS A 54 -6.471 -5.509 7.236 1.00 0.46 O ATOM 962 CB LYS A 54 -6.671 -6.862 10.303 1.00 0.52 C ATOM 963 CG LYS A 54 -8.142 -6.498 10.210 1.00 0.99 C ATOM 964 CD LYS A 54 -8.991 -7.636 10.723 1.00 0.97 C ATOM 965 CE LYS A 54 -10.480 -7.350 10.594 1.00 1.74 C ATOM 966 NZ LYS A 54 -10.914 -7.245 9.175 1.00 2.49 N ATOM 0 H LYS A 54 -5.116 -5.231 11.315 1.00 0.44 H new ATOM 0 HA LYS A 54 -5.053 -6.652 8.932 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -6.549 -7.900 9.995 1.00 0.52 H new ATOM 0 HB3 LYS A 54 -6.362 -6.801 11.347 1.00 0.52 H new ATOM 0 HG2 LYS A 54 -8.339 -5.597 10.790 1.00 0.99 H new ATOM 0 HG3 LYS A 54 -8.405 -6.275 9.176 1.00 0.99 H new ATOM 0 HD2 LYS A 54 -8.749 -8.544 10.171 1.00 0.97 H new ATOM 0 HD3 LYS A 54 -8.749 -7.824 11.769 1.00 0.97 H new ATOM 0 HE2 LYS A 54 -11.044 -8.142 11.086 1.00 1.74 H new ATOM 0 HE3 LYS A 54 -10.716 -6.421 11.113 1.00 1.74 H new ATOM 0 HZ1 LYS A 54 -11.953 -7.220 9.131 1.00 2.49 H new ATOM 0 HZ2 LYS A 54 -10.528 -6.374 8.757 1.00 2.49 H new ATOM 0 HZ3 LYS A 54 -10.565 -8.068 8.643 1.00 2.49 H new ATOM 980 N GLU A 55 -7.163 -4.116 8.856 1.00 0.42 N ATOM 981 CA GLU A 55 -7.962 -3.300 7.969 1.00 0.41 C ATOM 982 C GLU A 55 -7.093 -2.562 6.975 1.00 0.39 C ATOM 983 O GLU A 55 -7.402 -2.554 5.785 1.00 0.41 O ATOM 984 CB GLU A 55 -8.795 -2.340 8.802 1.00 0.42 C ATOM 985 CG GLU A 55 -9.991 -3.014 9.434 1.00 0.89 C ATOM 986 CD GLU A 55 -10.903 -3.643 8.401 1.00 1.39 C ATOM 987 OE1 GLU A 55 -11.786 -2.936 7.873 1.00 1.34 O ATOM 988 OE2 GLU A 55 -10.756 -4.852 8.123 1.00 2.27 O ATOM 0 H GLU A 55 -7.153 -3.798 9.825 1.00 0.42 H new ATOM 0 HA GLU A 55 -8.628 -3.939 7.389 1.00 0.41 H new ATOM 0 HB2 GLU A 55 -8.171 -1.906 9.583 1.00 0.42 H new ATOM 0 HB3 GLU A 55 -9.135 -1.518 8.172 1.00 0.42 H new ATOM 0 HG2 GLU A 55 -9.649 -3.780 10.130 1.00 0.89 H new ATOM 0 HG3 GLU A 55 -10.553 -2.283 10.016 1.00 0.89 H new ATOM 995 N ALA A 56 -6.017 -1.946 7.430 1.00 0.36 N ATOM 996 CA ALA A 56 -5.131 -1.270 6.509 1.00 0.34 C ATOM 997 C ALA A 56 -4.585 -2.267 5.505 1.00 0.36 C ATOM 998 O ALA A 56 -4.672 -2.053 4.304 1.00 0.37 O ATOM 999 CB ALA A 56 -4.006 -0.564 7.240 1.00 0.31 C ATOM 0 H ALA A 56 -5.742 -1.901 8.411 1.00 0.36 H new ATOM 0 HA ALA A 56 -5.698 -0.505 5.979 1.00 0.34 H new ATOM 0 HB1 ALA A 56 -3.359 -0.066 6.518 1.00 0.31 H new ATOM 0 HB2 ALA A 56 -4.424 0.176 7.923 1.00 0.31 H new ATOM 0 HB3 ALA A 56 -3.426 -1.293 7.805 1.00 0.31 H new ATOM 1005 N THR A 57 -4.053 -3.370 6.010 1.00 0.38 N ATOM 1006 CA THR A 57 -3.492 -4.410 5.168 1.00 0.41 C ATOM 1007 C THR A 57 -4.465 -4.865 4.083 1.00 0.44 C ATOM 1008 O THR A 57 -4.110 -4.984 2.915 1.00 0.45 O ATOM 1009 CB THR A 57 -3.086 -5.641 6.000 1.00 0.45 C ATOM 1010 OG1 THR A 57 -2.168 -5.265 7.026 1.00 0.43 O ATOM 1011 CG2 THR A 57 -2.456 -6.702 5.117 1.00 0.51 C ATOM 0 H THR A 57 -3.999 -3.567 7.009 1.00 0.38 H new ATOM 0 HA THR A 57 -2.614 -3.971 4.695 1.00 0.41 H new ATOM 0 HB THR A 57 -3.986 -6.053 6.457 1.00 0.45 H new ATOM 0 HG1 THR A 57 -2.653 -4.816 7.750 1.00 0.43 H new ATOM 0 HG21 THR A 57 -2.177 -7.563 5.725 1.00 0.51 H new ATOM 0 HG22 THR A 57 -3.171 -7.013 4.355 1.00 0.51 H new ATOM 0 HG23 THR A 57 -1.567 -6.294 4.636 1.00 0.51 H new ATOM 1019 N GLU A 58 -5.715 -5.073 4.503 1.00 0.45 N ATOM 1020 CA GLU A 58 -6.798 -5.450 3.604 1.00 0.49 C ATOM 1021 C GLU A 58 -7.099 -4.337 2.595 1.00 0.48 C ATOM 1022 O GLU A 58 -7.478 -4.617 1.456 1.00 0.53 O ATOM 1023 CB GLU A 58 -8.051 -5.806 4.415 1.00 0.52 C ATOM 1024 CG GLU A 58 -7.938 -7.124 5.164 1.00 0.78 C ATOM 1025 CD GLU A 58 -7.581 -8.292 4.267 1.00 1.14 C ATOM 1026 OE1 GLU A 58 -8.429 -8.704 3.445 1.00 1.37 O ATOM 1027 OE2 GLU A 58 -6.455 -8.817 4.392 1.00 1.71 O ATOM 0 H GLU A 58 -6.001 -4.984 5.478 1.00 0.45 H new ATOM 0 HA GLU A 58 -6.484 -6.327 3.037 1.00 0.49 H new ATOM 0 HB2 GLU A 58 -8.250 -5.008 5.130 1.00 0.52 H new ATOM 0 HB3 GLU A 58 -8.908 -5.852 3.743 1.00 0.52 H new ATOM 0 HG2 GLU A 58 -7.182 -7.028 5.943 1.00 0.78 H new ATOM 0 HG3 GLU A 58 -8.884 -7.333 5.663 1.00 0.78 H new ATOM 1034 N HIS A 59 -6.916 -3.082 2.994 1.00 0.43 N ATOM 1035 CA HIS A 59 -7.156 -1.959 2.095 1.00 0.43 C ATOM 1036 C HIS A 59 -6.060 -1.903 1.049 1.00 0.42 C ATOM 1037 O HIS A 59 -6.329 -1.832 -0.153 1.00 0.44 O ATOM 1038 CB HIS A 59 -7.210 -0.629 2.853 1.00 0.40 C ATOM 1039 CG HIS A 59 -8.509 -0.369 3.550 1.00 0.48 C ATOM 1040 ND1 HIS A 59 -9.716 -0.321 2.891 1.00 0.72 N ATOM 1041 CD2 HIS A 59 -8.786 -0.127 4.853 1.00 0.42 C ATOM 1042 CE1 HIS A 59 -10.676 -0.062 3.757 1.00 0.77 C ATOM 1043 NE2 HIS A 59 -10.139 0.060 4.954 1.00 0.57 N ATOM 0 H HIS A 59 -6.604 -2.818 3.929 1.00 0.43 H new ATOM 0 HA HIS A 59 -8.123 -2.112 1.617 1.00 0.43 H new ATOM 0 HB2 HIS A 59 -6.406 -0.611 3.589 1.00 0.40 H new ATOM 0 HB3 HIS A 59 -7.018 0.183 2.152 1.00 0.40 H new ATOM 0 HD2 HIS A 59 -8.072 -0.089 5.663 1.00 0.42 H new ATOM 0 HE1 HIS A 59 -11.726 0.034 3.524 1.00 0.77 H new ATOM 0 HE2 HIS A 59 -10.648 0.261 5.815 1.00 0.57 H new ATOM 1052 N LEU A 60 -4.823 -1.921 1.524 1.00 0.40 N ATOM 1053 CA LEU A 60 -3.663 -2.007 0.674 1.00 0.40 C ATOM 1054 C LEU A 60 -3.722 -3.232 -0.234 1.00 0.43 C ATOM 1055 O LEU A 60 -3.234 -3.194 -1.361 1.00 0.43 O ATOM 1056 CB LEU A 60 -2.403 -2.032 1.532 1.00 0.39 C ATOM 1057 CG LEU A 60 -1.986 -0.669 2.080 1.00 0.38 C ATOM 1058 CD1 LEU A 60 -3.014 -0.103 3.026 1.00 0.62 C ATOM 1059 CD2 LEU A 60 -0.620 -0.738 2.745 1.00 0.59 C ATOM 0 H LEU A 60 -4.603 -1.876 2.519 1.00 0.40 H new ATOM 0 HA LEU A 60 -3.643 -1.129 0.029 1.00 0.40 H new ATOM 0 HB2 LEU A 60 -2.561 -2.713 2.368 1.00 0.39 H new ATOM 0 HB3 LEU A 60 -1.583 -2.438 0.940 1.00 0.39 H new ATOM 0 HG LEU A 60 -1.917 0.009 1.229 1.00 0.38 H new ATOM 0 HD11 LEU A 60 -2.677 0.867 3.392 1.00 0.62 H new ATOM 0 HD12 LEU A 60 -3.963 0.016 2.503 1.00 0.62 H new ATOM 0 HD13 LEU A 60 -3.147 -0.782 3.868 1.00 0.62 H new ATOM 0 HD21 LEU A 60 -0.350 0.247 3.125 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -0.653 -1.449 3.570 1.00 0.59 H new ATOM 0 HD23 LEU A 60 0.123 -1.062 2.017 1.00 0.59 H new ATOM 1071 N LYS A 61 -4.327 -4.318 0.250 1.00 0.46 N ATOM 1072 CA LYS A 61 -4.498 -5.513 -0.566 1.00 0.50 C ATOM 1073 C LYS A 61 -5.419 -5.231 -1.736 1.00 0.53 C ATOM 1074 O LYS A 61 -5.082 -5.535 -2.873 1.00 0.56 O ATOM 1075 CB LYS A 61 -5.046 -6.684 0.252 1.00 0.51 C ATOM 1076 CG LYS A 61 -3.993 -7.422 1.059 1.00 0.57 C ATOM 1077 CD LYS A 61 -4.619 -8.540 1.872 1.00 0.57 C ATOM 1078 CE LYS A 61 -3.587 -9.296 2.692 1.00 0.59 C ATOM 1079 NZ LYS A 61 -4.230 -10.247 3.635 1.00 0.67 N ATOM 0 H LYS A 61 -4.703 -4.391 1.195 1.00 0.46 H new ATOM 0 HA LYS A 61 -3.513 -5.792 -0.940 1.00 0.50 H new ATOM 0 HB2 LYS A 61 -5.814 -6.312 0.930 1.00 0.51 H new ATOM 0 HB3 LYS A 61 -5.532 -7.389 -0.423 1.00 0.51 H new ATOM 0 HG2 LYS A 61 -3.238 -7.833 0.389 1.00 0.57 H new ATOM 0 HG3 LYS A 61 -3.484 -6.725 1.724 1.00 0.57 H new ATOM 0 HD2 LYS A 61 -5.376 -8.124 2.537 1.00 0.57 H new ATOM 0 HD3 LYS A 61 -5.128 -9.233 1.203 1.00 0.57 H new ATOM 0 HE2 LYS A 61 -2.918 -9.840 2.025 1.00 0.59 H new ATOM 0 HE3 LYS A 61 -2.974 -8.588 3.250 1.00 0.59 H new ATOM 0 HZ1 LYS A 61 -3.615 -10.385 4.462 1.00 0.67 H new ATOM 0 HZ2 LYS A 61 -5.146 -9.863 3.944 1.00 0.67 H new ATOM 0 HZ3 LYS A 61 -4.380 -11.160 3.159 1.00 0.67 H new ATOM 1093 N GLY A 62 -6.599 -4.675 -1.461 1.00 0.53 N ATOM 1094 CA GLY A 62 -7.500 -4.261 -2.521 1.00 0.56 C ATOM 1095 C GLY A 62 -6.839 -3.280 -3.470 1.00 0.55 C ATOM 1096 O GLY A 62 -7.077 -3.316 -4.674 1.00 0.59 O ATOM 0 H GLY A 62 -6.946 -4.504 -0.517 1.00 0.53 H new ATOM 0 HA2 GLY A 62 -7.833 -5.137 -3.078 1.00 0.56 H new ATOM 0 HA3 GLY A 62 -8.388 -3.803 -2.085 1.00 0.56 H new ATOM 1100 N GLY A 63 -6.009 -2.395 -2.922 1.00 0.50 N ATOM 1101 CA GLY A 63 -5.207 -1.512 -3.750 1.00 0.49 C ATOM 1102 C GLY A 63 -4.276 -2.294 -4.650 1.00 0.49 C ATOM 1103 O GLY A 63 -4.174 -2.031 -5.848 1.00 0.50 O ATOM 0 H GLY A 63 -5.878 -2.274 -1.918 1.00 0.50 H new ATOM 0 HA2 GLY A 63 -5.861 -0.886 -4.357 1.00 0.49 H new ATOM 0 HA3 GLY A 63 -4.625 -0.844 -3.115 1.00 0.49 H new ATOM 1107 N CYS A 64 -3.614 -3.274 -4.061 1.00 0.51 N ATOM 1108 CA CYS A 64 -2.737 -4.177 -4.791 1.00 0.55 C ATOM 1109 C CYS A 64 -3.534 -4.992 -5.807 1.00 0.56 C ATOM 1110 O CYS A 64 -3.021 -5.390 -6.852 1.00 0.56 O ATOM 1111 CB CYS A 64 -2.039 -5.113 -3.804 1.00 0.68 C ATOM 1112 SG CYS A 64 -0.886 -6.289 -4.576 1.00 1.13 S ATOM 0 H CYS A 64 -3.668 -3.468 -3.061 1.00 0.51 H new ATOM 0 HA CYS A 64 -1.992 -3.591 -5.329 1.00 0.55 H new ATOM 0 HB2 CYS A 64 -1.494 -4.513 -3.075 1.00 0.68 H new ATOM 0 HB3 CYS A 64 -2.796 -5.672 -3.254 1.00 0.68 H new ATOM 1117 N ARG A 65 -4.798 -5.226 -5.490 1.00 0.62 N ATOM 1118 CA ARG A 65 -5.682 -5.987 -6.353 1.00 0.67 C ATOM 1119 C ARG A 65 -6.019 -5.185 -7.607 1.00 0.65 C ATOM 1120 O ARG A 65 -6.386 -5.750 -8.632 1.00 0.79 O ATOM 1121 CB ARG A 65 -6.958 -6.365 -5.594 1.00 0.76 C ATOM 1122 CG ARG A 65 -7.786 -7.437 -6.282 1.00 0.86 C ATOM 1123 CD ARG A 65 -9.071 -7.729 -5.524 1.00 1.49 C ATOM 1124 NE ARG A 65 -8.823 -8.212 -4.166 1.00 2.07 N ATOM 1125 CZ ARG A 65 -9.791 -8.481 -3.289 1.00 2.91 C ATOM 1126 NH1 ARG A 65 -11.065 -8.318 -3.629 1.00 3.31 N ATOM 1127 NH2 ARG A 65 -9.487 -8.919 -2.073 1.00 3.80 N ATOM 0 H ARG A 65 -5.237 -4.895 -4.631 1.00 0.62 H new ATOM 0 HA ARG A 65 -5.176 -6.902 -6.659 1.00 0.67 H new ATOM 0 HB2 ARG A 65 -6.687 -6.712 -4.597 1.00 0.76 H new ATOM 0 HB3 ARG A 65 -7.571 -5.473 -5.465 1.00 0.76 H new ATOM 0 HG2 ARG A 65 -8.026 -7.116 -7.296 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -7.199 -8.351 -6.368 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -9.676 -6.824 -5.479 1.00 1.49 H new ATOM 0 HD3 ARG A 65 -9.650 -8.473 -6.071 1.00 1.49 H new ATOM 0 HE ARG A 65 -7.856 -8.351 -3.873 1.00 2.07 H new ATOM 0 HH11 ARG A 65 -11.305 -7.986 -4.563 1.00 3.31 H new ATOM 0 HH12 ARG A 65 -11.803 -8.525 -2.956 1.00 3.31 H new ATOM 0 HH21 ARG A 65 -8.511 -9.051 -1.808 1.00 3.80 H new ATOM 0 HH22 ARG A 65 -10.229 -9.124 -1.404 1.00 3.80 H new ATOM 1141 N GLU A 66 -5.893 -3.867 -7.528 1.00 0.55 N ATOM 1142 CA GLU A 66 -6.092 -3.026 -8.694 1.00 0.55 C ATOM 1143 C GLU A 66 -4.772 -2.812 -9.417 1.00 0.48 C ATOM 1144 O GLU A 66 -4.722 -2.814 -10.645 1.00 0.47 O ATOM 1145 CB GLU A 66 -6.713 -1.679 -8.318 1.00 0.62 C ATOM 1146 CG GLU A 66 -8.083 -1.797 -7.672 1.00 0.75 C ATOM 1147 CD GLU A 66 -8.888 -0.519 -7.776 1.00 1.27 C ATOM 1148 OE1 GLU A 66 -8.483 0.502 -7.184 1.00 2.02 O ATOM 1149 OE2 GLU A 66 -9.936 -0.530 -8.458 1.00 1.61 O ATOM 0 H GLU A 66 -5.656 -3.363 -6.674 1.00 0.55 H new ATOM 0 HA GLU A 66 -6.787 -3.538 -9.359 1.00 0.55 H new ATOM 0 HB2 GLU A 66 -6.043 -1.158 -7.635 1.00 0.62 H new ATOM 0 HB3 GLU A 66 -6.795 -1.064 -9.214 1.00 0.62 H new ATOM 0 HG2 GLU A 66 -8.635 -2.609 -8.145 1.00 0.75 H new ATOM 0 HG3 GLU A 66 -7.964 -2.062 -6.622 1.00 0.75 H new ATOM 1156 N ILE A 67 -3.697 -2.634 -8.652 1.00 0.47 N ATOM 1157 CA ILE A 67 -2.397 -2.385 -9.252 1.00 0.47 C ATOM 1158 C ILE A 67 -1.717 -3.669 -9.677 1.00 0.45 C ATOM 1159 O ILE A 67 -1.676 -3.980 -10.857 1.00 0.45 O ATOM 1160 CB ILE A 67 -1.431 -1.653 -8.297 1.00 0.58 C ATOM 1161 CG1 ILE A 67 -2.008 -0.300 -7.875 1.00 0.67 C ATOM 1162 CG2 ILE A 67 -0.063 -1.479 -8.970 1.00 0.60 C ATOM 1163 CD1 ILE A 67 -1.213 0.384 -6.785 1.00 0.81 C ATOM 0 H ILE A 67 -3.703 -2.658 -7.632 1.00 0.47 H new ATOM 0 HA ILE A 67 -2.605 -1.757 -10.118 1.00 0.47 H new ATOM 0 HB ILE A 67 -1.303 -2.255 -7.397 1.00 0.58 H new ATOM 0 HG12 ILE A 67 -2.052 0.354 -8.746 1.00 0.67 H new ATOM 0 HG13 ILE A 67 -3.032 -0.443 -7.531 1.00 0.67 H new ATOM 0 HG21 ILE A 67 0.614 -0.962 -8.290 1.00 0.60 H new ATOM 0 HG22 ILE A 67 0.348 -2.458 -9.216 1.00 0.60 H new ATOM 0 HG23 ILE A 67 -0.178 -0.894 -9.882 1.00 0.60 H new ATOM 0 HD11 ILE A 67 -1.680 1.337 -6.537 1.00 0.81 H new ATOM 0 HD12 ILE A 67 -1.190 -0.250 -5.899 1.00 0.81 H new ATOM 0 HD13 ILE A 67 -0.195 0.559 -7.133 1.00 0.81 H new ATOM 1175 N LEU A 68 -1.234 -4.430 -8.701 1.00 0.61 N ATOM 1176 CA LEU A 68 -0.352 -5.553 -8.975 1.00 0.80 C ATOM 1177 C LEU A 68 -1.084 -6.649 -9.716 1.00 0.82 C ATOM 1178 O LEU A 68 -0.555 -7.207 -10.674 1.00 0.88 O ATOM 1179 CB LEU A 68 0.238 -6.123 -7.686 1.00 1.12 C ATOM 1180 CG LEU A 68 1.348 -7.160 -7.893 1.00 1.34 C ATOM 1181 CD1 LEU A 68 2.665 -6.474 -8.217 1.00 1.58 C ATOM 1182 CD2 LEU A 68 1.492 -8.051 -6.672 1.00 1.71 C ATOM 0 H LEU A 68 -1.440 -4.287 -7.712 1.00 0.61 H new ATOM 0 HA LEU A 68 0.459 -5.178 -9.599 1.00 0.80 H new ATOM 0 HB2 LEU A 68 0.634 -5.301 -7.089 1.00 1.12 H new ATOM 0 HB3 LEU A 68 -0.564 -6.580 -7.106 1.00 1.12 H new ATOM 0 HG LEU A 68 1.072 -7.790 -8.738 1.00 1.34 H new ATOM 0 HD11 LEU A 68 3.441 -7.226 -8.361 1.00 1.58 H new ATOM 0 HD12 LEU A 68 2.555 -5.887 -9.129 1.00 1.58 H new ATOM 0 HD13 LEU A 68 2.945 -5.816 -7.394 1.00 1.58 H new ATOM 0 HD21 LEU A 68 2.286 -8.778 -6.844 1.00 1.71 H new ATOM 0 HD22 LEU A 68 1.741 -7.441 -5.804 1.00 1.71 H new ATOM 0 HD23 LEU A 68 0.553 -8.575 -6.491 1.00 1.71 H new ATOM 1194 N LYS A 69 -2.262 -7.002 -9.207 1.00 0.95 N ATOM 1195 CA LYS A 69 -3.052 -8.021 -9.860 1.00 1.24 C ATOM 1196 C LYS A 69 -3.113 -7.734 -11.360 1.00 1.20 C ATOM 1197 O LYS A 69 -2.457 -8.410 -12.132 1.00 1.61 O ATOM 1198 CB LYS A 69 -4.467 -8.047 -9.273 1.00 1.39 C ATOM 1199 CG LYS A 69 -5.334 -9.174 -9.809 1.00 1.43 C ATOM 1200 CD LYS A 69 -6.805 -8.980 -9.476 1.00 1.50 C ATOM 1201 CE LYS A 69 -7.442 -7.919 -10.359 1.00 1.68 C ATOM 1202 NZ LYS A 69 -8.862 -7.671 -10.001 1.00 2.22 N ATOM 0 H LYS A 69 -2.676 -6.604 -8.364 1.00 0.95 H new ATOM 0 HA LYS A 69 -2.589 -8.994 -9.697 1.00 1.24 H new ATOM 0 HB2 LYS A 69 -4.399 -8.138 -8.189 1.00 1.39 H new ATOM 0 HB3 LYS A 69 -4.955 -7.095 -9.483 1.00 1.39 H new ATOM 0 HG2 LYS A 69 -5.214 -9.238 -10.890 1.00 1.43 H new ATOM 0 HG3 LYS A 69 -4.992 -10.122 -9.393 1.00 1.43 H new ATOM 0 HD2 LYS A 69 -7.335 -9.924 -9.601 1.00 1.50 H new ATOM 0 HD3 LYS A 69 -6.907 -8.693 -8.429 1.00 1.50 H new ATOM 0 HE2 LYS A 69 -6.879 -6.990 -10.271 1.00 1.68 H new ATOM 0 HE3 LYS A 69 -7.381 -8.231 -11.401 1.00 1.68 H new ATOM 0 HZ1 LYS A 69 -9.380 -7.346 -10.842 1.00 2.22 H new ATOM 0 HZ2 LYS A 69 -9.290 -8.551 -9.649 1.00 2.22 H new ATOM 0 HZ3 LYS A 69 -8.911 -6.942 -9.261 1.00 2.22 H new ATOM 1216 N HIS A 70 -3.925 -6.763 -11.762 1.00 1.05 N ATOM 1217 CA HIS A 70 -3.883 -6.176 -13.115 1.00 1.16 C ATOM 1218 C HIS A 70 -2.465 -6.018 -13.719 1.00 0.91 C ATOM 1219 O HIS A 70 -2.299 -6.144 -14.932 1.00 0.89 O ATOM 1220 CB HIS A 70 -4.585 -4.802 -13.047 1.00 1.41 C ATOM 1221 CG HIS A 70 -4.015 -3.720 -13.932 1.00 1.41 C ATOM 1222 ND1 HIS A 70 -4.606 -3.323 -15.107 1.00 1.59 N ATOM 1223 CD2 HIS A 70 -2.916 -2.929 -13.785 1.00 1.49 C ATOM 1224 CE1 HIS A 70 -3.907 -2.343 -15.645 1.00 1.76 C ATOM 1225 NE2 HIS A 70 -2.877 -2.084 -14.863 1.00 1.74 N ATOM 0 H HIS A 70 -4.639 -6.352 -11.161 1.00 1.05 H new ATOM 0 HA HIS A 70 -4.389 -6.872 -13.784 1.00 1.16 H new ATOM 0 HB2 HIS A 70 -5.635 -4.940 -13.307 1.00 1.41 H new ATOM 0 HB3 HIS A 70 -4.555 -4.452 -12.015 1.00 1.41 H new ATOM 0 HD2 HIS A 70 -2.207 -2.962 -12.971 1.00 1.49 H new ATOM 0 HE1 HIS A 70 -4.139 -1.837 -16.571 1.00 1.76 H new ATOM 0 HE2 HIS A 70 -2.167 -1.371 -15.033 1.00 1.74 H new ATOM 1234 N VAL A 71 -1.466 -5.725 -12.901 1.00 0.76 N ATOM 1235 CA VAL A 71 -0.151 -5.356 -13.410 1.00 0.69 C ATOM 1236 C VAL A 71 0.614 -6.560 -13.987 1.00 0.52 C ATOM 1237 O VAL A 71 1.329 -6.424 -14.975 1.00 0.59 O ATOM 1238 CB VAL A 71 0.651 -4.591 -12.332 1.00 0.81 C ATOM 1239 CG1 VAL A 71 1.691 -5.427 -11.639 1.00 1.01 C ATOM 1240 CG2 VAL A 71 1.282 -3.369 -12.925 1.00 1.46 C ATOM 0 H VAL A 71 -1.539 -5.735 -11.884 1.00 0.76 H new ATOM 0 HA VAL A 71 -0.293 -4.678 -14.252 1.00 0.69 H new ATOM 0 HB VAL A 71 -0.070 -4.306 -11.565 1.00 0.81 H new ATOM 0 HG11 VAL A 71 2.211 -4.820 -10.898 1.00 1.01 H new ATOM 0 HG12 VAL A 71 1.209 -6.271 -11.144 1.00 1.01 H new ATOM 0 HG13 VAL A 71 2.408 -5.797 -12.372 1.00 1.01 H new ATOM 0 HG21 VAL A 71 1.844 -2.840 -12.155 1.00 1.46 H new ATOM 0 HG22 VAL A 71 1.956 -3.662 -13.730 1.00 1.46 H new