USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 856 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 8 SER OG : rot 124:sc= 0.228 USER MOD Set 1.2: A 82 SER OG : rot 69:sc= 1.58 USER MOD Set 2.1: A 65 GLN : amide:sc= 0.95 K(o=1.8,f=0.84) USER MOD Set 2.2: A 66 THR OG1 : rot -29:sc= 0.872! USER MOD Set 3.1: A 43 ASN : amide:sc= 0 X(o=-1.4,f=-1.5) USER MOD Set 3.2: A 44 SER OG : rot 94:sc= -2.4 USER MOD Set 3.3: A 61 GLN : amide:sc= 1.01 K(o=-1.4,f=-7.5!) USER MOD Single : A 6 HIS : no HE2:sc= 0.16 K(o=0.16,f=-7.7!) USER MOD Single : A 9 LYS NZ :NH3+ -150:sc= 2.19 (180deg=0.754!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= -3.81! C(o=-3.8!,f=-14!) USER MOD Single : A 15 SER OG : rot 30:sc= 1.28 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 20 GLN : amide:sc= -1.16 K(o=-1.2,f=-4.7!) USER MOD Single : A 23 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.39) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 172:sc= 1.59 (180deg=1.34) USER MOD Single : A 40 ASN : amide:sc= -0.0212 K(o=-0.021,f=-12!) USER MOD Single : A 45 TYR OH : rot 80:sc= -1.39 USER MOD Single : A 48 SER OG : rot 150:sc= 0.485 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 159:sc= 1.21 (180deg=1) USER MOD Single : A 57 HIS : no HD1:sc= -3.92! C(o=-3.9!,f=-5.3!) USER MOD Single : A 58 CYS SG : rot 41:sc= 0.165 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -7.5! C(o=-7.5!,f=-11!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 177:sc= -0.236 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 16:sc= 0.389 USER MOD Single : A 86 LYS NZ :NH3+ -153:sc= 0.877 (180deg=0.737) USER MOD Single : A 87 HIS : no HD1:sc= -0.0061 X(o=-0.0061,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 179:sc= 0.915 (180deg=0.84) USER MOD Single : A 93 MET CE :methyl -168:sc= -6.65! (180deg=-7.77!) USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= 0.43! (180deg=-1.61!) USER MOD Single : A 97 TYR OH : rot 30:sc= -1.97! USER MOD Single : A 100 ASN : amide:sc= -2.02! C(o=-2!,f=-3.5!) USER MOD Single : B 8 SER OG : rot -98:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 33 N GLU B 4 4.127 -3.567 -14.484 1.00 0.00 N ATOM 34 CA GLU B 4 2.970 -4.518 -14.474 1.00 0.00 C ATOM 35 C GLU B 4 3.374 -5.887 -13.873 1.00 0.00 C ATOM 36 O GLU B 4 4.091 -5.941 -12.891 1.00 0.00 O ATOM 37 CB GLU B 4 2.555 -4.637 -15.945 1.00 0.00 C ATOM 38 CG GLU B 4 1.037 -4.456 -16.050 1.00 0.00 C ATOM 39 CD GLU B 4 0.317 -5.640 -15.402 1.00 0.00 C ATOM 40 OE1 GLU B 4 0.261 -5.689 -14.178 1.00 0.00 O ATOM 41 OE2 GLU B 4 -0.164 -6.480 -16.138 1.00 0.00 O ATOM 0 HA GLU B 4 2.148 -4.166 -13.851 1.00 0.00 H new ATOM 0 HB2 GLU B 4 3.067 -3.883 -16.543 1.00 0.00 H new ATOM 0 HB3 GLU B 4 2.847 -5.610 -16.341 1.00 0.00 H new ATOM 0 HG2 GLU B 4 0.739 -3.528 -15.561 1.00 0.00 H new ATOM 0 HG3 GLU B 4 0.745 -4.372 -17.097 1.00 0.00 H new ATOM 48 N VAL B 5 2.900 -6.988 -14.440 1.00 0.00 N ATOM 49 CA VAL B 5 3.232 -8.351 -13.896 1.00 0.00 C ATOM 50 C VAL B 5 2.697 -8.476 -12.460 1.00 0.00 C ATOM 51 O VAL B 5 3.416 -8.831 -11.548 1.00 0.00 O ATOM 52 CB VAL B 5 4.769 -8.457 -13.924 1.00 0.00 C ATOM 53 CG1 VAL B 5 5.194 -9.892 -13.598 1.00 0.00 C ATOM 54 CG2 VAL B 5 5.297 -8.087 -15.314 1.00 0.00 C ATOM 0 H VAL B 5 2.294 -6.994 -15.261 1.00 0.00 H new ATOM 0 HA VAL B 5 2.778 -9.150 -14.482 1.00 0.00 H new ATOM 0 HB VAL