USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 628 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 18 ASN : amide:sc= -0.926 K(o=-1.9,f=-1.2) USER MOD Set 1.2: A 87 GLN : amide:sc= -1.01 K(o=-1.9,f=-2.9) USER MOD Set 2.1: A 80 MET CE :methyl -121:sc= -4.15! (180deg=-4.96!) USER MOD Set 2.2: A 84 GLN : amide:sc= -2.78! K(o=-6.9!,f=-3.7) USER MOD Set 3.1: A 55 GLN : amide:sc= -0.192 X(o=-1.6,f=-2.1) USER MOD Set 3.2: A 57 LYS NZ :NH3+ -131:sc= -0.147 (180deg=-2.1!) USER MOD Set 3.3: A 67 SER OG : rot -13:sc= -1.31 USER MOD Set 4.1: A 26 GLN : amide:sc= -0.632 X(o=1,f=1.4) USER MOD Set 4.2: A 48 SER OG : rot 156:sc= 1.64 USER MOD Single : A 14 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.057) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 22 LYS NZ :NH3+ -137:sc= 0.27 (180deg=-0.0308) USER MOD Single : A 23 ASN : amide:sc= -1.13 K(o=-1.1,f=-1.7!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -21:sc= 0.373 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc=-0.00223 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -159:sc= -0.454 (180deg=-0.911) USER MOD Single : A 52 ASN : amide:sc= -0.0197 K(o=-0.02,f=-1) USER MOD Single : A 53 THR OG1 : rot 42:sc= 0.134 USER MOD Single : A 58 TYR OH : rot -39:sc= -1.16! USER MOD Single : A 63 ASN : amide:sc= -0.251 K(o=-0.25,f=-0.89) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.942 K(o=-0.94,f=-2.3!) USER MOD Single : A 74 TYR OH : rot 180:sc= -3.09! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 165:sc= 0.315 (180deg=0.236) USER MOD Single : A 86 ASN : amide:sc= -0.694 X(o=-0.69,f=-1.1) USER MOD Single : A 89 GLN : amide:sc= -0.0146 K(o=-0.015,f=-1) USER MOD Single : A 90 MET CE :methyl -153:sc= -0.144 (180deg=-0.534) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 93 HIS : no HD1:sc= -0.107 X(o=-0.11,f=0.016) USER MOD ----------------------------------------------------------------- ATOM 154 N GLN A 14 -2.102 -10.204 8.907 1.00 0.00 N ATOM 155 CA GLN A 14 -0.771 -9.685 8.646 1.00 0.00 C ATOM 156 C GLN A 14 -0.462 -9.746 7.149 1.00 0.00 C ATOM 157 O GLN A 14 -0.122 -10.805 6.623 1.00 0.00 O ATOM 158 CB GLN A 14 0.283 -10.446 9.454 1.00 0.00 C ATOM 159 CG GLN A 14 0.210 -10.074 10.936 1.00 0.00 C ATOM 160 CD GLN A 14 0.644 -11.248 11.818 1.00 0.00 C ATOM 161 OE1 GLN A 14 1.554 -11.149 12.624 1.00 0.00 O ATOM 162 NE2 GLN A 14 -0.057 -12.361 11.620 1.00 0.00 N ATOM 0 HA GLN A 14 -0.741 -8.642 8.962 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.132 -11.519 9.337 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.277 -10.220 9.067 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.849 -9.213 11.130 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.808 -9.780 11.191 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.807 -12.375 10.929 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.155 -13.200 12.160 1.00 0.00 H new ATOM 171 N VAL A 15 -0.590 -8.595 6.504 1.00 0.00 N ATOM 172 CA VAL A 15 -0.329 -8.504 5.077 1.00 0.00 C ATOM 173 C VAL A 15 1.084 -7.961 4.856 1.00 0.00 C ATOM 174 O VAL A 15 1.567 -7.141 5.634 1.00 0.00 O ATOM 175 CB VAL A 15 -1.408 -7.656 4.401 1.00 0.00 C ATOM 176 CG1 VAL A 15 -0.920 -7.119 3.054 1.00 0.00 C ATOM 177 CG2 VAL A 15 -2.707 -8.448 4.238 1.00 0.00 C ATOM 0 H VAL A 15 -0.871 -7.718 6.943 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.374 -9.491 4.616 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.616 -6.802 5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.706 -6.520 2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.035 -6.501 3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.670 -7.953 2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.457 -7.822 3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.521 -9.330 3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.070 -8.758 5.218 1.00 0.00 H new ATOM 187 N THR A 16 1.707 -8.442 3.790 1.00 0.00 N ATOM 188 CA THR A 16 3.056 -8.015 3.456 1.00 0.00 C ATOM 189 C THR A 16 3.021 -6.933 2.376 1.00 0.00 C ATOM 190 O THR A 16 2.812 -7.230 1.201 1.00 0.00 O ATOM 191 CB THR A 16 3.856 -9.254 3.049 1.00 0.00 C ATOM 192 OG1 THR A 16 3.755 -10.119 4.177 1.00 0.00 O ATOM 193 CG2 THR A 16 5.355 -8.970 2.930 1.00 0.00 C ATOM 0 H THR A 16 1.303 -9.123 3.147 1.00 0.00 H new ATOM 0 HA THR A 16 3.550 -7.558 4.313 1.00 0.00 H new ATOM 0 HB THR A 16 3.481 -9.631 2.097 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.245 -10.949 3.998 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.876 -9.882 2.639 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.521 -8.201 2.176 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.737 -8.625 3.891 1.00 0.00 H new ATOM 201 N LEU A 17 3.228 -5.699 2.813 1.00 0.00 N ATOM 202 CA LEU A 17 3.222 -4.570 1.898 1.00 0.00 C ATOM 203 C LEU A 17 4.630 -4.370 1.334 1.00 0.00 C ATOM 204 O LEU A 17 5.491 -3.791 1.995 1.00 0.00 O ATOM 205 CB LEU A 17 2.652 -3.327 2.584 1.00 0.00 C ATOM 206 CG LEU A 17 1.168 -3.386 2.951 1.00 0.00 C ATOM 207 CD1 LEU A 17 0.732 -2.112 3.678 1.00 0.00 C ATOM 208 CD2 LEU A 17 0.307 -3.664 1.717 1.00 0.00 C ATOM 0 H LEU A 17 3.401 -5.456 3.789 1.00 0.00 H new ATOM 0 HA LEU A 17 2.564 -4.768 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.224 -3.144 3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.810 -2.470 1.929 1.00 0.00 H new ATOM 0 HG LEU A 17 1.020 -4.218 3.640 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.327 -2.180 3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.314 -1.998 4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.898 -1.250 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.743 -3.701 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.454 -2.870 0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.596 -4.619 1.279 1.00 0.00 H new ATOM 220 N ASN A 18 4.821 -4.859 0.117 1.00 0.00 N ATOM 221 CA ASN A 18 6.110 -4.741 -0.543 1.00 0.00 C ATOM 222 C ASN A 18 6.178 -3.404 -1.283 1.00 0.00 C ATOM 223 O ASN A 18 5.603 -3.257 -2.361 1.00 0.00 O ATOM 224 CB ASN A 18 6.308 -5.859 -1.568 1.00 0.00 C ATOM 225 CG ASN A 18 6.087 -7.233 -0.931 1.00 0.00 C ATOM 226 OD1 ASN A 18 6.904 -7.734 -0.176 1.00 0.00 O ATOM 227 ND2 ASN A 18 4.940 -7.811 -1.276 1.00 0.00 N ATOM 0 H ASN A 18 4.105 -5.338 -0.429 1.00 0.00 H new ATOM 0 HA ASN A 18 6.887 -4.808 0.219 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.615 -5.723 -2.398 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.315 -5.804 -1.982 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.699 -8.730 -0.903 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.301 -7.336 -1.913 1.00 0.00 H new ATOM 234 N VAL A 19 6.885 -2.462 -0.675 1.00 0.00 N ATOM 235 CA VAL A 19 7.035 -1.142 -1.263 1.00 0.00 C ATOM 236 C VAL A 19 8.340 -1.089 -2.060 1.00 0.00 C ATOM 237 O VAL A 19 9.416 -1.328 -1.512 1.00 0.00 O ATOM 238 CB VAL A 19 6.956 -0.072 -0.173 1.00 0.00 C ATOM 239 CG1 VAL A 19 7.160 1.326 -0.761 1.00 0.00 C ATOM 240 CG2 VAL A 19 5.630 -0.159 0.586 1.00 0.00 C ATOM 0 H VAL A 19 7.360 -2.587 0.219 1.00 0.00 H new ATOM 0 HA VAL A 19 6.221 -0.939 -1.959 1.00 0.00 H new ATOM 0 HB VAL A 19 7.762 -0.258 0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.099 2.068 0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.140 1.382 -1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.386 1.525 -1.503 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.600 0.613 1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.803 -0.012 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.542 -1.140 1.053 1.00 0.00 H new ATOM 250 N THR A 20 8.203 -0.775 -3.339 1.00 0.00 N ATOM 251 CA THR A 20 9.359 -0.687 -4.216 1.00 0.00 C ATOM 252 C THR A 20 9.547 0.749 -4.709 1.00 0.00 C ATOM 253 O THR A 20 8.897 1.171 -5.664 1.00 0.00 O ATOM 254 CB THR A 20 9.170 -1.698 -5.349 1.00 0.00 C ATOM 255 OG1 THR A 20 9.574 -2.939 -4.778 1.00 0.00 O ATOM 256 CG2 THR A 20 10.155 -1.479 -6.500 1.00 0.00 C ATOM 0 H THR A 20 7.309 -0.578 -3.790 1.00 0.00 H new ATOM 0 HA THR A 20 10.278 -0.938 -3.686 1.00 0.00 H new ATOM 0 HB THR A 20 8.150 -1.633 -5.727 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.482 -3.651 -5.445 1.00 0.00 H new ATOM 0 HG21 THR A 20 9.978 -2.223 -7.277 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.014 -0.481 -6.914 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.175 -1.577 -6.129 1.00 0.00 H new ATOM 264 N PHE A 21 10.438 1.460 -4.034 1.00 0.00 N ATOM 265 CA PHE A 21 10.720 2.840 -4.392 1.00 0.00 C ATOM 266 C PHE A 21 11.937 2.930 -5.314 1.00 0.00 C ATOM 267 O PHE A 21 13.076 2.865 -4.853 1.00 0.00 O ATOM 268 CB PHE A 21 11.024 3.585 -3.091 1.00 0.00 C ATOM 269 CG PHE A 21 11.413 5.052 -3.290 1.00 0.00 C ATOM 270 CD1 PHE A 21 10.801 5.792 -4.253 1.00 0.00 C ATOM 271 CD2 PHE A 21 12.369 5.615 -2.504 1.00 0.00 C ATOM 272 CE1 PHE A 21 11.162 7.153 -4.438 1.00 0.00 C ATOM 273 CE2 PHE A 21 12.730 6.976 -2.689 1.00 0.00 C ATOM 274 CZ PHE A 21 12.118 7.717 -3.652 1.00 0.00 C ATOM 0 H PHE A 21 10.974 1.107 -3.241 1.00 0.00 H new ATOM 0 HA PHE A 21 9.868 3.270 -4.918 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.149 3.537 -2.444 1.00 0.00 H new ATOM 0 HB3 PHE A 21 11.834 3.072 -2.571 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.041 5.345 -4.877 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.854 5.027 -1.739 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.677 7.741 -5.203 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.490 7.423 -2.065 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.391 8.752 -3.792 1.00 0.00 H new ATOM 284 N LYS A 22 11.656 3.078 -6.600 1.00 0.00 N ATOM 285 CA LYS A 22 12.713 3.178 -7.591 1.00 0.00 C ATOM 286 C LYS A 22 13.440 1.835 -7.692 1.00 0.00 C ATOM 287 O LYS A 22 13.033 0.961 -8.455 1.00 0.00 O ATOM 288 CB LYS A 22 13.637 4.355 -7.273 1.00 0.00 C ATOM 289 CG LYS A 22 12.883 5.684 -7.360 1.00 0.00 C ATOM 290 CD LYS A 22 13.799 6.858 -7.013 1.00 0.00 C ATOM 291 CE LYS A 22 14.378 6.704 -5.605 1.00 0.00 C ATOM 292 NZ LYS A 22 14.983 7.977 -5.151 1.00 0.00 N ATOM 0 H LYS A 22 10.710 3.131 -6.979 1.00 0.00 H new ATOM 0 HA LYS A 22 12.294 3.389 -8.575 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.054 4.234 -6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.475 4.362 -7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.484 5.815 -8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.032 5.669 -6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.610 6.918 -7.739 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.241 7.792 -7.080 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.592 6.401 -4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.130 5.915 -5.