ATOM 0 HG23 VAL A 71 0.506 -2.715 -13.322 1.00 1.46 H new ATOM 1250 N VAL A 72 0.490 -7.722 -13.368 1.00 0.44 N ATOM 1251 CA VAL A 72 0.820 -8.968 -14.060 1.00 0.46 C ATOM 1252 C VAL A 72 -0.399 -9.354 -14.903 1.00 0.47 C ATOM 1253 O VAL A 72 -0.252 -9.986 -15.950 1.00 0.64 O ATOM 1254 CB VAL A 72 1.181 -10.112 -13.079 1.00 0.52 C ATOM 1255 CG1 VAL A 72 -0.033 -10.591 -12.289 1.00 0.74 C ATOM 1256 CG2 VAL A 72 1.843 -11.248 -13.828 1.00 0.80 C ATOM 0 H VAL A 72 0.170 -7.835 -12.406 1.00 0.44 H new ATOM 0 HA VAL A 72 1.702 -8.813 -14.681 1.00 0.46 H new ATOM 0 HB VAL A 72 1.889 -9.721 -12.348 1.00 0.52 H new ATOM 0 HG11 VAL A 72 0.266 -11.393 -11.614 1.00 0.74 H new ATOM 0 HG12 VAL A 72 -0.441 -9.762 -11.710 1.00 0.74 H new ATOM 0 HG13 VAL A 72 -0.793 -10.961 -12.978 1.00 0.74 H new ATOM 0 HG21 VAL A 72 2.093 -12.047 -13.130 1.00 0.80 H new ATOM 0 HG22 VAL A 72 1.161 -11.630 -14.587 1.00 0.80 H new ATOM 0 HG23 VAL A 72 2.753 -10.887 -14.307 1.00 0.80 H new ATOM 1266 N GLY A 73 -1.577 -8.966 -14.478 1.00 0.45 N ATOM 1267 CA GLY A 73 -2.766 -9.258 -15.242 1.00 0.48 C ATOM 1268 C GLY A 73 -3.729 -10.127 -14.472 1.00 0.50 C ATOM 1269 O GLY A 73 -3.346 -10.772 -13.490 1.00 0.55 O ATOM 0 H GLY A 73 -1.738 -8.450 -13.613 1.00 0.45 H new ATOM 0 HA2 GLY A 73 -3.259 -8.326 -15.518 1.00 0.48 H new ATOM 0 HA3 GLY A 73 -2.488 -9.758 -16.170 1.00 0.48 H new ATOM 1273 N GLU A 74 -4.971 -10.164 -14.924 1.00 0.54 N ATOM 1274 CA GLU A 74 -6.005 -10.934 -14.248 1.00 0.58 C ATOM 1275 C GLU A 74 -5.732 -12.429 -14.353 1.00 0.53 C ATOM 1276 O GLU A 74 -6.390 -13.224 -13.699 1.00 0.60 O ATOM 1277 CB GLU A 74 -7.393 -10.622 -14.813 1.00 0.69 C ATOM 1278 CG GLU A 74 -7.895 -9.213 -14.523 1.00 1.45 C ATOM 1279 CD GLU A 74 -7.187 -8.151 -15.336 1.00 1.80 C ATOM 1280 OE1 GLU A 74 -7.311 -8.158 -16.577 1.00 2.31 O ATOM 1281 OE2 GLU A 74 -6.490 -7.307 -14.736 1.00 2.10 O ATOM 0 H GLU A 74 -5.290 -9.670 -15.757 1.00 0.54 H new ATOM 0 HA GLU A 74 -5.985 -10.645 -13.197 1.00 0.58 H new ATOM 0 HB2 GLU A 74 -7.373 -10.771 -15.893 1.00 0.69 H new ATOM 0 HB3 GLU A 74 -8.106 -11.338 -14.405 1.00 0.69 H new ATOM 0 HG2 GLU A 74 -8.965 -9.166 -14.728 1.00 1.45 H new ATOM 0 HG3 GLU A 74 -7.763 -8.998 -13.463 1.00 1.45 H new ATOM 1288 N GLU A 75 -4.772 -12.805 -15.188 1.00 0.54 N ATOM 1289 CA GLU A 75 -4.361 -14.199 -15.292 1.00 0.55 C ATOM 1290 C GLU A 75 -3.594 -14.649 -14.054 1.00 0.53 C ATOM 1291 O GLU A 75 -4.088 -15.440 -13.256 1.00 0.56 O ATOM 1292 CB GLU A 75 -3.526 -14.448 -16.552 1.00 0.58 C ATOM 1293 CG GLU A 75 -2.715 -13.252 -17.002 1.00 0.95 C ATOM 1294 CD GLU A 75 -1.558 -13.634 -17.898 1.00 1.29 C ATOM 1295 OE1 GLU A 75 -0.684 -14.412 -17.455 1.00 2.00 O ATOM 1296 OE2 GLU A 75 -1.514 -13.164 -19.053 1.00 1.31 O ATOM 0 H GLU A 75 -4.265 -12.167 -15.801 1.00 0.54 H new ATOM 0 HA GLU A 75 -5.272 -14.793 -15.365 1.00 0.55 H new ATOM 0 HB2 GLU A 75 -2.850 -15.283 -16.368 1.00 0.58 H new ATOM 0 HB3 GLU A 75 -4.191 -14.748 -17.362 1.00 0.58 H new ATOM 0 HG2 GLU A 75 -3.365 -12.556 -17.532 1.00 0.95 H new ATOM 0 HG3 GLU A 75 -2.333 -12.727 -16.126 1.00 0.95 H new ATOM 1303 N LYS A 76 -2.398 -14.108 -13.889 1.00 0.50 N ATOM 1304 CA LYS A 76 -1.447 -14.604 -12.924 1.00 0.51 C ATOM 1305 C LYS A 76 -1.919 -14.402 -11.505 1.00 0.55 C ATOM 1306 O LYS A 76 -1.951 -15.342 -10.722 1.00 0.57 O ATOM 1307 CB LYS A 76 -0.111 -13.909 -13.142 1.00 0.47 C ATOM 1308 CG LYS A 76 0.636 -14.371 -14.384 1.00 1.16 C ATOM 1309 CD LYS A 76 1.243 -15.751 -14.191 1.00 1.43 C ATOM 1310 CE LYS A 76 0.383 -16.853 -14.768 1.00 0.71 C ATOM 1311 NZ LYS A 76 0.266 -16.755 -16.249 1.00 1.13 N ATOM 0 H LYS A 76 -2.064 -13.308 -14.427 1.00 0.50 H new ATOM 0 HA LYS A 76 -1.339 -15.679 -13.071 1.00 0.51 H new ATOM 0 HB2 LYS A 76 -0.280 -12.834 -13.212 1.00 0.47 H new ATOM 0 HB3 LYS A 76 0.520 -14.076 -12.269 1.00 0.47 H new ATOM 0 HG2 LYS A 76 -0.046 -14.389 -15.234 1.00 1.16 H new ATOM 0 HG3 LYS A 76 1.424 -13.656 -14.622 1.00 1.16 H new ATOM 0 HD2 LYS A 76 2.226 -15.780 -14.660 1.00 1.43 H new ATOM 0 HD3 LYS A 76 1.392 -15.932 -13.127 1.00 1.43 H new ATOM 0 HE2 LYS A 76 0.808 -17.821 -14.502 1.00 0.71 H new ATOM 0 HE3 LYS A 76 -0.611 -16.808 -14.322 1.00 0.71 H new ATOM 0 HZ1 LYS A 76 -0.170 -17.623 -16.621 1.00 1.13 H new ATOM 0 HZ2 LYS A 76 -0.326 -15.937 -16.497 1.00 1.13 H new ATOM 0 HZ3 LYS A 76 1.212 -16.637 -16.665 1.00 1.13 H new ATOM 1325 N ALA A 77 -2.312 -13.187 -11.190 1.00 0.57 N ATOM 1326 CA ALA A 77 -2.712 -12.857 -9.837 1.00 0.64 C ATOM 1327 C ALA A 77 -3.963 -13.626 -9.434 1.00 0.65 C ATOM 1328 O ALA A 77 -4.222 -13.830 -8.248 1.00 0.70 O ATOM 1329 CB ALA A 77 -2.920 -11.367 -9.706 1.00 0.68 C ATOM 0 H ALA A 77 -2.364 -12.411 -11.850 1.00 0.57 H new ATOM 0 HA ALA A 77 -1.914 -13.154 -9.157 1.00 0.64 H new ATOM 0 HB1 ALA A 77 -3.220 -11.130 -8.685 1.00 0.68 H new ATOM 0 HB2 ALA A 77 -1.991 -10.848 -9.941 1.00 0.68 H new ATOM 0 HB3 ALA A 77 -3.699 -11.046 -10.397 1.00 0.68 H new ATOM 1335 N ALA A 78 -4.723 -14.072 -10.426 1.00 0.63 N ATOM 1336 CA ALA A 78 -5.881 -14.908 -10.175 1.00 0.67 C ATOM 1337 C ALA A 78 -5.426 -16.290 -9.740 1.00 0.67 C ATOM 1338 O ALA A 78 -5.993 -16.883 -8.823 1.00 0.73 O ATOM 1339 CB ALA A 78 -6.737 -15.004 -11.423 1.00 0.66 C ATOM 0 H ALA A 78 -4.555 -13.867 -11.411 1.00 0.63 H new ATOM 0 HA ALA A 78 -6.479 -14.463 -9.380 1.00 0.67 H new ATOM 0 HB1 ALA A 78 -7.603 -15.634 -11.222 1.00 0.66 H new ATOM 0 HB2 ALA A 78 -7.072 -14.008 -11.712 1.00 0.66 H new ATOM 0 HB3 ALA A 78 -6.152 -15.439 -12.233 1.00 0.66 H new ATOM 1345 N GLU A 79 -4.374 -16.777 -10.383 1.00 0.62 N ATOM 1346 CA GLU A 79 -3.824 -18.085 -10.083 1.00 0.65 C ATOM 1347 C GLU A 79 -3.115 -18.076 -8.740 1.00 0.66 C ATOM 1348 O GLU A 79 -3.021 -19.102 -8.080 1.00 0.67 O ATOM 1349 CB GLU A 79 -2.856 -18.526 -11.181 1.00 0.65 C ATOM 1350 CG GLU A 79 -3.446 -18.407 -12.570 1.00 0.85 C ATOM 1351 CD GLU A 79 -2.731 -19.258 -13.593 1.00 0.87 C ATOM 1352 OE1 GLU A 79 -2.789 -20.502 -13.489 1.00 1.33 O ATOM 1353 OE2 GLU A 79 -2.087 -18.685 -14.500 1.00 1.26 O ATOM 0 H GLU A 79 -3.882 -16.277 -11.123 1.00 0.62 H new ATOM 0 HA GLU A 79 -4.650 -18.795 -10.036 1.00 0.65 H new ATOM 0 HB2 GLU A 79 -1.950 -17.922 -11.124 1.00 0.65 H new ATOM 0 HB3 GLU A 79 -2.561 -19.560 -11.004 1.00 0.65 H new ATOM 0 HG2 GLU A 79 -4.497 -18.695 -12.538 1.00 0.85 H new ATOM 0 HG3 GLU A 79 -3.411 -17.364 -12.885 1.00 0.85 H new ATOM 1360 N LEU A 80 -2.643 -16.908 -8.329 1.00 0.66 N ATOM 1361 CA LEU A 80 -1.946 -16.771 -7.063 1.00 0.70 C ATOM 1362 C LEU A 80 -2.954 -16.609 -5.932 1.00 0.74 C ATOM 1363 O LEU A 80 -2.739 -17.082 -4.816 1.00 0.80 O ATOM 1364 CB LEU A 80 -1.000 -15.577 -7.136 1.00 0.71 C ATOM 1365 CG LEU A 80 -0.213 -15.488 -8.447 1.00 0.66 C ATOM 1366 CD1 LEU A 80 0.527 -14.173 -8.544 1.00 0.97 C ATOM 1367 CD2 LEU A 80 0.748 -16.659 -8.593 1.00 0.98 C ATOM 0 H LEU A 80 -2.732 -16.040 -8.857 1.00 0.66 H new ATOM 0 HA LEU A 80 -1.358 -17.667 -6.863 1.00 0.70 H new ATOM 0 HB2 LEU A 80 -1.576 -14.661 -7.007 1.00 0.71 H new ATOM 0 HB3 LEU A 80 -0.297 -15.631 -6.305 1.00 0.71 H new ATOM 0 HG LEU A 80 -0.929 -15.538 -9.268 1.00 0.66 H new ATOM 0 HD11 LEU A 80 1.078 -14.134 -9.484 1.00 0.97 H new ATOM 0 HD12 LEU A 80 -0.187 -13.350 -8.508 1.00 0.97 H new ATOM 0 HD13 LEU A 80 1.224 -14.085 -7.711 1.00 0.97 H new ATOM 0 HD21 LEU A 80 1.292 -16.568 -9.533 1.00 0.98 H new ATOM 0 HD22 LEU A 80 1.454 -16.656 -7.763 1.00 0.98 H new ATOM 0 HD23 LEU A 80 0.187 -17.593 -8.588 1.00 0.98 H new ATOM 1379 N LYS A 81 -4.065 -15.950 -6.239 1.00 0.74 N ATOM 1380 CA LYS A 81 -5.174 -15.839 -5.303 1.00 0.79 C ATOM 1381 C LYS A 81 -5.772 -17.226 -5.082 1.00 0.77 C ATOM 1382 O LYS A 81 -5.958 -17.667 -3.947 1.00 0.79 O ATOM 1383 CB LYS A 81 -6.229 -14.869 -5.864 1.00 0.83 C ATOM 1384 CG LYS A 81 -7.232 -14.343 -4.841 1.00 1.18 C ATOM 1385 CD LYS A 81 -8.194 -15.417 -4.363 1.00 1.34 C ATOM 1386 CE LYS A 81 -9.202 -14.859 -3.373 1.00 1.68 C ATOM 1387 NZ LYS A 81 -10.082 -15.918 -2.817 1.00 2.12 N ATOM 0 H LYS A 81 -4.221 -15.483 -7.133 1.00 0.74 H new ATOM 0 HA LYS A 81 -4.825 -15.446 -4.348 1.00 0.79 H new ATOM 0 HB2 LYS A 81 -5.716 -14.020 -6.317 1.00 0.83 H new ATOM 0 HB3 LYS A 81 -6.776 -15.373 -6.661 1.00 0.83 H new ATOM 0 HG2 LYS A 81 -6.693 -13.936 -3.985 1.00 1.18 H new ATOM 0 HG3 LYS A 81 -7.798 -13.522 -5.281 1.00 1.18 H new ATOM 0 HD2 LYS A 81 -8.719 -15.843 -5.218 1.00 1.34 H new ATOM 0 HD3 LYS A 81 -7.634 -16.227 -3.896 1.00 1.34 H new ATOM 0 HE2 LYS A 81 -8.674 -14.363 -2.559 1.00 1.68 H new ATOM 0 HE3 LYS A 81 -9.813 -14.102 -3.865 1.00 1.68 H new ATOM 0 HZ1 LYS A 81 -10.455 -15.611 -1.896 1.00 2.12 H new ATOM 0 HZ2 LYS A 81 -10.872 -16.091 -3.470 1.00 2.12 H new ATOM 0 HZ3 LYS A 81 -9.536 -16.795 -2.695 1.00 2.12 H new ATOM 1401 N ASN A 82 -6.039 -17.918 -6.187 1.00 0.75 N ATOM 1402 CA ASN A 82 -6.600 -19.262 -6.142 1.00 0.75 C ATOM 1403 C ASN A 82 -5.614 -20.225 -5.494 1.00 0.74 C ATOM 1404 O ASN A 82 -6.024 -21.196 -4.854 1.00 0.80 O ATOM 1405 CB ASN A 82 -6.955 -19.730 -7.554 1.00 0.73 C ATOM 1406 CG ASN A 82 -7.597 -21.104 -7.592 1.00 0.87 C ATOM 1407 OD1 ASN A 82 -6.914 -22.124 -7.685 1.00 1.42 O ATOM 1408 ND2 ASN A 82 -8.916 -21.141 -7.539 1.00 1.54 N ATOM 0 H ASN A 82 -5.874 -17.565 -7.130 1.00 0.75 H new ATOM 0 HA ASN A 82 -7.509 -19.244 -5.541 1.00 0.75 H new ATOM 0 HB2 ASN A 82 -7.634 -19.008 -8.008 1.00 0.73 H new ATOM 0 HB3 ASN A 82 -6.050 -19.743 -8.162 1.00 0.73 H new ATOM 0 HD21 ASN A 82 -9.403 -22.037 -7.575 1.00 1.54 H new ATOM 0 HD22 ASN A 82 -9.448 -20.274 -7.462 1.00 1.54 H new ATOM 1415 N LEU A 83 -4.326 -19.947 -5.646 1.00 0.72 N ATOM 1416 CA LEU A 83 -3.305 -20.765 -5.031 1.00 0.72 C ATOM 1417 C LEU A 83 -3.480 -20.777 -3.520 1.00 0.74 C ATOM 1418 O LEU A 83 -3.474 -21.840 -2.897 1.00 0.77 O ATOM 1419 CB LEU A 83 -1.919 -20.240 -5.403 1.00 0.75 C ATOM 1420 CG LEU A 83 -1.243 -20.933 -6.590 1.00 0.73 C ATOM 1421 CD1 LEU A 83 0.049 -20.224 -6.960 1.00 1.05 C ATOM 1422 CD2 LEU A 83 -0.968 -22.398 -6.278 1.00 1.37 C ATOM 0 H LEU A 83 -3.970 -19.161 -6.190 1.00 0.72 H new ATOM 0 HA LEU A 83 -3.402 -21.787 -5.399 1.00 0.72 H new ATOM 0 HB2 LEU A 83 -2.001 -19.176 -5.626 1.00 0.75 H new ATOM 0 HB3 LEU A 83 -1.269 -20.334 -4.533 1.00 0.75 H new ATOM 0 HG LEU A 83 -1.924 -20.883 -7.440 1.00 0.73 H new ATOM 0 HD11 LEU A 83 0.514 -20.732 -7.805 1.00 1.05 H new ATOM 0 HD12 LEU A 83 -0.168 -19.191 -7.232 1.00 1.05 H new ATOM 0 HD13 LEU A 83 0.729 -20.240 -6.109 1.00 1.05 H new ATOM 0 HD21 LEU A 83 -0.488 -22.869 -7.136 1.00 1.37 H new ATOM 0 HD22 LEU A 83 -0.311 -22.468 -5.411 1.00 1.37 H new ATOM 0 HD23 LEU A 83 -1.908 -22.907 -6.064 1.00 1.37 H new ATOM 1434 N LYS A 84 -3.700 -19.599 -2.943 1.00 0.76 N ATOM 1435 CA LYS A 84 -3.824 -19.471 -1.496 1.00 0.81 C ATOM 1436 C LYS A 84 -5.007 -20.288 -0.981 1.00 0.83 C ATOM 1437 O LYS A 84 -4.870 -21.072 -0.042 1.00 0.87 O ATOM 1438 CB LYS A 84 -3.995 -18.004 -1.091 1.00 0.88 C ATOM 1439 CG LYS A 84 -4.089 -17.804 0.417 1.00 0.96 C ATOM 1440 CD LYS A 84 -4.351 -16.353 0.791 1.00 1.19 C ATOM 1441 CE LYS A 84 -3.218 -15.439 0.359 1.00 1.54 C ATOM 1442 NZ LYS A 84 -3.483 -14.023 0.725 1.00 2.27 N ATOM 0 H LYS A 84 -3.796 -18.722 -3.455 1.00 0.76 H new ATOM 0 HA LYS A 84 -2.907 -19.855 -1.049 1.00 0.81 H new ATOM 0 HB2 LYS A 84 -3.154 -17.427 -1.476 1.00 0.88 H new ATOM 0 HB3 LYS A 84 -4.895 -17.607 -1.560 1.00 0.88 H new ATOM 0 HG2 LYS A 84 -4.888 -18.430 0.815 1.00 0.96 H new ATOM 0 HG3 LYS A 84 -3.162 -18.136 0.884 1.00 0.96 H new ATOM 0 HD2 LYS A 84 -5.280 -16.022 0.328 1.00 1.19 H new ATOM 0 HD3 LYS A 84 -4.487 -16.276 1.870 1.00 1.19 H new ATOM 0 HE2 LYS A 84 -2.288 -15.767 0.824 1.00 1.54 H new ATOM 0 HE3 LYS A 84 -3.079 -15.516 -0.719 1.00 1.54 H new ATOM 0 HZ1 LYS A 84 -2.688 -13.429 0.414 1.00 2.27 H new ATOM 0 HZ2 LYS A 84 -4.357 -13.702 0.261 1.00 2.27 H new ATOM 0 HZ3 LYS A 84 -3.590 -13.945 1.757 1.00 2.27 H new ATOM 1456 N ASP A 85 -6.166 -20.106 -1.604 1.00 0.84 N ATOM 1457 CA ASP A 85 -7.379 -20.817 -1.204 1.00 0.91 C ATOM 1458 C ASP A 85 -7.286 -22.310 -1.489 1.00 0.90 C ATOM 1459 O ASP A 85 -7.931 -23.116 -0.816 1.00 0.94 O ATOM 1460 CB ASP A 85 -8.603 -20.244 -1.920 1.00 0.98 C ATOM 1461 CG ASP A 85 -8.997 -18.880 -1.403 1.00 1.59 C ATOM 1462 OD1 ASP A 85 -8.504 -17.870 -1.936 1.00 2.52 O ATOM 1463 OD2 ASP A 85 -9.814 -18.811 -0.459 1.00 1.48 O ATOM 0 H ASP A 85 -6.293 -19.470 -2.391 1.00 0.84 H new ATOM 0 HA ASP A 85 -7.484 -20.679 -0.128 1.00 0.91 H new ATOM 0 HB2 ASP A 85 -8.395 -20.177 -2.988 1.00 0.98 H new ATOM 0 HB3 ASP A 85 -9.442 -20.929 -1.801 1.00 0.98 H new ATOM 1468 N SER A 86 -6.495 -22.685 -2.481 1.00 0.86 N ATOM 1469 CA SER A 86 -6.323 -24.090 -2.817 1.00 0.90 C ATOM 1470 C SER A 86 -5.367 -24.755 -1.827 1.00 0.84 C ATOM 1471 O SER A 86 -5.262 -25.978 -1.771 1.00 0.96 O ATOM 1472 CB SER A 86 -5.796 -24.241 -4.247 1.00 0.97 C ATOM 1473 OG SER A 86 -5.851 -25.591 -4.677 1.00 1.52 O ATOM 0 H SER A 86 -5.964 -22.040 -3.066 1.00 0.86 H new ATOM 0 HA SER A 86 -7.293 -24.582 -2.754 1.00 0.90 H new ATOM 0 HB2 SER A 86 -6.384 -23.618 -4.921 1.00 0.97 H new ATOM 0 HB3 SER A 86 -4.768 -23.883 -4.298 1.00 0.97 H new ATOM 0 HG SER A 86 -5.544 -26.177 -3.954 1.00 1.52 H new ATOM 1479 N GLY A 87 -4.662 -23.942 -1.057 1.00 0.80 N ATOM 1480 CA GLY A 87 -3.831 -24.472 0.000 1.00 0.88 C ATOM 1481 C GLY A 87 -2.359 -24.332 -0.293 1.00 0.82 C ATOM 1482 O GLY A 87 -1.536 -25.005 0.332 1.00 0.92 O ATOM 0 H GLY A 87 -4.651 -22.926 -1.145 1.00 0.80 H new ATOM 0 HA2 GLY A 87 -4.063 -23.956 0.932 1.00 0.88 H new ATOM 0 HA3 GLY A 87 -4.069 -25.525 0.151 1.00 0.88 H new ATOM 1486 N ALA A 88 -2.012 -23.485 -1.249 1.00 0.76 N ATOM 1487 CA ALA A 88 -0.616 -23.188 -1.498 1.00 0.76 C ATOM 1488 C ALA A 88 -0.029 -22.529 -0.261 1.00 0.80 C ATOM 1489 O ALA A 88 -0.650 -21.678 0.380 1.00 0.83 O ATOM 1490 CB ALA A 88 -0.486 -22.265 -2.697 1.00 0.76 C ATOM 0 H ALA A 88 -2.671 -22.998 -1.857 1.00 0.76 H new ATOM 0 HA ALA A 88 -0.075 -24.109 -1.714 1.00 0.76 H new ATOM 0 HB1 ALA A 88 0.567 -22.047 -2.876 1.00 0.76 H new ATOM 0 HB2 ALA A 88 -0.911 -22.749 -3.576 1.00 0.76 H new ATOM 0 HB3 ALA A 88 -1.020 -21.335 -2.500 1.00 0.76 H new ATOM 1496 N SER A 89 1.168 -22.970 0.068 1.00 0.81 N ATOM 1497 CA SER A 89 1.933 -22.405 1.146 1.00 0.86 C ATOM 1498 C SER A 89 2.372 -20.982 0.798 1.00 0.78 C ATOM 1499 O SER A 89 2.356 -20.596 -0.382 1.00 0.77 O ATOM 1500 CB SER A 89 3.136 -23.299 1.407 1.00 0.93 C ATOM 1501 OG SER A 89 2.741 -24.661 1.497 1.00 1.60 O ATOM 0 H SER A 89 1.636 -23.738 -0.413 1.00 0.81 H new ATOM 0 HA SER A 89 1.323 -22.349 2.047 1.00 0.86 H new ATOM 0 HB2 SER A 89 3.865 -23.179 0.605 1.00 0.93 H new ATOM 0 HB3 SER A 89 3.627 -22.996 2.332 1.00 0.93 H new ATOM 0 HG SER A 89 3.529 -25.220 1.663 1.00 1.60 H new ATOM 1507 N LYS A 90 2.761 -20.204 1.801 1.00 0.76 N ATOM 1508 CA LYS A 90 3.185 -18.825 1.574 1.00 0.74 C ATOM 1509 C LYS A 90 4.283 -18.770 0.519 1.00 0.69 C ATOM 1510 O LYS A 90 4.341 -17.848 -0.282 1.00 0.67 O ATOM 1511 CB LYS A 90 3.683 -18.197 2.873 1.00 0.81 C ATOM 1512 CG LYS A 90 2.626 -18.135 3.961 1.00 1.29 C ATOM 1513 CD LYS A 90 3.182 -17.526 5.235 1.00 1.77 C ATOM 1514 CE LYS A 90 2.132 -17.471 6.331 1.00 2.22 C ATOM 1515 NZ LYS A 90 0.965 -16.635 5.945 1.00 2.96 N ATOM 0 H LYS A 90 2.792 -20.502 2.776 1.00 0.76 H new ATOM 0 HA LYS A 90 2.324 -18.260 1.217 1.00 0.74 H new ATOM 0 HB2 LYS A 90 4.537 -18.768 3.239 1.00 0.81 H new ATOM 0 HB3 LYS A 90 4.039 -17.188 2.666 1.00 0.81 H new ATOM 0 HG2 LYS A 90 1.778 -17.546 3.614 1.00 1.29 H new ATOM 0 HG3 LYS A 90 2.254 -19.139 4.167 1.00 1.29 H new ATOM 0 HD2 LYS A 90 4.036 -18.111 5.577 1.00 1.77 H new ATOM 0 HD3 LYS A 90 3.547 -16.520 5.029 1.00 1.77 H new ATOM 0 HE2 LYS A 90 1.794 -18.482 6.560 1.00 2.22 H new ATOM 0 HE3 LYS A 90 2.579 -17.071 7.241 1.00 2.22 H new ATOM 0 HZ1 LYS A 90 0.383 -16.443 6.785 1.00 2.96 H new ATOM 0 HZ2 LYS A 90 1.300 -15.736 5.543 1.00 2.96 H new ATOM 0 HZ3 LYS A 90 0.395 -17.140 5.237 1.00 2.96 H new ATOM 1529 N GLU A 91 5.126 -19.788 0.521 1.00 0.71 N ATOM 1530 CA GLU A 91 