B 5 5.180 -7.771 -13.184 1.00 0.00 H new ATOM 0 HG11 VAL B 5 6.281 -9.963 -13.619 1.00 0.00 H new ATOM 0 HG12 VAL B 5 4.832 -10.162 -12.606 1.00 0.00 H new ATOM 0 HG13 VAL B 5 4.772 -10.573 -14.337 1.00 0.00 H new ATOM 0 HG21 VAL B 5 6.384 -8.165 -15.323 1.00 0.00 H new ATOM 0 HG22 VAL B 5 4.878 -8.768 -16.055 1.00 0.00 H new ATOM 0 HG23 VAL B 5 5.005 -7.065 -15.554 1.00 0.00 H new ATOM 89 N GLU B 7 -0.747 -9.462 -9.540 1.00 0.00 N ATOM 90 CA GLU B 7 -1.897 -10.392 -9.330 1.00 0.00 C ATOM 91 C GLU B 7 -2.571 -10.142 -7.948 1.00 0.00 C ATOM 92 O GLU B 7 -3.679 -9.652 -7.879 1.00 0.00 O ATOM 93 CB GLU B 7 -1.281 -11.798 -9.400 1.00 0.00 C ATOM 94 CG GLU B 7 -2.319 -12.806 -9.912 1.00 0.00 C ATOM 95 CD GLU B 7 -3.548 -12.798 -9.002 1.00 0.00 C ATOM 96 OE1 GLU B 7 -3.397 -13.096 -7.826 1.00 0.00 O ATOM 97 OE2 GLU B 7 -4.619 -12.481 -9.497 1.00 0.00 O ATOM 0 HA GLU B 7 -2.681 -10.252 -10.074 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -0.414 -11.791 -10.060 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.928 -12.098 -8.413 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -2.610 -12.555 -10.932 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -1.884 -13.805 -9.941 1.00 0.00 H new ATOM 104 N SER B 8 -1.915 -10.483 -6.855 1.00 0.00 N ATOM 105 CA SER B 8 -2.523 -10.270 -5.484 1.00 0.00 C ATOM 106 C SER B 8 -1.547 -9.463 -4.600 1.00 0.00 C ATOM 107 O SER B 8 -0.481 -9.945 -4.260 1.00 0.00 O ATOM 108 CB SER B 8 -2.750 -11.675 -4.901 1.00 0.00 C ATOM 109 OG SER B 8 -2.067 -12.650 -5.687 1.00 0.00 O ATOM 0 H SER B 8 -0.984 -10.900 -6.849 1.00 0.00 H new ATOM 0 HA SER B 8 -3.457 -9.710 -5.533 1.00 0.00 H new ATOM 0 HB2 SER B 8 -2.393 -11.712 -3.872 1.00 0.00 H new ATOM 0 HB3 SER B 8 -3.817 -11.899 -4.877 1.00 0.00 H new ATOM 0 HG SER B 8 -2.697 -13.068 -6.310 1.00 0.00 H new ATOM 115 N PRO B 9 -1.923 -8.232 -4.304 1.00 0.00 N ATOM 116 CA PRO B 9 -1.046 -7.318 -3.521 1.00 0.00 C ATOM 117 C PRO B 9 -1.106 -7.553 -1.999 1.00 0.00 C ATOM 118 O PRO B 9 -0.366 -8.366 -1.466 1.00 0.00 O ATOM 119 CB PRO B 9 -1.576 -5.933 -3.889 1.00 0.00 C ATOM 120 CG PRO B 9 -3.006 -6.137 -4.296 1.00 0.00 C ATOM 121 CD PRO B 9 -3.189 -7.589 -4.664 1.00 0.00 C ATOM 0 HA PRO B 9 0.007 -7.469 -3.760 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -1.504 -5.249 -3.043 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -0.997 -5.496 -4.702 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -3.676 -5.864 -3.481 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -3.256 -5.496 -5.142 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -4.025 -8.031 -4.122 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -3.402 -7.703 -5.727 1.00 0.00 H new ATOM 154 N ALA B 11 -4.140 -7.450 1.287 1.00 0.00 N ATOM 155 CA ALA B 11 -5.495 -7.098 1.826 1.00 0.00 C ATOM 156 C ALA B 11 -5.380 -6.664 3.299 1.00 0.00 C ATOM 157 O ALA B 11 -5.636 -5.527 3.647 1.00 0.00 O ATOM 158 CB ALA B 11 -6.325 -8.382 1.697 1.00 0.00 C ATOM 0 HA ALA B 11 -5.954 -6.269 1.287 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -7.333 -8.203 2.072 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -6.375 -8.679 0.649 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -5.857 -9.177 2.277 1.00 0.00 H new ATOM 164 N ASP B 12 -4.984 -7.565 4.160 1.00 0.00 N ATOM 165 CA ASP B 12 -4.837 -7.220 5.607 1.00 0.00 C ATOM 166 C ASP B 12 -3.373 -7.402 6.042 1.00 0.00 C ATOM 167 O ASP B 12 -2.609 -8.064 5.364 1.00 0.00 O ATOM 168 CB ASP B 12 -5.753 -8.207 6.337 1.00 0.00 C ATOM 169 CG ASP B 12 -7.204 -7.936 5.954 1.00 0.00 C ATOM 170 OD1 ASP B 12 -7.762 -6.981 6.466 1.00 0.00 O ATOM 171 OD2 ASP B 12 -7.731 -8.690 5.153 1.00 0.00 O ATOM 0 H ASP B 12 -4.755 -8.530 3.923 1.00 0.00 H new ATOM 0 HA ASP B 12 -5.103 -6.186 5.824 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -5.483 -9.230 6.077 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -5.626 -8.108 7.415 1.00 0.00 H new ATOM 176 N PRO B 13 -3.025 -6.809 7.161 1.00 0.00 N ATOM 177 CA PRO B 13 -1.633 -6.919 7.675 1.00 0.00 C ATOM 178 C PRO B 13 -1.368 -8.308 8.276 1.00 0.00 C ATOM 179 O PRO B 13 -2.280 -9.024 8.656 1.00 0.00 O ATOM 180 CB PRO B 13 -1.563 -5.845 8.753 1.00 0.00 C ATOM 181 CG PRO B 13 -2.977 -5.653 9.203 1.00 0.00 C ATOM 182 CD PRO B 13 -3.873 -5.993 8.039 1.00 0.00 C ATOM 0 HA PRO B 13 -0.887 -6.789 6.891 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -0.925 -6.157 9.580 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -1.145 -4.918 8.360 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -3.198 -6.294 10.057 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -3.141 -4.625 9.525 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -4.757 -6.543 8.363 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -4.225 -5.095 7.531 1.00 0.00 H new ATOM 243 N GLY A 4 -10.030 1.114 8.324 1.00 0.00 N ATOM 244 CA GLY A 4 -9.286 2.400 8.508 1.00 0.00 C ATOM 245 C GLY A 4 -10.015 3.525 7.773 1.00 0.00 C ATOM 246 O GLY A 4 -11.096 3.931 8.170 1.00 0.00 O ATOM 0 HA2 GLY A 4 -9.207 2.637 9.569 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.270 2.302 8.126 1.00 0.00 H new ATOM 250 N ILE A 5 -9.426 4.045 6.716 1.00 0.00 N ATOM 251 CA ILE A 5 -10.057 5.167 5.921 1.00 0.00 C ATOM 252 C ILE A 5 -10.166 6.476 6.741 1.00 0.00 C ATOM 253 O ILE A 5 -10.083 7.562 6.193 1.00 0.00 O ATOM 254 CB ILE A 5 -11.443 4.648 5.506 1.00 0.00 C ATOM 255 CG1 ILE A 5 -11.308 3.754 4.269 1.00 0.00 C ATOM 256 CG2 ILE A 5 -12.369 5.820 5.167 1.00 0.00 C ATOM 257 CD1 ILE A 5 -10.622 2.439 4.645 1.00 0.00 C ATOM 0 H ILE A 5 -8.520 3.737 6.362 1.00 0.00 H new ATOM 0 HA ILE A 5 -9.446 5.425 5.056 1.00 0.00 H new ATOM 0 HB ILE A 5 -11.864 4.080 6.336 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.293 3.552 3.847 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.731 4.268 3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -13.347 5.438 4.875 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -12.477 6.463 6.040 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.943 6.394 4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -10.531 1.810 3.759 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -9.630 2.648 5.046 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.216 1.921 5.398 1.00 0.00 H new ATOM 269 N HIS A 6 -10.327 6.396 8.038 1.00 0.00 N ATOM 270 CA HIS A 6 -10.417 7.626 8.875 1.00 0.00 C ATOM 271 C HIS A 6 -9.073 7.829 9.577 1.00 0.00 C ATOM 272 O HIS A 6 -8.406 8.831 9.387 1.00 0.00 O ATOM 273 CB HIS A 6 -11.536 7.345 9.892 1.00 0.00 C ATOM 274 CG HIS A 6 -12.796 6.943 9.172 1.00 0.00 C ATOM 275 ND1 HIS A 6 -12.958 5.684 8.610 1.00 0.00 N ATOM 276 CD2 HIS A 6 -13.960 7.621 8.913 1.00 0.00 C ATOM 277 CE1 HIS A 6 -14.180 5.648 8.046 1.00 0.00 C