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.892 7.782 -4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.141 8.598 -5.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.342 8.446 -4.479 1.00 0.00 H new ATOM 306 N ASN A 23 14.504 1.715 -6.911 1.00 0.00 N ATOM 307 CA ASN A 23 15.291 0.494 -6.903 1.00 0.00 C ATOM 308 C ASN A 23 15.333 -0.072 -5.481 1.00 0.00 C ATOM 309 O ASN A 23 15.943 -1.112 -5.241 1.00 0.00 O ATOM 310 CB ASN A 23 16.730 0.763 -7.346 1.00 0.00 C ATOM 311 CG ASN A 23 17.612 -0.467 -7.125 1.00 0.00 C ATOM 312 OD1 ASN A 23 18.251 -0.629 -6.098 1.00 0.00 O ATOM 313 ND2 ASN A 23 17.611 -1.324 -8.143 1.00 0.00 N ATOM 0 H ASN A 23 14.839 2.443 -6.280 1.00 0.00 H new ATOM 0 HA ASN A 23 14.826 -0.210 -7.593 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.744 1.040 -8.400 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.133 1.609 -6.789 1.00 0.00 H new ATOM 0 HD21 ASN A 23 18.168 -2.177 -8.092 1.00 0.00 H new ATOM 0 HD22 ASN A 23 17.053 -1.128 -8.974 1.00 0.00 H new ATOM 320 N GLU A 24 14.675 0.639 -4.577 1.00 0.00 N ATOM 321 CA GLU A 24 14.630 0.221 -3.186 1.00 0.00 C ATOM 322 C GLU A 24 13.364 -0.595 -2.919 1.00 0.00 C ATOM 323 O GLU A 24 12.263 -0.175 -3.272 1.00 0.00 O ATOM 324 CB GLU A 24 14.712 1.427 -2.248 1.00 0.00 C ATOM 325 CG GLU A 24 16.151 1.936 -2.135 1.00 0.00 C ATOM 326 CD GLU A 24 16.504 2.262 -0.682 1.00 0.00 C ATOM 327 OE1 GLU A 24 16.204 1.409 0.180 1.00 0.00 O ATOM 328 OE2 GLU A 24 17.066 3.358 -0.467 1.00 0.00 O ATOM 0 H GLU A 24 14.169 1.501 -4.780 1.00 0.00 H new ATOM 0 HA GLU A 24 15.496 -0.411 -2.988 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.068 2.225 -2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.342 1.151 -1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.838 1.183 -2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.275 2.826 -2.752 1.00 0.00 H new ATOM 335 N ILE A 25 13.562 -1.748 -2.296 1.00 0.00 N ATOM 336 CA ILE A 25 12.450 -2.627 -1.978 1.00 0.00 C ATOM 337 C ILE A 25 12.313 -2.739 -0.458 1.00 0.00 C ATOM 338 O ILE A 25 13.302 -2.948 0.244 1.00 0.00 O ATOM 339 CB ILE A 25 12.614 -3.976 -2.681 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.598 -3.807 -4.202 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.559 -4.976 -2.204 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.385 -4.926 -4.887 1.00 0.00 C ATOM 0 H ILE A 25 14.476 -2.093 -2.003 1.00 0.00 H new ATOM 0 HA ILE A 25 11.516 -2.210 -2.354 1.00 0.00 H new ATOM 0 HB ILE A 25 13.588 -4.384 -2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.569 -3.809 -4.561 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.026 -2.841 -4.469 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.699 -5.926 -2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.661 -5.128 -1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.564 -4.587 -2.423 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.357 -4.782 -5.967 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.420 -4.906 -4.544 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.939 -5.889 -4.638 1.00 0.00 H new ATOM 354 N GLN A 26 11.081 -2.596 0.006 1.00 0.00 N ATOM 355 CA GLN A 26 10.802 -2.678 1.429 1.00 0.00 C ATOM 356 C GLN A 26 9.548 -3.519 1.677 1.00 0.00 C ATOM 357 O GLN A 26 8.791 -3.799 0.749 1.00 0.00 O ATOM 358 CB GLN A 26 10.657 -1.283 2.041 1.00 0.00 C ATOM 359 CG GLN A 26 11.915 -0.893 2.821 1.00 0.00 C ATOM 360 CD GLN A 26 11.551 -0.213 4.143 1.00 0.00 C ATOM 361 OE1 GLN A 26 11.481 -0.834 5.191 1.00 0.00 O ATOM 362 NE2 GLN A 26 11.325 1.093 4.035 1.00 0.00 N ATOM 0 H GLN A 26 10.264 -2.424 -0.579 1.00 0.00 H new ATOM 0 HA GLN A 26 11.645 -3.167 1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.473 -0.553 1.252 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.792 -1.261 2.704 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.515 -1.781 3.018 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.527 -0.222 2.219 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.401 1.550 3.126 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.076 1.637 4.861 1.00 0.00 H new ATOM 371 N SER A 27 9.366 -3.896 2.934 1.00 0.00 N ATOM 372 CA SER A 27 8.217 -4.699 3.315 1.00 0.00 C ATOM 373 C SER A 27 7.679 -4.233 4.670 1.00 0.00 C ATOM 374 O SER A 27 8.449 -4.009 5.603 1.00 0.00 O ATOM 375 CB SER A 27 8.576 -6.185 3.369 1.00 0.00 C ATOM 376 OG SER A 27 7.810 -6.885 4.346 1.00 0.00 O ATOM 0 H SER A 27 9.995 -3.660 3.702 1.00 0.00 H new ATOM 0 HA SER A 27 7.443 -4.568 2.559 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.411 -6.634 2.389 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.637 -6.294 3.594 1.00 0.00 H new ATOM 0 HG SER A 27 8.068 -7.830 4.348 1.00 0.00 H new ATOM 382 N PHE A 28 6.363 -4.102 4.735 1.00 0.00 N ATOM 383 CA PHE A 28 5.714 -3.667 5.961 1.00 0.00 C ATOM 384 C PHE A 28 4.529 -4.572 6.304 1.00 0.00 C ATOM 385 O PHE A 28 3.535 -4.602 5.580 1.00 0.00 O ATOM 386 CB PHE A 28 5.201 -2.247 5.716 1.00 0.00 C ATOM 387 CG PHE A 28 6.292 -1.254 5.307 1.00 0.00 C ATOM 388 CD1 PHE A 28 7.165 -0.782 6.237 1.00 0.00 C ATOM 389 CD2 PHE A 28 6.388 -0.843 4.014 1.00 0.00 C ATOM 390 CE1 PHE A 28 8.177 0.139 5.859 1.00 0.00 C ATOM 391 CE2 PHE A 28 7.400 0.078 3.636 1.00 0.00 C ATOM 392 CZ PHE A 28 8.273 0.550 4.566 1.00 0.00 C ATOM 0 H PHE A 28 5.728 -4.289 3.959 1.00 0.00 H new ATOM 0 HA PHE A 28 6.420 -3.707 6.790 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.439 -2.276 4.937 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.716 -1.885 6.623 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.088 -1.108 7.264 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.695 -1.217 3.275 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.870 0.513 6.598 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.477 0.404 2.609 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.042 1.251 4.278 1.00 0.00 H new ATOM 402 N LEU A 29 4.672 -5.288 7.410 1.00 0.00 N ATOM 403 CA LEU A 29 3.626 -6.191 7.858 1.00 0.00 C ATOM 404 C LEU A 29 2.499 -5.380 8.500 1.00 0.00 C ATOM 405 O LEU A 29 2.752 -4.498 9.320 1.00 0.00 O ATOM 406 CB LEU A 29 4.206 -7.270 8.775 1.00 0.00 C ATOM 407 CG LEU A 29 3.367 -8.540 8.930 1.00 0.00 C ATOM 408 CD1 LEU A 29 3.512 -9.446 7.706 1.00 0.00 C ATOM 409 CD2 LEU A 29 3.715 -9.271 10.228 1.00 0.00 C ATOM 0 H LEU A 29 5.497 -5.261 8.009 1.00 0.00 H new ATOM 0 HA LEU A 29 3.194 -6.724 7.011 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.188 -7.551 8.396 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.358 -6.836 9.763 1.00 0.00 H new ATOM 0 HG LEU A 29 2.318 -8.251 8.994 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.906 -10.341 7.842 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.177 -8.912 6.817 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.557 -9.731 7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.105 -10.170 10.314 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.769 -9.548 10.218 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.519 -8.617 11.078 1.00 0.00 H new ATOM 421 N VAL A 30 1.278 -5.706 8.103 1.00 0.00 N ATOM 422 CA VAL A 30 0.111 -5.019 8.629 1.00 0.00 C ATOM 423 C VAL A 30 -0.845 -6.043 9.243 1.00 0.00 C ATOM 424 O VAL A 30 -1.622 -6.678 8.531 1.00 0.00 O ATOM 425 CB VAL A 30 -0.541 -4.177 7.530 1.00 0.00 C ATOM 426 CG1 VAL A 30 -1.440 -3.093 8.129 1.00 0.00 C ATOM 427 CG2 VAL A 30 0.517 -3.565 6.609 1.00 0.00 C ATOM 0 H VAL A 30 1.071 -6.437 7.423 1.00 0.00 H new ATOM 0 HA VAL A 30 0.400 -4.328 9.421 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.168 -4.837 6.930 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.891 -2.509 7.326 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.226 -3.559 8.724 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.845 -2.437 8.764 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.028 -2.972 5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.181 -2.926 7.191 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.097 -4.361 6.142 1.00 0.00 H new ATOM 437 N SER A 31 -0.758 -6.172 10.559 1.00 0.00 N ATOM 438 CA SER A 31 -1.605 -7.109 11.277 1.00 0.00 C ATOM 439 C SER A 31 -3.045 -6.593 11.308 1.00 0.00 C ATOM 440 O SER A 31 -3.960 -7.318 11.698 1.00 0.00 O ATOM 441 CB SER A 31 -1.092 -7.337 12.700 1.00 0.00 C ATOM 442 OG SER A 31 -1.949 -8.197 13.445 1.00 0.00 O ATOM 0 H SER A 31 -0.114 -5.643 11.147 1.00 0.00 H new ATOM 0 HA SER A 31 -1.579 -8.065 10.754 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.092 -7.768 12.660 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.006 -6.379 13.212 1.00 0.00 H new ATOM 0 HG SER A 31 -2.842 -8.199 13.041 1.00 0.00 H new ATOM 448 N ASP A 32 -3.202 -5.344 10.894 1.00 0.00 N ATOM 449 CA ASP A 32 -4.515 -4.723 10.870 1.00 0.00 C ATOM 450 C ASP A 32 -4.616 -3.800 9.654 1.00 0.00 C ATOM 451 O ASP A 32 -4.637 -2.579 9.797 1.00 0.00 O ATOM 452 CB ASP A 32 -4.748 -3.879 12.124 1.00 0.00 C ATOM 453 CG