USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 685 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 61 GLN : amide:sc= -1.36 K(o=-2.4,f=2) USER MOD Set 1.2: A 63 TYR OH : rot 165:sc= -1.06 USER MOD Set 2.1: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 55 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Set 3.1: A 27 THR OG1 : rot 180:sc= 0.0195 USER MOD Set 3.2: A 102 ASN : amide:sc= -2.26 K(o=-2.2,f=-5.1!) USER MOD Single : A 25 GLN : amide:sc= -3.38 K(o=-3.4,f=-9.3!) USER MOD Single : A 32 SER OG : rot 79:sc= 0.595 USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= -0.778 (180deg=-1.53!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.31) USER MOD Single : A 41 LYS NZ :NH3+ -174:sc= 1.08 (180deg=1.06) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 46 MET CE :methyl 134:sc= -4.44! (180deg=-6.63!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= -2.31! X(o=-2.3!,f=-2) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.657 USER MOD Single : A 58 MET CE :methyl 170:sc= -0.835 (180deg=-0.973) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -5.26 K(o=-5.3,f=-9.5!) USER MOD Single : A 68 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.0062) USER MOD Single : A 69 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-2) USER MOD Single : A 72 HIS : no HD1:sc= -2.55 X(o=-2.5,f=-2.4) USER MOD Single : A 73 CYS SG : rot -121:sc= -3.73! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.5!) USER MOD Single : A 85 GLN : amide:sc= -1.67 K(o=-1.7,f=-5.2!) USER MOD Single : A 88 SER OG : rot 180:sc= 0.00823 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 96 TYR OH : rot 30:sc= -0.933 USER MOD Single : A 98 MET CE :methyl 173:sc= -2.24 (180deg=-2.68) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N LEU A 23 -8.252 10.098 2.031 1.00 1.00 N ATOM 157 CA LEU A 23 -8.036 9.198 0.904 1.00 1.00 C ATOM 158 C LEU A 23 -6.632 9.360 0.333 1.00 1.00 C ATOM 159 O LEU A 23 -6.011 10.416 0.465 1.00 1.00 O ATOM 160 CB LEU A 23 -9.075 9.449 -0.193 1.00 1.00 C ATOM 161 CG LEU A 23 -10.481 9.801 0.306 1.00 1.00 C ATOM 162 CD1 LEU A 23 -10.942 11.127 -0.282 1.00 1.00 C ATOM 163 CD2 LEU A 23 -11.466 8.693 -0.040 1.00 1.00 C ATOM 0 HA LEU A 23 -8.145 8.177 1.270 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -8.719 10.260 -0.829 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -9.141 8.559 -0.818 1.00 1.00 H new ATOM 0 HG LEU A 23 -10.443 9.901 1.391 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -11.942 11.359 0.084 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -10.253 11.917 0.018 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -10.961 11.056 -1.369 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -12.458 8.962 0.323 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -11.499 8.560 -1.121 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -11.147 7.763 0.431 1.00 1.00 H new ATOM 175 N VAL A 24 -6.142 8.306 -0.309 1.00 1.00 N ATOM 176 CA VAL A 24 -4.816 8.325 -0.914 1.00 1.00 C ATOM 177 C VAL A 24 -4.923 8.211 -2.433 1.00 1.00 C ATOM 178 O VAL A 24 -5.962 7.810 -2.956 1.00 1.00 O ATOM 179 CB VAL A 24 -3.920 7.189 -0.371 1.00 1.00 C ATOM 180 CG1 VAL A 24 -3.177 7.650 0.874 1.00 1.00 C ATOM 181 CG2 VAL A 24 -4.738 5.938 -0.074 1.00 1.00 C ATOM 0 H VAL A 24 -6.644 7.426 -0.424 1.00 1.00 H new ATOM 0 HA VAL A 24 -4.354 9.276 -0.650 1.00 1.00 H new ATOM 0 HB VAL A 24 -3.190 6.937 -1.140 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -2.550 6.839 1.245 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -2.552 8.508 0.628 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -3.896 7.933 1.643 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -4.081 5.156 0.307 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -5.498 6.169 0.673 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -5.221 5.593 -0.988 1.00 1.00 H new ATOM 191 N GLN A 25 -3.856 8.574 -3.143 1.00 1.00 N ATOM 192 CA GLN A 25 -3.864 8.515 -4.602 1.00 1.00 C ATOM 193 C GLN A 25 -2.673 7.724 -5.137 1.00 1.00 C ATOM 194 O GLN A 25 -1.585 8.272 -5.318 1.00 1.00 O ATOM 195 CB GLN A 25 -3.846 9.929 -5.186 1.00 1.00 C ATOM 196 CG GLN A 25 -4.487 10.039 -6.562 1.00 1.00 C ATOM 197 CD GLN A 25 -4.071 8.921 -7.499 1.00 1.00 C ATOM 198 OE1 GLN A 25 -4.391 7.754 -7.273 1.00 1.00 O ATOM 199 NE2 GLN A 25 -3.353 9.274 -8.559 1.00 1.00 N ATOM 0 H GLN A 25 -2.983 8.909 -2.736 1.00 1.00 H new ATOM 0 HA GLN A 25 -4.777 8.004 -4.908 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -4.363 10.601 -4.501 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -2.813 10.272 -5.249 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -5.572 10.030 -6.454 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -4.219 10.997 -7.007 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -3.110 10.254 -8.707 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -3.044 8.566 -9.225 1.00 1.00 H new ATOM 208 N PRO A 26 -2.864 6.422 -5.411 1.00 1.00 N ATOM 209 CA PRO A 26 -1.802 5.561 -5.941 1.00 1.00 C ATOM 210 C PRO A 26 -1.336 6.016 -7.319 1.00 1.00 C ATOM 211 O PRO A 26 -2.152 6.283 -8.201 1.00 1.00 O ATOM 212 CB PRO A 26 -2.462 4.178 -6.038 1.00 1.00 C ATOM 213 CG PRO A 26 -3.669 4.260 -5.167 1.00 1.00 C ATOM 214 CD PRO A 26 -4.126 5.687 -5.235 1.00 1.00 C ATOM 0 HA PRO A 26 -0.915 5.577 -5.308 1.00 1.00 H new ATOM 0 HB2 PRO A 26 -2.734 3.943 -7.067 1.00 1.00 H new ATOM 0 HB3 PRO A 26 -1.785 3.394 -5.700 1.00 1.00 H new ATOM 0 HG2 PRO A 26 -4.449 3.583 -5.515 1.00 1.00 H new ATOM 0 HG3 PRO A 26 -3.432 3.974 -4.142 1.00 1.00 H new ATOM 0 HD2 PRO A 26 -4.811 5.854 -6.066 1.00 1.00 H new ATOM 0 HD3 PRO A 26 -4.647 5.989 -4.327 1.00 1.00 H new ATOM 222 N THR A 27 -0.021 6.099 -7.504 1.00 1.00 N ATOM 223 CA THR A 27 0.543 6.517 -8.783 1.00 1.00 C ATOM 224 C THR A 27 -0.090 5.737 -9.933 1.00 1.00 C ATOM 225 O THR A 27 -0.695 4.686 -9.719 1.00 1.00 O ATOM 226 CB THR A 27 2.059 6.314 -8.787 1.00 1.00 C ATOM 227 OG1 THR A 27 2.414 5.172 -8.028 1.00 1.00 O ATOM 228 CG2 THR A 27 2.822 7.494 -8.224 1.00 1.00 C ATOM 0 H THR A 27 0.671 5.883 -6.787 1.00 1.00 H new ATOM 0 HA THR A 27 0.327 7.576 -8.921 1.00 1.00 H new ATOM 0 HB THR A 27 2.331 6.192 -9.835 1.00 1.00 H new ATOM 0 HG1 THR A 27 3.387 5.058 -8.044 1.00 1.00 H new ATOM 0 HG21 THR A 27 3.891 7.285 -8.256 1.00 1.00 H new ATOM 0 HG22 THR A 27 2.608 8.382 -8.818 1.00 1.00 H new ATOM 0 HG23 THR A 27 2.517 7.666 -7.192 1.00 1.00 H new ATOM 236 N PRO A 28 0.036 6.239 -11.173 1.00 1.00 N ATOM 237 CA PRO A 28 -0.529 5.582 -12.353 1.00 1.00 C ATOM 238 C PRO A 28 -0.218 4.089 -12.386 1.00 1.00 C ATOM 239 O PRO A 28 -0.986 3.297 -12.933 1.00 1.00 O ATOM 240 CB PRO A 28 0.137 6.302 -13.538 1.00 1.00 C ATOM 241 CG PRO A 28 1.163 7.214 -12.944 1.00 1.00 C ATOM 242 CD PRO A 28 0.735 7.476 -11.529 1.00 1.00 C ATOM 0 HA PRO A 28 -1.617 5.648 -12.368 1.00 1.00 H new ATOM 0 HB2 PRO A 28 0.598 5.587 -14.219 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -0.597 6.864 -14.115 1.00 1.00 H new ATOM 0 HG2 PRO A 28 2.151 6.755 -12.971 1.00 1.00 H new ATOM 0 HG3 PRO A 28 1.228 8.144 -13.508 1.00 1.00 H new ATOM 0 HD2 PRO A 28 1.587 7.663 -10.876 1.00 1.00 H new ATOM 0 HD3 PRO A 28 0.082 8.346 -11.457 1.00 1.00 H new ATOM 250 N LEU A 29 0.909 3.711 -11.791 1.00 1.00 N ATOM 251 CA LEU A 29 1.314 2.311 -11.746 1.00 1.00 C ATOM 252 C LEU A 29 0.431 1.534 -10.775 1.00 1.00 C ATOM 253 O LEU A 29 -0.307 0.634 -11.176 1.00 1.00 O ATOM 254 CB LEU A 29 2.782 2.194 -11.332 1.00 1.00 C ATOM 255 CG LEU A 29 3.312 0.763 -11.211 1.00 1.00 C ATOM 256 CD1 LEU A 29 2.996 -0.034 -12.468 1.00 1.00 C ATOM 257 CD2 LEU A 29 4.810 0.773 -10.948 1.00 1.00 C ATOM 0 H LEU A 29 1.557 4.353 -11.334 1.00 1.00 H new ATOM 0 HA LEU A 29 1.197 1.885 -12.743 1.00 1.00 H new ATOM 0 HB2 LEU A 29 3.392 2.730 -12.059 1.00 1.00 H new ATOM 0 HB3 LEU A 29 2.914 2.696 -10.373 1.00 1.00 H new ATOM 0 HG LEU A 29 2.816 0.282 -10.368 1.00 1.00 H new ATOM 0 HD11 LEU A 29 3.381 -1.048 -12.362 1.00 1.00 H new ATOM 0 HD12 LEU A 29 1.917 -0.069 -12.615 1.00 1.00 H new ATOM 0 HD13 LEU A 29 3.464 0.444 -13.329 1.00 1.00 H new ATOM 0 HD21 LEU A 29 5.172 -0.252 -10.864 1.00 1.00 H new ATOM 0 HD22 LEU A 29 5.321 1.272 -11.772 1.00 1.00 H new ATOM 0 HD23 LEU A 29 5.013 1.306 -10.019 1.00 1.00 H new ATOM 269 N LEU A 30 0.503 1.897 -9.498 1.00 1.00 N ATOM 270 CA LEU A 30 -0.300 1.243 -8.472 1.00 1.00 C ATOM 271 C LEU A 30 -1.786 1.419 -8.771 1.00 1.00 C ATOM 272 O LEU A 30 -2.606 0.562 -8.441 1.00 1.00 O ATOM 273 CB LEU A 30 0.029 1.819 -7.093 1.00 1.00 C ATOM 274 CG LEU A 30 -0.679 1.142 -5.917 1.00 1.00 C ATOM 275 CD1 LEU A 30 -0.513 -0.368 -5.987 1.00 1.00 C ATOM 276 CD2 LEU A 30 -0.145 1.678 -4.596 1.00 1.00 C ATOM 0 H LEU A 30 1.109 2.640 -9.150 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.065 0.179 -8.474 1.00 1.00 H new ATOM 0 HB2 LEU A 30 1.105 1.751 -6.936 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -0.227 2.878 -7.089 1.00 1.00 H new ATOM 0 HG LEU A 30 -1.743 1.371 -5.979 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -1.024 -0.830 -5.142 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -0.943 -0.739 -6.917 1.00 1.00 H new ATOM 0 HD13 LEU A 30 0.547 -0.620 -5.952 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -0.659 1.187 -3.770 1.00 1.00 H new ATOM 0 HD22 LEU A 30 0.925 1.479 -4.528 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -0.318 2.753 -4.543 1.00 1.00 H new ATOM 288 N LEU A 31 -2.118 2.541 -9.402 1.00 1.00 N ATOM 289 CA LEU A 31 -3.498 2.853 -9.759 1.00 1.00 C ATOM 290 C LEU A 31 -4.114 1.739 -10.604 1.00 1.00 C ATOM 291 O LEU A 31 -5.153 1.182 -10.251 1.00 1.00 O ATOM 292 CB LEU A 31 -3.548 4.183 -10.523 1.00 1.00 C ATOM 293 CG LEU A 31 -4.934 4.826 -10.669 1.00 1.00 C ATOM 294 CD1 LEU A 31 -5.648 4.291 -11.900 1.00 1.00 C ATOM 295 CD2 LEU A 31 -5.777 4.601 -9.423 