ATOM 278 NE2 HIS A 6 -14.832 6.802 8.201 1.00 0.00 N ATOM 0 H HIS A 6 -10.400 5.520 8.556 1.00 0.00 H new ATOM 0 HA HIS A 6 -10.634 8.526 8.300 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.228 6.552 10.574 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -11.720 8.233 10.497 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -12.276 4.925 8.622 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -14.168 8.637 9.216 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -14.584 4.789 7.531 1.00 0.00 H new ATOM 286 N GLU A 7 -8.664 6.861 10.356 1.00 0.00 N ATOM 287 CA GLU A 7 -7.347 6.940 11.068 1.00 0.00 C ATOM 288 C GLU A 7 -6.196 6.876 10.046 1.00 0.00 C ATOM 289 O GLU A 7 -5.251 7.642 10.112 1.00 0.00 O ATOM 290 CB GLU A 7 -7.327 5.714 11.998 1.00 0.00 C ATOM 291 CG GLU A 7 -8.601 5.687 12.864 1.00 0.00 C ATOM 292 CD GLU A 7 -9.566 4.612 12.350 1.00 0.00 C ATOM 293 OE1 GLU A 7 -10.015 4.731 11.219 1.00 0.00 O ATOM 294 OE2 GLU A 7 -9.844 3.687 13.098 1.00 0.00 O ATOM 0 H GLU A 7 -9.192 6.006 10.533 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.224 7.869 11.625 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.260 4.800 11.407 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.444 5.746 12.637 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.340 5.485 13.903 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.086 6.663 12.841 1.00 0.00 H new ATOM 301 N SER A 8 -6.287 5.983 9.089 1.00 0.00 N ATOM 302 CA SER A 8 -5.226 5.872 8.033 1.00 0.00 C ATOM 303 C SER A 8 -5.568 6.823 6.877 1.00 0.00 C ATOM 304 O SER A 8 -6.550 7.545 6.946 1.00 0.00 O ATOM 305 CB SER A 8 -5.273 4.416 7.568 1.00 0.00 C ATOM 306 OG SER A 8 -6.621 3.972 7.551 1.00 0.00 O ATOM 0 H SER A 8 -7.056 5.320 8.992 1.00 0.00 H new ATOM 0 HA SER A 8 -4.234 6.139 8.398 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.836 4.326 6.574 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.680 3.790 8.235 1.00 0.00 H new ATOM 0 HG SER A 8 -6.844 3.636 6.658 1.00 0.00 H new ATOM 312 N LYS A 9 -4.791 6.856 5.816 1.00 0.00 N ATOM 313 CA LYS A 9 -5.146 7.802 4.705 1.00 0.00 C ATOM 314 C LYS A 9 -4.347 7.570 3.409 1.00 0.00 C ATOM 315 O LYS A 9 -4.135 8.500 2.650 1.00 0.00 O ATOM 316 CB LYS A 9 -4.840 9.194 5.268 1.00 0.00 C ATOM 317 CG LYS A 9 -5.948 10.167 4.847 1.00 0.00 C ATOM 318 CD LYS A 9 -6.669 10.699 6.093 1.00 0.00 C ATOM 319 CE LYS A 9 -8.169 10.381 6.015 1.00 0.00 C ATOM 320 NZ LYS A 9 -8.344 9.128 6.803 1.00 0.00 N ATOM 0 H LYS A 9 -3.955 6.290 5.672 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.187 7.663 4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.771 9.152 6.355 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.875 9.543 4.901 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.522 10.995 4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.658 9.663 4.191 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.241 10.250 6.989 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.522 11.776 6.175 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.766 11.193 6.429 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.490 10.245 4.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.140 8.582 6.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.475 8.559 6.