ASP A 32 -4.250 -4.507 13.428 1.00 0.00 C ATOM 454 OD1 ASP A 32 -3.027 -4.420 13.668 1.00 0.00 O ATOM 455 OD2 ASP A 32 -5.104 -5.060 14.154 1.00 0.00 O ATOM 0 H ASP A 32 -2.441 -4.745 10.573 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.262 -5.516 10.825 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.256 -2.915 11.992 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.816 -3.682 12.218 1.00 0.00 H new ATOM 460 N PRO A 33 -4.677 -4.436 8.453 1.00 0.00 N ATOM 461 CA PRO A 33 -4.775 -3.686 7.213 1.00 0.00 C ATOM 462 C PRO A 33 -6.185 -3.120 7.024 1.00 0.00 C ATOM 463 O PRO A 33 -6.364 -2.100 6.361 1.00 0.00 O ATOM 464 CB PRO A 33 -4.380 -4.671 6.125 1.00 0.00 C ATOM 465 CG PRO A 33 -4.526 -6.053 6.740 1.00 0.00 C ATOM 466 CD PRO A 33 -4.655 -5.881 8.245 1.00 0.00 C ATOM 0 HA PRO A 33 -4.123 -2.813 7.197 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.021 -4.564 5.250 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.356 -4.497 5.794 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.403 -6.560 6.337 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.662 -6.672 6.499 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.565 -6.349 8.620 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.819 -6.344 8.769 1.00 0.00 H new ATOM 474 N GLU A 34 -7.148 -3.807 7.620 1.00 0.00 N ATOM 475 CA GLU A 34 -8.536 -3.386 7.526 1.00 0.00 C ATOM 476 C GLU A 34 -8.853 -2.358 8.613 1.00 0.00 C ATOM 477 O GLU A 34 -9.669 -1.461 8.405 1.00 0.00 O ATOM 478 CB GLU A 34 -9.480 -4.587 7.613 1.00 0.00 C ATOM 479 CG GLU A 34 -9.741 -5.182 6.228 1.00 0.00 C ATOM 480 CD GLU A 34 -11.221 -5.527 6.049 1.00 0.00 C ATOM 481 OE1 GLU A 34 -11.818 -5.995 7.042 1.00 0.00 O ATOM 482 OE2 GLU A 34 -11.721 -5.315 4.924 1.00 0.00 O ATOM 0 H GLU A 34 -6.995 -4.652 8.170 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.689 -2.916 6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.048 -5.347 8.264 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.424 -4.280 8.064 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.434 -4.472 5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.136 -6.079 6.094 1.00 0.00 H new ATOM 489 N ASN A 35 -8.192 -2.522 9.749 1.00 0.00 N ATOM 490 CA ASN A 35 -8.393 -1.620 10.870 1.00 0.00 C ATOM 491 C ASN A 35 -7.657 -0.306 10.600 1.00 0.00 C ATOM 492 O ASN A 35 -8.255 0.767 10.654 1.00 0.00 O ATOM 493 CB ASN A 35 -7.838 -2.216 12.165 1.00 0.00 C ATOM 494 CG ASN A 35 -8.735 -1.874 13.356 1.00 0.00 C ATOM 495 OD1 ASN A 35 -8.715 -0.775 13.885 1.00 0.00 O ATOM 496 ND2 ASN A 35 -9.521 -2.873 13.746 1.00 0.00 N ATOM 0 H ASN A 35 -7.516 -3.267 9.917 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.465 -1.454 10.981 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.757 -3.298 12.066 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.832 -1.836 12.342 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.157 -2.744 14.533 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.488 -3.768 13.259 1.00 0.00 H new ATOM 503 N THR A 36 -6.369 -0.435 10.316 1.00 0.00 N ATOM 504 CA THR A 36 -5.544 0.729 10.038 1.00 0.00 C ATOM 505 C THR A 36 -6.146 1.548 8.895 1.00 0.00 C ATOM 506 O THR A 36 -7.096 1.111 8.246 1.00 0.00 O ATOM 507 CB THR A 36 -4.122 0.243 9.753 1.00 0.00 C ATOM 508 OG1 THR A 36 -3.308 1.387 9.999 1.00 0.00 O ATOM 509 CG2 THR A 36 -3.893 -0.065 8.272 1.00 0.00 C ATOM 0 H THR A 36 -5.877 -1.327 10.272 1.00 0.00 H new ATOM 0 HA THR A 36 -5.508 1.402 10.895 1.00 0.00 H new ATOM 0 HB THR A 36 -3.919 -0.650 10.345 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.368 1.160 9.840 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.868 -0.406 8.125 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.584 -0.845 7.951 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.064 0.836 7.682 1.00 0.00 H new ATOM 517 N THR A 37 -5.570 2.722 8.683 1.00 0.00 N ATOM 518 CA THR A 37 -6.038 3.606 7.629 1.00 0.00 C ATOM 519 C THR A 37 -4.947 3.803 6.575 1.00 0.00 C ATOM 520 O THR A 37 -3.759 3.735 6.885 1.00 0.00 O ATOM 521 CB THR A 37 -6.498 4.913 8.279 1.00 0.00 C ATOM 522 OG1 THR A 37 -5.316 5.438 8.877 1.00 0.00 O ATOM 523 CG2 THR A 37 -7.442 4.679 9.460 1.00 0.00 C ATOM 0 H THR A 37 -4.783 3.082 9.223 1.00 0.00 H new ATOM 0 HA THR A 37 -6.886 3.174 7.097 1.00 0.00 H new ATOM 0 HB THR A 37 -6.996 5.533 7.534 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.523 6.287 9.320 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.738 5.638 9.885 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.328 4.145 9.117 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.933 4.087 10.221 1.00 0.00 H new ATOM 531 N TRP A 38 -5.390 4.044 5.349 1.00 0.00 N ATOM 532 CA TRP A 38 -4.466 4.252 4.247 1.00 0.00 C ATOM 533 C TRP A 38 -3.559 5.431 4.606 1.00 0.00 C ATOM 534 O TRP A 38 -2.367 5.417 4.302 1.00 0.00 O ATOM 535 CB TRP A 38 -5.219 4.455 2.931 1.00 0.00 C ATOM 536 CG TRP A 38 -4.349 4.988 1.792 1.00 0.00 C ATOM 537 CD1 TRP A 38 -4.487 6.137 1.116 1.00 0.00 C ATOM 538 CD2 TRP A 38 -3.192 4.343 1.219 1.00 0.00 C ATOM 539 NE1 TRP A 38 -3.508 6.279 0.153 1.00 0.00 N ATOM 540 CE2 TRP A 38 -2.696 5.153 0.218 1.00 0.00 C ATOM 541 CE3 TRP A 38 -2.586 3.114 1.535 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.571 4.823 -0.548 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -1.463 2.800 0.761 1.00 0.00 C ATOM 544 CH2 TRP A 38 -0.950 3.604 -0.250 1.00 0.00 C ATOM 0 H TRP A 38 -6.376 4.100 5.095 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.845 3.370 4.093 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.658 3.505 2.625 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.044 5.148 3.099 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.266 6.861 1.301 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.400 7.065 -0.488 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.958 2.464 2.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.202 5.474 -1.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.959 1.866 0.964 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.077 3.290 -0.803 1.00 0.00 H new ATOM 555 N ALA A 39 -4.159 6.423 5.247 1.00 0.00 N ATOM 556 CA ALA A 39 -3.420 7.608 5.650 1.00 0.00 C ATOM 557 C ALA A 39 -2.232 7.191 6.520 1.00 0.00 C ATOM 558 O ALA A 39 -1.155 7.778 6.428 1.00 0.00 O ATOM 559 CB ALA A 39 -4.361 8.575 6.371 1.00 0.00 C ATOM 0 H ALA A 39 -5.148 6.431 5.497 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.023 8.129 4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.807 9.464 6.673 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.171 8.863 5.700 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.776 8.088 7.254 1.00 0.00 H new ATOM 565 N ASP A 40 -2.469 6.182 7.345 1.00 0.00 N ATOM 566 CA ASP A 40 -1.432 5.680 8.231 1.00 0.00 C ATOM 567 C ASP A 40 -0.339 5.007 7.399 1.00 0.00 C ATOM 568 O ASP A 40 0.839 5.069 7.749 1.00 0.00 O ATOM 569 CB ASP A 40 -1.994 4.641 9.203 1.00 0.00 C ATOM 570 CG ASP A 40 -2.118 5.113 10.653 1.00 0.00 C ATOM 571 OD1 ASP A 40 -2.091 6.346 10.853 1.00 0.00 O ATOM 572 OD2 ASP A 40 -2.238 4.229 11.529 1.00 0.00 O ATOM 0 H ASP A 40 -3.364 5.698 7.419 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.033 6.523 8.795 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.979 4.332 8.852 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.355 3.758 9.177 1.00 0.00 H new ATOM 577 N ILE A 41 -0.767 4.379 6.314 1.00 0.00 N ATOM 578 CA ILE A 41 0.161 3.695 5.429 1.00 0.00 C ATOM 579 C ILE A 41 0.969 4.731 4.645 1.00 0.00 C ATOM 580 O ILE A 41 2.196 4.761 4.730 1.00 0.00 O ATOM 581 CB ILE A 41 -0.583 2.695 4.542 1.00 0.00 C ATOM 582 CG1 ILE A 41 -1.505 1.803 5.375 1.00 0.00 C ATOM 583 CG2 ILE A 41 0.397 1.878 3.697 1.00 0.00 C ATOM 584 CD1 ILE A 41 -0.705 0.734 6.123 1.00 0.00 C ATOM 0 H ILE A 41 -1.745 4.329 6.027 1.00 0.00 H new ATOM 0 HA ILE A 41 0.873 3.105 6.006 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.215 3.254 3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.060 2.413 6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.239 1.325 4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.157 1.175 3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.975 2.548 3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.073 1.329 4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.384 0.114 6.707 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.171 0.111 5.406 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.011 1.215 6.789 1.00 0.00 H new ATOM 596 N GLU A 42 0.249 5.556 3.899 1.00 0.00 N ATOM 597 CA GLU A 42 0.883 6.591 3.101 1.00 0.00 C ATOM 598 C GLU A 42 2.074 7.187 3.854 1.00 0.00 C ATOM 599 O GLU A 42 3.217 7.055 3.419 1.00 0.00 O ATOM 600 CB GLU A 42 -0.121 7.678 2.714 1.00 0.00 C ATOM 601 CG GLU A 42 0.365 8.464 1.495 1.00 0.00 C ATOM 602 CD GLU A 42 -0.758 8.636 0.470 1.00 0.00 C ATOM 603 OE1 GLU A 42 -1.696 9.402 0.778 1.00 0.00 O ATOM 604 OE2 GLU A 42 -0.653 7.997 -0.599 1.00 0.00 O ATOM 0 H GLU A 42 -0.768 5.528 3.831 1.00 0.00 H new ATOM 0 HA GLU A 42 1.250 6.138 2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.088 7.224 2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.269 8.357 3.554 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.728 9.442 1.810 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.206 7.945 1.035 1.00 0.00 H new ATOM 611 N ALA A 43 1.765 7.830 4.971 1.00 0.00 N ATOM 612 CA ALA A 43 2.796 8.447 5.788 1.00 0.00 C ATOM 613 C ALA A 43 3.923 7.439 6.027 1.00 0.00 C ATOM 614 O ALA A 43 5.075 7.699 5.683 1.00 0.00 O ATOM 615 CB ALA A 43 2.178 8.950 7.094 1.00 0.00 C ATOM 0 H ALA A 43 0.816 7.937 5.329 1.00 0.00 H new ATOM 0 HA ALA A 43 3.227 9.308 5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.951 9.413 7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.403 