1.00 1.00 C ATOM 0 H LEU A 31 -1.444 3.255 -9.679 1.00 1.00 H new ATOM 0 HA LEU A 31 -4.079 2.940 -8.841 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -2.892 4.893 -10.019 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -3.138 4.022 -11.520 1.00 1.00 H new ATOM 0 HG LEU A 31 -4.793 5.900 -10.791 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -6.628 4.760 -11.984 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -5.060 4.518 -12.789 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -5.769 3.211 -11.810 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -6.753 5.067 -9.555 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -5.905 3.531 -9.259 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -5.277 5.043 -8.561 1.00 1.00 H new ATOM 307 N SER A 32 -3.467 1.422 -11.723 1.00 1.00 N ATOM 308 CA SER A 32 -3.953 0.378 -12.622 1.00 1.00 C ATOM 309 C SER A 32 -4.136 -0.946 -11.887 1.00 1.00 C ATOM 310 O SER A 32 -5.133 -1.640 -12.087 1.00 1.00 O ATOM 311 CB SER A 32 -2.985 0.194 -13.792 1.00 1.00 C ATOM 312 OG SER A 32 -2.687 1.435 -14.408 1.00 1.00 O ATOM 0 H SER A 32 -2.605 1.873 -12.029 1.00 1.00 H new ATOM 0 HA SER A 32 -4.924 0.692 -13.004 1.00 1.00 H new ATOM 0 HB2 SER A 32 -2.065 -0.270 -13.437 1.00 1.00 H new ATOM 0 HB3 SER A 32 -3.421 -0.484 -14.526 1.00 1.00 H new ATOM 0 HG SER A 32 -2.027 1.918 -13.868 1.00 1.00 H new ATOM 318 N LEU A 33 -3.178 -1.298 -11.030 1.00 1.00 N ATOM 319 CA LEU A 33 -3.266 -2.545 -10.273 1.00 1.00 C ATOM 320 C LEU A 33 -4.622 -2.637 -9.581 1.00 1.00 C ATOM 321 O LEU A 33 -5.313 -3.651 -9.678 1.00 1.00 O ATOM 322 CB LEU A 33 -2.140 -2.652 -9.239 1.00 1.00 C ATOM 323 CG LEU A 33 -0.793 -2.064 -9.669 1.00 1.00 C ATOM 324 CD1 LEU A 33 0.279 -2.374 -8.635 1.00 1.00 C ATOM 325 CD2 LEU A 33 -0.387 -2.599 -11.035 1.00 1.00 C ATOM 0 H LEU A 33 -2.342 -0.744 -10.844 1.00 1.00 H new ATOM 0 HA LEU A 33 -3.158 -3.374 -10.973 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -2.460 -2.151 -8.325 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -1.996 -3.704 -8.992 1.00 1.00 H new ATOM 0 HG LEU A 33 -0.899 -0.982 -9.742 1.00 1.00 H new ATOM 0 HD11 LEU A 33 1.229 -1.948 -8.957 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -0.005 -1.942 -7.675 1.00 1.00 H new ATOM 0 HD13 LEU A 33 0.382 -3.454 -8.530 1.00 1.00 H new ATOM 0 HD21 LEU A 33 0.573 -2.170 -11.323 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -0.300 -3.685 -10.989 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -1.143 -2.326 -11.772 1.00 1.00 H new ATOM 337 N LEU A 34 -5.008 -1.557 -8.907 1.00 1.00 N ATOM 338 CA LEU A 34 -6.295 -1.505 -8.229 1.00 1.00 C ATOM 339 C LEU A 34 -7.410 -1.577 -9.260 1.00 1.00 C ATOM 340 O LEU A 34 -8.353 -2.357 -9.129 1.00 1.00 O ATOM 341 CB LEU A 34 -6.422 -0.213 -7.415 1.00 1.00 C ATOM 342 CG LEU A 34 -5.321 0.010 -6.377 1.00 1.00 C ATOM 343 CD1 LEU A 34 -5.483 1.368 -5.712 1.00 1.00 C ATOM 344 CD2 LEU A 34 -5.340 -1.100 -5.339 1.00 1.00 C ATOM 0 H LEU A 34 -4.448 -0.709 -8.817 1.00 1.00 H new ATOM 0 HA LEU A 34 -6.371 -2.352 -7.547 1.00 1.00 H new ATOM 0 HB2 LEU A 34 -6.428 0.632 -8.103 1.00 1.00 H new ATOM 0 HB3 LEU A 34 -7.385 -0.216 -6.905 1.00 1.00 H new ATOM 0 HG LEU A 34 -4.357 -0.009 -6.885 1.00 1.00 H new ATOM 0 HD11 LEU A 34 -4.691 1.510 -4.976 1.00 1.00 H new ATOM 0 HD12 LEU A 34 -5.422 2.152 -6.467 1.00 1.00 H new ATOM 0 HD13 LEU A 34 -6.452 1.417 -5.216 1.00 1.00 H new ATOM 0 HD21 LEU A 34 -4.551 -0.927 -4.607 1.00 1.00 H new ATOM 0 HD22 LEU A 34 -6.306 -1.110 -4.835 1.00 1.00 H new ATOM 0 HD23 LEU A 34 -5.176 -2.060 -5.829 1.00 1.00 H new ATOM 356 N LYS A 35 -7.276 -0.758 -10.296 1.00 1.00 N ATOM 357 CA LYS A 35 -8.247 -0.710 -11.379 1.00 1.00 C ATOM 358 C LYS A 35 -8.586 -2.115 -11.868 1.00 1.00 C ATOM 359 O LYS A 35 -9.742 -2.423 -12.161 1.00 1.00 O ATOM 360 CB LYS A 35 -7.687 0.128 -12.530 1.00 1.00 C ATOM 361 CG LYS A 35 -7.646 1.619 -12.237 1.00 1.00 C ATOM 362 CD LYS A 35 -8.998 2.142 -11.778 1.00 1.00 C ATOM 363 CE LYS A 35 -9.127 3.637 -12.023 1.00 1.00 C ATOM 364 NZ LYS A 35 -8.739 4.009 -13.412 1.00 1.00 N ATOM 0 H LYS A 35 -6.495 -0.112 -10.408 1.00 1.00 H new ATOM 0 HA LYS A 35 -9.163 -0.251 -11.008 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -6.679 -0.216 -12.761 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -8.293 -0.042 -13.420 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -6.899 1.818 -11.468 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -7.333 2.157 -13.132 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -9.792 1.615 -12.307 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -9.129 1.933 -10.716 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -10.155 3.948 -11.838 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -8.499 4.176 -11.314 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -9.074 4.971 -13.620 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -7.704 3.976 -13.504 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -9.168 3.340 -14.083 1.00 1.00 H new ATOM 378 N SER A 36 -7.567 -2.964 -11.948 1.00 1.00 N ATOM 379 CA SER A 36 -7.746 -4.341 -12.394 1.00 1.00 C ATOM 380 C SER A 36 -8.091 -5.256 -11.219 1.00 1.00 C ATOM 381 O SER A 36 -8.678 -6.322 -11.403 1.00 1.00 O ATOM 382 CB SER A 36 -6.480 -4.841 -13.093 1.00 1.00 C ATOM 383 OG SER A 36 -6.783 -5.400 -14.359 1.00 1.00 O ATOM 0 H SER A 36 -6.605 -2.722 -11.709 1.00 1.00 H new ATOM 0 HA SER A 36 -8.575 -4.363 -13.101 1.00 1.00 H new ATOM 0 HB2 SER A 36 -5.778 -4.016 -13.215 1.00 1.00 H new ATOM 0 HB3 SER A 36 -5.988 -5.588 -12.470 1.00 1.00 H new ATOM 0 HG SER A 36 -5.957 -5.710 -14.786 1.00 1.00 H new ATOM 389 N ALA A 37 -7.722 -4.832 -10.011 1.00 1.00 N ATOM 390 CA ALA A 37 -7.994 -5.614 -8.809 1.00 1.00 C ATOM 391 C ALA A 37 -9.469 -5.544 -8.413 1.00 1.00 C ATOM 392 O ALA A 37 -9.896 -6.211 -7.471 1.00 1.00 O ATOM 393 CB ALA A 37 -7.119 -5.136 -7.659 1.00 1.00 C ATOM 0 H ALA A 37 -7.235 -3.952 -9.840 1.00 1.00 H new ATOM 0 HA ALA A 37 -7.758 -6.655 -9.031 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -7.332 -5.728 -6.769 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -6.069 -5.251 -7.928 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -7.328 -4.086 -7.455 1.00 1.00 H new ATOM 399 N GLY A 38 -10.241 -4.731 -9.129 1.00 1.00 N ATOM 400 CA GLY A 38 -11.653 -4.592 -8.825 1.00 1.00 C ATOM 401 C GLY A 38 -12.011 -3.190 -8.367 1.00 1.00 C ATOM 402 O GLY A 38 -13.130 -2.944 -7.919 1.00 1.00 O ATOM 0 H GLY A 38 -9.914 -4.167 -9.913 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -12.239 -4.843 -9.709 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -11.927 -5.306 -8.048 1.00 1.00 H new ATOM 406 N ALA A 39 -11.057 -2.270 -8.482 1.00 1.00 N ATOM 407 CA ALA A 39 -11.275 -0.888 -8.081 1.00 1.00 C ATOM 408 C ALA A 39 -11.858 -0.076 -9.246 1.00 1.00 C ATOM 409 O ALA A 39 -11.555 -0.356 -10.405 1.00 1.00 O ATOM 410 CB ALA A 39 -9.969 -0.278 -7.590 1.00 1.00 C ATOM 0 H ALA A 39 -10.125 -2.460 -8.850 1.00 1.00 H new ATOM 0 HA ALA A 39 -11.996 -0.865 -7.264 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -10.140 0.756 -7.292 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -9.601 -0.846 -6.736 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -9.230 -0.307 -8.391 1.00 1.00 H new ATOM 416 N GLN A 40 -12.703 0.918 -8.949 1.00 1.00 N ATOM 417 CA GLN A 40 -13.314 1.729 -9.999 1.00 1.00 C ATOM 418 C GLN A 40 -12.788 3.162 -9.984 1.00 1.00 C ATOM 419 O GLN A 40 -12.090 3.585 -10.904 1.00 1.00 O ATOM 420 CB GLN A 40 -14.836 1.734 -9.844 1.00 1.00 C ATOM 421 CG GLN A 40 -15.513 0.513 -10.444 1.00 1.00 C ATOM 422 CD GLN A 40 -15.158 0.309 -11.904 1.00 1.00 C ATOM 423 OE1 GLN A 40 -15.389 1.183 -12.739 1.00 1.00 O ATOM 424 NE2 GLN A 40 -14.594 -0.851 -12.220 1.00 1.00 N ATOM 0 H GLN A 40 -12.975 1.175 -8.000 1.00 1.00 H new ATOM 0 HA GLN A 40 -13.046 1.283 -10.957 1.00 1.00 H new ATOM 0 HB2 GLN A 40 -15.085 1.793 -8.784 1.00 1.00 H new ATOM 0 HB3 GLN A 40 -15.238 2.631 -10.316 1.00 1.00 H new ATOM 0 HG2 GLN A 40 -15.226 -0.373 -9.877 1.00 1.00 H new ATOM 0 HG3 GLN A 40 -16.594 0.617 -10.348 1.00 1.00 H new ATOM 0 HE21 GLN A 40 -14.420 -1.548 -11.496 1.00 1.00 H new ATOM 0 HE22 GLN A 40 -14.334 -1.045 -13.187 1.00 1.00 H new ATOM 433 N LYS A 41 -13.138 3.909 -8.940 1.00 1.00 N ATOM 434 CA LYS A 41 -12.711 5.301 -8.810 1.00 1.00 C ATOM 435 C LYS A 41 -11.209 5.450 -9.043 1.00 1.00 C ATOM 436 O LYS A 41 -10.498 4.465 -9.236 1.00 1.00 O ATOM 437 CB LYS A 41 -13.076 5.844 -7.426 1.00 1.00 C ATOM 438 CG LYS A 41 -12.618 4.956 -6.281 1.00 1.00 C ATOM 439 CD LYS A 41 -13.723 4.019 -5.818 1.00 1.00 C ATOM 440 CE LYS A 41 -13.641 3.755 -4.323 1.00 1.00 C ATOM 441 NZ LYS A 41 -13.647 2.298 -4.015 1.00 1.00 N ATOM 0 H LYS A 41 -13.717 3.574 -8.170 1.00 1.00 H new ATOM 0 HA LYS A 41 -13.233 5.877 -9.574 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -12.635 6.833 -7.306 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -14.157 5.968 -7.368 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -11.754 4.371 -6.597 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -12.294 5.577 -5.446 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -14.694 4.453 -6.059 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -13.652 3.076 -6.359 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -12.733 4.207 -3.924 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -14.482 4.235 -3.823 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -13.693 2.161 -2.985 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -14.474 1.852 -4.460 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -12.778 1.862 -4.384 1.00 1.00 H new ATOM 455 N GLU A 42 -10.734 6.692 -9.025 1.00 1.00 N ATOM 456 CA GLU A 42 -9.318 6.974 -9.235 1.00 1.00 C ATOM 457 C GLU A 42 -8.580 7.073 -7.904 1.00 1.00 C ATOM 458 O GLU A 42 -7.396 