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.540 9.367 7.796 1.00 0.00 H new ATOM 334 N GLU A 10 -3.932 6.361 3.105 1.00 0.00 N ATOM 335 CA GLU A 10 -3.196 6.157 1.813 1.00 0.00 C ATOM 336 C GLU A 10 -4.204 6.207 0.661 1.00 0.00 C ATOM 337 O GLU A 10 -4.608 5.201 0.110 1.00 0.00 O ATOM 338 CB GLU A 10 -2.524 4.787 1.893 1.00 0.00 C ATOM 339 CG GLU A 10 -1.231 4.806 1.056 1.00 0.00 C ATOM 340 CD GLU A 10 -1.499 4.273 -0.359 1.00 0.00 C ATOM 341 OE1 GLU A 10 -1.553 3.066 -0.512 1.00 0.00 O ATOM 342 OE2 GLU A 10 -1.622 5.082 -1.270 1.00 0.00 O ATOM 0 H GLU A 10 -4.066 5.527 3.677 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.445 6.928 1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.296 4.541 2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.199 4.015 1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.842 5.823 1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.467 4.198 1.541 1.00 0.00 H new ATOM 349 N TRP A 11 -4.630 7.389 0.322 1.00 0.00 N ATOM 350 CA TRP A 11 -5.632 7.558 -0.773 1.00 0.00 C ATOM 351 C TRP A 11 -4.952 7.921 -2.105 1.00 0.00 C ATOM 352 O TRP A 11 -5.611 8.241 -3.074 1.00 0.00 O ATOM 353 CB TRP A 11 -6.537 8.695 -0.291 1.00 0.00 C ATOM 354 CG TRP A 11 -7.967 8.313 -0.496 1.00 0.00 C ATOM 355 CD1 TRP A 11 -8.649 7.423 0.259 1.00 0.00 C ATOM 356 CD2 TRP A 11 -8.897 8.791 -1.507 1.00 0.00 C ATOM 357 NE1 TRP A 11 -9.939 7.320 -0.229 1.00 0.00 N ATOM 358 CE2 TRP A 11 -10.140 8.145 -1.315 1.00 0.00 C ATOM 359 CE3 TRP A 11 -8.783 9.714 -2.563 1.00 0.00 C ATOM 360 CZ2 TRP A 11 -11.233 8.404 -2.142 1.00 0.00 C ATOM 361 CZ3 TRP A 11 -9.880 9.978 -3.397 1.00 0.00 C ATOM 362 CH2 TRP A 11 -11.104 9.324 -3.188 1.00 0.00 C ATOM 0 H TRP A 11 -4.325 8.258 0.760 1.00 0.00 H new ATOM 0 HA TRP A 11 -6.186 6.639 -0.967 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -6.352 8.900 0.763 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -6.312 9.610 -0.838 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -8.252 6.881 1.105 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -10.654 6.709 0.166 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -7.845 10.222 -2.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -12.172 7.898 -1.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -9.782 10.689 -4.204 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -11.945 9.531 -3.834 1.00 0.00 H new ATOM 373 N TYR A 12 -3.640 7.883 -2.159 1.00 0.00 N ATOM 374 CA TYR A 12 -2.911 8.234 -3.425 1.00 0.00 C ATOM 375 C TYR A 12 -3.450 7.454 -4.643 1.00 0.00 C ATOM 376 O TYR A 12 -3.299 7.883 -5.771 1.00 0.00 O ATOM 377 CB TYR A 12 -1.452 7.866 -3.150 1.00 0.00 C ATOM 378 CG TYR A 12 -0.567 8.800 -3.929 1.00 0.00 C ATOM 379 CD1 TYR A 12 -0.457 8.646 -5.311 1.00 0.00 C ATOM 380 CD2 TYR A 12 0.129 9.825 -3.279 1.00 0.00 C ATOM 381 CE1 TYR A 12 0.348 9.510 -6.048 1.00 0.00 C ATOM 382 CE2 TYR A 12 0.937 10.697 -4.020 1.00 0.00 C ATOM 383 CZ TYR A 12 1.047 10.538 -5.407 1.00 0.00 C ATOM 384 OH TYR A 12 1.838 11.395 -6.144 1.00 0.00 O ATOM 0 H TYR A 12 -3.039 7.623 -1.377 1.00 0.00 H new ATOM 0 HA TYR A 12 -3.039 9.287 -3.676 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.237 7.942 -2.084 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.261 6.833 -3.441 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.997 7.855 -5.810 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.044 9.944 -2.209 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.433 