9.684 6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.739 8.112 7.635 1.00 0.00 H new ATOM 621 N MET A 44 3.551 6.311 6.613 1.00 0.00 N ATOM 622 CA MET A 44 4.516 5.264 6.901 1.00 0.00 C ATOM 623 C MET A 44 5.553 5.151 5.782 1.00 0.00 C ATOM 624 O MET A 44 6.736 5.410 5.998 1.00 0.00 O ATOM 625 CB MET A 44 3.787 3.928 7.059 1.00 0.00 C ATOM 626 CG MET A 44 4.557 2.991 7.994 1.00 0.00 C ATOM 627 SD MET A 44 3.422 1.894 8.827 1.00 0.00 S ATOM 628 CE MET A 44 3.019 0.788 7.485 1.00 0.00 C ATOM 0 H MET A 44 2.594 6.099 6.896 1.00 0.00 H new ATOM 0 HA MET A 44 5.034 5.517 7.826 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.786 4.100 7.454 1.00 0.00 H new ATOM 0 HB3 MET A 44 3.668 3.457 6.083 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.284 2.412 7.424 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.117 3.573 8.726 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.314 0.033 7.834 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.569 1.354 6.669 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.927 0.300 7.131 1.00 0.00 H new ATOM 638 N VAL A 45 5.072 4.763 4.610 1.00 0.00 N ATOM 639 CA VAL A 45 5.942 4.613 3.456 1.00 0.00 C ATOM 640 C VAL A 45 6.737 5.904 3.251 1.00 0.00 C ATOM 641 O VAL A 45 7.959 5.871 3.121 1.00 0.00 O ATOM 642 CB VAL A 45 5.120 4.215 2.229 1.00 0.00 C ATOM 643 CG1 VAL A 45 5.996 4.168 0.975 1.00 0.00 C ATOM 644 CG2 VAL A 45 4.412 2.877 2.454 1.00 0.00 C ATOM 0 H VAL A 45 4.090 4.548 4.435 1.00 0.00 H new ATOM 0 HA VAL A 45 6.662 3.811 3.622 1.00 0.00 H new ATOM 0 HB VAL A 45 4.356 4.977 2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.388 3.883 0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.433 5.151 0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.792 3.437 1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.835 2.617 1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.153 2.101 2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.743 2.959 3.311 1.00 0.00 H new ATOM 654 N LYS A 46 6.009 7.011 3.227 1.00 0.00 N ATOM 655 CA LYS A 46 6.631 8.311 3.039 1.00 0.00 C ATOM 656 C LYS A 46 7.840 8.433 3.969 1.00 0.00 C ATOM 657 O LYS A 46 8.982 8.427 3.512 1.00 0.00 O ATOM 658 CB LYS A 46 5.602 9.429 3.220 1.00 0.00 C ATOM 659 CG LYS A 46 4.562 9.403 2.097 1.00 0.00 C ATOM 660 CD LYS A 46 3.407 10.361 2.397 1.00 0.00 C ATOM 661 CE LYS A 46 3.929 11.702 2.918 1.00 0.00 C ATOM 662 NZ LYS A 46 3.877 11.739 4.397 1.00 0.00 N ATOM 0 H LYS A 46 4.995 7.035 3.335 1.00 0.00 H new ATOM 0 HA LYS A 46 7.001 8.411 2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.105 9.318 4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.107 10.395 3.231 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.033 9.680 1.154 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.177 8.390 1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.819 10.522 1.493 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.741 9.914 3.135 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.954 11.856 2.580 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.332 12.516 2.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.885 12.728 4.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.007 11.274 4.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.703 11.241 4.786 1.00 0.00 H new ATOM 676 N VAL A 47 7.547 8.541 5.256 1.00 0.00 N ATOM 677 CA VAL A 47 8.596 8.663 6.254 1.00 0.00 C ATOM 678 C VAL A 47 9.645 7.573 6.023 1.00 0.00 C ATOM 679 O VAL A 47 10.844 7.830 6.117 1.00 0.00 O ATOM 680 CB VAL A 47 7.990 8.622 7.659 1.00 0.00 C ATOM 681 CG1 VAL A 47 6.996 9.767 7.861 1.00 0.00 C ATOM 682 CG2 VAL A 47 7.330 7.269 7.931 1.00 0.00 C ATOM 0 H VAL A 47 6.598 8.547 5.631 1.00 0.00 H new ATOM 0 HA VAL A 47 9.101 9.624 6.160 1.00 0.00 H new ATOM 0 HB VAL A 47 8.800 8.751 8.377 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.580 9.715 8.867 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.508 10.720 7.729 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.191 9.683 7.131 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.907 7.266 8.936 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.537 7.098 7.203 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.075 6.478 7.848 1.00 0.00 H new ATOM 692 N SER A 48 9.154 6.379 5.726 1.00 0.00 N ATOM 693 CA SER A 48 10.033 5.248 5.480 1.00 0.00 C ATOM 694 C SER A 48 11.142 5.650 4.505 1.00 0.00 C ATOM 695 O SER A 48 12.291 5.242 4.664 1.00 0.00 O ATOM 696 CB SER A 48 9.253 4.052 4.933 1.00 0.00 C ATOM 697 OG SER A 48 9.312 2.930 5.810 1.00 0.00 O ATOM 0 H SER A 48 8.159 6.170 5.650 1.00 0.00 H new ATOM 0 HA SER A 48 10.481 4.951 6.428 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.212 4.338 4.779 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.654 3.772 3.959 1.00 0.00 H new ATOM 0 HG SER A 48 8.541 2.347 5.648 1.00 0.00 H new ATOM 703 N PHE A 49 10.758 6.445 3.517 1.00 0.00 N ATOM 704 CA PHE A 49 11.705 6.906 2.516 1.00 0.00 C ATOM 705 C PHE A 49 11.819 8.431 2.531 1.00 0.00 C ATOM 706 O PHE A 49 12.275 9.033 1.560 1.00 0.00 O ATOM 707 CB PHE A 49 11.169 6.460 1.154 1.00 0.00 C ATOM 708 CG PHE A 49 11.172 4.943 0.951 1.00 0.00 C ATOM 709 CD1 PHE A 49 12.285 4.324 0.474 1.00 0.00 C ATOM 710 CD2 PHE A 49 10.062 4.215 1.246 1.00 0.00 C ATOM 711 CE1 PHE A 49 12.288 2.916 0.285 1.00 0.00 C ATOM 712 CE2 PHE A 49 10.065 2.808 1.057 1.00 0.00 C ATOM 713 CZ PHE A 49 11.178 2.188 0.580 1.00 0.00 C ATOM 0 H PHE A 49 9.804 6.782 3.388 1.00 0.00 H new ATOM 0 HA PHE A 49 12.693 6.492 2.720 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.150 6.830 1.037 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.768 6.923 0.370 1.00 0.00 H new ATOM 0 HD1 PHE A 49 13.166 4.903 0.239 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.178 4.707 1.624 1.00 0.00 H new ATOM 0 HE1 PHE A 49 13.172 2.424 -0.093 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.184 2.230 1.292 1.00 0.00 H new ATOM 0 HZ PHE A 49 11.180 1.118 0.436 1.00 0.00 H new ATOM 723 N ASP A 50 11.397 9.014 3.644 1.00 0.00 N ATOM 724 CA ASP A 50 11.447 10.457 3.798 1.00 0.00 C ATOM 725 C ASP A 50 11.002 11.121 2.493 1.00 0.00 C ATOM 726 O ASP A 50 11.834 11.553 1.697 1.00 0.00 O ATOM 727 CB ASP A 50 12.868 10.930 4.109 1.00 0.00 C ATOM 728 CG ASP A 50 12.962 12.086 5.106 1.00 0.00 C ATOM 729 OD1 ASP A 50 12.480 13.183 4.751 1.00 0.00 O ATOM 730 OD2 ASP A 50 13.514 11.846 6.202 1.00 0.00 O ATOM 0 H ASP A 50 11.019 8.512 4.448 1.00 0.00 H new ATOM 0 HA ASP A 50 10.788 10.730 4.622 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.438 10.087 4.499 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.345 11.234 3.177 1.00 0.00 H new ATOM 735 N LEU A 51 9.691 11.181 2.314 1.00 0.00 N ATOM 736 CA LEU A 51 9.126 11.785 1.120 1.00 0.00 C ATOM 737 C LEU A 51 7.944 12.674 1.513 1.00 0.00 C ATOM 738 O LEU A 51 7.103 12.276 2.318 1.00 0.00 O ATOM 739 CB LEU A 51 8.770 10.708 0.092 1.00 0.00 C ATOM 740 CG LEU A 51 9.924 9.818 -0.374 1.00 0.00 C ATOM 741 CD1 LEU A 51 9.412 8.664 -1.237 1.00 0.00 C ATOM 742 CD2 LEU A 51 10.995 10.641 -1.093 1.00 0.00 C ATOM 0 H LEU A 51 9.004 10.821 2.976 1.00 0.00 H new ATOM 0 HA LEU A 51 9.861 12.427 0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.994 10.071 0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.338 11.196 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 51 10.393 9.378 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.252 8.047 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.715 8.058 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.903 9.064 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.804 9.985 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.556 11.128 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.389 11.397 -0.414 1.00 0.00 H new ATOM 754 N ASN A 52 7.918 13.862 0.926 1.00 0.00 N ATOM 755 CA ASN A 52 6.853 14.811 1.205 1.00 0.00 C ATOM 756 C ASN A 52 5.570 14.349 0.512 1.00 0.00 C ATOM 757 O ASN A 52 4.554 14.121 1.167 1.00 0.00 O ATOM 758 CB ASN A 52 7.203 16.203 0.674 1.00 0.00 C ATOM 759 CG ASN A 52 8.277 16.866 1.539 1.00 0.00 C ATOM 760 OD1 ASN A 52 8.342 16.683 2.743 1.00 0.00 O ATOM 761 ND2 ASN A 52 9.114 17.644 0.859 1.00 0.00 N ATOM 0 H ASN A 52 8.617 14.189 0.259 1.00 0.00 H new ATOM 0 HA ASN A 52 6.719 14.860 2.286 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.556 16.126 -0.354 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.308 16.826 0.658 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.867 18.131 1.345 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.003 17.754 -0.149 1.00 0.00 H new ATOM 768 N THR A 53 5.657 14.225 -0.804 1.00 0.00 N ATOM 769 CA THR A 53 4.516 13.795 -1.593 1.00 0.00 C ATOM 770 C THR A 53 4.879 12.569 -2.432 1.00 0.00 C ATOM 771 O THR A 53 5.774 12.631 -3.274 1.00 0.00 O ATOM 772 CB THR A 53 4.043 14.986 -2.430 1.00 0.00 C ATOM 773 OG1 THR A 53 5.248 15.552 -2.938 1.00 0.00 O ATOM 774 CG2 THR A 53 3.439 16.100 -1.573 1.00 0.00 C ATOM 0 H THR A 53 6.501 14.415 -1.344 1.00 0.00 H new ATOM 0 HA THR A 53 3.691 13.480 -0.955 1.00 0.00 H new ATOM 0 HB THR A 53 3.306 14.649 -3.158 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.850 14.835 -3.226 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.120 16.921 -2.215 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.580 15.712 -1.025 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.186 16.462 -0.867 1.00 0.00 H new ATOM 782 N ILE A 54 4.167 11.482 -2.173 1.00 0.00 N ATOM 783 CA ILE A 54 4.403 10.243 -2.895 1.00 0.00 C ATOM 784 C ILE A 54 3.096 9.774 -3.537 1.00 0.00 C ATOM 785 O ILE A 54 2.020 10.260 -3.190 1.00 0.00 O ATOM 786 CB ILE A 54 5.044 9.201 -1.975 1.00 0.00 C ATOM 787 CG1 ILE A 54 3.998 8.558 -1.062 1.00 0.00 C ATOM 788 CG2 ILE A 54 6.201 9.810 -1.180 1.00 