6.747 -7.814 1.00 1.00 O ATOM 459 CB GLU A 42 -9.147 8.274 -10.024 1.00 1.00 C ATOM 460 CG GLU A 42 -9.683 8.199 -11.444 1.00 1.00 C ATOM 461 CD GLU A 42 -8.850 9.003 -12.424 1.00 1.00 C ATOM 462 OE1 GLU A 42 -7.606 8.943 -12.334 1.00 1.00 O ATOM 463 OE2 GLU A 42 -9.443 9.692 -13.281 1.00 1.00 O ATOM 0 H GLU A 42 -11.309 7.519 -8.867 1.00 1.00 H new ATOM 0 HA GLU A 42 -8.890 6.151 -9.807 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -9.655 9.080 -9.495 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -8.089 8.532 -10.057 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -9.709 7.157 -11.764 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -10.710 8.564 -11.461 1.00 1.00 H new ATOM 470 N THR A 43 -9.286 7.522 -6.871 1.00 1.00 N ATOM 471 CA THR A 43 -8.695 7.660 -5.544 1.00 1.00 C ATOM 472 C THR A 43 -9.364 6.714 -4.555 1.00 1.00 C ATOM 473 O THR A 43 -10.582 6.540 -4.575 1.00 1.00 O ATOM 474 CB THR A 43 -8.818 9.100 -5.045 1.00 1.00 C ATOM 475 OG1 THR A 43 -9.019 9.992 -6.128 1.00 1.00 O ATOM 476 CG2 THR A 43 -7.602 9.572 -4.280 1.00 1.00 C ATOM 0 H THR A 43 -10.267 7.796 -6.927 1.00 1.00 H new ATOM 0 HA THR A 43 -7.639 7.402 -5.620 1.00 1.00 H new ATOM 0 HB THR A 43 -9.675 9.100 -4.371 1.00 1.00 H new ATOM 0 HG1 THR A 43 -9.097 10.908 -5.788 1.00 1.00 H new ATOM 0 HG21 THR A 43 -7.754 10.601 -3.954 1.00 1.00 H new ATOM 0 HG22 THR A 43 -7.450 8.934 -3.409 1.00 1.00 H new ATOM 0 HG23 THR A 43 -6.724 9.521 -4.925 1.00 1.00 H new ATOM 484 N PHE A 44 -8.563 6.103 -3.693 1.00 1.00 N ATOM 485 CA PHE A 44 -9.083 5.172 -2.700 1.00 1.00 C ATOM 486 C PHE A 44 -8.471 5.429 -1.328 1.00 1.00 C ATOM 487 O PHE A 44 -7.321 5.856 -1.221 1.00 1.00 O ATOM 488 CB PHE A 44 -8.785 3.732 -3.119 1.00 1.00 C ATOM 489 CG PHE A 44 -9.078 3.433 -4.558 1.00 1.00 C ATOM 490 CD1 PHE A 44 -8.261 3.929 -5.561 1.00 1.00 C ATOM 491 CD2 PHE A 44 -10.158 2.641 -4.907 1.00 1.00 C ATOM 492 CE1 PHE A 44 -8.518 3.639 -6.887 1.00 1.00 C ATOM 493 CE2 PHE A 44 -10.420 2.351 -6.232 1.00 1.00 C ATOM 494 CZ PHE A 44 -9.599 2.850 -7.223 1.00 1.00 C ATOM 0 H PHE A 44 -7.552 6.235 -3.661 1.00 1.00 H new ATOM 0 HA PHE A 44 -10.161 5.324 -2.637 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -7.734 3.520 -2.923 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -9.369 3.056 -2.494 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -7.415 4.549 -5.304 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -10.802 2.246 -4.136 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -7.873 4.030 -7.660 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -11.267 1.734 -6.492 1.00 1.00 H new ATOM 0 HZ PHE A 44 -9.802 2.623 -8.259 1.00 1.00 H new ATOM 504 N THR A 45 -9.238 5.144 -0.281 1.00 1.00 N ATOM 505 CA THR A 45 -8.759 5.323 1.082 1.00 1.00 C ATOM 506 C THR A 45 -7.838 4.169 1.460 1.00 1.00 C ATOM 507 O THR A 45 -7.959 3.069 0.922 1.00 1.00 O ATOM 508 CB THR A 45 -9.932 5.398 2.061 1.00 1.00 C ATOM 509 OG1 THR A 45 -10.897 4.404 1.765 1.00 1.00 O ATOM 510 CG2 THR A 45 -10.637 6.737 2.053 1.00 1.00 C ATOM 0 H THR A 45 -10.192 4.789 -0.351 1.00 1.00 H new ATOM 0 HA THR A 45 -8.205 6.260 1.136 1.00 1.00 H new ATOM 0 HB THR A 45 -9.493 5.243 3.047 1.00 1.00 H new ATOM 0 HG1 THR A 45 -11.638 4.467 2.403 1.00 1.00 H new ATOM 0 HG21 THR A 45 -11.458 6.720 2.770 1.00 1.00 H new ATOM 0 HG22 THR A 45 -9.931 7.521 2.327 1.00 1.00 H new ATOM 0 HG23 THR A 45 -11.030 6.935 1.056 1.00 1.00 H new ATOM 518 N MET A 46 -6.908 4.429 2.374 1.00 1.00 N ATOM 519 CA MET A 46 -5.953 3.419 2.812 1.00 1.00 C ATOM 520 C MET A 46 -6.608 2.053 3.015 1.00 1.00 C ATOM 521 O MET A 46 -5.967 1.020 2.830 1.00 1.00 O ATOM 522 CB MET A 46 -5.267 3.869 4.098 1.00 1.00 C ATOM 523 CG MET A 46 -3.766 3.676 4.059 1.00 1.00 C ATOM 524 SD MET A 46 -2.911 5.025 3.228 1.00 1.00 S ATOM 525 CE MET A 46 -2.297 4.171 1.777 1.00 1.00 C ATOM 0 H MET A 46 -6.796 5.336 2.827 1.00 1.00 H new ATOM 0 HA MET A 46 -5.211 3.309 2.021 1.00 1.00 H new ATOM 0 HB2 MET A 46 -5.489 4.921 4.274 1.00 1.00 H new ATOM 0 HB3 MET A 46 -5.679 3.311 4.939 1.00 1.00 H new ATOM 0 HG2 MET A 46 -3.389 3.586 5.078 1.00 1.00 H new ATOM 0 HG3 MET A 46 -3.538 2.739 3.551 1.00 1.00 H new ATOM 0 HE1 MET A 46 -2.493 4.773 0.890 1.00 1.00 H new ATOM 0 HE2 MET A 46 -1.223 4.011 1.876 1.00 1.00 H new ATOM 0 HE3 MET A 46 -2.800 3.209 1.681 1.00 1.00 H new ATOM 535 N LYS A 47 -7.881 2.048 3.390 1.00 1.00 N ATOM 536 CA LYS A 47 -8.598 0.796 3.607 1.00 1.00 C ATOM 537 C LYS A 47 -8.930 0.125 2.279 1.00 1.00 C ATOM 538 O LYS A 47 -8.597 -1.041 2.063 1.00 1.00 O ATOM 539 CB LYS A 47 -9.878 1.046 4.405 1.00 1.00 C ATOM 540 CG LYS A 47 -10.201 -0.053 5.401 1.00 1.00 C ATOM 541 CD LYS A 47 -9.113 -0.185 6.453 1.00 1.00 C ATOM 542 CE LYS A 47 -8.099 -1.248 6.071 1.00 1.00 C ATOM 543 NZ LYS A 47 -7.823 -2.185 7.195 1.00 1.00 N ATOM 0 H LYS A 47 -8.435 2.889 3.549 1.00 1.00 H new ATOM 0 HA LYS A 47 -7.952 0.129 4.178 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -9.784 1.992 4.939 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -10.713 1.153 3.712 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -11.154 0.161 5.885 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -10.317 -1.000 4.875 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -8.608 0.773 6.579 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -9.562 -0.437 7.414 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -8.468 -1.810 5.213 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -7.170 -0.769 5.762 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -7.126 -2.895 6.892 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -7.446 -1.653 8.006 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -8.704 -2.662 7.473 1.00 1.00 H new ATOM 557 N GLU A 48 -9.580 0.866 1.387 1.00 1.00 N ATOM 558 CA GLU A 48 -9.944 0.333 0.079 1.00 1.00 C ATOM 559 C GLU A 48 -8.694 0.043 -0.744 1.00 1.00 C ATOM 560 O GLU A 48 -8.611 -0.980 -1.422 1.00 1.00 O ATOM 561 CB GLU A 48 -10.850 1.310 -0.671 1.00 1.00 C ATOM 562 CG GLU A 48 -11.929 1.936 0.199 1.00 1.00 C ATOM 563 CD GLU A 48 -13.324 1.715 -0.352 1.00 1.00 C ATOM 564 OE1 GLU A 48 -13.762 2.521 -1.200 1.00 1.00 O ATOM 565 OE2 GLU A 48 -13.979 0.737 0.065 1.00 1.00 O ATOM 0 H GLU A 48 -9.864 1.833 1.545 1.00 1.00 H new ATOM 0 HA GLU A 48 -10.490 -0.598 0.232 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -10.237 2.103 -1.101 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -11.324 0.787 -1.502 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -11.869 1.517 1.204 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -11.743 3.006 0.288 1.00 1.00 H new ATOM 572 N VAL A 49 -7.716 0.942 -0.670 1.00 1.00 N ATOM 573 CA VAL A 49 -6.466 0.765 -1.403 1.00 1.00 C ATOM 574 C VAL A 49 -5.816 -0.555 -1.017 1.00 1.00 C ATOM 575 O VAL A 49 -5.612 -1.434 -1.855 1.00 1.00 O ATOM 576 CB VAL A 49 -5.463 1.906 -1.128 1.00 1.00 C ATOM 577 CG1 VAL A 49 -4.339 1.883 -2.155 1.00 1.00 C ATOM 578 CG2 VAL A 49 -6.161 3.260 -1.117 1.00 1.00 C ATOM 0 H VAL A 49 -7.764 1.795 -0.113 1.00 1.00 H new ATOM 0 HA VAL A 49 -6.717 0.773 -2.464 1.00 1.00 H new ATOM 0 HB VAL A 49 -5.031 1.749 -0.140 1.00 1.00 H new ATOM 0 HG11 VAL A 49 -3.640 2.693 -1.948 1.00 1.00 H new ATOM 0 HG12 VAL A 49 -3.815 0.929 -2.100 1.00 1.00 H new ATOM 0 HG13 VAL A 49 -4.756 2.010 -3.154 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -5.430 4.045 -0.921 1.00 1.00 H new ATOM 0 HG22 VAL A 49 -6.631 3.435 -2.085 1.00 1.00 H new ATOM 0 HG23 VAL A 49 -6.922 3.270 -0.337 1.00 1.00 H new ATOM 588 N LEU A 50 -5.507 -0.686 0.267 1.00 1.00 N ATOM 589 CA LEU A 50 -4.892 -1.897 0.792 1.00 1.00 C ATOM 590 C LEU A 50 -5.791 -3.113 0.563 1.00 1.00 C ATOM 591 O LEU A 50 -5.333 -4.254 0.623 1.00 1.00 O ATOM 592 CB LEU A 50 -4.606 -1.725 2.287 1.00 1.00 C ATOM 593 CG LEU A 50 -3.236 -2.223 2.748 1.00 1.00 C ATOM 594 CD1 LEU A 50 -2.906 -1.674 4.127 1.00 1.00 C ATOM 595 CD2 LEU A 50 -3.191 -3.742 2.756 1.00 1.00 C ATOM 0 H LEU A 50 -5.674 0.037 0.967 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.955 -2.066 0.262 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -4.694 -0.668 2.538 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -5.375 -2.252 2.851 1.00 1.00 H new ATOM 0 HG LEU A 50 -2.487 -1.862 2.043 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -1.927 -2.039 4.439 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -2.893 -0.585 4.091 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -3.661 -2.005 4.840 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -2.207 -4.075 3.087 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -3.952 -4.125 3.436 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -3.382 -4.117 1.750 1.00 1.00 H new ATOM 607 N TYR A 51 -7.074 -2.864 0.306 1.00 1.00 N ATOM 608 CA TYR A 51 -8.032 -3.942 0.077 1.00 1.00 C ATOM 609 C TYR A 51 -7.884 -4.537 -1.324 1.00 1.00 C ATOM 610 O TYR A 51 -7.632 -5.733 -1.469 1.00 1.00 O ATOM 611 CB TYR A 51 -9.464 -3.439 0.291 1.00 1.00 C ATOM 612 CG TYR A 51 -10.521 -4.490 0.034 1.00 1.00 C ATOM 613 CD1 TYR A 51 -10.535 -5.679 0.753 1.00 1.00 C ATOM 614 CD2 TYR A 51 -11.505 -4.293 -0.926 1.00 1.00 C ATOM 615 CE1 TYR A 51 -11.499 -6.642 0.521 1.00 1.00 C ATOM 616 CE2 TYR A 51 -12.473 -5.251 -1.164 1.00 1.00 C ATOM 617 CZ TYR A 51 -12.465 -6.423 -0.438 1.00 1.00 C ATOM 618 OH TYR A 51 -13.427 -7.379 -0.672 1.00 1.00 O ATOM 0 H TYR A 51 -7.473 -1.927 0.251 1.00 1.00 H new ATOM 0 HA TYR A 51 -7.821 -4.731 0.799 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -9.564 -3.078 1.315 1.00 1.00 H new ATOM 0 HB3 TYR A 51 -9.643 -2.588 -0.366 1.00 1.00 H new ATOM 0 HD1 TYR A 51 -9.780 -5.854 1.505 1.00 1.00 H new ATOM 0 HD2 TYR A 51 -11.514 -3.376 -1.496 1.00 1.00 H new ATOM 0 HE1 TYR A 51 -11.496 -7.561 1.088 1.00 1.00 H new ATOM 0 HE2 TYR A 51 -13.231 -5.082 -1.914 1.00 1.00 H new