9.386 -7.118 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.474 11.491 -3.522 1.00 0.00 H new ATOM 0 HH TYR A 12 2.253 12.052 -5.547 1.00 0.00 H new ATOM 394 N HIS A 13 -4.068 6.316 -4.421 1.00 0.00 N ATOM 395 CA HIS A 13 -4.622 5.501 -5.558 1.00 0.00 C ATOM 396 C HIS A 13 -5.685 6.292 -6.356 1.00 0.00 C ATOM 397 O HIS A 13 -6.880 6.079 -6.225 1.00 0.00 O ATOM 398 CB HIS A 13 -5.237 4.246 -4.897 1.00 0.00 C ATOM 399 CG HIS A 13 -6.179 4.614 -3.774 1.00 0.00 C ATOM 400 ND1 HIS A 13 -7.304 5.391 -3.977 1.00 0.00 N ATOM 401 CD2 HIS A 13 -6.181 4.296 -2.439 1.00 0.00 C ATOM 402 CE1 HIS A 13 -7.935 5.514 -2.796 1.00 0.00 C ATOM 403 NE2 HIS A 13 -7.291 4.864 -1.824 1.00 0.00 N ATOM 0 H HIS A 13 -4.214 5.912 -3.496 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.847 5.240 -6.279 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.774 3.665 -5.647 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -4.440 3.610 -4.511 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -7.602 5.798 -4.864 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -5.434 3.696 -1.942 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -8.850 6.070 -2.652 1.00 0.00 H new ATOM 411 N ALA A 14 -5.256 7.192 -7.197 1.00 0.00 N ATOM 412 CA ALA A 14 -6.224 7.986 -8.008 1.00 0.00 C ATOM 413 C ALA A 14 -5.678 8.202 -9.427 1.00 0.00 C ATOM 414 O ALA A 14 -6.190 7.650 -10.386 1.00 0.00 O ATOM 415 CB ALA A 14 -6.363 9.313 -7.255 1.00 0.00 C ATOM 0 H ALA A 14 -4.273 7.413 -7.359 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.186 7.487 -8.125 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.061 9.961 -7.785 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.737 9.123 -6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.390 9.800 -7.194 1.00 0.00 H new ATOM 421 N SER A 15 -4.646 8.998 -9.575 1.00 0.00 N ATOM 422 CA SER A 15 -4.075 9.246 -10.939 1.00 0.00 C ATOM 423 C SER A 15 -2.668 9.853 -10.831 1.00 0.00 C ATOM 424 O SER A 15 -2.509 11.039 -10.612 1.00 0.00 O ATOM 425 CB SER A 15 -5.048 10.228 -11.600 1.00 0.00 C ATOM 426 OG SER A 15 -6.065 9.495 -12.280 1.00 0.00 O ATOM 0 H SER A 15 -4.175 9.486 -8.813 1.00 0.00 H new ATOM 0 HA SER A 15 -3.970 8.328 -11.517 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.494 10.879 -10.848 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.515 10.870 -12.301 1.00 0.00 H new ATOM 0 HG SER A 15 -6.217 8.643 -11.820 1.00 0.00 H new ATOM 432 N LEU A 16 -1.646 9.041 -10.976 1.00 0.00 N ATOM 433 CA LEU A 16 -0.244 9.562 -10.876 1.00 0.00 C ATOM 434 C LEU A 16 0.683 8.844 -11.880 1.00 0.00 C ATOM 435 O LEU A 16 0.284 8.505 -12.979 1.00 0.00 O ATOM 436 CB LEU A 16 0.181 9.271 -9.425 1.00 0.00 C ATOM 437 CG LEU A 16 0.355 7.755 -9.223 1.00 0.00 C ATOM 438 CD1 LEU A 16 1.563 7.472 -8.318 1.00 0.00 C ATOM 439 CD2 LEU A 16 -0.906 7.179 -8.580 1.00 0.00 C ATOM 0 H LEU A 16 -1.722 8.040 -11.159 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.182 10.624 -11.115 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.115 9.786 -9.200 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.569 9.655 -8.733 1.00 0.00 H new ATOM 0 HG LEU A 16 0.522 7.287 -10.193 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.673 6.396 -8.184 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.465 7.875 -8.779 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.409 