0.00 C ATOM 789 CD1 ILE A 54 4.629 7.479 -0.180 1.00 0.00 C ATOM 0 H ILE A 54 3.426 11.433 -1.473 1.00 0.00 H new ATOM 0 HA ILE A 54 5.116 10.404 -3.704 1.00 0.00 H new ATOM 0 HB ILE A 54 5.461 8.408 -2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.538 9.322 -0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.203 8.120 -1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.639 9.049 -0.534 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.960 10.182 -1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.830 10.633 -0.570 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.864 7.038 0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.066 6.704 -0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.407 7.925 0.440 1.00 0.00 H new ATOM 801 N GLN A 55 3.232 8.837 -4.464 1.00 0.00 N ATOM 802 CA GLN A 55 2.075 8.298 -5.158 1.00 0.00 C ATOM 803 C GLN A 55 2.176 6.774 -5.254 1.00 0.00 C ATOM 804 O GLN A 55 2.336 6.226 -6.343 1.00 0.00 O ATOM 805 CB GLN A 55 1.926 8.925 -6.545 1.00 0.00 C ATOM 806 CG GLN A 55 0.465 8.915 -6.998 1.00 0.00 C ATOM 807 CD GLN A 55 -0.353 9.957 -6.233 1.00 0.00 C ATOM 808 OE1 GLN A 55 -0.090 11.147 -6.279 1.00 0.00 O ATOM 809 NE2 GLN A 55 -1.359 9.445 -5.529 1.00 0.00 N ATOM 0 H GLN A 55 4.126 8.437 -4.750 1.00 0.00 H new ATOM 0 HA GLN A 55 1.183 8.549 -4.584 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.298 9.950 -6.526 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.537 8.377 -7.263 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.411 9.118 -8.067 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.038 7.925 -6.840 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.525 8.439 -5.534 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.965 10.059 -4.985 1.00 0.00 H new ATOM 818 N ILE A 56 2.078 6.133 -4.098 1.00 0.00 N ATOM 819 CA ILE A 56 2.157 4.683 -4.038 1.00 0.00 C ATOM 820 C ILE A 56 1.290 4.083 -5.147 1.00 0.00 C ATOM 821 O ILE A 56 0.296 4.682 -5.556 1.00 0.00 O ATOM 822 CB ILE A 56 1.795 4.185 -2.637 1.00 0.00 C ATOM 823 CG1 ILE A 56 2.769 4.732 -1.592 1.00 0.00 C ATOM 824 CG2 ILE A 56 1.715 2.657 -2.603 1.00 0.00 C ATOM 825 CD1 ILE A 56 2.031 5.146 -0.318 1.00 0.00 C ATOM 0 H ILE A 56 1.945 6.591 -3.196 1.00 0.00 H new ATOM 0 HA ILE A 56 3.179 4.349 -4.216 1.00 0.00 H new ATOM 0 HB ILE A 56 0.805 4.565 -2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.516 3.974 -1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.304 5.589 -2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.456 2.329 -1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.952 2.317 -3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.680 2.236 -2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.747 5.531 0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.302 5.921 -0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.517 4.281 0.102 1.00 0.00 H new ATOM 837 N LYS A 57 1.698 2.908 -5.603 1.00 0.00 N ATOM 838 CA LYS A 57 0.971 2.221 -6.657 1.00 0.00 C ATOM 839 C LYS A 57 1.205 0.714 -6.532 1.00 0.00 C ATOM 840 O LYS A 57 2.342 0.250 -6.603 1.00 0.00 O ATOM 841 CB LYS A 57 1.347 2.790 -8.026 1.00 0.00 C ATOM 842 CG LYS A 57 0.633 4.119 -8.282 1.00 0.00 C ATOM 843 CD LYS A 57 0.266 4.268 -9.759 1.00 0.00 C ATOM 844 CE LYS A 57 0.249 5.741 -10.174 1.00 0.00 C ATOM 845 NZ LYS A 57 -1.091 6.124 -10.673 1.00 0.00 N ATOM 0 H LYS A 57 2.523 2.414 -5.262 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.101 2.388 -6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.426 2.936 -8.079 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.084 2.075 -8.806 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.269 4.175 -7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.275 4.946 -7.978 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.983 3.722 -10.372 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.713 3.824 -9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.520 6.367 -9.324 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.996 5.915 -10.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.994 6.621 -11.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.669 5.270 -10.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.553 6.750 -9.983 1.00 0.00 H new ATOM 859 N TYR A 58 0.110 -0.009 -6.348 1.00 0.00 N ATOM 860 CA TYR A 58 0.181 -1.454 -6.213 1.00 0.00 C ATOM 861 C TYR A 58 -0.379 -2.149 -7.456 1.00 0.00 C ATOM 862 O TYR A 58 -1.331 -1.666 -8.066 1.00 0.00 O ATOM 863 CB TYR A 58 -0.692 -1.809 -5.008 1.00 0.00 C ATOM 864 CG TYR A 58 -2.188 -1.878 -5.322 1.00 0.00 C ATOM 865 CD1 TYR A 58 -2.703 -2.973 -5.986 1.00 0.00 C ATOM 866 CD2 TYR A 58 -3.022 -0.846 -4.942 1.00 0.00 C ATOM 867 CE1 TYR A 58 -4.111 -3.039 -6.281 1.00 0.00 C ATOM 868 CE2 TYR A 58 -4.430 -0.912 -5.238 1.00 0.00 C ATOM 869 CZ TYR A 58 -4.905 -2.005 -5.893 1.00 0.00 C ATOM 870 OH TYR A 58 -6.234 -2.067 -6.172 1.00 0.00 O ATOM 0 H TYR A 58 -0.831 0.379 -6.289 1.00 0.00 H new ATOM 0 HA TYR A 58 1.215 -1.777 -6.090 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.370 -2.771 -4.610 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.529 -1.069 -4.224 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.050 -3.780 -6.284 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.619 0.011 -4.423 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.527 -3.891 -6.799 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.094 -0.111 -4.946 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.364 -2.458 -7.061 1.00 0.00 H new ATOM 880 N LEU A 59 0.235 -3.273 -7.794 1.00 0.00 N ATOM 881 CA LEU A 59 -0.190 -4.040 -8.952 1.00 0.00 C ATOM 882 C LEU A 59 -1.447 -4.838 -8.597 1.00 0.00 C ATOM 883 O LEU A 59 -1.451 -5.597 -7.630 1.00 0.00 O ATOM 884 CB LEU A 59 0.960 -4.904 -9.475 1.00 0.00 C ATOM 885 CG LEU A 59 2.148 -4.149 -10.073 1.00 0.00 C ATOM 886 CD1 LEU A 59 2.964 -5.054 -10.998 1.00 0.00 C ATOM 887 CD2 LEU A 59 1.687 -2.873 -10.781 1.00 0.00 C ATOM 0 H LEU A 59 1.024 -3.671 -7.285 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.456 -3.374 -9.773 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.324 -5.524 -8.656 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.565 -5.579 -10.234 1.00 0.00 H new ATOM 0 HG LEU A 59 2.805 -3.846 -9.258 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.802 -4.492 -11.410 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.341 -5.907 -10.433 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.331 -5.409 -11.811 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.551 -2.355 -11.197 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.997 -3.132 -11.585 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.184 -2.222 -10.066 1.00 0.00 H new ATOM 899 N ASP A 60 -2.482 -4.638 -9.400 1.00 0.00 N ATOM 900 CA ASP A 60 -3.741 -5.329 -9.183 1.00 0.00 C ATOM 901 C ASP A 60 -3.617 -6.772 -9.674 1.00 0.00 C ATOM 902 O ASP A 60 -2.517 -7.320 -9.730 1.00 0.00 O ATOM 903 CB ASP A 60 -4.877 -4.661 -9.960 1.00 0.00 C ATOM 904 CG ASP A 60 -6.178 -4.478 -9.176 1.00 0.00 C ATOM 905 OD1 ASP A 60 -6.612 -5.474 -8.557 1.00 0.00 O ATOM 906 OD2 ASP A 60 -6.709 -3.347 -9.212 1.00 0.00 O ATOM 0 H ASP A 60 -2.474 -4.007 -10.202 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.965 -5.295 -8.117 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.537 -3.684 -10.303 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.087 -5.255 -10.849 1.00 0.00 H new ATOM 911 N GLU A 61 -4.761 -7.347 -10.016 1.00 0.00 N ATOM 912 CA GLU A 61 -4.794 -8.717 -10.501 1.00 0.00 C ATOM 913 C GLU A 61 -4.505 -8.756 -12.003 1.00 0.00 C ATOM 914 O GLU A 61 -4.701 -9.784 -12.649 1.00 0.00 O ATOM 915 CB GLU A 61 -6.136 -9.378 -10.183 1.00 0.00 C ATOM 916 CG GLU A 61 -6.253 -9.694 -8.690 1.00 0.00 C ATOM 917 CD GLU A 61 -6.856 -11.082 -8.468 1.00 0.00 C ATOM 918 OE1 GLU A 61 -7.987 -11.294 -8.956 1.00 0.00 O ATOM 919 OE2 GLU A 61 -6.173 -11.900 -7.816 1.00 0.00 O ATOM 0 H GLU A 61 -5.671 -6.890 -9.967 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.017 -9.283 -9.987 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.950 -8.719 -10.483 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.239 -10.296 -10.762 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.268 -9.643 -8.226 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.874 -8.942 -8.203 1.00 0.00 H new ATOM 926 N GLU A 62 -4.045 -7.624 -12.514 1.00 0.00 N ATOM 927 CA GLU A 62 -3.727 -7.516 -13.928 1.00 0.00 C ATOM 928 C GLU A 62 -2.304 -6.985 -14.113 1.00 0.00 C ATOM 929 O GLU A 62 -1.874 -6.731 -15.237 1.00 0.00 O ATOM 930 CB GLU A 62 -4.742 -6.628 -14.651 1.00 0.00 C ATOM 931 CG GLU A 62 -6.174 -7.060 -14.331 1.00 0.00 C ATOM 932 CD GLU A 62 -6.862 -7.641 -15.569 1.00 0.00 C ATOM 933 OE1 GLU A 62 -6.544 -8.803 -15.902 1.00 0.00 O ATOM 934 OE2 GLU A 62 -7.689 -6.909 -16.154 1.00 0.00 O ATOM 0 H GLU A 62 -3.885 -6.773 -11.975 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.783 -8.511 -14.371 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.597 -5.589 -14.355 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.575 -6.680 -15.727 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.164 -7.803 -13.534 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.742 -6.205 -13.963 1.00 0.00 H new ATOM 941 N ASN A 63 -1.613 -6.832 -12.993 1.00 0.00 N ATOM 942 CA ASN A 63 -0.248 -6.336 -13.018 1.00 0.00 C ATOM 943 C ASN A 63 -0.257 -4.847 -13.370 1.00 0.00 C ATOM 944 O ASN A 63 0.746 -4.310 -13.837 1.00 0.00 O ATOM 945 CB ASN A 63 0.585 -7.066 -14.074 1.00 0.00 C ATOM 946 CG ASN A 63 1.817 -7.720 -13.445 1.00 0.00 C ATOM 947 OD1 ASN A 63 2.891 -7.145 -13.380 1.00 0.00 O ATOM 948 ND2 ASN A 63 1.603 -8.950 -12.987 1.00 0.00 N ATOM 0 H ASN A 63 -1.973 -7.043 -12.062 1.00 0.00 H new ATOM 0 HA ASN A 63 0.189 -6.505 -12.034 