6.216 -19.916 -0.426 1.00 0.70 C ATOM 1531 C GLU A 91 5.726 -20.079 -1.871 1.00 0.67 C ATOM 1532 O GLU A 91 6.353 -19.588 -2.794 1.00 0.67 O ATOM 1533 CB GLU A 91 7.059 -21.129 -0.046 1.00 0.73 C ATOM 1534 CG GLU A 91 8.332 -21.265 -0.854 1.00 1.30 C ATOM 1535 CD GLU A 91 9.019 -22.588 -0.621 1.00 1.74 C ATOM 1536 OE1 GLU A 91 9.846 -22.674 0.315 1.00 2.10 O ATOM 1537 OE2 GLU A 91 8.751 -23.545 -1.377 1.00 2.34 O ATOM 0 H GLU A 91 5.071 -20.557 1.189 1.00 0.71 H new ATOM 0 HA GLU A 91 6.802 -18.998 -0.382 1.00 0.70 H new ATOM 0 HB2 GLU A 91 7.316 -21.065 1.011 1.00 0.73 H new ATOM 0 HB3 GLU A 91 6.460 -22.031 -0.174 1.00 0.73 H new ATOM 0 HG2 GLU A 91 8.100 -21.160 -1.914 1.00 1.30 H new ATOM 0 HG3 GLU A 91 9.013 -20.454 -0.595 1.00 1.30 H new ATOM 1544 N GLU A 92 4.616 -20.777 -2.064 1.00 0.66 N ATOM 1545 CA GLU A 92 4.050 -20.994 -3.381 1.00 0.65 C ATOM 1546 C GLU A 92 3.516 -19.688 -3.931 1.00 0.60 C ATOM 1547 O GLU A 92 3.543 -19.452 -5.126 1.00 0.57 O ATOM 1548 CB GLU A 92 2.921 -21.991 -3.272 1.00 0.69 C ATOM 1549 CG GLU A 92 3.284 -23.238 -2.499 1.00 0.74 C ATOM 1550 CD GLU A 92 4.222 -24.157 -3.253 1.00 1.06 C ATOM 1551 OE1 GLU A 92 5.454 -23.973 -3.144 1.00 1.45 O ATOM 1552 OE2 GLU A 92 3.739 -25.052 -3.973 1.00 1.10 O ATOM 0 H GLU A 92 4.084 -21.208 -1.308 1.00 0.66 H new ATOM 0 HA GLU A 92 4.820 -21.376 -4.051 1.00 0.65 H new ATOM 0 HB2 GLU A 92 2.069 -21.511 -2.790 1.00 0.69 H new ATOM 0 HB3 GLU A 92 2.602 -22.276 -4.274 1.00 0.69 H new ATOM 0 HG2 GLU A 92 3.748 -22.950 -1.556 1.00 0.74 H new ATOM 0 HG3 GLU A 92 2.373 -23.783 -2.253 1.00 0.74 H new ATOM 1559 N LEU A 93 3.037 -18.838 -3.038 1.00 0.61 N ATOM 1560 CA LEU A 93 2.791 -17.454 -3.426 1.00 0.60 C ATOM 1561 C LEU A 93 4.146 -16.797 -3.577 1.00 0.61 C ATOM 1562 O LEU A 93 4.382 -16.163 -4.587 1.00 0.64 O ATOM 1563 CB LEU A 93 1.877 -16.732 -2.436 1.00 0.64 C ATOM 1564 CG LEU A 93 0.434 -17.245 -2.437 1.00 0.69 C ATOM 1565 CD1 LEU A 93 0.211 -18.259 -1.327 1.00 1.08 C ATOM 1566 CD2 LEU A 93 -0.553 -16.093 -2.333 1.00 1.07 C ATOM 0 H LEU A 93 2.816 -19.068 -2.069 1.00 0.61 H new ATOM 0 HA LEU A 93 2.250 -17.404 -4.371 1.00 0.60 H new ATOM 0 HB2 LEU A 93 2.289 -16.837 -1.432 1.00 0.64 H new ATOM 0 HB3 LEU A 93 1.874 -15.667 -2.669 1.00 0.64 H new ATOM 0 HG LEU A 93 0.260 -17.751 -3.387 1.00 0.69 H new ATOM 0 HD11 LEU A 93 -0.822 -18.605 -1.353 1.00 1.08 H new ATOM 0 HD12 LEU A 93 0.881 -19.107 -1.469 1.00 1.08 H new ATOM 0 HD13 LEU A 93 0.414 -17.793 -0.363 1.00 1.08 H new ATOM 0 HD21 LEU A 93 -1.570 -16.484 -2.336 1.00 1.07 H new ATOM 0 HD22 LEU A 93 -0.377 -15.546 -1.407 1.00 1.07 H new ATOM 0 HD23 LEU A 93 -0.420 -15.422 -3.182 1.00 1.07 H new ATOM 1578 N LYS A 94 5.073 -16.979 -2.674 1.00 0.61 N ATOM 1579 CA LYS A 94 6.237 -16.109 -2.647 1.00 0.61 C ATOM 1580 C LYS A 94 7.140 -16.362 -3.835 1.00 0.66 C ATOM 1581 O LYS A 94 7.676 -15.435 -4.439 1.00 0.72 O ATOM 1582 CB LYS A 94 7.010 -16.283 -1.342 1.00 0.64 C ATOM 1583 CG LYS A 94 8.224 -15.379 -1.239 1.00 0.69 C ATOM 1584 CD LYS A 94 7.833 -13.913 -1.307 1.00 1.16 C ATOM 1585 CE LYS A 94 9.028 -13.037 -1.639 1.00 1.38 C ATOM 1586 NZ LYS A 94 9.593 -13.356 -2.978 1.00 2.06 N ATOM 0 H LYS A 94 5.055 -17.704 -1.957 1.00 0.61 H new ATOM 0 HA LYS A 94 5.884 -15.080 -2.707 1.00 0.61 H new ATOM 0 HB2 LYS A 94 6.343 -16.082 -0.503 1.00 0.64 H new ATOM 0 HB3 LYS A 94 7.330 -17.321 -1.253 1.00 0.64 H new ATOM 0 HG2 LYS A 94 8.746 -15.574 -0.302 1.00 0.69 H new ATOM 0 HG3 LYS A 94 8.920 -15.609 -2.046 1.00 0.69 H new ATOM 0 HD2 LYS A 94 7.058 -13.776 -2.061 1.00 1.16 H new ATOM 0 HD3 LYS A 94 7.407 -13.604 -0.353 1.00 1.16 H new ATOM 0 HE2 LYS A 94 8.729 -11.989 -1.611 1.00 1.38 H new ATOM 0 HE3 LYS A 94 9.798 -13.169 -0.879 1.00 1.38 H new ATOM 0 HZ1 LYS A 94 10.341 -12.672 -3.211 1.00 2.06 H new ATOM 0 HZ2 LYS A 94 9.993 -14.316 -2.966 1.00 2.06 H new ATOM 0 HZ3 LYS A 94 8.840 -13.304 -3.694 1.00 2.06 H new ATOM 1600 N ALA A 95 7.285 -17.618 -4.163 1.00 0.67 N ATOM 1601 CA ALA A 95 8.133 -18.026 -5.250 1.00 0.73 C ATOM 1602 C ALA A 95 7.438 -17.872 -6.591 1.00 0.73 C ATOM 1603 O ALA A 95 7.986 -17.277 -7.519 1.00 0.93 O ATOM 1604 CB ALA A 95 8.568 -19.469 -5.051 1.00 0.77 C ATOM 0 H ALA A 95 6.818 -18.388 -3.683 1.00 0.67 H new ATOM 0 HA ALA A 95 9.009 -17.377 -5.254 1.00 0.73 H new ATOM 0 HB1 ALA A 95 9.210 -19.773 -5.878 1.00 0.77 H new ATOM 0 HB2 ALA A 95 9.117 -19.558 -4.113 1.00 0.77 H new ATOM 0 HB3 ALA A 95 7.689 -20.113 -5.019 1.00 0.77 H new ATOM 1610 N LYS A 96 6.223 -18.416 -6.694 1.00 0.70 N ATOM 1611 CA LYS A 96 5.502 -18.420 -7.962 1.00 0.76 C ATOM 1612 C LYS A 96 5.111 -17.008 -8.416 1.00 0.58 C ATOM 1613 O LYS A 96 4.835 -16.773 -9.594 1.00 0.55 O ATOM 1614 CB LYS A 96 4.252 -19.288 -7.873 1.00 1.02 C ATOM 1615 CG LYS A 96 4.502 -20.777 -8.077 1.00 1.75 C ATOM 1616 CD LYS A 96 5.554 -21.308 -7.116 1.00 2.07 C ATOM 1617 CE LYS A 96 5.537 -22.826 -7.039 1.00 2.92 C ATOM 1618 NZ LYS A 96 5.891 -23.454 -8.338 1.00 3.11 N ATOM 0 H LYS A 96 5.724 -18.855 -5.920 1.00 0.70 H new ATOM 0 HA LYS A 96 6.184 -18.836 -8.704 1.00 0.76 H new ATOM 0 HB2 LYS A 96 3.791 -19.140 -6.896 1.00 1.02 H new ATOM 0 HB3 LYS A 96 3.534 -18.947 -8.619 1.00 1.02 H new ATOM 0 HG2 LYS A 96 3.570 -21.325 -7.936 1.00 1.75 H new ATOM 0 HG3 LYS A 96 4.824 -20.955 -9.103 1.00 1.75 H new ATOM 0 HD2 LYS A 96 6.540 -20.972 -7.436 1.00 2.07 H new ATOM 0 HD3 LYS A 96 5.382 -20.892 -6.123 1.00 2.07 H new ATOM 0 HE2 LYS A 96 6.238 -23.158 -6.273 1.00 2.92 H new ATOM 0 HE3 LYS A 96 4.547 -23.162 -6.732 1.00 2.92 H new ATOM 0 HZ1 LYS A 96 5.917 -24.488 -8.228 1.00 3.11 H new ATOM 0 HZ2 LYS A 96 5.179 -23.200 -9.052 1.00 3.11 H new ATOM 0 HZ3 LYS A 96 6.825 -23.115 -8.644 1.00 3.11 H new ATOM 1632 N VAL A 97 5.109 -16.074 -7.467 1.00 0.62 N ATOM 1633 CA VAL A 97 4.841 -14.676 -7.768 1.00 0.57 C ATOM 1634 C VAL A 97 5.995 -14.089 -8.566 1.00 0.54 C ATOM 1635 O VAL A 97 5.786 -13.381 -9.549 1.00 0.59 O ATOM 1636 CB VAL A 97 4.624 -13.845 -6.482 1.00 0.60 C ATOM 1637 CG1 VAL A 97 4.871 -12.370 -6.730 1.00 0.97 C ATOM 1638 CG2 VAL A 97 3.221 -14.047 -5.950 1.00 0.93 C ATOM 0 H VAL A 97 5.291 -16.264 -6.482 1.00 0.62 H new ATOM 0 HA VAL A 97 3.924 -14.633 -8.355 1.00 0.57 H new ATOM 0 HB VAL A 97 5.343 -14.193 -5.740 1.00 0.60 H new ATOM 0 HG11 VAL A 97 4.710 -11.814 -5.806 1.00 0.97 H new ATOM 0 HG12 VAL A 97 5.897 -12.225 -7.067 1.00 0.97 H new ATOM 0 HG13 VAL A 97 4.183 -12.010 -7.495 1.00 0.97 H new ATOM 0 HG21 VAL A 97 3.086 -13.455 -5.045 1.00 0.93 H new ATOM 0 HG22 VAL A 97 2.498 -13.731 -6.702 1.00 0.93 H new ATOM 0 HG23 VAL A 97 3.067 -15.101 -5.720 1.00 0.93 H new ATOM 1648 N GLU A 98 7.216 -14.418 -8.155 1.00 0.53 N ATOM 1649 CA GLU A 98 8.410 -13.909 -8.818 1.00 0.57 C ATOM 1650 C GLU A 98 8.466 -14.412 -10.251 1.00 0.52 C ATOM 1651 O GLU A 98 9.061 -13.784 -11.120 1.00 0.53 O ATOM 1652 CB GLU A 98 9.676 -14.341 -8.080 1.00 0.68 C ATOM 1653 CG GLU A 98 9.650 -14.082 -6.577 1.00 0.81 C ATOM 1654 CD GLU A 98 9.199 -12.681 -6.211 1.00 1.31 C ATOM 1655 OE1 GLU A 98 9.670 -11.716 -6.855 1.00 1.65 O ATOM 1656 OE2 GLU A 98 8.358 -12.532 -5.302 1.00 2.03 O ATOM 0 H GLU A 98 7.404 -15.035 -7.365 1.00 0.53 H new ATOM 0 HA GLU A 98 8.358 -12.820 -8.812 1.00 0.57 H new ATOM 0 HB2 GLU A 98 9.835 -15.406 -8.250 1.00 0.68 H new ATOM 0 HB3 GLU A 98 10.530 -13.818 -8.512 1.00 0.68 H new ATOM 0 HG2 GLU A 98 8.985 -14.804 -6.104 1.00 0.81 H new ATOM 0 HG3 GLU A 98 10.647 -14.252 -6.170 1.00 0.81 H new ATOM 1663 N GLU A 99 7.836 -15.555 -10.483 1.00 0.49 N ATOM 1664 CA GLU A 99 7.774 -16.148 -11.812 1.00 0.49 C ATOM 1665 C GLU A 99 6.714 -15.462 -12.660 1.00 0.48 C ATOM 1666 O GLU A 99 6.912 -15.227 -13.853 1.00 0.51 O ATOM 1667 CB GLU A 99 7.470 -17.642 -11.711 1.00 0.52 C ATOM 1668 CG GLU A 99 8.533 -18.427 -10.961 1.00 0.91 C ATOM 1669 CD GLU A 99 9.864 -18.428 -11.680 1.00 1.68 C ATOM 1670 OE1 GLU A 99 10.581 -17.407 -11.626 1.00 2.48 O ATOM 1671 OE2 GLU A 99 10.201 -19.452 -12.307 1.00 1.82 O ATOM 0 H GLU A 99 7.357 -16.094 -9.762 1.00 