7.944 -7.348 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.783 6.105 -8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.073 7.657 -7.615 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.762 7.363 -9.229 1.00 0.00 H new ATOM 451 N THR A 17 1.917 8.617 -11.501 1.00 0.00 N ATOM 452 CA THR A 17 2.888 7.930 -12.406 1.00 0.00 C ATOM 453 C THR A 17 2.805 6.406 -12.265 1.00 0.00 C ATOM 454 O THR A 17 2.190 5.877 -11.360 1.00 0.00 O ATOM 455 CB THR A 17 4.268 8.411 -11.955 1.00 0.00 C ATOM 456 OG1 THR A 17 4.382 8.252 -10.548 1.00 0.00 O ATOM 457 CG2 THR A 17 4.444 9.885 -12.319 1.00 0.00 C ATOM 0 H THR A 17 2.296 8.882 -10.592 1.00 0.00 H new ATOM 0 HA THR A 17 2.679 8.162 -13.450 1.00 0.00 H new ATOM 0 HB THR A 17 5.039 7.824 -12.454 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.266 8.558 -10.255 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.428 10.224 -11.996 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.354 10.006 -13.398 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.675 10.477 -11.822 1.00 0.00 H new ATOM 465 N ARG A 18 3.438 5.713 -13.169 1.00 0.00 N ATOM 466 CA ARG A 18 3.456 4.218 -13.149 1.00 0.00 C ATOM 467 C ARG A 18 4.636 3.711 -12.289 1.00 0.00 C ATOM 468 O ARG A 18 4.899 4.226 -11.215 1.00 0.00 O ATOM 469 CB ARG A 18 3.592 3.785 -14.615 1.00 0.00 C ATOM 470 CG ARG A 18 2.596 4.553 -15.492 1.00 0.00 C ATOM 471 CD ARG A 18 1.868 3.576 -16.420 1.00 0.00 C ATOM 472 NE ARG A 18 2.679 3.541 -17.679 1.00 0.00 N ATOM 473 CZ ARG A 18 2.613 2.509 -18.467 1.00 0.00 C ATOM 474 NH1 ARG A 18 1.475 2.144 -18.960 1.00 0.00 N ATOM 475 NH2 ARG A 18 3.687 1.853 -18.777 1.00 0.00 N ATOM 0 H ARG A 18 3.958 6.129 -13.942 1.00 0.00 H new ATOM 0 HA ARG A 18 2.553 3.799 -12.706 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.609 3.968 -14.962 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.413 2.713 -14.703 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.876 5.080 -14.866 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.120 5.307 -16.080 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.798 2.586 -15.970 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.849 3.908 -16.619 1.00 0.00 H new ATOM 0 HE ARG A 18 3.283 4.327 -17.918 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.629 2.666 -18.731 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.423 1.334 -19.578 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.589 2.146 -18.402 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.630 1.044 -19.396 1.00 0.00 H new ATOM 489 N ALA A 19 5.315 2.679 -12.742 1.00 0.00 N ATOM 490 CA ALA A 19 6.458 2.069 -11.969 1.00 0.00 C ATOM 491 C ALA A 19 7.392 3.107 -11.351 1.00 0.00 C ATOM 492 O ALA A 19 8.031 2.836 -10.352 1.00 0.00 O ATOM 493 CB ALA A 19 7.245 1.286 -13.008 1.00 0.00 C ATOM 0 H ALA A 19 5.123 2.222 -13.634 1.00 0.00 H new ATOM 0 HA ALA A 19 6.070 1.474 -11.142 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.100 0.806 -12.531 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.604 0.525 -13.453 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.596 1.964 -13.785 1.00 0.00 H new ATOM 499 N GLN A 20 7.478 4.285 -11.903 1.00 0.00 N ATOM 500 CA GLN A 20 8.370 5.312 -11.289 1.00 0.00 C ATOM 501 C GLN A 20 8.021 5.437 -9.793 1.00 0.00 C ATOM 502 O GLN A 20 8.891 5.476 -8.936 1.00 0.00 O ATOM 503 CB GLN A 20 