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.025 -7.826 -14.562 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.897 -6.363 -14.846 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.363 -9.471 -12.549 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.679 -9.373 -13.073 1.00 0.00 H new ATOM 955 N GLU A 64 -1.401 -4.223 -13.134 1.00 0.00 N ATOM 956 CA GLU A 64 -1.554 -2.806 -13.420 1.00 0.00 C ATOM 957 C GLU A 64 -1.413 -1.987 -12.136 1.00 0.00 C ATOM 958 O GLU A 64 -2.076 -2.270 -11.139 1.00 0.00 O ATOM 959 CB GLU A 64 -2.894 -2.527 -14.104 1.00 0.00 C ATOM 960 CG GLU A 64 -2.816 -2.823 -15.603 1.00 0.00 C ATOM 961 CD GLU A 64 -4.128 -2.462 -16.302 1.00 0.00 C ATOM 962 OE1 GLU A 64 -5.023 -3.334 -16.315 1.00 0.00 O ATOM 963 OE2 GLU A 64 -4.207 -1.321 -16.808 1.00 0.00 O ATOM 0 H GLU A 64 -2.231 -4.672 -12.748 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.763 -2.506 -14.107 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.673 -3.139 -13.649 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.175 -1.485 -13.949 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.996 -2.258 -16.047 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.596 -3.879 -15.758 1.00 0.00 H new ATOM 970 N GLU A 65 -0.546 -0.988 -12.202 1.00 0.00 N ATOM 971 CA GLU A 65 -0.309 -0.125 -11.057 1.00 0.00 C ATOM 972 C GLU A 65 -1.612 0.549 -10.622 1.00 0.00 C ATOM 973 O GLU A 65 -2.295 1.171 -11.435 1.00 0.00 O ATOM 974 CB GLU A 65 0.769 0.915 -11.367 1.00 0.00 C ATOM 975 CG GLU A 65 2.169 0.334 -11.153 1.00 0.00 C ATOM 976 CD GLU A 65 3.230 1.435 -11.186 1.00 0.00 C ATOM 977 OE1 GLU A 65 2.918 2.540 -10.692 1.00 0.00 O ATOM 978 OE2 GLU A 65 4.331 1.148 -11.705 1.00 0.00 O ATOM 0 H GLU A 65 0.001 -0.756 -13.031 1.00 0.00 H new ATOM 0 HA GLU A 65 0.053 -0.740 -10.233 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.666 1.255 -12.398 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.632 1.788 -10.728 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.209 -0.186 -10.196 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.382 -0.405 -11.926 1.00 0.00 H new ATOM 985 N VAL A 66 -1.917 0.404 -9.341 1.00 0.00 N ATOM 986 CA VAL A 66 -3.126 0.991 -8.788 1.00 0.00 C ATOM 987 C VAL A 66 -2.750 1.957 -7.663 1.00 0.00 C ATOM 988 O VAL A 66 -2.218 1.541 -6.635 1.00 0.00 O ATOM 989 CB VAL A 66 -4.084 -0.113 -8.335 1.00 0.00 C ATOM 990 CG1 VAL A 66 -5.350 0.481 -7.713 1.00 0.00 C ATOM 991 CG2 VAL A 66 -4.429 -1.050 -9.494 1.00 0.00 C ATOM 0 H VAL A 66 -1.348 -0.112 -8.670 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.653 1.568 -9.548 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.579 -0.701 -7.569 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.014 -0.325 -7.400 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.081 1.087 -6.848 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.858 1.105 -8.448 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.111 -1.825 -9.145 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.905 -0.481 -10.293 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.517 -1.513 -9.872 1.00 0.00 H new ATOM 1001 N SER A 67 -3.042 3.228 -7.895 1.00 0.00 N ATOM 1002 CA SER A 67 -2.741 4.256 -6.913 1.00 0.00 C ATOM 1003 C SER A 67 -3.862 4.331 -5.875 1.00 0.00 C ATOM 1004 O SER A 67 -5.040 4.348 -6.227 1.00 0.00 O ATOM 1005 CB SER A 67 -2.547 5.618 -7.584 1.00 0.00 C ATOM 1006 OG SER A 67 -1.242 6.143 -7.357 1.00 0.00 O ATOM 0 H SER A 67 -3.484 3.570 -8.749 1.00 0.00 H new ATOM 0 HA SER A 67 -1.809 3.991 -6.414 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.718 5.522 -8.656 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.291 6.319 -7.204 1.00 0.00 H new ATOM 0 HG SER A 67 -0.804 5.633 -6.644 1.00 0.00 H new ATOM 1012 N ILE A 68 -3.455 4.376 -4.614 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.410 4.449 -3.522 1.00 0.00 C ATOM 1014 C ILE A 68 -4.478 5.887 -3.005 1.00 0.00 C ATOM 1015 O ILE A 68 -3.447 6.533 -2.819 1.00 0.00 O ATOM 1016 CB ILE A 68 -4.067 3.422 -2.441 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -3.838 2.038 -3.052 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -5.139 3.396 -1.349 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -3.205 1.087 -2.034 1.00 0.00 C ATOM 0 H ILE A 68 -2.477 4.363 -4.325 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.409 4.188 -3.871 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.133 3.724 -1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.787 1.628 -3.397 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.191 2.125 -3.925 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.871 2.658 -0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.210 4.380 -0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.100 3.132 -1.789 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.053 0.111 -2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.245 1.488 -1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.865 0.984 -1.173 1.00 0.00 H new ATOM 1031 N ASN A 69 -5.701 6.347 -2.787 1.00 0.00 N ATOM 1032 CA ASN A 69 -5.916 7.697 -2.295 1.00 0.00 C ATOM 1033 C ASN A 69 -6.666 7.636 -0.962 1.00 0.00 C ATOM 1034 O ASN A 69 -6.294 8.314 -0.005 1.00 0.00 O ATOM 1035 CB ASN A 69 -6.762 8.512 -3.275 1.00 0.00 C ATOM 1036 CG ASN A 69 -5.887 9.467 -4.091 1.00 0.00 C ATOM 1037 OD1 ASN A 69 -5.878 10.669 -3.886 1.00 0.00 O ATOM 1038 ND2 ASN A 69 -5.155 8.866 -5.024 1.00 0.00 N ATOM 0 H ASN A 69 -6.553 5.809 -2.942 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.942 8.172 -2.177 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.297 7.840 -3.946 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.514 9.080 -2.727 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.538 9.416 -5.621 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.210 7.854 -5.143 1.00 0.00 H new ATOM 1045 N SER A 70 -7.707 6.817 -0.942 1.00 0.00 N ATOM 1046 CA SER A 70 -8.511 6.658 0.258 1.00 0.00 C ATOM 1047 C SER A 70 -8.460 5.205 0.734 1.00 0.00 C ATOM 1048 O SER A 70 -7.938 4.337 0.036 1.00 0.00 O ATOM 1049 CB SER A 70 -9.959 7.085 0.010 1.00 0.00 C ATOM 1050 OG SER A 70 -10.422 8.004 0.996 1.00 0.00 O ATOM 0 H SER A 70 -8.012 6.256 -1.737 1.00 0.00 H new ATOM 0 HA SER A 70 -8.098 7.302 1.034 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.038 7.542 -0.977 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.601 6.204 0.006 1.00 0.00 H new ATOM 0 HG SER A 70 -11.349 8.253 0.801 1.00 0.00 H new ATOM 1056 N GLN A 71 -9.009 4.985 1.920 1.00 0.00 N ATOM 1057 CA GLN A 71 -9.032 3.652 2.497 1.00 0.00 C ATOM 1058 C GLN A 71 -9.692 2.666 1.531 1.00 0.00 C ATOM 1059 O GLN A 71 -9.110 1.635 1.198 1.00 0.00 O ATOM 1060 CB GLN A 71 -9.745 3.653 3.851 1.00 0.00 C ATOM 1061 CG GLN A 71 -9.786 2.246 4.451 1.00 0.00 C ATOM 1062 CD GLN A 71 -8.834 2.130 5.643 1.00 0.00 C ATOM 1063 OE1 GLN A 71 -9.055 2.692 6.703 1.00 0.00 O ATOM 1064 NE2 GLN A 71 -7.767 1.372 5.410 1.00 0.00 N ATOM 0 H GLN A 71 -9.441 5.707 2.496 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.003 3.332 2.665 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.232 4.329 4.535 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.760 4.031 3.731 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.802 2.012 4.768 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.513 1.514 3.690 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.644 0.931 4.499 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.071 1.232 6.143 1.00 0.00 H new ATOM 1073 N GLY A 72 -10.897 3.018 1.108 1.00 0.00 N ATOM 1074 CA GLY A 72 -11.642 2.177 0.187 1.00 0.00 C ATOM 1075 C GLY A 72 -10.719 1.573 -0.873 1.00 0.00 C ATOM 1076 O GLY A 72 -10.755 0.369 -1.121 1.00 0.00 O ATOM 0 H GLY A 72 -11.376 3.874 1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.139 1.379 0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.422 2.764 -0.297 1.00 0.00 H new ATOM 1080 N GLU A 73 -9.913 2.438 -1.472 1.00 0.00 N ATOM 1081 CA GLU A 73 -8.981 2.006 -2.499 1.00 0.00 C ATOM 1082 C GLU A 73 -7.986 0.996 -1.923 1.00 0.00 C ATOM 1083 O GLU A 73 -7.658 0.004 -2.572 1.00 0.00 O ATOM 1084 CB GLU A 73 -8.254 3.201 -3.118 1.00 0.00 C ATOM 1085 CG GLU A 73 -8.792 3.505 -4.518 1.00 0.00 C ATOM 1086 CD GLU A 73 -7.829 4.410 -5.290 1.00 0.00 C ATOM 1087 OE1 GLU A 73 -7.487 5.478 -4.737 1.00 0.00 O ATOM 1088 OE2 GLU A 73 -7.458 4.014 -6.416 1.00 0.00 O ATOM 0 H GLU A 73 -9.887 3.436 -1.265 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.546 1.517 -3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.376 4.076 -2.480 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.185 2.993 -3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.939 2.574 -5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.767 3.987 -4.440 1.00 0.00 H new ATOM 1095 N TYR A 74 -7.534 1.285 -0.712 1.00 0.00 N ATOM 1096 CA TYR A 74 -6.583 0.415 -0.042 1.00 0.00 C ATOM 1097 C TYR A 74 -7.237 -0.910 0.356 1.00 0.00 C ATOM 1098 O TYR A 74 -6.675 -1.979 0.123 1.00 0.00 O ATOM 1099 CB TYR A 74 -6.152 1.158 1.225 1.00 0.00 C ATOM 1100 CG TYR A 74 -5.089 0.424 2.045 1.00 0.00 C ATOM 1101 CD1 TYR A 74 -4.160 -0.377 1.413 1.00 0.00 C ATOM 1102 CD2 TYR A 74 -5.059 0.563 3.418 1.00 0.00 C ATOM 1103 CE1 TYR A 74 -3.160 -1.068 2.185 1.00 0.00 C ATOM 1104 CE2 TYR A 74 -4.059 -0.127 4.191 1.00 0.00 C ATOM 1105 CZ TYR A 74 -3.159 -0.909 3.536 1.00 0.00 C ATOM 1106 OH TYR A 74 -2.215 -1.561 4.265 1.00 0.00 O ATOM 0 H TYR A 74 -7.809 2.109 -0.177 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.744 0.186 -0.699 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.768 2.139 0.946 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.028 1.326 1.852 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.183 -0.486 0.339 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.786 