0.49 H new ATOM 0 HA GLU A 99 8.744 -16.012 -12.290 1.00 0.49 H new ATOM 0 HB2 GLU A 99 6.510 -17.777 -11.212 1.00 0.52 H new ATOM 0 HB3 GLU A 99 7.367 -18.053 -12.715 1.00 0.52 H new ATOM 0 HG2 GLU A 99 8.661 -18.001 -9.966 1.00 0.91 H new ATOM 0 HG3 GLU A 99 8.195 -19.455 -10.827 1.00 0.91 H new ATOM 1678 N ALA A 100 5.597 -15.134 -12.037 1.00 0.49 N ATOM 1679 CA ALA A 100 4.504 -14.481 -12.733 1.00 0.55 C ATOM 1680 C ALA A 100 4.844 -13.024 -13.023 1.00 0.54 C ATOM 1681 O ALA A 100 4.738 -12.567 -14.160 1.00 0.58 O ATOM 1682 CB ALA A 100 3.231 -14.591 -11.912 1.00 0.63 C ATOM 0 H ALA A 100 5.423 -15.310 -11.047 1.00 0.49 H new ATOM 0 HA ALA A 100 4.345 -14.980 -13.689 1.00 0.55 H new ATOM 0 HB1 ALA A 100 2.414 -14.099 -12.440 1.00 0.63 H new ATOM 0 HB2 ALA A 100 2.985 -15.642 -11.762 1.00 0.63 H new ATOM 0 HB3 ALA A 100 3.379 -14.111 -10.945 1.00 0.63 H new ATOM 1688 N LEU A 101 5.272 -12.307 -11.994 1.00 0.51 N ATOM 1689 CA LEU A 101 5.672 -10.917 -12.122 1.00 0.53 C ATOM 1690 C LEU A 101 7.005 -10.795 -12.852 1.00 0.51 C ATOM 1691 O LEU A 101 7.504 -9.697 -13.077 1.00 0.53 O ATOM 1692 CB LEU A 101 5.763 -10.272 -10.737 1.00 0.53 C ATOM 1693 CG LEU A 101 4.429 -9.915 -10.065 1.00 0.66 C ATOM 1694 CD1 LEU A 101 3.760 -8.758 -10.787 1.00 1.40 C ATOM 1695 CD2 LEU A 101 3.478 -11.104 -10.001 1.00 1.28 C ATOM 0 H LEU A 101 5.351 -12.675 -11.046 1.00 0.51 H new ATOM 0 HA LEU A 101 4.918 -10.395 -12.711 1.00 0.53 H new ATOM 0 HB2 LEU A 101 6.307 -10.949 -10.079 1.00 0.53 H new ATOM 0 HB3 LEU A 101 6.358 -9.363 -10.821 1.00 0.53 H new ATOM 0 HG LEU A 101 4.659 -9.620 -9.041 1.00 0.66 H new ATOM 0 HD11 LEU A 101 2.816 -8.520 -10.296 1.00 1.40 H new ATOM 0 HD12 LEU A 101 4.413 -7.886 -10.760 1.00 1.40 H new ATOM 0 HD13 LEU A 101 3.570 -9.037 -11.823 1.00 1.40 H new ATOM 0 HD21 LEU A 101 2.549 -10.801 -9.518 1.00 1.28 H new ATOM 0 HD22 LEU A 101 3.264 -11.454 -11.011 1.00 1.28 H new ATOM 0 HD23 LEU A 101 3.940 -11.909 -9.429 1.00 1.28 H new ATOM 1707 N HIS A 102 7.597 -11.927 -13.187 1.00 0.51 N ATOM 1708 CA HIS A 102 8.735 -11.944 -14.089 1.00 0.53 C ATOM 1709 C HIS A 102 8.213 -11.751 -15.503 1.00 0.56 C ATOM 1710 O HIS A 102 8.765 -10.985 -16.287 1.00 0.57 O ATOM 1711 CB HIS A 102 9.481 -13.274 -13.981 1.00 0.55 C ATOM 1712 CG HIS A 102 10.833 -13.283 -14.620 1.00 1.07 C ATOM 1713 ND1 HIS A 102 11.053 -13.679 -15.922 1.00 1.95 N ATOM 1714 CD2 HIS A 102 12.046 -12.961 -14.115 1.00 1.39 C ATOM 1715 CE1 HIS A 102 12.342 -13.598 -16.189 1.00 2.48 C ATOM 1716 NE2 HIS A 102 12.966 -13.164 -15.112 1.00 2.14 N ATOM 0 H HIS A 102 7.310 -12.845 -12.849 1.00 0.51 H new ATOM 0 HA HIS A 102 9.432 -11.147 -13.829 1.00 0.53 H new ATOM 0 HB2 HIS A 102 9.590 -13.530 -12.927 1.00 0.55 H new ATOM 0 HB3 HIS A 102 8.873 -14.055 -14.437 1.00 0.55 H new ATOM 0 HD2 HIS A 102 12.251 -12.610 -13.115 1.00 1.39 H new ATOM 0 HE1 HIS A 102 12.808 -13.846 -17.131 1.00 2.48 H new ATOM 0 HE2 HIS A 102 13.970 -13.005 -15.033 1.00 2.14 H new ATOM 1725 N ALA A 103 7.138 -12.473 -15.804 1.00 0.58 N ATOM 1726 CA ALA A 103 6.614 -12.618 -17.159 1.00 0.61 C ATOM 1727 C ALA A 103 6.114 -11.306 -17.769 1.00 0.61 C ATOM 1728 O ALA A 103 5.763 -11.266 -18.950 1.00 0.64 O ATOM 1729 CB ALA A 103 5.490 -13.636 -17.134 1.00 0.63 C ATOM 0 H ALA A 103 6.598 -12.981 -15.104 1.00 0.58 H new ATOM 0 HA ALA A 103 7.437 -12.949 -17.793 1.00 0.61 H new ATOM 0 HB1 ALA A 103 5.086 -13.757 -18.139 1.00 0.63 H new ATOM 0 HB2 ALA A 103 5.873 -14.593 -16.779 1.00 0.63 H new ATOM 0 HB3 ALA A 103 4.701 -13.291 -16.465 1.00 0.63 H new ATOM 1735 N VAL A 104 6.069 -10.243 -16.988 1.00 0.60 N ATOM 1736 CA VAL A 104 5.542 -8.992 -17.450 1.00 0.63 C ATOM 1737 C VAL A 104 6.617 -8.180 -18.177 1.00 0.76 C ATOM 1738 O VAL A 104 7.797 -8.235 -17.835 1.00 1.68 O ATOM 1739 CB VAL A 104 4.944 -8.231 -16.259 1.00 0.57 C ATOM 1740 CG1 VAL A 104 5.923 -8.207 -15.120 1.00 0.60 C ATOM 1741 CG2 VAL A 104 4.516 -6.823 -16.635 1.00 0.51 C ATOM 0 H VAL A 104 6.397 -10.231 -16.022 1.00 0.60 H new ATOM 0 HA VAL A 104 4.749 -9.171 -18.176 1.00 0.63 H new ATOM 0 HB VAL A 104 4.045 -8.760 -15.945 1.00 0.57 H new ATOM 0 HG11 VAL A 104 5.490 -7.665 -14.279 1.00 0.60 H new ATOM 0 HG12 VAL A 104 6.151 -9.228 -14.815 1.00 0.60 H new ATOM 0 HG13 VAL A 104 6.840 -7.710 -15.438 1.00 0.60 H new ATOM 0 HG21 VAL A 104 4.099 -6.324 -15.760 1.00 0.51 H new ATOM 0 HG22 VAL A 104 5.380 -6.264 -16.995 1.00 0.51 H new ATOM 0 HG23 VAL A 104 3.761 -6.870 -17.420 1.00 0.51 H new ATOM 1751 N THR A 105 6.185 -7.438 -19.185 1.00 0.77 N ATOM 1752 CA THR A 105 7.129 -6.710 -20.026 1.00 0.79 C ATOM 1753 C THR A 105 6.633 -5.322 -20.418 1.00 0.75 C ATOM 1754 O THR A 105 7.335 -4.594 -21.116 1.00 0.95 O ATOM 1755 CB THR A 105 7.440 -7.505 -21.311 1.00 0.94 C ATOM 1756 OG1 THR A 105 6.222 -8.016 -21.872 1.00 0.88 O ATOM 1757 CG2 THR A 105 8.400 -8.655 -21.038 1.00 1.03 C ATOM 0 H THR A 105 5.204 -7.323 -19.440 1.00 0.77 H new ATOM 0 HA THR A 105 8.030 -6.588 -19.425 1.00 0.79 H new ATOM 0 HB THR A 105 7.918 -6.827 -22.018 1.00 0.94 H new ATOM 0 HG1 THR A 105 6.424 -8.519 -22.689 1.00 0.88 H new ATOM 0 HG21 THR A 105 8.597 -9.193 -21.965 1.00 1.03 H new ATOM 0 HG22 THR A 105 9.336 -8.261 -20.642 1.00 1.03 H new ATOM 0 HG23 THR A 105 7.956 -9.335 -20.311 1.00 1.03 H new ATOM 1765 N ASP A 106 5.457 -4.927 -19.962 1.00 0.77 N ATOM 1766 CA ASP A 106 5.002 -3.564 -20.186 1.00 0.79 C ATOM 1767 C ASP A 106 5.607 -2.617 -19.164 1.00 0.73 C ATOM 1768 O ASP A 106 5.507 -2.840 -17.955 1.00 0.72 O ATOM 1769 CB ASP A 106 3.479 -3.484 -20.097 1.00 0.79 C ATOM 1770 CG ASP A 106 2.959 -2.068 -20.275 1.00 1.35 C ATOM 1771 OD1 ASP A 106 2.954 -1.297 -19.292 1.00 2.07 O ATOM 1772 OD2 ASP A 106 2.540 -1.725 -21.399 1.00 1.38 O ATOM 0 H ASP A 106 4.808 -5.519 -19.443 1.00 0.77 H new ATOM 0 HA ASP A 106 5.324 -3.269 -21.185 1.00 0.79 H new ATOM 0 HB2 ASP A 106 3.040 -4.127 -20.859 1.00 0.79 H new ATOM 0 HB3 ASP A 106 3.154 -3.868 -19.130 1.00 0.79 H new ATOM 1777 N GLU A 107 6.266 -1.587 -19.680 1.00 0.71 N ATOM 1778 CA GLU A 107 7.145 -0.731 -18.891 1.00 0.69 C ATOM 1779 C GLU A 107 6.484 -0.183 -17.626 1.00 0.66 C ATOM 1780 O GLU A 107 7.000 -0.373 -16.527 1.00 0.63 O ATOM 1781 CB GLU A 107 7.688 0.419 -19.753 1.00 0.73 C ATOM 1782 CG GLU A 107 6.612 1.243 -20.446 1.00 1.63 C ATOM 1783 CD GLU A 107 7.179 2.433 -21.183 1.00 2.35 C ATOM 1784 OE1 GLU A 107 7.467 3.459 -20.534 1.00 3.18 O ATOM 1785 OE2 GLU A 107 7.334 2.354 -22.420 1.00 2.65 O ATOM 0 H GLU A 107 6.206 -1.320 -20.663 1.00 0.71 H new ATOM 0 HA GLU A 107 7.970 -1.361 -18.559 1.00 0.69 H new ATOM 0 HB2 GLU A 107 8.286 1.079 -19.124 1.00 0.73 H new ATOM 0 HB3 GLU A 107 8.357 0.007 -20.509 1.00 0.73 H new ATOM 0 HG2 GLU A 107 6.070 0.610 -21.148 1.00 1.63 H new ATOM 0 HG3 GLU A 107 5.890 1.588 -19.706 1.00 1.63 H new ATOM 1792 N GLU A 108 5.342 0.475 -17.794 1.00 0.67 N ATOM 1793 CA GLU A 108 4.613 1.062 -16.674 1.00 0.66 C ATOM 1794 C GLU A 108 4.243 -0.002 -15.648 1.00 0.58 C ATOM 1795 O GLU A 108 4.368 0.218 -14.444 1.00 0.54 O ATOM 1796 CB GLU A 108 3.351 1.774 -17.160 1.00 0.76 C ATOM 1797 CG GLU A 108 3.628 3.037 -17.955 1.00 1.46 C ATOM 1798 CD GLU A 108 4.278 4.123 -17.123 1.00 2.09 C ATOM 1799 OE1 GLU A 108 3.548 4.883 -16.452 1.00 2.40 O ATOM 1800 OE2 GLU A 108 5.523 4.227 -17.137 1.00 2.78 O ATOM 0 H GLU A 108 4.898 0.616 -18.701 1.00 0.67 H new ATOM 0 HA GLU A 108 5.268 1.793 -16.200 1.00 0.66 H new ATOM 0 HB2 GLU A 108 2.772 1.087 -17.777 1.00 0.76 H new ATOM 0 HB3 GLU A 108 2.733 2.026 -16.298 1.00 0.76 H new ATOM 0 HG2 GLU A 108 4.275 2.796 -18.798 1.00 1.46 H new ATOM 0 HG3 GLU A 108 2.692 3.413 -18.368 1.00 1.46 H new ATOM 1807 N LYS A 109 3.794 -1.158 -16.124 1.00 0.59 N ATOM 1808 CA LYS A 109 3.435 -2.261 -15.249 1.00 0.55 C ATOM 1809 C LYS A 109 4.638 -2.726 -14.423 1.00 0.51 C ATOM 1810 O LYS A 109 4.507 -3.057 -13.241 1.00 0.48 O ATOM 1811 CB LYS A 109 2.816 -3.394 -16.081 1.00 0.58 C ATOM 1812 CG LYS A 109 1.348 -3.125 -16.414 1.00 0.65 C ATOM 1813 CD LYS A 109 0.868 -3.832 -17.679 1.00 1.22 C ATOM 1814 CE LYS A 109 1.010 -5.342 -17.589 1.00 1.11 C ATOM 1815 NZ LYS A 109 0.392 -6.033 -18.751 1.00 1.81 N ATOM 0 H LYS A 109 3.670 -1.353 -17.117 1.00 0.59 H new ATOM 0 HA LYS A 109 2.687 -1.926 -14.531 1.00 0.55 H new ATOM 0 HB2 LYS A 109 3.381 -3.515 -17.005 1.00 0.58 H new ATOM 0 HB3 LYS A 109 2.897 -4.332 -15.532 1.00 0.58 H new ATOM 0 HG2 LYS A 109 0.730 -3.442 -15.574 1.00 0.65 H new ATOM 0 HG3 LYS A 109 1.202 -2.051 -16.530 1.00 0.65 H new ATOM 0 HD2 LYS A 109 -0.177 -3.578 -17.859 1.00 1.22 H new ATOM 0 HD3 LYS A 109 1.437 -3.467 -18.534 1.00 1.22 H new ATOM 0 HE2 LYS A 109 2.067 -5.603 -17.533 1.00 1.11 H new ATOM 0 HE3 LYS A 109 0.545 -5.695 -16.669 1.00 1.11 H new ATOM 0 HZ1 LYS A 109 0.512 -7.061 -18.648 1.00 1.81 H new ATOM 0 HZ2 LYS A 109 -0.622 -5.805 -18.791 1.00 1.81 H new ATOM 0 HZ3 LYS A 109 0.853 -5.717 -19.628 1.00 1.81 H new ATOM 1829 N LYS A 110 5.820 -2.689 -15.017 1.00 0.53 N ATOM 1830 CA LYS A 110 7.029 -3.084 -14.305 1.00 0.53 C ATOM 1831 C LYS A 110 7.583 -1.932 -13.464 1.00 0.51 C ATOM 1832 O LYS A 110 8.403 -2.135 -12.569 1.00 0.51 O ATOM 1833 CB LYS A 110 8.109 -3.555 -15.281 1.00 0.56 C ATOM 1834 CG LYS A 110 7.687 -4.721 -16.160 1.00 0.62 C ATOM 1835 CD LYS A 110 8.874 -5.314 -16.906 1.00 0.80 C ATOM 1836 CE LYS A 110 9.469 -4.334 -17.905 1.00 0.81 C ATOM 1837 NZ LYS A 110 10.668 -4.891 -18.583 1.00 1.14 N ATOM 0 H LYS A 110 5.970 -2.393 -15.981 1.00 0.53 H new ATOM 0 HA LYS A 110 6.755 -3.906 -13.643 1.00 0.53 H new ATOM 0 HB2 LYS A 110 8.397 -2.719 -15.919 1.00 0.56 H new ATOM 0 HB3 LYS A 110 8.995 -3.843 -14.715 1.00 0.56 H new ATOM 0 HG2 LYS A 110 7.220 -5.491 -15.546 1.00 0.62 H new ATOM 0 HG3 LYS A 110 6.936 -4.386 -16.876 1.00 0.62 H new ATOM 0 HD2 LYS A 110 9.640 -5.611 -16.190 1.00 0.80 H new ATOM 0 HD3 LYS A 110 8.559 -6.217 -17.428 1.00 0.80 H new ATOM 0 HE2 LYS A 110 8.718 -4.076 -18.651 1.00 0.81 H new ATOM 0 HE3 LYS A 110 9.739 -3.411 -17.391 1.00 0.81 H new ATOM 0 HZ1 LYS A 110 11.043 -4.192 -19.255 1.00 1.14 H new ATOM 0 HZ2 LYS A 110 11.395 -5.114 -17.874 1.00 1.14 H new ATOM 0 HZ3 LYS A 110 10.406 -5.758 -19.095 1.00 1.14 H new ATOM 1851 N GLN A 111 7.100 -0.728 -13.752 1.00 0.51 N ATOM 1852 CA GLN A 111 7.370 0.426 -12.896 1.00 0.51 C ATOM 1853 C GLN A 111 6.629 0.278 -11.573 1.00 0.50 C ATOM 1854 O GLN A 111 7.168 0.573 -10.508 1.00 0.51 O ATOM 1855 CB GLN A 111 6.961 1.731 -13.579 1.00 0.52 C ATOM 1856 CG GLN A 111 7.800 2.069 -14.798 1.00 1.08 C ATOM 1857 CD GLN A 111 9.273 2.171 -14.474 1.00 1.23 C ATOM 1858 OE1 GLN A 111 9.775 3.240 -14.123 1.00 1.69 O ATOM 1859 NE2 GLN A 111 9.984 1.064 -14.602 1.00 1.61 N ATOM 0 H GLN A 111 6.522 -0.524 -14.567 1.00 0.51 H new ATOM 0 HA GLN A 111 8.443 0.463 -12.709 1.00 0.51 H new ATOM 0 HB2 GLN A 111 5.915 1.663 -13.876 1.00 0.52 H new ATOM 0 HB3 GLN A 111 7.036 2.547 -12.860 1.00 0.52 H new ATOM 0 HG2 GLN A 111 7.651 1.305 -15.561 1.00 1.08 H new ATOM 0 HG3 GLN A 111 7.458 3.014 -15.221 1.00 1.08 H new ATOM 0 HE21 GLN A 111 9.531 0.198 -14.895 1.00 1.61 H new ATOM 0 HE22 GLN A 111 10.985 1.076 -14.408 1.00 1.61 H new ATOM 1868 N TYR A 112 5.399 -0.219 -11.648 1.00 0.50 N ATOM 1869 CA TYR A 112 4.615 -0.489 -10.449 1.00 0.49 C ATOM 1870 C TYR A 112 5.270 -1.602 -9.656 1.00 0.49 C ATOM 1871 O TYR A 112 5.265 -1.591 -8.430 1.00 0.50 O ATOM 1872 CB TYR A 112 3.181 -0.875 -10.811 1.00 0.49 C ATOM 1873 CG TYR A 112 2.382 0.244 -11.445 1.00 0.57 C ATOM 1874 CD1 TYR A 112 2.323 1.501 -10.860 1.00 0.70 C ATOM 1875 CD2 TYR A 112 1.686 0.039 -12.628 1.00 0.66 C ATOM 1876 CE1 TYR A 112 1.593 2.523 -11.439 1.00 0.82 C ATOM 1877 CE2 TYR A 112 0.955 1.051 -13.214 1.00 0.75 C ATOM 1878 CZ TYR A 112 0.912 2.291 -12.615 1.00 0.80 C ATOM 1879 OH TYR A 112 0.187 3.308 -13.193 1.00 0.92 O ATOM 0 H TYR A 112 4.925 -0.442 -12.523 1.00 0.50 H new ATOM 0 HA TYR A 112 4.579 0.417 -9.844 1.00 0.49 H new ATOM 0 HB2 TYR A 112 3.206 -1.723 -11.496 1.00 0.49 H new ATOM 0 HB3 TYR A 112 2.667 -1.209 -9.909 1.00 0.49 H new ATOM 0 HD1 TYR A 112 2.855 1.684 -9.938 1.00 0.70 H new ATOM 0 HD2 TYR A 112 1.717 -0.932 -13.099 1.00 0.66 H new ATOM 0 HE1 TYR A 112 1.557 3.497 -10.973 1.00 0.82 H new ATOM 0 HE2 TYR A 112 0.420 0.873 -14.135 1.00 0.75 H new ATOM 0 HH TYR A 112 -0.233 2.983 -14.017 1.00 0.92 H new ATOM 1889 N ILE A 113 5.847 -2.556 -10.369 1.00 0.49 N ATOM 1890 CA ILE A 113 6.567 -3.652 -9.739 1.00 0.51 C ATOM 1891 C ILE A 113 7.808 -3.166 -8.971 1.00 0.53 C ATOM 1892 O ILE A 113 8.149 -3.717 -7.925 1.00 0.54 O ATOM 1893 CB ILE A 113 6.967 -4.709 -10.781 1.00 0.57 C ATOM 1894 CG1 ILE A 113 5.703 -5.356 -11.340 1.00 0.63 C ATOM 1895 CG2 ILE A 113 7.890 -5.757 -10.177 1.00 0.59 C ATOM 1896 CD1 ILE A 113 5.974 -6.411 -12.374 1.00 0.72 C ATOM 0 H ILE A 113 5.831 -2.594 -11.388 1.00 0.49 H new ATOM 0 HA ILE A 113 5.889 -4.104 -9.015 1.00 0.51 H new ATOM 0 HB ILE A 113 7.516 -4.225 -11.588 1.00 0.57 H new ATOM 0 HG12 ILE A 113 5.139 -5.800 -10.520 1.00 0.63 H new ATOM 0 HG13 ILE A 113 5.073 -4.583 -11.779 1.00 0.63 H new ATOM 0 HG21 ILE A 113 8.155 -6.490 -10.938 1.00 0.59 H new ATOM 0 HG22 ILE A 113 8.795 -5.275 -9.807 1.00 0.59 H new ATOM 0 HG23 ILE A 113 7.382 -6.257 -9.353 1.00 0.59 H new ATOM 0 HD11 ILE A 113 5.030 -6.827 -12.726 1.00 0.72 H new ATOM 0 HD12 ILE A 113 6.511 -5.969 -13.213 1.00 0.72 H new ATOM 0 HD13 ILE A 113 6.578 -7.205 -11.934 1.00 0.72 H new ATOM 1908 N ALA A 114 8.478 -2.138 -9.481 1.00 0.56 N ATOM 1909 CA ALA A 114 9.663 -1.594 -8.809 1.00 0.59 C ATOM 1910 C ALA A 114 9.257 -0.682 -7.651 1.00 0.59 C ATOM 1911 O ALA A 114 9.824 -0.762 -6.563 1.00 0.60 O ATOM 1912 CB ALA A 114 10.542 -0.843 -9.800 1.00 0.63 C ATOM 0 H ALA A 114 8.227 -1.665 -10.349 1.00 0.56 H new ATOM 0 HA ALA A 114 10.237 -2.426 -8.402 1.00 0.59 H new ATOM 0 HB1 ALA A 114 11.416 -0.447 -9.283 1.00 0.63 H new ATOM 0 HB2 ALA A 114 10.864 -1.523 -10.589 1.00 0.63 H new ATOM 0 HB3 ALA A 114 9.976 -0.021 -10.238 1.00 0.63 H new ATOM 1918 N ASP A 115 8.278 0.175 -7.888 1.00 0.61 N ATOM 1919 CA ASP A 115 7.860 1.132 -6.866 1.00 0.66 C ATOM 1920 C ASP A 115 7.030 0.464 -5.782 1.00 0.60 C ATOM 1921 O ASP A 115 7.378 0.488 -4.601 1.00 0.59 O ATOM 1922 CB ASP A 115 7.064 2.286 -7.484 1.00 0.77 C ATOM 1923 CG ASP A 115 7.950 3.295 -8.187 1.00 1.03 C ATOM 1924 OD1 ASP A 115 8.769 3.954 -7.515 1.00 1.20 O ATOM 1925 OD2 ASP A 115 7.823 3.447 -9.421 1.00 1.73 O ATOM 0 H ASP A 115 7.761 0.232 -8.765 1.00 0.61 H new ATOM 0 HA ASP A 115 8.768 1.529 -6.412 1.00 0.66 H new ATOM 0 HB2 ASP A 115 6.342 1.885 -8.195 1.00 0.77 H new ATOM 0 HB3 ASP A 115 6.495 2.790 -6.702 1.00 0.77 H new ATOM 1930 N PHE A 116 5.952 -0.155 -6.207 1.00 0.60 N ATOM 1931 CA PHE A 116 4.955 -0.675 -5.288 1.00 0.60 C ATOM 1932 C PHE A 116 5.125 -2.185 -5.051 1.00 0.56 C ATOM 1933 O PHE A 116 4.719 -2.705 -4.016 1.00 0.55 O ATOM 1934 CB PHE A 116 3.568 -0.305 -5.826 1.00 0.68 C ATOM 1935 CG PHE A 116 2.426 -1.082 -5.257 1.00 0.53 C ATOM 1936 CD1 PHE A 116 2.008 -0.843 -3.962 1.00 1.01 C ATOM 1937 CD2 PHE A 116 1.784 -2.054 -6.003 1.00 1.11 C ATOM 1938 CE1 PHE A 116 0.965 -1.562 -3.417 1.00 1.29 C ATOM 1939 CE2 PHE A 116 0.739 -2.775 -5.465 1.00 1.62 C ATOM 1940 CZ PHE A 116 0.290 -2.521 -4.238 1.00 1.52 C ATOM 0 H PHE A 116 5.739 -0.313 -7.192 1.00 0.60 H new ATOM 0 HA PHE A 116 5.083 -0.222 -4.305 1.00 0.60 H new ATOM 0 HB2 PHE A 116 3.395 0.754 -5.635 1.00 0.68 H new ATOM 0 HB3 PHE A 116 3.571 -0.437 -6.908 1.00 0.68 H new ATOM 0 HD1 PHE A 116 2.503 -0.086 -3.371 1.00 1.01 H new ATOM 0 HD2 PHE A 116 2.104 -2.250 -7.016 1.00 1.11 H new ATOM 0 HE1 PHE A 116 0.664 -1.405 -2.392 1.00 1.29 H new ATOM 0 HE2 PHE A 116 0.278 -3.558 -6.048 1.00 1.62 H new ATOM 0 HZ PHE A 116 -0.581 -3.037 -3.863 1.00 1.52 H new ATOM 1950 N GLY A 117 5.746 -2.870 -6.003 1.00 0.55 N ATOM 1951 CA GLY A 117 5.879 -4.325 -5.945 1.00 0.56 C ATOM 1952 C GLY A 117 6.451 -4.870 -4.633 1.00 0.54 C ATOM 1953 O GLY A 117 5.778 -5.647 -3.948 1.00 0.55 O ATOM 0 H GLY A 117 6.167 -2.442 -6.828 1.00 0.55 H new ATOM 0 HA2 GLY