ATOM 0 HH TYR A 51 -14.032 -7.068 -1.378 1.00 1.00 H new ATOM 628 N HIS A 52 -8.045 -3.707 -2.356 1.00 1.00 N ATOM 629 CA HIS A 52 -7.926 -4.186 -3.732 1.00 1.00 C ATOM 630 C HIS A 52 -6.503 -4.643 -4.027 1.00 1.00 C ATOM 631 O HIS A 52 -6.285 -5.516 -4.867 1.00 1.00 O ATOM 632 CB HIS A 52 -8.331 -3.104 -4.740 1.00 1.00 C ATOM 633 CG HIS A 52 -9.457 -2.225 -4.289 1.00 1.00 C ATOM 634 ND1 HIS A 52 -10.752 -2.674 -4.144 1.00 1.00 N ATOM 635 CD2 HIS A 52 -9.479 -0.909 -3.970 1.00 1.00 C ATOM 636 CE1 HIS A 52 -11.522 -1.672 -3.758 1.00 1.00 C ATOM 637 NE2 HIS A 52 -10.773 -0.591 -3.644 1.00 1.00 N ATOM 0 H HIS A 52 -8.255 -2.713 -2.267 1.00 1.00 H new ATOM 0 HA HIS A 52 -8.605 -5.032 -3.836 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -7.463 -2.480 -4.953 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -8.615 -3.585 -5.676 1.00 1.00 H new ATOM 0 HD1 HIS A 52 -11.067 -3.630 -4.309 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -8.635 -0.235 -3.972 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -12.584 -1.728 -3.568 1.00 1.00 H new ATOM 646 N LEU A 53 -5.535 -4.053 -3.332 1.00 1.00 N ATOM 647 CA LEU A 53 -4.143 -4.403 -3.522 1.00 1.00 C ATOM 648 C LEU A 53 -3.913 -5.866 -3.157 1.00 1.00 C ATOM 649 O LEU A 53 -3.220 -6.593 -3.870 1.00 1.00 O ATOM 650 CB LEU A 53 -3.264 -3.486 -2.676 1.00 1.00 C ATOM 651 CG LEU A 53 -1.801 -3.892 -2.614 1.00 1.00 C ATOM 652 CD1 LEU A 53 -1.209 -3.953 -4.013 1.00 1.00 C ATOM 653 CD2 LEU A 53 -1.014 -2.933 -1.734 1.00 1.00 C ATOM 0 H LEU A 53 -5.696 -3.329 -2.632 1.00 1.00 H new ATOM 0 HA LEU A 53 -3.877 -4.271 -4.571 1.00 1.00 H new ATOM 0 HB2 LEU A 53 -3.330 -2.473 -3.074 1.00 1.00 H new ATOM 0 HB3 LEU A 53 -3.663 -3.457 -1.662 1.00 1.00 H new ATOM 0 HG LEU A 53 -1.736 -4.886 -2.171 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -0.161 -4.245 -3.952 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -1.756 -4.685 -4.608 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -1.286 -2.973 -4.484 1.00 1.00 H new ATOM 0 HD21 LEU A 53 0.031 -3.242 -1.703 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -1.083 -1.925 -2.143 1.00 1.00 H new ATOM 0 HD23 LEU A 53 -1.426 -2.944 -0.725 1.00 1.00 H new ATOM 665 N GLY A 54 -4.516 -6.299 -2.055 1.00 1.00 N ATOM 666 CA GLY A 54 -4.378 -7.681 -1.638 1.00 1.00 C ATOM 667 C GLY A 54 -4.991 -8.621 -2.653 1.00 1.00 C ATOM 668 O GLY A 54 -4.466 -9.705 -2.911 1.00 1.00 O ATOM 0 H GLY A 54 -5.095 -5.721 -1.446 1.00 1.00 H new ATOM 0 HA2 GLY A 54 -3.323 -7.921 -1.507 1.00 1.00 H new ATOM 0 HA3 GLY A 54 -4.860 -7.822 -0.670 1.00 1.00 H new ATOM 672 N GLN A 55 -6.102 -8.189 -3.244 1.00 1.00 N ATOM 673 CA GLN A 55 -6.789 -8.978 -4.257 1.00 1.00 C ATOM 674 C GLN A 55 -6.013 -8.945 -5.570 1.00 1.00 C ATOM 675 O GLN A 55 -6.157 -9.831 -6.412 1.00 1.00 O ATOM 676 CB GLN A 55 -8.208 -8.450 -4.473 1.00 1.00 C ATOM 677 CG GLN A 55 -9.031 -8.375 -3.197 1.00 1.00 C ATOM 678 CD GLN A 55 -10.514 -8.220 -3.468 1.00 1.00 C ATOM 679 OE1 GLN A 55 -10.918 -7.520 -4.396 1.00 1.00 O ATOM 680 NE2 GLN A 55 -11.336 -8.875 -2.656 1.00 1.00 N ATOM 0 H GLN A 55 -6.545 -7.294 -3.037 1.00 1.00 H new ATOM 0 HA GLN A 55 -6.849 -10.009 -3.909 1.00 1.00 H new ATOM 0 HB2 GLN A 55 -8.153 -7.457 -4.919 1.00 1.00 H new ATOM 0 HB3 GLN A 55 -8.721 -9.093 -5.189 1.00 1.00 H new ATOM 0 HG2 GLN A 55 -8.865 -9.278 -2.609 1.00 1.00 H new ATOM 0 HG3 GLN A 55 -8.686 -7.534 -2.595 1.00 1.00 H new ATOM 0 HE21 GLN A 55 -10.958 -9.444 -1.899 1.00 1.00 H new ATOM 0 HE22 GLN A 55 -12.345 -8.809 -2.790 1.00 1.00 H new ATOM 689 N TYR A 56 -5.181 -7.919 -5.734 1.00 1.00 N ATOM 690 CA TYR A 56 -4.373 -7.778 -6.937 1.00 1.00 C ATOM 691 C TYR A 56 -3.323 -8.883 -6.996 1.00 1.00 C ATOM 692 O TYR A 56 -2.990 -9.384 -8.070 1.00 1.00 O ATOM 693 CB TYR A 56 -3.697 -6.402 -6.969 1.00 1.00 C ATOM 694 CG TYR A 56 -2.656 -6.264 -8.057 1.00 1.00 C ATOM 695 CD1 TYR A 56 -3.016 -5.899 -9.347 1.00 1.00 C ATOM 696 CD2 TYR A 56 -1.316 -6.514 -7.795 1.00 1.00 C ATOM 697 CE1 TYR A 56 -2.069 -5.786 -10.346 1.00 1.00 C ATOM 698 CE2 TYR A 56 -0.363 -6.400 -8.787 1.00 1.00 C ATOM 699 CZ TYR A 56 -0.744 -6.036 -10.061 1.00 1.00 C ATOM 700 OH TYR A 56 0.203 -5.924 -11.053 1.00 1.00 O ATOM 0 H TYR A 56 -5.051 -7.175 -5.048 1.00 1.00 H new ATOM 0 HA TYR A 56 -5.024 -7.864 -7.807 1.00 1.00 H new ATOM 0 HB2 TYR A 56 -4.459 -5.635 -7.108 1.00 1.00 H new ATOM 0 HB3 TYR A 56 -3.228 -6.214 -6.003 1.00 1.00 H new ATOM 0 HD1 TYR A 56 -4.053 -5.700 -9.573 1.00 1.00 H new ATOM 0 HD2 TYR A 56 -1.014 -6.802 -6.799 1.00 1.00 H new ATOM 0 HE1 TYR A 56 -2.365 -5.503 -11.345 1.00 1.00 H new ATOM 0 HE2 TYR A 56 0.676 -6.595 -8.566 1.00 1.00 H new ATOM 0 HH TYR A 56 1.087 -6.133 -10.686 1.00 1.00 H new ATOM 710 N ILE A 57 -2.809 -9.259 -5.829 1.00 1.00 N ATOM 711 CA ILE A 57 -1.801 -10.306 -5.737 1.00 1.00 C ATOM 712 C ILE A 57 -2.404 -11.672 -6.040 1.00 1.00 C ATOM 713 O ILE A 57 -1.928 -12.389 -6.921 1.00 1.00 O ATOM 714 CB ILE A 57 -1.152 -10.341 -4.341 1.00 1.00 C ATOM 715 CG1 ILE A 57 -0.661 -8.947 -3.951 1.00 1.00 C ATOM 716 CG2 ILE A 57 -0.005 -11.341 -4.311 1.00 1.00 C ATOM 717 CD1 ILE A 57 -0.025 -8.894 -2.581 1.00 1.00 C ATOM 0 H ILE A 57 -3.076 -8.852 -4.933 1.00 1.00 H new ATOM 0 HA ILE A 57 -1.035 -10.076 -6.478 1.00 1.00 H new ATOM 0 HB ILE A 57 -1.901 -10.660 -3.616 1.00 1.00 H new ATOM 0 HG12 ILE A 57 0.061 -8.604 -4.692 1.00 1.00 H new ATOM 0 HG13 ILE A 57 -1.501 -8.253 -3.980 1.00 1.00 H new ATOM 0 HG21 ILE A 57 0.442 -11.352 -3.317 1.00 1.00 H new ATOM 0 HG22 ILE A 57 -0.383 -12.335 -4.551 1.00 1.00 H new ATOM 0 HG23 ILE A 57 0.748 -11.053 -5.044 1.00 1.00 H new ATOM 0 HD11 ILE A 57 0.300 -7.875 -2.370 1.00 1.00 H new ATOM 0 HD12 ILE A 57 -0.751 -9.206 -1.830 1.00 1.00 H new ATOM 0 HD13 ILE A 57 0.835 -9.563 -2.553 1.00 1.00 H new ATOM 729 N MET A 58 -3.458 -12.027 -5.310 1.00 1.00 N ATOM 730 CA MET A 58 -4.124 -13.307 -5.512 1.00 1.00 C ATOM 731 C MET A 58 -4.652 -13.414 -6.940 1.00 1.00 C ATOM 732 O MET A 58 -4.745 -14.507 -7.498 1.00 1.00 O ATOM 733 CB MET A 58 -5.267 -13.485 -4.508 1.00 1.00 C ATOM 734 CG MET A 58 -6.426 -12.526 -4.723 1.00 1.00 C ATOM 735 SD MET A 58 -7.812 -13.293 -5.585 1.00 1.00 S ATOM 736 CE MET A 58 -8.739 -11.846 -6.090 1.00 1.00 C ATOM 0 H MET A 58 -3.867 -11.448 -4.577 1.00 1.00 H new ATOM 0 HA MET A 58 -3.395 -14.101 -5.350 1.00 1.00 H new ATOM 0 HB2 MET A 58 -5.638 -14.508 -4.571 1.00 1.00 H new ATOM 0 HB3 MET A 58 -4.877 -13.349 -3.499 1.00 1.00 H new ATOM 0 HG2 MET A 58 -6.766 -12.151 -3.758 1.00 1.00 H new ATOM 0 HG3 MET A 58 -6.079 -11.665 -5.295 1.00 1.00 H new ATOM 0 HE1 MET A 58 -9.527 -12.142 -6.783 1.00 1.00 H new ATOM 0 HE2 MET A 58 -9.185 -11.375 -5.214 1.00 1.00 H new ATOM 0 HE3 MET A 58 -8.071 -11.139 -6.581 1.00 1.00 H new ATOM 746 N ALA A 59 -4.985 -12.268 -7.528 1.00 1.00 N ATOM 747 CA ALA A 59 -5.490 -12.231 -8.895 1.00 1.00 C ATOM 748 C ALA A 59 -4.349 -12.405 -9.890 1.00 1.00 C ATOM 749 O ALA A 59 -4.348 -13.339 -10.691 1.00 1.00 O ATOM 750 CB ALA A 59 -6.226 -10.924 -9.152 1.00 1.00 C ATOM 0 H ALA A 59 -4.914 -11.355 -7.079 1.00 1.00 H new ATOM 0 HA ALA A 59 -6.191 -13.055 -9.028 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -6.597 -10.911 -10.177 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -7.065 -10.837 -8.461 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -5.544 -10.087 -9.003 1.00 1.00 H new ATOM 756 N LYS A 60 -3.371 -11.505 -9.824 1.00 1.00 N ATOM 757 CA LYS A 60 -2.217 -11.567 -10.709 1.00 1.00 C ATOM 758 C LYS A 60 -1.431 -12.856 -10.478 1.00 1.00 C ATOM 759 O LYS A 60 -0.735 -13.339 -11.371 1.00 1.00 O ATOM 760 CB LYS A 60 -1.311 -10.358 -10.477 1.00 1.00 C ATOM 761 CG LYS A 60 -1.691 -9.139 -11.301 1.00 1.00 C ATOM 762 CD LYS A 60 -3.150 -8.759 -11.108 1.00 1.00 C ATOM 763 CE LYS A 60 -3.580 -7.679 -12.087 1.00 1.00 C ATOM 764 NZ LYS A 60 -4.292 -8.248 -13.264 1.00 1.00 N ATOM 0 H LYS A 60 -3.357 -10.725 -9.166 1.00 1.00 H new ATOM 0 HA LYS A 60 -2.573 -11.555 -11.739 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -1.338 -10.093 -9.420 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -0.283 -10.636 -10.710 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -1.056 -8.298 -11.020 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -1.505 -9.341 -12.356 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -3.777 -9.641 -11.240 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -3.303 -8.408 -10.087 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -4.230 -6.967 -11.579 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -2.704 -7.126 -12.425 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -4.568 -7.479 -13.907 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -3.663 -8.909 -13.764 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -5.142 -8.754 -12.944 1.00 1.00 H new ATOM 778 N GLN A 61 -1.548 -13.407 -9.271 1.00 1.00 N ATOM 779 CA GLN A 61 -0.852 -14.639 -8.913 1.00 1.00 C ATOM 780 C GLN A 61 0.652 -14.408 -8.804 1.00 1.00 C ATOM 781 O GLN A 61 1.427 -14.894 -9.628 1.00 1.00 O ATOM 782 CB GLN A 61 -1.143 -15.738 -9.939 1.00 1.00 C ATOM 783 CG GLN A 61 -0.728 -17.126 -9.478 1.00 1.00 C ATOM 784 CD GLN A 61 -1.909 -18.060 -9.298 1.00 1.00 C ATOM 785 OE1 GLN A 61 -1.848 -19.234 -9.662 1.00 1.00 O ATOM 786 NE2 GLN A 61 -2.994 -17.541 -8.734 1.00 1.00 N ATOM 0 H GLN A 61 -2.121 -13.017 -8.523 1.00 1.00 H new ATOM 0 HA GLN A 61 -1.220 -14.960 -7.939 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -2.210 -15.742 -10.162 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -0.624 -15.503 -10.868 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -0.038 -17.555 -10.205 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -0.187 -17.045 -8.535 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -3.001 -16.562 -8.447 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -3.820 -18.121 -8.588 1.00 1.00 H new ATOM 795 N LEU A 62 1.058 -13.662 -7.780 1.00 1.00 N ATOM 796 CA LEU A 62 2.471 -13.368 -7.561 1.00 1.00 C ATOM 797 C LEU A 62 2.982 -14.016 -6.274 1.00 1.00 C ATOM 798 O LEU A 62 4.150 -13.862 -5.916 1.00 1.00 O ATOM 799 CB LEU A 62 2.695 -11.856 -7.503 1.00 1.00 C ATOM 800 CG LEU A 62 1.919 -11.045 -8.541 1.00 1.00 C ATOM 801 CD1 LEU A 62 2.105 -9.556 -8.299 1.00 1.00 C ATOM 802 CD2 LEU A 62 2.364 -11.419 -9.948 1.00 1.00 C ATOM 0 H LEU A 62 0.430 -13.251 -7.090 1.00 1.00 H new ATOM 0 HA LEU A 62 3.030 -13.785 -8.399 1.00 1.00 H new ATOM 0 HB2 LEU A 62 2.421 -11.502 -6.509 1.00 1.00 H new ATOM 0 HB3 LEU A 62 3.759 -11.657 -7.631 1.00 1.00 H new ATOM 0 HG LEU A 62 0.859 -11.279 -8.442 1.00 1.00 H new ATOM 0 HD11 LEU A 62 1.546 -8.993 -9.047 1.00 1.00 H new ATOM 0 HD12 LEU A 62 1.739 -9.301 -7.304 1.00 1.00 H new ATOM 0 HD13 LEU A 62 3.163 -9.305 -8.372 1.00 1.00 H new ATOM 0 HD21 LEU A 62 1.802 -10.833 -10.675 1.00 1.00 H new ATOM 0 HD22 LEU A 62 3.428 -11.212 -10.060 1.00 1.00 H new ATOM 0 HD23 LEU A 62 2.181 -12.480 -10.118 1.00 1.00 H new ATOM 814 N TYR A 63 2.107 -14.741 -5.580 1.00 1.00 N ATOM 815 CA TYR A 63 2.481 -15.405 -4.336 1.00 1.00 C ATOM 816 C TYR A 63 3.227 -16.705 -4.619 1.00 1.00 C ATOM 817 O TYR A 63 3.073 -17.302 -5.684 1.00 1.00 O ATOM 818 CB TYR A 63 1.237 -15.689 -3.493 1.00 1.00 C ATOM 819 CG TYR A 63 0.164 -16.448 -4.240 1.00 1.00 C ATOM 820 CD1 TYR A 63 0.327 -17.791 -4.553 1.00 1.00 C ATOM 821 CD2 TYR A 63 -1.010 -15.820 -4.634 1.00 1.00 C ATOM 822 CE1 TYR A 63 -0.649 -18.488 -5.239 1.00 1.00 C ATOM 823 CE2 TYR A 63 -1.992 -16.510 -5.320 1.00 1.00 C ATOM 824 CZ TYR A 63 -1.807 -17.843 -5.621 1.00 1.00 C ATOM 825 OH TYR A 63 -2.781 -18.533 -6.304 1.00 1.00 O ATOM 0 H TYR A 63 1.136 -14.883 -5.859 1.00 1.00 H new ATOM 0 HA TYR A 63 3.143 -14.741 -3.781 1.00 1.00 H new ATOM 0 HB2 TYR A 63 1.528 -16.260 -2.611 1.00 1.00 H new ATOM 0 HB3 TYR A 63 0.824 -14.744 -3.139 1.00 1.00 H new ATOM 0 HD1 TYR A 63 1.232 -18.299 -4.255 1.00 1.00 H new ATOM 0 HD2 TYR A 63 -1.158 -14.776 -4.401 1.00 1.00 H new ATOM 0 HE1 TYR A 63 -0.506 -19.532 -5.475 1.00 1.00 H new ATOM 0 HE2 TYR A 63 -2.900 -16.007 -5.619 1.00 1.00 H new ATOM 0 HH TYR A 63 -3.616 -18.020 -6.289 1.00 1.00 H new ATOM 835 N ASP A 64 4.036 -17.139 -3.657 1.00 1.00 N ATOM 836 CA ASP A 64 4.805 -18.369 -3.803 1.00 1.00 C ATOM 837 C ASP A 64 3.960 -19.587 -3.444 1.00 1.00 C ATOM 838 O ASP A 64 3.174 -19.552 -2.497 1.00 1.00 O ATOM 839 CB ASP A 64 6.055 -18.321 -2.921 1.00 1.00 C ATOM 840 CG ASP A 64 6.924 -19.554 -3.079 1.00 1.00 C ATOM 841 OD1 ASP A 64 6.734 -20.292 -4.069 1.00 1.00 O ATOM 842 OD2 ASP A 64 7.795 -19.781 -2.213 1.00 1.00 O ATOM 0 H ASP A 64 4.175 -16.657 -2.769 1.00 1.00 H new ATOM 0 HA ASP A 64 5.108 -18.457 -4.846 1.00 1.00 H new ATOM 0 HB2 ASP A 64 6.638 -17.435 -3.171 1.00 1.00 H new ATOM 0 HB3 ASP A 64 5.756 -18.222 -1.877 1.00 1.00 H new ATOM 847 N GLU A 65 4.127 -20.663 -4.206 1.00 1.00 N ATOM 848 CA GLU A 65 3.379 -21.892 -3.968 1.00 1.00 C ATOM 849 C GLU A 65 3.742 -22.495 -2.614 1.00 1.00 C ATOM 850 O GLU A 65 2.865 -22.843 -1.824 1.00 1.00 O ATOM 851 CB GLU A 65 3.652 -22.904 -5.083 1.00 1.00 C ATOM 852 CG GLU A 65 2.605 -22.892 -6.185 1.00 1.00 C ATOM 853 CD GLU A 65 1.567 -23.984 -6.015 1.00 1.00 C ATOM 854 OE1 GLU A 65 1.081 -24.169 -4.879 1.00 1.00 O ATOM 855 OE2 GLU A 65 1.240 -24.653 -7.017 1.00 1.00 O ATOM 0 H GLU A 65 4.774 -20.709 -4.993 1.00 1.00 H new ATOM 0 HA GLU A 65 2.317 -21.648 -3.963 1.00 1.00 H new ATOM 0 HB2 GLU A 65 4.629 -22.697 -5.519 1.00 1.00 H new ATOM 0 HB3 GLU A 65 3.701 -23.904 -4.651 1.00 1.00 H new ATOM 0 HG2 GLU A 65 2.108 -21.922 -6.198 1.00 1.00 H new ATOM 0 HG3 GLU A 65 3.097 -23.011 -7.150 1.00 1.00 H new ATOM 862 N LYS A 66 5.040 -22.613 -2.352 1.00 1.00 N ATOM 863 CA LYS A 66 5.517 -23.172 -1.091 1.00 1.00 C ATOM 864 C LYS A 66 4.977 -22.374 0.091 1.00 1.00 C ATOM 865 O LYS A 66 4.422 -22.938 1.033 1.00 1.00 O ATOM 866 CB LYS A 66 7.047 -23.185 -1.060 1.00 1.00 C ATOM 867 CG LYS A 66 7.668 -24.182 -2.024 1.00 1.00 C ATOM 868 CD LYS A 66 9.143 -23.895 -2.249 1.00 1.00 C ATOM 869 CE LYS A 66 10.016 -24.670 -1.275 1.00 1.00 C ATOM 870 NZ LYS A 66 11.464 -24.389 -1.482 1.00 1.00 N ATOM 0 H LYS A 66 5.780 -22.330 -2.995 1.00 1.00 H new ATOM 0 HA LYS A 66 5.153 -24.196 -1.013 1.00 1.00 H new ATOM 0 HB2 LYS A 66 7.415 -22.187 -1.296 1.00 1.00 H new ATOM 0 HB3 LYS A 66 7.379 -23.416 -0.048 1.00 1.00 H new ATOM 0 HG2 LYS A 66 7.549 -25.192 -1.632 1.00 1.00 H new ATOM 0 HG3 LYS A 66 7.140 -24.146 -2.977 1.00 1.00 H new ATOM 0 HD2 LYS A 66 9.414 -24.158 -3.271 1.00 1.00 H new ATOM 0 HD3 LYS A 66 9.329 -22.827 -2.135 1.00 1.00 H new ATOM 0 HE2 LYS A 66 9.738 -24.411 -0.253 1.00 1.00 H new ATOM 0 HE3 LYS A 66 9.833 -25.738 -1.394 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 12.025 -24.936 -0.799 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 11.735 -24.660 -2.449 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 11.644 -23.374 -1.343 1.00 1.00 H new ATOM 884 N GLN A 67 5.139 -21.056 0.028 1.00 1.00 N ATOM 885 CA GLN A 67 4.662 -20.174 1.088 1.00 1.00 C ATOM 886 C GLN A 67 3.730 -19.110 0.519 1.00 1.00 C ATOM 887 O GLN A 67 4.103 -18.361 -0.384 1.00 1.00 O ATOM 888 CB GLN A 67 5.838 -19.508 1.810 1.00 1.00 C ATOM 889 CG GLN A 67 7.059 -19.288 0.930 1.00 1.00 C ATOM 890 CD GLN A 67 7.870 -20.554 0.735 1.00 1.00 C ATOM 891 OE1 GLN A 67 7.513 -21.618 1.238 1.00 1.00 O ATOM 892 NE2 GLN A 67 8.972 -20.443 0.001 1.00 1.00 N ATOM 0 H GLN A 67 5.597 -20.575 -0.746 1.00 1.00 H new ATOM 0 HA GLN A 67 4.109 -20.778 1.807 1.00 1.00 H new ATOM 0 HB2 GLN A 67 5.511 -18.547 2.206 1.00 1.00 H new ATOM 0 HB3 GLN A 67 6.124 -20.124 2.663 1.00 1.00 H new ATOM 0 HG2 GLN A 67 6.739 -18.912 -0.042 1.00 1.00 H new ATOM 0 HG3 GLN A 67 7.691 -18.521 1.377 1.00 1.00 H new ATOM 0 HE21 GLN A 67 9.231 -19.540 -0.397 1.00 1.00 H new ATOM 0 HE22 GLN A 67 9.559 -21.260 -0.164 1.00 1.00 H new ATOM 901 N GLN A 68 2.513 -19.052 1.049 1.00 1.00 N ATOM 902 CA GLN A 68 1.524 -18.084 0.590 1.00 1.00 C ATOM 903 C GLN A 68 1.795 -16.695 1.163 1.00 1.00 C ATOM 904 O GLN A 68 1.283 -15.697 0.657 1.00 1.00 O ATOM 905 CB GLN A 68 0.117 -18.541 0.977 1.00 1.00 C ATOM 906 CG GLN A 68 -0.474 -19.565 0.021 1.00 1.00 C ATOM 907 CD GLN A 68 -0.053 -20.983 0.354 1.00 1.00 C ATOM 908 OE1 GLN A 68 -0.432 -21.529 1.390 1.00 1.00 O ATOM 909 NE2 GLN A 68 0.736 -21.588 -0.527 1.00 1.00 N ATOM 0 H GLN A 68 2.188 -19.664 1.797 1.00 1.00 H new ATOM 0 HA GLN A 68 1.598 -18.023 -0.496 1.00 1.00 H new ATOM 0 HB2 GLN A 68 0.145 -18.966 1.980 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -0.540 -17.672 1.018 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -1.562 -19.497 0.048 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -0.165 -19.327 -0.997 1.00 1.00 H new ATOM 0 HE21 GLN A 68 1.026 -21.098 -1.373 1.00 1.00 H new ATOM 0 HE22 GLN A 68 1.052 -22.543 -0.357 1.00 1.00 H new ATOM 918 N HIS A 69 2.599 -16.632 2.222 1.00 1.00 N ATOM 919 CA HIS A 69 2.925 -15.358 2.854 1.00 1.00 C ATOM 920 C HIS A 69 4.132 -14.694 2.189 1.00 1.00 C ATOM 921 O HIS A 69 4.637 -13.682 2.675 1.00 1.00 O ATOM 922 CB HIS A 69 3.185 -15.561 4.351 1.00 1.00 C ATOM 923 CG HIS A 69 4.507 -16.197 4.656 1.00 1.00 C ATOM 924 ND1 HIS A 69 4.735 -17.552 4.540 1.00 1.00 N ATOM 925 CD2 HIS A 69 5.676 -15.656 5.075 1.00 1.00 C ATOM 926 CE1 HIS A 69 5.986 -17.817 4.874 1.00 1.00 C ATOM 927 NE2 HIS A 69 6.578 -16.684 5.202 1.00 1.00 N ATOM 0 H HIS A 69 3.034 -17.445 2.658 1.00 1.00 H new ATOM 0 HA HIS A 69 2.070 -14.694 2.728 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.133 -14.595 4.853 1.00 1.00 H new ATOM 0 HB3 HIS A 69 2.390 -16.180 4.767 1.00 1.00 H new ATOM 0 HD2 HIS A 69 5.864 -14.611 5.272 1.00 1.00 H new ATOM 0 HE1 HIS A 69 6.446 -18.794 4.878 1.00 1.00 H new ATOM 0 HE2 HIS A 69 7.548 -16.587 5.501 1.00 1.00 H new ATOM 936 N ILE A 70 4.585 -15.260 1.072 1.00 1.00 N ATOM 937 CA ILE A 70 5.723 -14.710 0.346 1.00 1.00 C ATOM 938 C ILE A 70 5.329 -14.345 -1.081 1.00 1.00 C ATOM 939 O ILE A 70 4.653 -15.113 -1.766 1.00 1.00 O ATOM 940 CB ILE A 70 6.907 -15.700 0.311 1.00 1.00 C ATOM 941 CG1 ILE A 70 7.324 -16.084 1.732 1.00 1.00 C ATOM 942 CG2 ILE A 70 8.085 -15.099 -0.443 1.00 1.00 C ATOM 943 CD1 ILE A 70 7.591 -14.895 2.630 1.00 1.00 C ATOM 0 H ILE A 70 4.181 -16.097 0.652 1.00 1.00 H new ATOM 0 HA ILE A 70 6.037 -13.811 0.877 1.00 1.00 H new ATOM 0 HB ILE A 70 6.586 -16.601 -0.212 1.00 1.00 H new ATOM 0 HG12 ILE A 70 6.540 -16.696 2.178 1.00 1.00 H new ATOM 0 HG13 ILE A 70 8.222 -16.700 1.684 1.00 1.00 H new ATOM 0 HG21 ILE A 70 8.910 -15.812 -0.457 1.00 1.00 H new ATOM 0 HG22 ILE A 70 7.785 -14.872 -1.466 1.00 1.00 H new ATOM 0 HG23 ILE A 70 8.405 -14.183 0.053 1.00 1.00 H new ATOM 0 HD11 ILE A 70 7.881 -15.245 3.621 1.00 1.00 H new ATOM 0 HD12 ILE A 70 8.396 -14.293 2.207 1.00 1.00 H new ATOM 0 HD13 ILE A 70 6.688 -14.289 2.710 1.00 1.00 H new ATOM 955 N VAL A 71 5.753 -13.167 -1.519 1.00 1.00 N ATOM 956 CA VAL A 71 5.444 -12.693 -2.862 1.00 1.00 C ATOM 957 C VAL A 71 6.710 -12.283 -3.605 1.00 1.00 C ATOM 958 O VAL A 71 7.273 -11.219 -3.348 1.00 1.00 O ATOM 959 CB VAL A 71 4.476 -11.495 -2.821 1.00 1.00 C ATOM 960 CG1 VAL A 71 3.984 -11.158 -4.220 1.00 1.00 C ATOM 961 CG2 VAL A 71 3.306 -11.779 -1.888 1.00 1.00 C ATOM 0 H VAL A 71 6.313 -12.521 -0.963 1.00 1.00 H new ATOM 0 HA VAL A 71 4.969 -13.520 -3.390 1.00 1.00 H new ATOM 0 HB VAL A 71 5.015 -10.631 -2.432 1.00 1.00 H new ATOM 0 HG11 VAL A 71 3.301 -10.310 -4.171 1.00 1.00 H new ATOM 0 HG12 VAL A 71 4.834 -10.904 -4.853 1.00 1.00 H new ATOM 0 HG13 VAL A 71 3.463 -12.019 -4.640 1.00 1.00 H new ATOM 0 HG21 VAL A 71 2.635 -10.920 -1.874 1.00 1.00 H new ATOM 0 HG22 VAL A 71 2.764 -12.657 -2.240 1.00 1.00 H new ATOM 0 HG23 VAL A 71 3.680 -11.963 -0.881 1.00 1.00 H new ATOM 971 N HIS A 72 7.156 -13.130 -4.529 1.00 1.00 N ATOM 972 CA HIS A 72 8.358 -12.843 -5.303 1.00 1.00 C ATOM 973 C HIS A 72 8.091 -12.957 -6.802 1.00 1.00 C ATOM 974 O HIS A 72 8.093 -14.051 -7.366 1.00 1.00 O ATOM 975 CB HIS A 72 9.492 -13.787 -4.895 1.00 1.00 C ATOM 976 CG HIS A 72 9.232 -15.224 -5.227 1.00 1.00 C ATOM 977 ND1 HIS A 72 8.197 -15.950 -4.675 1.00 1.00 N ATOM 978 CD2 HIS A 72 9.880 -16.071 -6.062 1.00 1.00 C ATOM 979 CE1 HIS A 72 8.220 -17.180 -5.156 1.00 1.00 C ATOM 980 NE2 HIS A 72 9.231 -17.279 -5.999 1.00 1.00 N ATOM 0 H HIS A 72 6.705 -14.016 -4.758 1.00 1.00 H new ATOM 0 HA HIS A 72 8.657 -11.817 -5.090 1.00 1.00 H new ATOM 0 HB2 HIS A 72 10.411 -13.470 -5.389 1.00 1.00 H new ATOM 0 HB3 HIS A 72 9.659 -13.696 -3.822 1.00 1.00 H new ATOM 0 HD2 HIS A 72 10.746 -15.839 -6.665 1.00 1.00 H new ATOM 0 HE1 HIS A 72 7.529 -17.970 -4.903 1.00 1.00 H new ATOM 0 HE2 HIS A 72 9.488 -18.118 -6.519 1.00 1.00 H new ATOM 989 N CYS A 73 7.871 -11.814 -7.442 1.00 1.00 N ATOM 990 CA CYS A 73 7.613 -11.772 -8.876 1.00 1.00 C ATOM 991 C CYS A 73 8.507 -10.733 -9.546 1.00 1.00 C ATOM 992 O CYS A 73 8.247 -9.533 -9.460 1.00 1.00 O ATOM 993 CB CYS A 73 6.140 -11.453 -9.143 1.00 1.00 C ATOM 994 SG CYS A 73 5.198 -12.842 -9.818 1.00 1.00 S ATOM 0 H CYS A 73 7.866 -10.901 -6.988 1.00 1.00 H new ATOM 0 HA CYS A 73 7.840 -12.751 -9.297 1.00 1.00 H new ATOM 0 HB2 CYS A 73 5.674 -11.129 -8.212 1.00 1.00 H new ATOM 0 HB3 CYS A 73 6.080 -10.615 -9.837 1.00 1.00 H new ATOM 0 HG CYS A 73 4.695 -12.507 -10.969 1.00 1.00 H new ATOM 1000 N SER A 74 9.566 -11.195 -10.203 1.00 1.00 N ATOM 1001 CA SER A 74 10.493 -10.289 -10.871 1.00 1.00 C ATOM 1002 C SER A 74 9.797 -9.495 -11.955 1.00 1.00 C ATOM 1003 O SER A 74 9.930 -8.272 -12.010 1.00 1.00 O ATOM 1004 CB SER A 74 11.680 -11.059 -11.453 1.00 1.00 C ATOM 1005 OG SER A 74 12.193 -11.989 -10.515 1.00 1.00 O ATOM 0 H SER A 74 9.802 -12.184 -10.287 1.00 1.00 H new ATOM 0 HA SER A 74 10.867 -9.588 -10.125 1.00 1.00 H new ATOM 0 HB2 SER A 74 11.370 -11.583 -12.357 1.00 1.00 H new ATOM 0 HB3 SER A 74 12.464 -10.360 -11.743 1.00 1.00 H new ATOM 0 HG SER A 74 12.950 -12.470 -10.911 1.00 1.00 H new ATOM 1011 N ASN A 75 9.032 -10.166 -12.802 1.00 1.00 N ATOM 1012 CA ASN A 75 8.317 -9.451 -13.837 1.00 1.00 C ATOM 1013 C ASN A 75 6.884 -9.225 -13.393 1.00 1.00 C ATOM 1014 O ASN A 75 6.009 -10.065 -13.608 1.00 1.00 O ATOM 1015 CB ASN A 75 8.347 -10.235 -15.151 1.00 1.00 C ATOM 1016 CG ASN A 75 9.512 -9.836 -16.035 1.00 1.00 C ATOM 1017 OD1 ASN A 75 10.145 -8.803 -15.819 1.00 1.00 O ATOM 1018 ND2 ASN A 75 9.800 -10.656 -17.039 1.00 1.00 N ATOM 0 H ASN A 75 8.894 -11.177 -12.793 1.00 1.00 H new ATOM 0 HA ASN A 75 8.801 -8.489 -14.005 1.00 1.00 H new ATOM 0 HB2 ASN A 75 8.408 -11.301 -14.933 1.00 1.00 H new ATOM 0 HB3 ASN A 75 7.413 -10.072 -15.689 1.00 1.00 H new ATOM 0 HD21 ASN A 75 10.573 -10.440 -17.668 1.00 1.00 H new ATOM 0 HD22 ASN A 75 9.248 -11.502 -17.181 1.00 1.00 H new ATOM 1025 N ASP A 76 6.656 -8.075 -12.777 1.00 1.00 N ATOM 1026 CA ASP A 76 5.327 -7.716 -12.299 1.00 1.00 C ATOM 1027 C ASP A 76 5.219 -6.214 -12.045 1.00 1.00 C ATOM 1028 O ASP A 76 6.153 -5.600 -11.528 1.00 1.00 O ATOM 1029 CB ASP A 76 4.995 -8.486 -11.021 1.00 1.00 C ATOM 1030 CG ASP A 76 3.560 -8.280 -10.579 1.00 1.00 C ATOM 1031 OD1 ASP A 76 2.663 -8.937 -11.149 1.00 1.00 O ATOM 1032 OD2 ASP A 76 3.332 -7.461 -9.664 1.00 1.00 O ATOM 0 H ASP A 76 7.374 -7.373 -12.596 1.00 1.00 H new ATOM 0 HA ASP A 76 4.609 -7.984 -13.074 1.00 1.00 H new ATOM 0 HB2 ASP A 76 5.173 -9.549 -11.184 1.00 1.00 H new ATOM 0 HB3 ASP A 76 5.667 -8.169 -10.224 1.00 1.00 H new ATOM 1037 N PRO A 77 4.074 -5.599 -12.391 1.00 1.00 N ATOM 1038 CA PRO A 77 3.867 -4.170 -12.177 1.00 1.00 C ATOM 1039 C PRO A 77 4.040 -3.786 -10.709 1.00 1.00 C ATOM 1040 O PRO A 77 4.292 -2.625 -10.386 1.00 1.00 O ATOM 1041 CB PRO A 77 2.423 -3.925 -12.624 1.00 1.00 C ATOM 1042 CG PRO A 77 2.032 -5.111 -13.435 1.00 1.00 C ATOM 1043 CD PRO A 77 2.905 -6.251 -13.003 1.00 1.00 C ATOM 0 HA PRO A 77 4.592 -3.572 -12.728 1.00 1.00 H new ATOM 0 HB2 PRO A 77 1.764 -3.807 -11.764 1.00 1.00 H new ATOM 0 HB3 PRO A 77 2.347 -3.010 -13.211 1.00 1.00 H new ATOM 0 HG2 PRO A 77 0.980 -5.352 -13.281 1.00 1.00 H new ATOM 0 HG3 PRO A 77 2.161 -4.909 -14.498 1.00 1.00 H new ATOM 0 HD2 PRO A 77 2.392 -6.898 -12.291 1.00 1.00 H new ATOM 0 HD3 PRO A 77 3.194 -6.874 -13.849 1.00 1.00 H new ATOM 1051 N LEU A 78 3.908 -4.771 -9.824 1.00 1.00 N ATOM 1052 CA LEU A 78 4.058 -4.537 -8.393 1.00 1.00 C ATOM 1053 C LEU A 78 5.533 -4.436 -8.025 1.00 1.00 C ATOM 1054 O LEU A 78 5.945 -3.522 -7.311 1.00 1.00 O ATOM 1055 CB LEU A 78 3.395 -5.662 -7.596 1.00 1.00 C ATOM 1056 CG LEU A 78 3.195 -5.370 -6.107 1.00 1.00 C ATOM 1057 CD1 LEU A 78 2.181 -4.254 -5.913 1.00 1.00 C ATOM 1058 CD2 LEU A 78 2.755 -6.628 -5.374 1.00 1.00 C ATOM 0 H LEU A 78 3.698 -5.737 -10.074 1.00 1.00 H new ATOM 0 HA LEU A 78 3.568 -3.596 -8.144 1.00 1.00 H new ATOM 0 HB2 LEU A 78 2.424 -5.879 -8.042 1.00 1.00 H new ATOM 0 HB3 LEU A 78 4.000 -6.563 -7.696 1.00 1.00 H new ATOM 0 HG LEU A 78 4.147 -5.043 -5.688 1.00 1.00 H new ATOM 0 HD11 LEU A 78 2.052 -4.061 -4.848 1.00 1.00 H new ATOM 0 HD12 LEU A 78 2.537 -3.349 -6.406 1.00 1.00 H new ATOM 0 HD13 LEU A 78 1.226 -4.551 -6.346 1.00 1.00 H new ATOM 0 HD21 LEU A 78 2.617 -6.403 -4.316 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.815 -6.984 -5.795 1.00 1.00 H new ATOM 0 HD23 LEU A 78 3.517 -7.399 -5.485 1.00 1.00 H new ATOM 1070 N GLY A 79 6.326 -5.379 -8.527 1.00 1.00 N ATOM 1071 CA GLY A 79 7.749 -5.373 -8.249 1.00 1.00 C ATOM 1072 C GLY A 79 8.414 -4.103 -8.737 1.00 1.00 C ATOM 1073 O GLY A 79 9.284 -3.549 -8.064 1.00 1.00 O ATOM 0 H GLY A 79 6.008 -6.145 -9.120 1.00 1.00 H new ATOM 0 HA2 GLY A 79 7.910 -5.478 -7.176 1.00 1.00 H new ATOM 0 HA3 GLY A 79 8.216 -6.234 -8.727 1.00 1.00 H new ATOM 1077 N GLU A 80 7.993 -3.634 -9.908 1.00 1.00 N ATOM 1078 CA GLU A 80 8.542 -2.415 -10.484 1.00 1.00 C ATOM 1079 C GLU A 80 8.083 -1.196 -9.686 1.00 1.00 C ATOM 1080 O GLU A 80 8.773 -0.178 -9.631 1.00 1.00 O ATOM 1081 CB GLU A 80 8.125 -2.287 -11.957 1.00 1.00 C ATOM 1082 CG GLU A 80 6.735 -1.705 -12.162 1.00 1.00 C ATOM 1083 CD GLU A 80 6.386 -1.532 -13.627 1.00 1.00 C ATOM 1084 OE1 GLU A 80 7.270 -1.111 -14.402 1.00 1.00 O ATOM 1085 OE2 GLU A 80 5.228 -1.817 -13.999 1.00 1.00 O ATOM 0 H GLU A 80 7.273 -4.081 -10.475 1.00 1.00 H new ATOM 0 HA GLU A 80 9.630 -2.465 -10.437 1.00 1.00 H new ATOM 0 HB2 GLU A 80 8.850 -1.659 -12.475 1.00 1.00 H new ATOM 0 HB3 GLU A 80 8.167 -3.272 -12.422 1.00 1.00 H new ATOM 0 HG2 GLU A 80 5.999 -2.357 -11.691 1.00 1.00 H new ATOM 0 HG3 GLU A 80 6.672 -0.739 -11.661 1.00 1.00 H new ATOM 1092 N LEU A 81 6.912 -1.315 -9.065 1.00 1.00 N ATOM 1093 CA LEU A 81 6.353 -0.233 -8.263 1.00 1.00 C ATOM 1094 C LEU A 81 7.154 -0.045 -6.980 1.00 1.00 C ATOM 1095 O LEU A 81 7.732 1.016 -6.745 1.00 1.00 O ATOM 1096 CB LEU A 81 4.890 -0.530 -7.925 1.00 1.00 C ATOM 1097 CG LEU A 81 4.178 0.554 -7.115 1.00 1.00 C ATOM 1098 CD1 LEU A 81 3.932 1.785 -7.971 1.00 1.00 C ATOM 1099 CD2 LEU A 81 2.867 0.022 -6.555 1.00 1.00 C ATOM 0 H LEU A 81 6.331 -2.153 -9.103 1.00 1.00 H new ATOM 0 HA LEU A 81 6.406 0.688 -8.844 1.00 1.00 H new ATOM 0 HB2 LEU A 81 4.343 -0.685 -8.855 1.00 1.00 H new ATOM 0 HB3 LEU A 81 4.845 -1.466 -7.369 1.00 1.00 H new ATOM 0 HG LEU A 81 4.819 0.840 -6.281 1.00 1.00 H new ATOM 0 HD11 LEU A 81 3.424 2.545 -7.377 1.00 1.00 H new ATOM 0 HD12 LEU A 81 4.885 2.178 -8.326 1.00 1.00 H new ATOM 0 HD13 LEU A 81 3.310 1.516 -8.825 1.00 1.00 H new ATOM 0 HD21 LEU A 81 2.372 0.805 -5.981 1.00 1.00 H new ATOM 0 HD22 LEU A 81 2.221 -0.290 -7.376 1.00 1.00 H new ATOM 0 HD23 LEU A 81 3.068 -0.831 -5.907 1.00 1.00 H new ATOM 1111 N PHE A 82 7.185 -1.085 -6.152 1.00 1.00 N ATOM 1112 CA PHE A 82 7.916 -1.038 -4.891 1.00 1.00 C ATOM 1113 C PHE A 82 9.422 -0.984 -5.133 1.00 1.00 C ATOM 1114 O PHE A 82 10.174 -0.462 -4.310 1.00 1.00 O ATOM 1115 CB PHE A 82 7.570 -2.255 -4.031 1.00 1.00 C ATOM 1116 CG PHE A 82 6.101 -2.397 -3.750 1.00 1.00 C ATOM 1117 CD1 PHE A 82 5.330 -1.286 -3.446 1.00 1.00 C ATOM 1118 CD2 PHE A 82 5.491 -3.640 -3.791 1.00 1.00 C ATOM 1119 CE1 PHE A 82 3.979 -1.414 -3.187 1.00 1.00 C ATOM 1120 CE2 PHE A 82 4.140 -3.774 -3.534 1.00 1.00 C ATOM 1121 CZ PHE A 82 3.383 -2.659 -3.231 1.00 1.00 C ATOM 0 H PHE A 82 6.712 -1.971 -6.332 1.00 1.00 H new ATOM 0 HA PHE A 82 7.619 -0.131 -4.363 1.00 1.00 H new ATOM 0 HB2 PHE A 82 7.924 -3.156 -4.532 1.00 1.00 H new ATOM 0 HB3 PHE A 82 8.107 -2.185 -3.085 1.00 1.00 H new ATOM 0 HD1 PHE A 82 5.790 -0.310 -3.411 1.00 1.00 H new ATOM 0 HD2 PHE A 82 6.079 -4.515 -4.027 1.00 1.00 H new ATOM 0 HE1 PHE A 82 3.389 -0.541 -2.950 1.00 1.00 H new ATOM 0 HE2 PHE A 82 3.677 -4.749 -3.570 1.00 1.00 H new ATOM 0 HZ PHE A 82 2.327 -2.761 -3.029 1.00 1.00 H new ATOM 1131 N GLY A 83 9.855 -1.526 -6.267 1.00 1.00 N ATOM 1132 CA GLY A 83 11.269 -1.527 -6.595 1.00 1.00 C ATOM 1133 C GLY A 83 11.989 -2.750 -6.060 1.00 1.00 C ATOM 1134 O GLY A 83 13.190 -2.703 -5.795 1.00 1.00 O ATOM 0 H GLY A 83 9.253 -1.964 -6.964 1.00 1.00 H new ATOM 0 HA2 GLY A 83 11.387 -1.484 -7.678 1.00 1.00 H new ATOM 0 HA3 GLY A 83 11.734 -0.629 -6.188 1.00 1.00 H new ATOM 1138 N VAL A 84 11.255 -3.846 -5.902 1.00 1.00 N ATOM 1139 CA VAL A 84 11.833 -5.086 -5.396 1.00 1.00 C ATOM 1140 C VAL A 84 11.342 -6.287 -6.196 1.00 1.00 C ATOM 1141 O VAL A 84 10.413 -6.176 -6.996 1.00 1.00 O ATOM 1142 CB VAL A 84 11.493 -5.300 -3.909 1.00 1.00 C ATOM 1143 CG1 VAL A 84 12.120 -4.209 -3.054 1.00 1.00 C ATOM 1144 CG2 VAL A 84 9.986 -5.347 -3.705 1.00 1.00 C ATOM 0 H VAL A 84 10.259 -3.901 -6.117 1.00 1.00 H new ATOM 0 HA VAL A 84 12.914 -4.998 -5.504 1.00 1.00 H new ATOM 0 HB VAL A 84 11.908 -6.258 -3.596 1.00 1.00 H new ATOM 0 HG11 VAL