1.190 3.913 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.428 -1.698 1.702 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.024 -0.026 5.266 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.335 -1.354 5.215 1.00 0.00 H new ATOM 1116 N GLU A 75 -8.416 -0.796 0.950 1.00 0.00 N ATOM 1117 CA GLU A 75 -9.153 -1.971 1.383 1.00 0.00 C ATOM 1118 C GLU A 75 -9.106 -3.054 0.303 1.00 0.00 C ATOM 1119 O GLU A 75 -8.539 -4.124 0.517 1.00 0.00 O ATOM 1120 CB GLU A 75 -10.597 -1.612 1.738 1.00 0.00 C ATOM 1121 CG GLU A 75 -10.661 -0.821 3.045 1.00 0.00 C ATOM 1122 CD GLU A 75 -11.813 -1.308 3.926 1.00 0.00 C ATOM 1123 OE1 GLU A 75 -12.071 -2.531 3.898 1.00 0.00 O ATOM 1124 OE2 GLU A 75 -12.411 -0.447 4.607 1.00 0.00 O ATOM 0 H GLU A 75 -8.879 0.092 1.142 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.679 -2.362 2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.038 -1.025 0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.189 -2.522 1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.719 -0.924 3.583 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.789 0.239 2.826 1.00 0.00 H new ATOM 1131 N GLU A 76 -9.709 -2.738 -0.833 1.00 0.00 N ATOM 1132 CA GLU A 76 -9.744 -3.671 -1.947 1.00 0.00 C ATOM 1133 C GLU A 76 -8.345 -4.232 -2.212 1.00 0.00 C ATOM 1134 O GLU A 76 -8.149 -5.446 -2.214 1.00 0.00 O ATOM 1135 CB GLU A 76 -10.315 -3.007 -3.201 1.00 0.00 C ATOM 1136 CG GLU A 76 -11.831 -2.832 -3.086 1.00 0.00 C ATOM 1137 CD GLU A 76 -12.528 -3.220 -4.392 1.00 0.00 C ATOM 1138 OE1 GLU A 76 -12.689 -2.315 -5.239 1.00 0.00 O ATOM 1139 OE2 GLU A 76 -12.884 -4.412 -4.513 1.00 0.00 O ATOM 0 H GLU A 76 -10.178 -1.849 -1.007 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.403 -4.498 -1.683 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.843 -2.036 -3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.080 -3.612 -4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.211 -3.447 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.064 -1.796 -2.839 1.00 0.00 H new ATOM 1146 N ALA A 77 -7.408 -3.321 -2.430 1.00 0.00 N ATOM 1147 CA ALA A 77 -6.034 -3.709 -2.696 1.00 0.00 C ATOM 1148 C ALA A 77 -5.578 -4.715 -1.637 1.00 0.00 C ATOM 1149 O ALA A 77 -4.897 -5.689 -1.954 1.00 0.00 O ATOM 1150 CB ALA A 77 -5.149 -2.461 -2.734 1.00 0.00 C ATOM 0 H ALA A 77 -7.574 -2.315 -2.428 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.954 -4.195 -3.668 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.118 -2.752 -2.934 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.496 -1.793 -3.522 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.202 -1.948 -1.774 1.00 0.00 H new ATOM 1156 N LEU A 78 -5.973 -4.445 -0.402 1.00 0.00 N ATOM 1157 CA LEU A 78 -5.614 -5.314 0.706 1.00 0.00 C ATOM 1158 C LEU A 78 -6.303 -6.669 0.529 1.00 0.00 C ATOM 1159 O LEU A 78 -5.732 -7.708 0.857 1.00 0.00 O ATOM 1160 CB LEU A 78 -5.925 -4.636 2.041 1.00 0.00 C ATOM 1161 CG LEU A 78 -4.931 -3.566 2.497 1.00 0.00 C ATOM 1162 CD1 LEU A 78 -5.465 -2.804 3.712 1.00 0.00 C ATOM 1163 CD2 LEU A 78 -3.553 -4.174 2.762 1.00 0.00 C ATOM 0 H LEU A 78 -6.538 -3.636 -0.144 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.540 -5.500 0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.913 -4.181 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.980 -5.404 2.812 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.813 -2.843 1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.739 -2.049 4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.406 -2.319 3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.630 -3.500 4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.866 -3.392 3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.633 -4.931 3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.176 -4.633 1.848 1.00 0.00 H new ATOM 1175 N LYS A 79 -7.521 -6.614 0.011 1.00 0.00 N ATOM 1176 CA LYS A 79 -8.294 -7.824 -0.214 1.00 0.00 C ATOM 1177 C LYS A 79 -7.596 -8.682 -1.271 1.00 0.00 C ATOM 1178 O LYS A 79 -7.585 -9.908 -1.173 1.00 0.00 O ATOM 1179 CB LYS A 79 -9.743 -7.478 -0.562 1.00 0.00 C ATOM 1180 CG LYS A 79 -10.504 -6.996 0.674 1.00 0.00 C ATOM 1181 CD LYS A 79 -11.308 -5.731 0.365 1.00 0.00 C ATOM 1182 CE LYS A 79 -12.336 -5.453 1.463 1.00 0.00 C ATOM 1183 NZ LYS A 79 -13.435 -4.609 0.943 1.00 0.00 N ATOM 0 H LYS A 79 -7.992 -5.751 -0.259 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.343 -8.419 0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.761 -6.704 -1.329 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.239 -8.354 -0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.175 -7.782 1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.801 -6.796 1.483 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.633 -4.881 0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.815 -5.843 -0.593 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.739 -6.394 1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.853 -4.954 2.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.124 -4.430 1.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.048 -3.704 0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.906 -5.099 0.156 1.00 0.00 H new ATOM 1197 N MET A 80 -7.029 -8.003 -2.258 1.00 0.00 N ATOM 1198 CA MET A 80 -6.330 -8.687 -3.332 1.00 0.00 C ATOM 1199 C MET A 80 -5.058 -9.363 -2.816 1.00 0.00 C ATOM 1200 O MET A 80 -4.732 -10.476 -3.226 1.00 0.00 O ATOM 1201 CB MET A 80 -5.966 -7.682 -4.427 1.00 0.00 C ATOM 1202 CG MET A 80 -5.730 -8.388 -5.763 1.00 0.00 C ATOM 1203 SD MET A 80 -4.794 -7.331 -6.855 1.00 0.00 S ATOM 1204 CE MET A 80 -3.151 -7.592 -6.206 1.00 0.00 C ATOM 0 H MET A 80 -7.040 -6.986 -2.336 1.00 0.00 H new ATOM 0 HA MET A 80 -6.989 -9.455 -3.736 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.767 -6.950 -4.535 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.070 -7.133 -4.138 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.193 -9.323 -5.600 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.685 -8.644 -6.222 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.733 -6.639 -5.881 1.00 0.00 H new ATOM 0 HE2 MET A 80 -3.199 -8.276 -5.359 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.517 -8.020 -6.982 1.00 0.00 H new ATOM 1214 N ALA A 81 -4.375 -8.662 -1.923 1.00 0.00 N ATOM 1215 CA ALA A 81 -3.146 -9.180 -1.346 1.00 0.00 C ATOM 1216 C ALA A 81 -3.394 -10.593 -0.814 1.00 0.00 C ATOM 1217 O ALA A 81 -2.564 -11.482 -0.994 1.00 0.00 O ATOM 1218 CB ALA A 81 -2.650 -8.225 -0.259 1.00 0.00 C ATOM 0 H ALA A 81 -4.649 -7.740 -1.585 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.364 -9.246 -2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.728 -8.614 0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.461 -7.244 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.407 -8.136 0.520 1.00 0.00 H new ATOM 1224 N VAL A 82 -4.539 -10.755 -0.168 1.00 0.00 N ATOM 1225 CA VAL A 82 -4.907 -12.044 0.392 1.00 0.00 C ATOM 1226 C VAL A 82 -4.834 -13.110 -0.703 1.00 0.00 C ATOM 1227 O VAL A 82 -4.305 -14.198 -0.480 1.00 0.00 O ATOM 1228 CB VAL A 82 -6.286 -11.956 1.049 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -6.747 -13.328 1.542 1.00 0.00 C ATOM 1230 CG2 VAL A 82 -6.285 -10.935 2.189 1.00 0.00 C ATOM 0 H VAL A 82 -5.225 -10.014 -0.020 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.207 -12.333 1.176 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.996 -11.616 0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.730 -13.237 2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.805 -14.017 0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.035 -13.710 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.277 -10.891 2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.557 -11.233 2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.021 -9.953 1.797 1.00 0.00 H new ATOM 1240 N LYS A 83 -5.372 -12.761 -1.862 1.00 0.00 N ATOM 1241 CA LYS A 83 -5.375 -13.674 -2.992 1.00 0.00 C ATOM 1242 C LYS A 83 -3.935 -14.072 -3.324 1.00 0.00 C ATOM 1243 O LYS A 83 -3.629 -15.256 -3.457 1.00 0.00 O ATOM 1244 CB LYS A 83 -6.132 -13.064 -4.173 1.00 0.00 C ATOM 1245 CG LYS A 83 -7.607 -12.850 -3.826 1.00 0.00 C ATOM 1246 CD LYS A 83 -8.486 -12.967 -5.073 1.00 0.00 C ATOM 1247 CE LYS A 83 -9.288 -11.685 -5.301 1.00 0.00 C ATOM 1248 NZ LYS A 83 -9.995 -11.739 -6.601 1.00 0.00 N ATOM 0 H LYS A 83 -5.809 -11.857 -2.043 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.910 -14.590 -2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.678 -12.112 -4.449 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.050 -13.719 -5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.921 -13.586 -3.085 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.739 -11.867 -3.374 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.863 -13.170 -5.944 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.167 -13.811 -4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.008 -11.552 -4.494 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.621 -10.823 -5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.723 -10.997 -6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.314 -11.589 -7.