A 117 4.898 -4.771 -6.110 1.00 0.56 H new ATOM 0 HA3 GLY A 117 6.519 -4.649 -6.766 1.00 0.56 H new ATOM 1957 N PRO A 118 7.687 -4.488 -4.243 1.00 0.52 N ATOM 1958 CA PRO A 118 8.345 -5.030 -3.039 1.00 0.53 C ATOM 1959 C PRO A 118 7.571 -4.725 -1.761 1.00 0.46 C ATOM 1960 O PRO A 118 7.692 -5.427 -0.756 1.00 0.45 O ATOM 1961 CB PRO A 118 9.704 -4.322 -3.021 1.00 0.54 C ATOM 1962 CG PRO A 118 9.513 -3.104 -3.855 1.00 0.65 C ATOM 1963 CD PRO A 118 8.541 -3.500 -4.925 1.00 0.53 C ATOM 0 HA PRO A 118 8.416 -6.117 -3.075 1.00 0.53 H new ATOM 0 HB2 PRO A 118 10.001 -4.062 -2.005 1.00 0.54 H new ATOM 0 HB3 PRO A 118 10.488 -4.961 -3.428 1.00 0.54 H new ATOM 0 HG2 PRO A 118 9.126 -2.277 -3.259 1.00 0.65 H new ATOM 0 HG3 PRO A 118 10.457 -2.771 -4.286 1.00 0.65 H new ATOM 0 HD2 PRO A 118 7.965 -2.647 -5.284 1.00 0.53 H new ATOM 0 HD3 PRO A 118 9.045 -3.930 -5.790 1.00 0.53 H new ATOM 1971 N ALA A 119 6.773 -3.677 -1.816 1.00 0.46 N ATOM 1972 CA ALA A 119 5.964 -3.259 -0.687 1.00 0.42 C ATOM 1973 C ALA A 119 4.615 -3.959 -0.688 1.00 0.44 C ATOM 1974 O ALA A 119 4.071 -4.282 0.367 1.00 0.43 O ATOM 1975 CB ALA A 119 5.757 -1.759 -0.738 1.00 0.41 C ATOM 0 H ALA A 119 6.667 -3.091 -2.644 1.00 0.46 H new ATOM 0 HA ALA A 119 6.489 -3.531 0.228 1.00 0.42 H new ATOM 0 HB1 ALA A 119 5.149 -1.447 0.111 1.00 0.41 H new ATOM 0 HB2 ALA A 119 6.723 -1.257 -0.697 1.00 0.41 H new ATOM 0 HB3 ALA A 119 5.249 -1.493 -1.665 1.00 0.41 H new ATOM 1981 N CYS A 120 4.108 -4.239 -1.878 1.00 0.47 N ATOM 1982 CA CYS A 120 2.928 -5.073 -2.038 1.00 0.50 C ATOM 1983 C CYS A 120 3.175 -6.465 -1.454 1.00 0.52 C ATOM 1984 O CYS A 120 2.250 -7.135 -1.002 1.00 0.53 O ATOM 1985 CB CYS A 120 2.561 -5.185 -3.515 1.00 0.56 C ATOM 1986 SG CYS A 120 1.100 -6.217 -3.843 1.00 1.17 S ATOM 0 H CYS A 120 4.500 -3.897 -2.755 1.00 0.47 H new ATOM 0 HA CYS A 120 2.100 -4.610 -1.500 1.00 0.50 H new ATOM 0 HB2 CYS A 120 2.382 -4.185 -3.910 1.00 0.56 H new ATOM 0 HB3 CYS A 120 3.412 -5.595 -4.059 1.00 0.56 H new ATOM 1991 N LYS A 121 4.435 -6.887 -1.462 1.00 0.54 N ATOM 1992 CA LYS A 121 4.822 -8.176 -0.895 1.00 0.58 C ATOM 1993 C LYS A 121 4.468 -8.276 0.590 1.00 0.59 C ATOM 1994 O LYS A 121 3.843 -9.248 1.011 1.00 0.65 O ATOM 1995 CB LYS A 121 6.316 -8.420 -1.102 1.00 0.63 C ATOM 1996 CG LYS A 121 6.630 -9.385 -2.233 1.00 1.01 C ATOM 1997 CD LYS A 121 6.028 -8.931 -3.552 1.00 1.04 C ATOM 1998 CE LYS A 121 6.301 -9.941 -4.651 1.00 1.37 C ATOM 1999 NZ LYS A 121 7.744 -10.011 -4.996 1.00 1.47 N ATOM 0 H LYS A 121 5.209 -6.353 -1.857 1.00 0.54 H new ATOM 0 HA LYS A 121 4.257 -8.947 -1.419 1.00 0.58 H new ATOM 0 HB2 LYS A 121 6.805 -7.467 -1.304 1.00 0.63 H new ATOM 0 HB3 LYS A 121 6.743 -8.808 -0.177 1.00 0.63 H new ATOM 0 HG2 LYS A 121 7.711 -9.478 -2.341 1.00 1.01 H new ATOM 0 HG3 LYS A 121 6.248 -10.375 -1.982 1.00 1.01 H new ATOM 0 HD2 LYS A 121 4.953 -8.795 -3.437 1.00 1.04 H new ATOM 0 HD3 LYS A 121 6.444 -7.963 -3.831 1.00 1.04 H new ATOM 0 HE2 LYS A 121 5.956 -10.925 -4.333 1.00 1.37 H new ATOM 0 HE3 LYS A 121 5.728 -9.674 -5.539 1.00 1.37 H new ATOM 0 HZ1 LYS A 121 7.864 -9.864 -6.019 1.00 1.47 H new ATOM 0 HZ2 LYS A 121 8.261 -9.273 -4.477 1.00 1.47 H new ATOM 0 HZ3 LYS A 121 8.119 -10.945 -4.734 1.00 1.47 H new ATOM 2013 N LYS A 122 4.901 -7.300 1.391 1.00 0.54 N ATOM 2014 CA LYS A 122 4.519 -7.277 2.807 1.00 0.55 C ATOM 2015 C LYS A 122 3.010 -7.045 2.915 1.00 0.53 C ATOM 2016 O LYS A 122 2.385 -7.439 3.900 1.00 0.57 O ATOM 2017 CB LYS A 122 5.314 -6.224 3.589 1.00 0.52 C ATOM 2018 CG LYS A 122 5.008 -4.785 3.213 1.00 0.46 C ATOM 2019 CD LYS A 122 6.014 -3.804 3.811 1.00 0.47 C ATOM 2020 CE LYS A 122 6.053 -3.847 5.338 1.00 1.15 C ATOM 2021 NZ LYS A 122 6.908 -4.950 5.859 1.00 1.50 N ATOM 0 H LYS A 122 5.502 -6.531 1.094 1.00 0.54 H new ATOM 0 HA LYS A 122 4.761 -8.239 3.257 1.00 0.55 H new ATOM 0 HB2 LYS A 122 5.117 -6.356 4.653 1.00 0.52 H new ATOM 0 HB3 LYS A 122 6.378 -6.406 3.437 1.00 0.52 H new ATOM 0 HG2 LYS A 122 5.010 -4.687 2.127 1.00 0.46 H new ATOM 0 HG3 LYS A 122 4.005 -4.528 3.555 1.00 0.46 H new ATOM 0 HD2 LYS A 122 7.007 -4.027 3.421 1.00 0.47 H new ATOM 0 HD3 LYS A 122 5.764 -2.793 3.488 1.00 0.47 H new ATOM 0 HE2 LYS A 122 6.426 -2.895 5.715 1.00 1.15 H new ATOM 0 HE3 LYS A 122 5.039 -3.967 5.720 1.00 1.15 H new ATOM 0 HZ1 LYS A 122 6.310 -5.661 6.327 1.00 1.50 H new ATOM 0 HZ2 LYS A 122 7.421 -5.394 5.071 1.00 1.50 H new ATOM 0 HZ3 LYS A 122 7.590 -4.566 6.544 1.00 1.50 H new ATOM 2035 N ILE A 123 2.434 -6.381 1.923 1.00 0.49 N ATOM 2036 CA ILE A 123 1.004 -6.102 1.924 1.00 0.48 C ATOM 2037 C ILE A 123 0.158 -7.375 1.845 1.00 0.51 C ATOM 2038 O ILE A 123 -0.775 -7.608 2.611 1.00 0.54 O ATOM 2039 CB ILE A 123 0.613 -5.149 0.786 1.00 0.46 C ATOM 2040 CG1 ILE A 123 1.156 -3.753 1.085 1.00 0.44 C ATOM 2041 CG2 ILE A 123 -0.901 -5.117 0.607 1.00 0.47 C ATOM 2042 CD1 ILE A 123 0.883 -2.751 -0.005 1.00 0.44 C ATOM 0 H ILE A 123 2.934 -6.026 1.108 1.00 0.49 H new ATOM 0 HA ILE A 123 0.795 -5.618 2.878 1.00 0.48 H new ATOM 0 HB ILE A 123 1.049 -5.506 -0.147 1.00 0.46 H new ATOM 0 HG12 ILE A 123 0.716 -3.393 2.015 1.00 0.44 H new ATOM 0 HG13 ILE A 123 2.232 -3.818 1.245 1.00 0.44 H new ATOM 0 HG21 ILE A 123 -1.157 -4.436 -0.204 1.00 0.47 H new ATOM 0 HG22 ILE A 123 -1.260 -6.118 0.367 1.00 0.47 H new ATOM 0 HG23 ILE A 123 -1.369 -4.775 1.530 1.00 0.47 H new ATOM 0 HD11 ILE A 123 1.298 -1.784 0.278 1.00 0.44 H new ATOM 0 HD12 ILE A 123 1.346 -3.087 -0.933 1.00 0.44 H new ATOM 0 HD13 ILE A 123 -0.193 -2.656 -0.151 1.00 0.44 H new ATOM 2054 N TYR A 124 0.575 -8.199 0.890 1.00 0.52 N ATOM 2055 CA TYR A 124 0.099 -9.561 0.676 1.00 0.58 C ATOM 2056 C TYR A 124 0.795 -10.540 1.617 1.00 0.64 C ATOM 2057 O TYR A 124 0.751 -11.740 1.385 1.00 0.82 O ATOM 2058 CB TYR A 124 0.299 -9.991 -0.778 1.00 0.59 C ATOM 2059 CG TYR A 124 -0.965 -9.908 -1.603 1.00 0.63 C ATOM 2060 CD1 TYR A 124 -1.449 -8.681 -2.038 1.00 0.95 C ATOM 2061 CD2 TYR A 124 -1.665 -11.051 -1.955 1.00 1.14 C ATOM 2062 CE1 TYR A 124 -2.598 -8.595 -2.800 1.00 1.05 C ATOM 2063 CE2 TYR A 124 -2.816 -10.975 -2.718 1.00 1.28 C ATOM 2064 CZ TYR A 124 -3.300 -9.762 -3.104 1.00 0.95 C ATOM 2065 OH TYR A 124 -4.425 -9.672 -3.895 1.00 1.17 O ATOM 0 H TYR A 124 1.286 -7.923 0.213 1.00 0.52 H new ATOM 0 HA TYR A 124 -0.969 -9.574 0.895 1.00 0.58 H new ATOM 0 HB2 TYR A 124 1.064 -9.363 -1.234 1.00 0.59 H new ATOM 0 HB3 TYR A 124 0.672 -11.015 -0.799 1.00 0.59 H new ATOM 0 HD1 TYR A 124 -0.918 -7.778 -1.776 1.00 0.95 H new ATOM 0 HD2 TYR A 124 -1.306 -12.016 -1.629 1.00 1.14 H new ATOM 0 HE1 TYR A 124 -2.948 -7.637 -3.156 1.00 1.05 H new ATOM 0 HE2 TYR A 124 -3.332 -11.879 -3.008 1.00 1.28 H new ATOM 0 HH TYR A 124 -4.808 -10.565 -4.022 1.00 1.17 H new ATOM 2075 N GLY A 125 1.269 -9.994 2.743 1.00 0.73 N ATOM 2076 CA GLY A 125 2.436 -10.420 3.549 1.00 0.86 C ATOM 2077 C GLY A 125 3.054 -11.793 3.316 1.00 0.71 C ATOM 2078 O GLY A 125 3.522 -12.431 4.261 1.00 0.78 O ATOM 0 H GLY A 125 0.816 -9.177 3.153 1.00 0.73 H new ATOM 0 HA2 GLY A 125 3.222 -9.680 3.400 1.00 0.86 H new ATOM 0 HA3 GLY A 125 2.144 -10.368 4.598 1.00 0.86 H new ATOM 2082 N VAL A 126 3.020 -12.263 2.086 1.00 0.71 N ATOM 2083 CA VAL A 126 3.842 -13.390 1.653 1.00 0.84 C ATOM 2084 C VAL A 126 5.301 -13.176 2.071 1.00 0.99 C ATOM 2085 O VAL A 126 6.026 -14.127 2.365 1.00 1.53 O ATOM 2086 CB VAL A 126 3.778 -13.572 0.116 1.00 0.93 C ATOM 2087 CG1 VAL A 126 2.379 -13.962 -0.327 1.00 1.38 C ATOM 2088 CG2 VAL A 126 4.218 -12.302 -0.596 1.00 0.98 C ATOM 0 H VAL A 126 2.424 -11.879 1.353 1.00 0.71 H new ATOM 0 HA VAL A 126 3.449 -14.287 2.131 1.00 0.84 H new ATOM 0 HB VAL A 126 4.462 -14.377 -0.153 1.00 0.93 H new ATOM 0 HG11 VAL A 126 2.361 -14.084 -1.410 1.00 1.38 H new ATOM 0 HG12 VAL A 126 2.095 -14.901 0.148 1.00 1.38 H new ATOM 0 HG13 VAL A 126 1.675 -13.182 -0.038 1.00 1.38 H new ATOM 0 HG21 VAL A 126 4.165 -12.452 -1.674 1.00 0.98 H new ATOM 0 HG22 VAL A 126 3.562 -11.480 -0.312 1.00 0.98 H new ATOM 0 HG23 VAL A 126 5.243 -12.063 -0.313 1.00 0.98 H new