A 84 11.868 -4.378 -2.007 1.00 1.00 H new ATOM 0 HG12 VAL A 84 13.203 -4.229 -3.175 1.00 1.00 H new ATOM 0 HG13 VAL A 84 11.738 -3.237 -3.367 1.00 1.00 H new ATOM 0 HG21 VAL A 84 9.766 -5.499 -2.648 1.00 1.00 H new ATOM 0 HG22 VAL A 84 9.545 -4.407 -4.036 1.00 1.00 H new ATOM 0 HG23 VAL A 84 9.566 -6.169 -4.285 1.00 1.00 H new ATOM 1154 N GLN A 85 11.971 -7.437 -5.974 1.00 1.00 N ATOM 1155 CA GLN A 85 11.597 -8.661 -6.674 1.00 1.00 C ATOM 1156 C GLN A 85 10.892 -9.633 -5.733 1.00 1.00 C ATOM 1157 O GLN A 85 10.048 -10.422 -6.159 1.00 1.00 O ATOM 1158 CB GLN A 85 12.835 -9.326 -7.279 1.00 1.00 C ATOM 1159 CG GLN A 85 13.663 -8.393 -8.148 1.00 1.00 C ATOM 1160 CD GLN A 85 12.841 -7.715 -9.226 1.00 1.00 C ATOM 1161 OE1 GLN A 85 12.152 -6.728 -8.968 1.00 1.00 O ATOM 1162 NE2 GLN A 85 12.910 -8.243 -10.442 1.00 1.00 N ATOM 0 H GLN A 85 12.742 -7.547 -5.315 1.00 1.00 H new ATOM 0 HA GLN A 85 10.908 -8.395 -7.475 1.00 1.00 H new ATOM 0 HB2 GLN A 85 13.461 -9.710 -6.474 1.00 1.00 H new ATOM 0 HB3 GLN A 85 12.522 -10.183 -7.876 1.00 1.00 H new ATOM 0 HG2 GLN A 85 14.127 -7.633 -7.519 1.00 1.00 H new ATOM 0 HG3 GLN A 85 14.470 -8.958 -8.614 1.00 1.00 H new ATOM 0 HE21 GLN A 85 13.494 -9.062 -10.610 1.00 1.00 H new ATOM 0 HE22 GLN A 85 12.379 -7.830 -11.208 1.00 1.00 H new ATOM 1171 N GLU A 86 11.242 -9.570 -4.452 1.00 1.00 N ATOM 1172 CA GLU A 86 10.641 -10.444 -3.452 1.00 1.00 C ATOM 1173 C GLU A 86 10.440 -9.704 -2.135 1.00 1.00 C ATOM 1174 O GLU A 86 11.281 -8.903 -1.726 1.00 1.00 O ATOM 1175 CB GLU A 86 11.518 -11.678 -3.229 1.00 1.00 C ATOM 1176 CG GLU A 86 12.901 -11.352 -2.690 1.00 1.00 C ATOM 1177 CD GLU A 86 13.701 -12.594 -2.349 1.00 1.00 C ATOM 1178 OE1 GLU A 86 13.419 -13.213 -1.301 1.00 1.00 O ATOM 1179 OE2 GLU A 86 14.610 -12.948 -3.129 1.00 1.00 O ATOM 0 H GLU A 86 11.939 -8.923 -4.083 1.00 1.00 H new ATOM 0 HA GLU A 86 9.666 -10.762 -3.822 1.00 1.00 H new ATOM 0 HB2 GLU A 86 11.015 -12.350 -2.533 1.00 1.00 H new ATOM 0 HB3 GLU A 86 11.622 -12.215 -4.172 1.00 1.00 H new ATOM 0 HG2 GLU A 86 13.446 -10.765 -3.429 1.00 1.00 H new ATOM 0 HG3 GLU A 86 12.803 -10.731 -1.799 1.00 1.00 H new ATOM 1186 N PHE A 87 9.319 -9.977 -1.475 1.00 1.00 N ATOM 1187 CA PHE A 87 9.007 -9.334 -0.204 1.00 1.00 C ATOM 1188 C PHE A 87 7.940 -10.117 0.556 1.00 1.00 C ATOM 1189 O PHE A 87 6.918 -10.503 -0.011 1.00 1.00 O ATOM 1190 CB PHE A 87 8.532 -7.899 -0.441 1.00 1.00 C ATOM 1191 CG PHE A 87 7.187 -7.812 -1.105 1.00 1.00 C ATOM 1192 CD1 PHE A 87 7.071 -7.905 -2.482 1.00 1.00 C ATOM 1193 CD2 PHE A 87 6.038 -7.640 -0.349 1.00 1.00 C ATOM 1194 CE1 PHE A 87 5.835 -7.827 -3.094 1.00 1.00 C ATOM 1195 CE2 PHE A 87 4.799 -7.561 -0.955 1.00 1.00 C ATOM 1196 CZ PHE A 87 4.697 -7.655 -2.330 1.00 1.00 C ATOM 0 H PHE A 87 8.613 -10.638 -1.799 1.00 1.00 H new ATOM 0 HA PHE A 87 9.915 -9.316 0.399 1.00 1.00 H new ATOM 0 HB2 PHE A 87 8.490 -7.377 0.515 1.00 1.00 H new ATOM 0 HB3 PHE A 87 9.266 -7.379 -1.057 1.00 1.00 H new ATOM 0 HD1 PHE A 87 7.957 -8.040 -3.084 1.00 1.00 H new ATOM 0 HD2 PHE A 87 6.112 -7.567 0.726 1.00 1.00 H new ATOM 0 HE1 PHE A 87 5.758 -7.900 -4.169 1.00 1.00 H new ATOM 0 HE2 PHE A 87 3.911 -7.426 -0.355 1.00 1.00 H new ATOM 0 HZ PHE A 87 3.730 -7.594 -2.806 1.00 1.00 H new ATOM 1206 N SER A 88 8.182 -10.343 1.843 1.00 1.00 N ATOM 1207 CA SER A 88 7.238 -11.073 2.680 1.00 1.00 C ATOM 1208 C SER A 88 6.116 -10.154 3.149 1.00 1.00 C ATOM 1209 O SER A 88 6.338 -8.970 3.402 1.00 1.00 O ATOM 1210 CB SER A 88 7.955 -11.681 3.887 1.00 1.00 C ATOM 1211 OG SER A 88 9.336 -11.860 3.624 1.00 1.00 O ATOM 0 H SER A 88 9.023 -10.031 2.328 1.00 1.00 H new ATOM 0 HA SER A 88 6.805 -11.877 2.085 1.00 1.00 H new ATOM 0 HB2 SER A 88 7.828 -11.032 4.754 1.00 1.00 H new ATOM 0 HB3 SER A 88 7.502 -12.640 4.137 1.00 1.00 H new ATOM 0 HG SER A 88 9.771 -12.248 4.412 1.00 1.00 H new ATOM 1217 N VAL A 89 4.910 -10.702 3.263 1.00 1.00 N ATOM 1218 CA VAL A 89 3.760 -9.918 3.703 1.00 1.00 C ATOM 1219 C VAL A 89 3.613 -9.940 5.223 1.00 1.00 C ATOM 1220 O VAL A 89 2.587 -9.521 5.760 1.00 1.00 O ATOM 1221 CB VAL A 89 2.445 -10.409 3.065 1.00 1.00 C ATOM 1222 CG1 VAL A 89 2.275 -9.814 1.676 1.00 1.00 C ATOM 1223 CG2 VAL A 89 2.394 -11.928 3.012 1.00 1.00 C ATOM 0 H VAL A 89 4.704 -11.680 3.058 1.00 1.00 H new ATOM 0 HA VAL A 89 3.949 -8.896 3.374 1.00 1.00 H new ATOM 0 HB VAL A 89 1.618 -10.071 3.690 1.00 1.00 H new ATOM 0 HG11 VAL A 89 1.342 -10.170 1.239 1.00 1.00 H new ATOM 0 HG12 VAL A 89 2.251 -8.727 1.746 1.00 1.00 H new ATOM 0 HG13 VAL A 89 3.110 -10.118 1.045 1.00 1.00 H new ATOM 0 HG21 VAL A 89 1.455 -12.245 2.557 1.00 1.00 H new ATOM 0 HG22 VAL A 89 3.229 -12.300 2.418 1.00 1.00 H new ATOM 0 HG23 VAL A 89 2.461 -12.330 4.023 1.00 1.00 H new ATOM 1233 N LYS A 90 4.642 -10.424 5.916 1.00 1.00 N ATOM 1234 CA LYS A 90 4.617 -10.487 7.372 1.00 1.00 C ATOM 1235 C LYS A 90 4.857 -9.106 7.973 1.00 1.00 C ATOM 1236 O LYS A 90 4.266 -8.749 8.992 1.00 1.00 O ATOM 1237 CB LYS A 90 5.674 -11.469 7.881 1.00 1.00 C ATOM 1238 CG LYS A 90 5.446 -11.918 9.315 1.00 1.00 C ATOM 1239 CD LYS A 90 6.635 -12.698 9.850 1.00 1.00 C ATOM 1240 CE LYS A 90 6.476 -14.191 9.609 1.00 1.00 C ATOM 1241 NZ LYS A 90 5.862 -14.880 10.778 1.00 1.00 N ATOM 0 H LYS A 90 5.500 -10.777 5.492 1.00 1.00 H new ATOM 0 HA LYS A 90 3.632 -10.836 7.682 1.00 1.00 H new ATOM 0 HB2 LYS A 90 5.687 -12.345 7.232 1.00 1.00 H new ATOM 0 HB3 LYS A 90 6.657 -11.003 7.807 1.00 1.00 H new ATOM 0 HG2 LYS A 90 5.267 -11.047 9.946 1.00 1.00 H new ATOM 0 HG3 LYS A 90 4.551 -12.538 9.365 1.00 1.00 H new ATOM 0 HD2 LYS A 90 7.548 -12.346 9.370 1.00 1.00 H new ATOM 0 HD3 LYS A 90 6.744 -12.510 10.918 1.00 1.00 H new ATOM 0 HE2 LYS A 90 5.857 -14.352 8.726 1.00 1.00 H new ATOM 0 HE3 LYS A 90 7.451 -14.631 9.399 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 5.771 -15.896 10.574 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 6.465 -14.748 11.615 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 4.921 -14.478 10.963 1.00 1.00 H new ATOM 1255 N GLU A 91 5.725 -8.332 7.329 1.00 1.00 N ATOM 1256 CA GLU A 91 6.041 -6.986 7.793 1.00 1.00 C ATOM 1257 C GLU A 91 5.012 -5.985 7.279 1.00 1.00 C ATOM 1258 O GLU A 91 5.290 -5.201 6.372 1.00 1.00 O ATOM 1259 CB GLU A 91 7.442 -6.580 7.332 1.00 1.00 C ATOM 1260 CG GLU A 91 8.551 -7.417 7.949 1.00 1.00 C ATOM 1261 CD GLU A 91 8.895 -6.981 9.360 1.00 1.00 C ATOM 1262 OE1 GLU A 91 8.091 -7.249 10.277 1.00 1.00 O ATOM 1263 OE2 GLU A 91 9.969 -6.371 9.547 1.00 1.00 O ATOM 0 H GLU A 91 6.222 -8.614 6.484 1.00 1.00 H new ATOM 0 HA GLU A 91 6.013 -6.985 8.883 1.00 1.00 H new ATOM 0 HB2 GLU A 91 7.497 -6.663 6.247 1.00 1.00 H new ATOM 0 HB3 GLU A 91 7.608 -5.532 7.581 1.00 1.00 H new ATOM 0 HG2 GLU A 91 8.248 -8.464 7.960 1.00 1.00 H new ATOM 0 HG3 GLU A 91 9.442 -7.350 7.325 1.00 1.00 H new ATOM 1270 N HIS A 92 3.819 -6.022 7.863 1.00 1.00 N ATOM 1271 CA HIS A 92 2.739 -5.124 7.467 1.00 1.00 C ATOM 1272 C HIS A 92 3.190 -3.666 7.503 1.00 1.00 C ATOM 1273 O HIS A 92 2.668 -2.828 6.769 1.00 1.00 O ATOM 1274 CB HIS A 92 1.530 -5.319 8.384 1.00 1.00 C ATOM 1275 CG HIS A 92 0.752 -6.565 8.090 1.00 1.00 C ATOM 1276 ND1 HIS A 92 -0.251 -7.036 8.911 1.00 1.00 N ATOM 1277 CD2 HIS A 92 0.832 -7.439 7.057 1.00 1.00 C ATOM 1278 CE1 HIS A 92 -0.752 -8.146 8.398 1.00 1.00 C ATOM 1279 NE2 HIS A 92 -0.113 -8.411 7.274 1.00 1.00 N ATOM 0 H HIS A 92 3.575 -6.666 8.615 1.00 1.00 H new ATOM 0 HA HIS A 92 2.458 -5.367 6.442 1.00 1.00 H new ATOM 0 HB2 HIS A 92 1.870 -5.348 9.419 1.00 1.00 H new ATOM 0 HB3 HIS A 92 0.870 -4.457 8.290 1.00 1.00 H new ATOM 0 HD2 HIS A 92 1.512 -7.382 6.220 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -1.549 -8.736 8.826 1.00 1.00 H new ATOM 0 HE2 HIS A 92 -0.292 -9.209 6.665 1.00 1.00 H new ATOM 1288 N ARG A 93 4.160 -3.370 8.362 1.00 1.00 N ATOM 1289 CA ARG A 93 4.677 -2.013 8.491 1.00 1.00 C ATOM 1290 C ARG A 93 5.448 -1.599 7.241 1.00 1.00 C ATOM 1291 O ARG A 93 5.422 -0.435 6.841 1.00 1.00 O ATOM 1292 CB ARG A 93 5.580 -1.904 9.721 1.00 1.00 C ATOM 1293 CG ARG A 93 6.777 -2.838 9.677 1.00 1.00 C ATOM 1294 CD ARG A 93 7.307 -3.135 11.071 1.00 1.00 C ATOM 1295 NE ARG A 93 6.495 -4.131 11.768 1.00 1.00 N ATOM 1296 CZ ARG A 93 5.511 -3.834 12.616 1.00 1.00 C ATOM 1297 NH1 ARG A 93 5.202 -2.569 12.876 1.00 1.00 N ATOM 1298 NH2 ARG A 93 4.832 -4.808 13.206 1.00 1.00 N ATOM 0 H ARG A 93 4.603 -4.051 8.978 1.00 1.00 H new ATOM 0 HA ARG A 93 3.828 -1.339 8.610 1.00 1.00 H new ATOM 0 HB2 ARG A 93 5.933 -0.877 9.813 1.00 1.00 H new ATOM 0 HB3 ARG A 93 4.993 -2.120 10.614 1.00 1.00 H new ATOM 0 HG2 ARG A 93 6.494 -3.770 9.189 1.00 1.00 H new ATOM 0 HG3 ARG A 93 7.567 -2.390 9.075 1.00 1.00 H new ATOM 0 HD2 ARG A 93 8.334 -3.492 10.999 1.00 1.00 H new ATOM 0 HD3 ARG A 93 7.329 -2.214 11.654 1.00 1.00 H new ATOM 0 HE ARG A 93 6.694 -5.116 11.594 1.00 1.00 H new ATOM 0 HH11 ARG A 93 5.720 -1.815 12.425 1.00 1.00 H new ATOM 0 HH12 ARG A 93 4.447 -2.352 13.527 1.00 1.00 H new ATOM 0 HH21 ARG A 93 5.063 -5.782 13.010 1.00 1.00 H new ATOM 0 HH22 ARG A 93 4.078 -4.583 13.856 1.00 1.00 H new ATOM 1312 N ARG A 94 6.135 -2.559 6.630 1.00 1.00 N ATOM 1313 CA ARG A 94 6.916 -2.293 5.427 1.00 1.00 C ATOM 1314 C ARG A 94 6.006 -2.013 4.234 1.00 1.00 C ATOM 1315 O ARG A 94 6.144 -0.990 3.563 1.00 1.00 O ATOM 1316 CB ARG A 94 7.835 -3.478 5.120 1.00 1.00 C ATOM 1317 CG ARG A 94 9.300 -3.093 4.995 1.00 1.00 C ATOM 1318 CD ARG A 94 10.014 -3.948 3.961 1.00 1.00 C ATOM 1319 NE ARG A 94 10.635 -5.127 4.560 1.00 1.00 N ATOM 1320 CZ ARG A 94 11.083 -6.166 3.858 1.00 1.00 C ATOM 1321 NH1 ARG A 94 10.982 -6.176 2.535 1.00 1.00 N ATOM 1322 NH2 ARG A 94 11.634 -7.199 4.482 1.00 1.00 N ATOM 0 H ARG A 94 6.167 -3.528 6.948 1.00 1.00 H new ATOM 0 HA ARG A 94 7.525 -1.407 5.607 1.00 1.00 H new ATOM 0 HB2 ARG A 94 7.729 -4.223 5.908 1.00 1.00 H new ATOM 0 HB3 ARG A 94 