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.445 -12.670 -6.713 1.00 0.00 H new ATOM 1262 N GLN A 84 -3.089 -13.059 -3.449 1.00 0.00 N ATOM 1263 CA GLN A 84 -1.689 -13.288 -3.763 1.00 0.00 C ATOM 1264 C GLN A 84 -1.067 -14.247 -2.746 1.00 0.00 C ATOM 1265 O GLN A 84 -0.575 -15.313 -3.113 1.00 0.00 O ATOM 1266 CB GLN A 84 -0.917 -11.969 -3.816 1.00 0.00 C ATOM 1267 CG GLN A 84 -1.703 -10.904 -4.584 1.00 0.00 C ATOM 1268 CD GLN A 84 -0.840 -10.266 -5.675 1.00 0.00 C ATOM 1269 OE1 GLN A 84 -0.291 -10.932 -6.536 1.00 0.00 O ATOM 1270 NE2 GLN A 84 -0.753 -8.941 -5.589 1.00 0.00 N ATOM 0 H GLN A 84 -3.347 -12.078 -3.338 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.628 -13.747 -4.750 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.718 -11.619 -2.803 1.00 0.00 H new ATOM 0 HB3 GLN A 84 0.050 -12.128 -4.294 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.589 -11.354 -5.033 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.050 -10.135 -3.894 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.239 -8.445 -4.842 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.200 -8.421 -6.271 1.00 0.00 H new ATOM 1279 N GLY A 85 -1.109 -13.833 -1.488 1.00 0.00 N ATOM 1280 CA GLY A 85 -0.555 -14.642 -0.415 1.00 0.00 C ATOM 1281 C GLY A 85 -0.291 -13.795 0.831 1.00 0.00 C ATOM 1282 O GLY A 85 0.748 -13.937 1.474 1.00 0.00 O ATOM 0 H GLY A 85 -1.518 -12.948 -1.188 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.245 -15.450 -0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.374 -15.106 -0.747 1.00 0.00 H new ATOM 1286 N ASN A 86 -1.249 -12.932 1.134 1.00 0.00 N ATOM 1287 CA ASN A 86 -1.134 -12.061 2.291 1.00 0.00 C ATOM 1288 C ASN A 86 -0.027 -11.034 2.043 1.00 0.00 C ATOM 1289 O ASN A 86 0.643 -10.599 2.978 1.00 0.00 O ATOM 1290 CB ASN A 86 -0.766 -12.857 3.545 1.00 0.00 C ATOM 1291 CG ASN A 86 -1.545 -14.173 3.607 1.00 0.00 C ATOM 1292 OD1 ASN A 86 -1.054 -15.232 3.255 1.00 0.00 O ATOM 1293 ND2 ASN A 86 -2.785 -14.046 4.073 1.00 0.00 N ATOM 0 H ASN A 86 -2.109 -12.817 0.598 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.097 -11.573 2.442 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.304 -13.063 3.548 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.979 -12.262 4.433 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.386 -14.866 4.153 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.134 -13.129 4.351 1.00 0.00 H new ATOM 1300 N GLN A 87 0.130 -10.675 0.777 1.00 0.00 N ATOM 1301 CA GLN A 87 1.143 -9.707 0.394 1.00 0.00 C ATOM 1302 C GLN A 87 0.655 -8.868 -0.789 1.00 0.00 C ATOM 1303 O GLN A 87 -0.225 -9.293 -1.535 1.00 0.00 O ATOM 1304 CB GLN A 87 2.467 -10.400 0.065 1.00 0.00 C ATOM 1305 CG GLN A 87 2.361 -11.196 -1.237 1.00 0.00 C ATOM 1306 CD GLN A 87 2.996 -10.431 -2.400 1.00 0.00 C ATOM 1307 OE1 GLN A 87 4.149 -10.034 -2.360 1.00 0.00 O ATOM 1308 NE2 GLN A 87 2.182 -10.247 -3.436 1.00 0.00 N ATOM 0 H GLN A 87 -0.428 -11.037 0.004 1.00 0.00 H new ATOM 0 HA GLN A 87 1.319 -9.041 1.239 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.259 -9.656 -0.023 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.745 -11.067 0.881 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.854 -12.161 -1.119 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.313 -11.399 -1.459 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.228 -10.605 -3.405 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.512 -9.748 -4.262 1.00 0.00 H new ATOM 1317 N LEU A 88 1.249 -7.691 -0.924 1.00 0.00 N ATOM 1318 CA LEU A 88 0.886 -6.789 -2.003 1.00 0.00 C ATOM 1319 C LEU A 88 2.143 -6.087 -2.520 1.00 0.00 C ATOM 1320 O LEU A 88 2.988 -5.660 -1.735 1.00 0.00 O ATOM 1321 CB LEU A 88 -0.213 -5.825 -1.549 1.00 0.00 C ATOM 1322 CG LEU A 88 -0.914 -5.038 -2.658 1.00 0.00 C ATOM 1323 CD1 LEU A 88 -1.499 -5.978 -3.713 1.00 0.00 C ATOM 1324 CD2 LEU A 88 -1.973 -4.098 -2.077 1.00 0.00 C ATOM 0 H LEU A 88 1.979 -7.342 -0.304 1.00 0.00 H new ATOM 0 HA LEU A 88 0.464 -7.347 -2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.965 -6.394 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.222 -5.115 -0.846 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.171 -4.417 -3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.991 -5.392 -4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.698 -6.569 -4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.225 -6.643 -3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.456 -3.550 -2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.719 -4.680 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.499 -3.393 -1.394 1.00 0.00 H new ATOM 1336 N GLN A 89 2.228 -5.991 -3.839 1.00 0.00 N ATOM 1337 CA GLN A 89 3.368 -5.349 -4.471 1.00 0.00 C ATOM 1338 C GLN A 89 3.068 -3.871 -4.731 1.00 0.00 C ATOM 1339 O GLN A 89 2.385 -3.534 -5.697 1.00 0.00 O ATOM 1340 CB GLN A 89 3.754 -6.067 -5.765 1.00 0.00 C ATOM 1341 CG GLN A 89 5.160 -6.662 -5.664 1.00 0.00 C ATOM 1342 CD GLN A 89 6.224 -5.618 -6.010 1.00 0.00 C ATOM 1343 OE1 GLN A 89 6.244 -4.517 -5.484 1.00 0.00 O ATOM 1344 NE2 GLN A 89 7.104 -6.023 -6.921 1.00 0.00 N ATOM 0 H GLN A 89 1.526 -6.347 -4.487 1.00 0.00 H new ATOM 0 HA GLN A 89 4.219 -5.413 -3.792 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.035 -6.859 -5.974 1.00 0.00 H new ATOM 0 HB3 GLN A 89 3.710 -5.368 -6.600 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.328 -7.037 -4.654 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.248 -7.513 -6.339 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.030 -6.958 -7.321 1.00 0.00 H new ATOM 0 HE22 GLN A 89 7.853 -5.398 -7.219 1.00 0.00 H new ATOM 1353 N MET A 90 3.594 -3.030 -3.854 1.00 0.00 N ATOM 1354 CA MET A 90 3.391 -1.596 -3.977 1.00 0.00 C ATOM 1355 C MET A 90 4.664 -0.902 -4.467 1.00 0.00 C ATOM 1356 O MET A 90 5.768 -1.274 -4.074 1.00 0.00 O ATOM 1357 CB MET A 90 2.986 -1.019 -2.619 1.00 0.00 C ATOM 1358 CG MET A 90 1.698 -1.669 -2.110 1.00 0.00 C ATOM 1359 SD MET A 90 1.569 -1.465 -0.341 1.00 0.00 S ATOM 1360 CE MET A 90 0.247 -0.268 -0.262 1.00 0.00 C ATOM 0 H MET A 90 4.161 -3.313 -3.055 1.00 0.00 H new ATOM 0 HA MET A 90 2.600 -1.421 -4.707 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.788 -1.179 -1.898 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.845 0.058 -2.705 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.835 -1.218 -2.600 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.691 -2.729 -2.364 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.343 0.320 0.651 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.303 0.393 -1.127 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.713 -0.785 -0.262 1.00 0.00 H new ATOM 1370 N GLN A 91 4.466 0.093 -5.319 1.00 0.00 N ATOM 1371 CA GLN A 91 5.584 0.842 -5.868 1.00 0.00 C ATOM 1372 C GLN A 91 5.411 2.336 -5.585 1.00 0.00 C ATOM 1373 O GLN A 91 4.452 2.952 -6.046 1.00 0.00 O ATOM 1374 CB GLN A 91 5.735 0.582 -7.368 1.00 0.00 C ATOM 1375 CG GLN A 91 6.346 -0.797 -7.627 1.00 0.00 C ATOM 1376 CD GLN A 91 6.229 -1.180 -9.103 1.00 0.00 C ATOM 1377 OE1 GLN A 91 6.495 -0.395 -9.998 1.00 0.00 O ATOM 1378 NE2 GLN A 91 5.817 -2.428 -9.307 1.00 0.00 N ATOM 0 H GLN A 91 3.548 0.398 -5.643 1.00 0.00 H new ATOM 0 HA GLN A 91 6.498 0.503 -5.381 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.761 0.649 -7.852 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.365 1.352 -7.813 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.395 -0.796 -7.330 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.842 -1.543 -7.013 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.611 -3.033 -8.512 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.707 -2.780 -10.258 1.00 0.00 H new ATOM 1387 N VAL A 92 6.356 2.875 -4.828 1.00 0.00 N ATOM 1388 CA VAL A 92 6.321 4.285 -4.478 1.00 0.00 C ATOM 1389 C VAL A 92 6.661 5.121 -5.714 1.00 0.00 C ATOM 1390 O VAL A 92 7.542 4.757 -6.491 1.00 0.00 O ATOM 1391 CB VAL A 92 7.256 4.554 -3.298 1.00 0.00 C ATOM 1392 CG1 VAL A 92 7.825 5.973 -3.363 1.00 0.00 C ATOM 1393 CG2 VAL A 92 6.544 4.309 -1.966 1.00 0.00 C ATOM 0 H VAL A 92 7.150 2.361 -4.447 1.00 0.00 H new ATOM 0 HA VAL A 92 5.321 4.574 -4.155 1.00 0.00 H new ATOM 0 HB VAL A 92 8.089 3.855 -3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.487 6.139 -2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.386 6.098 -4.289 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.008 6.694 -3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.232 4.508 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.682 4.972 -1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.210 3.273 -1.917 1.00 0.00 H new ATOM 1403 N HIS A 93 5.944 6.226 -5.856 1.00 0.00 N ATOM 1404 CA HIS A 93 6.158 7.117 -6.984 1.00 0.00 C ATOM 1405 C HIS A 93 6.049 8.570 -6.518 1.00 0.00 C ATOM 1406 O HIS A 93 4.961 9.144 -6.515 1.00 0.00 O ATOM 1407 CB HIS A 93 5.197 6.787 -8.128 1.00 0.00 C ATOM 1408 CG HIS A 93 5.563 5.540 -8.897 1.00 0.00 C ATOM 1409 ND1 HIS A 93 6.523 5.529 -9.894 1.00 0.00 N ATOM 1410 CD2 HIS A 93 5.090 4.264 -8.804 1.00 0.00 C ATOM 1411 CE1 HIS A 93 6.613 4.297 -10.374 1.00 0.00 C ATOM 1412 NE2 HIS A 93 5.724 3.515 -9.698 1.00 0.00 N ATOM 0 H HIS A 93 5.214 6.525 -5.209 1.00 0.00 H new ATOM 0 HA HIS A 93 7.163 6.973 -7.380 1.00 0.00 H new ATOM 0 HB2 HIS A 93 4.192 6.670 -7.722 1.00 0.00 H new ATOM 0 HB3 HIS A 93 5.166 7.631 -8.817 1.00 0.00 H new ATOM 0 HD2 HIS A 93 4.329 3.921 -8.119 1.00 0.00 H new ATOM 0 HE1 HIS A 93 7.275 3.970 -11.162 1.00 0.00 H new ATOM 0 HE2 HIS A 93 5.571 2.519 -9.854 1.00 0.00 H new ATOM 1420 N GLU A 94 7.190 9.123 -6.136 1.00 0.00 N ATOM 1421 CA GLU A 94 7.236 10.498 -5.669 1.00 0.00 C ATOM 1422 C GLU A 94 6.317 11.378 -6.519 1.00 0.00 C ATOM 1423 O GLU A 94 6.232 11.202 -7.733 1.00 0.00 O ATOM 1424 CB GLU A 94 8.670 11.033 -5.679 1.00 0.00 C ATOM 1425 CG GLU A 94 9.218 11.159 -4.256 1.00 0.00 C ATOM 1426 CD GLU A 94 9.277 12.624 -3.819 1.00 0.00 C ATOM 1427 OE1 GLU A 94 9.544 13.469 -4.700 1.00 0.00 O ATOM 1428 OE2 GLU A 94 9.053 12.865 -2.613 1.00 0.00 O ATOM 0 H GLU A 94 8.090 8.644 -6.140 1.00 0.00 H new ATOM 0 HA GLU A 94 6.881 10.523 -4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.307 10.366 -6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.696 12.006 -6.170 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.587 10.596 -3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.215 10.720 -4.206 1.00 0.00 H new