7.511 -3.948 4.192 1.00 1.00 H new ATOM 0 HG2 ARG A 94 9.379 -2.042 4.717 1.00 1.00 H new ATOM 0 HG3 ARG A 94 9.790 -3.204 5.962 1.00 1.00 H new ATOM 0 HD2 ARG A 94 9.303 -4.262 3.197 1.00 1.00 H new ATOM 0 HD3 ARG A 94 10.777 -3.351 3.461 1.00 1.00 H new ATOM 0 HE ARG A 94 10.731 -5.156 5.575 1.00 1.00 H new ATOM 0 HH11 ARG A 94 10.559 -5.385 2.050 1.00 1.00 H new ATOM 0 HH12 ARG A 94 11.327 -6.975 2.003 1.00 1.00 H new ATOM 0 HH21 ARG A 94 11.714 -7.197 5.499 1.00 1.00 H new ATOM 0 HH22 ARG A 94 11.977 -7.995 3.945 1.00 1.00 H new ATOM 1336 N ILE A 95 5.075 -2.928 3.977 1.00 1.00 N ATOM 1337 CA ILE A 95 4.141 -2.781 2.864 1.00 1.00 C ATOM 1338 C ILE A 95 3.414 -1.440 2.928 1.00 1.00 C ATOM 1339 O ILE A 95 3.422 -0.673 1.965 1.00 1.00 O ATOM 1340 CB ILE A 95 3.103 -3.918 2.850 1.00 1.00 C ATOM 1341 CG1 ILE A 95 3.809 -5.275 2.848 1.00 1.00 C ATOM 1342 CG2 ILE A 95 2.187 -3.785 1.641 1.00 1.00 C ATOM 1343 CD1 ILE A 95 2.865 -6.450 2.725 1.00 1.00 C ATOM 0 H ILE A 95 4.947 -3.779 4.524 1.00 1.00 H new ATOM 0 HA ILE A 95 4.730 -2.826 1.948 1.00 1.00 H new ATOM 0 HB ILE A 95 2.492 -3.848 3.750 1.00 1.00 H new ATOM 0 HG12 ILE A 95 4.520 -5.304 2.023 1.00 1.00 H new ATOM 0 HG13 ILE A 95 4.384 -5.377 3.768 1.00 1.00 H new ATOM 0 HG21 ILE A 95 1.459 -4.596 1.645 1.00 1.00 H new ATOM 0 HG22 ILE A 95 1.665 -2.829 1.683 1.00 1.00 H new ATOM 0 HG23 ILE A 95 2.780 -3.835 0.728 1.00 1.00 H new ATOM 0 HD11 ILE A 95 3.437 -7.378 2.731 1.00 1.00 H new ATOM 0 HD12 ILE A 95 2.169 -6.447 3.564 1.00 1.00 H new ATOM 0 HD13 ILE A 95 2.308 -6.373 1.791 1.00 1.00 H new ATOM 1355 N TYR A 96 2.790 -1.164 4.069 1.00 1.00 N ATOM 1356 CA TYR A 96 2.061 0.086 4.261 1.00 1.00 C ATOM 1357 C TYR A 96 2.938 1.283 3.909 1.00 1.00 C ATOM 1358 O TYR A 96 2.458 2.282 3.372 1.00 1.00 O ATOM 1359 CB TYR A 96 1.577 0.196 5.708 1.00 1.00 C ATOM 1360 CG TYR A 96 0.607 1.331 5.941 1.00 1.00 C ATOM 1361 CD1 TYR A 96 1.065 2.622 6.172 1.00 1.00 C ATOM 1362 CD2 TYR A 96 -0.765 1.111 5.934 1.00 1.00 C ATOM 1363 CE1 TYR A 96 0.183 3.663 6.391 1.00 1.00 C ATOM 1364 CE2 TYR A 96 -1.653 2.148 6.151 1.00 1.00 C ATOM 1365 CZ TYR A 96 -1.174 3.421 6.380 1.00 1.00 C ATOM 1366 OH TYR A 96 -2.054 4.456 6.599 1.00 1.00 O ATOM 0 H TYR A 96 2.774 -1.789 4.875 1.00 1.00 H new ATOM 0 HA TYR A 96 1.197 0.085 3.596 1.00 1.00 H new ATOM 0 HB2 TYR A 96 1.101 -0.742 5.994 1.00 1.00 H new ATOM 0 HB3 TYR A 96 2.440 0.328 6.361 1.00 1.00 H new ATOM 0 HD1 TYR A 96 2.128 2.815 6.181 1.00 1.00 H new ATOM 0 HD2 TYR A 96 -1.143 0.115 5.756 1.00 1.00 H new ATOM 0 HE1 TYR A 96 0.555 4.661 6.570 1.00 1.00 H new ATOM 0 HE2 TYR A 96 -2.717 1.962 6.141 1.00 1.00 H new ATOM 0 HH TYR A 96 -1.660 5.294 6.278 1.00 1.00 H new ATOM 1376 N ALA A 97 4.229 1.170 4.207 1.00 1.00 N ATOM 1377 CA ALA A 97 5.176 2.237 3.914 1.00 1.00 C ATOM 1378 C ALA A 97 5.559 2.227 2.438 1.00 1.00 C ATOM 1379 O ALA A 97 5.753 3.279 1.828 1.00 1.00 O ATOM 1380 CB ALA A 97 6.416 2.099 4.784 1.00 1.00 C ATOM 0 H ALA A 97 4.642 0.350 4.651 1.00 1.00 H new ATOM 0 HA ALA A 97 4.698 3.191 4.138 1.00 1.00 H new ATOM 0 HB1 ALA A 97 7.114 2.904 4.553 1.00 1.00 H new ATOM 0 HB2 ALA A 97 6.131 2.156 5.835 1.00 1.00 H new ATOM 0 HB3 ALA A 97 6.892 1.138 4.589 1.00 1.00 H new ATOM 1386 N MET A 98 5.659 1.029 1.870 1.00 1.00 N ATOM 1387 CA MET A 98 6.012 0.875 0.463 1.00 1.00 C ATOM 1388 C MET A 98 4.999 1.589 -0.426 1.00 1.00 C ATOM 1389 O MET A 98 5.326 2.570 -1.096 1.00 1.00 O ATOM 1390 CB MET A 98 6.076 -0.609 0.092 1.00 1.00 C ATOM 1391 CG MET A 98 7.208 -1.359 0.775 1.00 1.00 C ATOM 1392 SD MET A 98 8.011 -2.551 -0.314 1.00 1.00 S ATOM 1393 CE MET A 98 6.618 -3.576 -0.780 1.00 1.00 C ATOM 0 H MET A 98 5.500 0.150 2.363 1.00 1.00 H new ATOM 0 HA MET A 98 6.993 1.324 0.305 1.00 1.00 H new ATOM 0 HB2 MET A 98 5.129 -1.081 0.353 1.00 1.00 H new ATOM 0 HB3 MET A 98 6.191 -0.700 -0.988 1.00 1.00 H new ATOM 0 HG2 MET A 98 7.949 -0.644 1.132 1.00 1.00 H new ATOM 0 HG3 MET A 98 6.818 -1.878 1.650 1.00 1.00 H new ATOM 0 HE1 MET A 98 6.928 -4.284 -1.549 1.00 1.00 H new ATOM 0 HE2 MET A 98 6.260 -4.122 0.093 1.00 1.00 H new ATOM 0 HE3 MET A 98 5.817 -2.947 -1.168 1.00 1.00 H new ATOM 1403 N ILE A 99 3.766 1.093 -0.422 1.00 1.00 N ATOM 1404 CA ILE A 99 2.697 1.682 -1.221 1.00 1.00 C ATOM 1405 C ILE A 99 2.551 3.172 -0.932 1.00 1.00 C ATOM 1406 O ILE A 99 2.261 3.962 -1.829 1.00 1.00 O ATOM 1407 CB ILE A 99 1.348 0.986 -0.954 1.00 1.00 C ATOM 1408 CG1 ILE A 99 1.075 0.908 0.550 1.00 1.00 C ATOM 1409 CG2 ILE A 99 1.335 -0.403 -1.574 1.00 1.00 C ATOM 1410 CD1 ILE A 99 0.148 1.992 1.054 1.00 1.00 C ATOM 0 H ILE A 99 3.482 0.282 0.127 1.00 1.00 H new ATOM 0 HA ILE A 99 2.971 1.542 -2.267 1.00 1.00 H new ATOM 0 HB ILE A 99 0.556 1.576 -1.416 1.00 1.00 H new ATOM 0 HG12 ILE A 99 0.643 -0.065 0.782 1.00 1.00 H new ATOM 0 HG13 ILE A 99 2.022 0.973 1.087 1.00 1.00 H new ATOM 0 HG21 ILE A 99 0.375 -0.881 -1.376 1.00 1.00 H new ATOM 0 HG22 ILE A 99 1.485 -0.322 -2.651 1.00 1.00 H new ATOM 0 HG23 ILE A 99 2.135 -1.003 -1.140 1.00 1.00 H new ATOM 0 HD11 ILE A 99 -0.000 1.874 2.127 1.00 1.00 H new ATOM 0 HD12 ILE A 99 0.588 2.969 0.853 1.00 1.00 H new ATOM 0 HD13 ILE A 99 -0.813 1.915 0.545 1.00 1.00 H new ATOM 1422 N SER A 100 2.752 3.547 0.328 1.00 1.00 N ATOM 1423 CA SER A 100 2.642 4.942 0.739 1.00 1.00 C ATOM 1424 C SER A 100 3.571 5.833 -0.080 1.00 1.00 C ATOM 1425 O SER A 100 3.161 6.880 -0.581 1.00 1.00 O ATOM 1426 CB SER A 100 2.965 5.083 2.228 1.00 1.00 C ATOM 1427 OG SER A 100 2.805 6.423 2.660 1.00 1.00 O ATOM 0 H SER A 100 2.992 2.903 1.082 1.00 1.00 H new ATOM 0 HA SER A 100 1.616 5.263 0.562 1.00 1.00 H new ATOM 0 HB2 SER A 100 2.313 4.430 2.808 1.00 1.00 H new ATOM 0 HB3 SER A 100 3.989 4.758 2.414 1.00 1.00 H new ATOM 0 HG SER A 100 3.016 6.486 3.615 1.00 1.00 H new ATOM 1433 N ARG A 101 4.824 5.411 -0.211 1.00 1.00 N ATOM 1434 CA ARG A 101 5.812 6.171 -0.969 1.00 1.00 C ATOM 1435 C ARG A 101 5.359 6.375 -2.412 1.00 1.00 C ATOM 1436 O ARG A 101 5.761 7.337 -3.067 1.00 1.00 O ATOM 1437 CB ARG A 101 7.164 5.455 -0.944 1.00 1.00 C ATOM 1438 CG ARG A 101 7.841 5.481 0.417 1.00 1.00 C ATOM 1439 CD ARG A 101 9.229 4.865 0.359 1.00 1.00 C ATOM 1440 NE ARG A 101 10.275 5.881 0.265 1.00 1.00 N ATOM 1441 CZ ARG A 101 11.578 5.607 0.285 1.00 1.00 C ATOM 1442 NH1 ARG A 101 11.999 4.354 0.396 1.00 1.00 N ATOM 1443 NH2 ARG A 101 12.463 6.591 0.193 1.00 1.00 N ATOM 0 H ARG A 101 5.180 4.547 0.198 1.00 1.00 H new ATOM 0 HA ARG A 101 5.916 7.150 -0.500 1.00 1.00 H new ATOM 0 HB2 ARG A 101 7.023 4.419 -1.250 1.00 1.00 H new ATOM 0 HB3 ARG A 101 7.824 5.917 -1.678 1.00 1.00 H new ATOM 0 HG2 ARG A 101 7.913 6.510 0.770 1.00 1.00 H new ATOM 0 HG3 ARG A 101 7.231 4.938 1.139 1.00 1.00 H new ATOM 0 HD2 ARG A 101 9.393 4.257 1.248 1.00 1.00 H new ATOM 0 HD3 ARG A 101 9.294 4.197 -0.500 1.00 1.00 H new ATOM 0 HE ARG A 101 9.991 6.857 0.179 1.00 1.00 H new ATOM 0 HH11 ARG A 101 11.323 3.593 0.467 1.00 1.00 H new ATOM 0 HH12 ARG A 101 12.999 4.151 0.411 1.00 1.00 H new ATOM 0 HH21 ARG A 101 12.145 7.556 0.107 1.00 1.00 H new ATOM 0 HH22 ARG A 101 13.461 6.382 0.208 1.00 1.00 H new ATOM 1457 N ASN A 102 4.525 5.465 -2.905 1.00 1.00 N ATOM 1458 CA ASN A 102 4.025 5.549 -4.272 1.00 1.00 C ATOM 1459 C ASN A 102 2.648 6.207 -4.319 1.00 1.00 C ATOM 1460 O ASN A 102 1.754 5.750 -5.032 1.00 1.00 O ATOM 1461 CB ASN A 102 3.962 4.154 -4.899 1.00 1.00 C ATOM 1462 CG ASN A 102 5.228 3.806 -5.660 1.00 1.00 C ATOM 1463 OD1 ASN A 102 5.268 3.887 -6.887 1.00 1.00 O ATOM 1464 ND2 ASN A 102 6.274 3.421 -4.935 1.00 1.00 N ATOM 0 H ASN A 102 4.182 4.662 -2.379 1.00 1.00 H new ATOM 0 HA ASN A 102 4.716 6.168 -4.844 1.00 1.00 H new ATOM 0 HB2 ASN A 102 3.796 3.414 -4.116 1.00 1.00 H new ATOM 0 HB3 ASN A 102 3.108 4.100 -5.575 1.00 1.00 H new ATOM 0 HD21 ASN A 102 7.152 3.179 -5.395 1.00 1.00 H new ATOM 0 HD22 ASN A 102 6.198 3.367 -3.919 1.00 1.00 H new ATOM 1471 N LEU A 103 2.484 7.286 -3.559 1.00 1.00 N ATOM 1472 CA LEU A 103 1.215 8.007 -3.520 1.00 1.00 C ATOM 1473 C LEU A 103 1.424 9.495 -3.781 1.00 1.00 C ATOM 1474 O LEU A 103 2.037 10.195 -2.974 1.00 1.00 O ATOM 1475 CB LEU A 103 0.532 7.812 -2.165 1.00 1.00 C ATOM 1476 CG LEU A 103 0.381 6.359 -1.716 1.00 1.00 C ATOM 1477 CD1 LEU A 103 -0.387 6.285 -0.407 1.00 1.00 C ATOM 1478 CD2 LEU A 103 -0.315 5.538 -2.791 1.00 1.00 C ATOM 0 H LEU A 103 3.212 7.680 -2.963 1.00 1.00 H new ATOM 0 HA LEU A 103 0.576 7.603 -4.305 1.00 1.00 H new ATOM 0 HB2 LEU A 103 1.101 8.352 -1.408 1.00 1.00 H new ATOM 0 HB3 LEU A 103 -0.457 8.268 -2.206 1.00 1.00 H new ATOM 0 HG LEU A 103 1.375 5.942 -1.556 1.00 1.00 H new ATOM 0 HD11 LEU A 103 -0.486 5.243 -0.101 1.00 1.00 H new ATOM 0 HD12 LEU A 103 0.151 6.839 0.362 1.00 1.00 H new ATOM 0 HD13 LEU A 103 -1.378 6.719 -0.541 1.00 1.00 H new ATOM 0 HD21 LEU A 103 -0.414 4.506 -2.454 1.00 1.00 H new ATOM 0 HD22 LEU A 103 -1.304 5.953 -2.983 1.00 1.00 H new ATOM 0 HD23 LEU A 103 0.274 5.565 -3.708 1.00 1.00 H new ATOM 1490 N VAL A 104 0.909 9.974 -4.909 1.00 1.00 N ATOM 1491 CA VAL A 104 1.041 11.382 -5.265 1.00 1.00 C ATOM 1492 C VAL A 104 0.311 12.269 -4.260 1.00 1.00 C ATOM 1493 O VAL A 104 0.897 13.193 -3.694 1.00 1.00 O ATOM 1494 CB VAL A 104 0.505 11.664 -6.685 1.00 1.00 C ATOM 1495 CG1 VAL A 104 1.389 10.998 -7.728 1.00 1.00 C ATOM 1496 CG2 VAL A 104 -0.938 11.200 -6.830 1.00 1.00 C ATOM 0 H VAL A 104 0.399 9.411 -5.589 1.00 1.00 H new ATOM 0 HA VAL A 104 2.105 11.616 -5.245 1.00 1.00 H new ATOM 0 HB VAL A 104 0.527 12.742 -6.847 1.00 1.00 H new ATOM 0 HG11 VAL A 104 0.997 11.207 -8.724 1.00 1.00 H new ATOM 0 HG12 VAL A 104 2.404 11.388 -7.648 1.00 1.00 H new ATOM 0 HG13 VAL A 104 1.401 9.921 -7.561 1.00 1.00 H new ATOM 0 HG21 VAL A 104 -1.288 11.412 -7.840 1.00 1.00 H new ATOM 0 HG22 VAL A 104 -0.996 10.128 -6.643 1.00 1.00 H new ATOM 0 HG23 VAL A 104 -1.564 11.728 -6.111 1.00 1.00 H new