8.050 6.599 -12.046 1.00 0.00 C ATOM 504 CG GLN A 20 8.462 7.792 -11.196 1.00 0.00 C ATOM 505 CD GLN A 20 8.220 9.088 -11.972 1.00 0.00 C ATOM 506 OE1 GLN A 20 7.267 9.195 -12.714 1.00 0.00 O ATOM 507 NE2 GLN A 20 9.043 10.084 -11.833 1.00 0.00 N ATOM 0 H GLN A 20 6.977 4.580 -12.741 1.00 0.00 H new ATOM 0 HA GLN A 20 9.431 5.070 -11.354 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.579 6.616 -12.999 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.985 6.648 -12.271 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.893 7.802 -10.266 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.515 7.711 -10.924 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.846 9.999 -11.210 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.886 10.951 -12.347 1.00 0.00 H new ATOM 516 N ALA A 21 6.745 5.449 -9.483 1.00 0.00 N ATOM 517 CA ALA A 21 6.303 5.516 -8.058 1.00 0.00 C ATOM 518 C ALA A 21 6.562 4.156 -7.391 1.00 0.00 C ATOM 519 O ALA A 21 7.013 4.086 -6.257 1.00 0.00 O ATOM 520 CB ALA A 21 4.806 5.825 -8.128 1.00 0.00 C ATOM 0 H ALA A 21 5.987 5.415 -10.165 1.00 0.00 H new ATOM 0 HA ALA A 21 6.834 6.268 -7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.401 5.891 -7.118 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.654 6.773 -8.643 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.296 5.031 -8.672 1.00 0.00 H new ATOM 526 N GLU A 22 6.314 3.079 -8.111 1.00 0.00 N ATOM 527 CA GLU A 22 6.572 1.710 -7.556 1.00 0.00 C ATOM 528 C GLU A 22 8.030 1.623 -7.087 1.00 0.00 C ATOM 529 O GLU A 22 8.318 1.295 -5.947 1.00 0.00 O ATOM 530 CB GLU A 22 6.353 0.724 -8.723 1.00 0.00 C ATOM 531 CG GLU A 22 4.949 0.885 -9.338 1.00 0.00 C ATOM 532 CD GLU A 22 4.741 -0.126 -10.485 1.00 0.00 C ATOM 533 OE1 GLU A 22 5.578 -1.003 -10.656 1.00 0.00 O ATOM 534 OE2 GLU A 22 3.749 0.001 -11.180 1.00 0.00 O ATOM 0 H GLU A 22 5.943 3.093 -9.061 1.00 0.00 H new ATOM 0 HA GLU A 22 5.918 1.487 -6.713 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.109 0.891 -9.490 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.481 -0.298 -8.367 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.190 0.734 -8.570 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.825 1.901 -9.714 1.00 0.00 H new ATOM 541 N HIS A 23 8.950 1.922 -7.973 1.00 0.00 N ATOM 542 CA HIS A 23 10.400 1.865 -7.625 1.00 0.00 C ATOM 543 C HIS A 23 10.762 2.919 -6.574 1.00 0.00 C ATOM 544 O HIS A 23 11.553 2.654 -5.688 1.00 0.00 O ATOM 545 CB HIS A 23 11.140 2.142 -8.936 1.00 0.00 C ATOM 546 CG HIS A 23 11.754 0.869 -9.444 1.00 0.00 C ATOM 547 ND1 HIS A 23 12.444 -0.005 -8.616 1.00 0.00 N ATOM 548 CD2 HIS A 23 11.783 0.304 -10.692 1.00 0.00 C ATOM 549 CE1 HIS A 23 12.853 -1.039 -9.373 1.00 0.00 C ATOM 550 NE2 HIS A 23 12.478 -0.899 -10.646 1.00 0.00 N ATOM 0 H HIS A 23 8.753 2.206 -8.933 1.00 0.00 H new ATOM 0 HA HIS A 23 10.668 0.900 -7.196 1.00 0.00 H new ATOM 0 HB2 HIS A 23 10.450 2.546 -9.677 1.00 0.00 H new ATOM 0 HB3 HIS A 23 11.914 2.893 -8.777 1.00 0.00 H new ATOM 0 HD2 HIS A 23 11.334 0.729 -11.577 1.00 0.00 H new ATOM 0 HE1 HIS A 23 13.416 -1.880 -8.996 1.00 0.00 H new ATOM 0 HE2 HIS A 23 12.662 -1.538 -11.420 1.00 0.00 H new ATOM 558 N MET A 24 10.205 4.109 -6.653 1.00 0.00 N ATOM 559 CA MET A 24 10.557 5.144 -5.631 1.00 0.00 C ATOM 560 C MET A 24 10.233 4.625 -4.226 1.00 0.00 C ATOM 561 O MET A 24 11.051 4.699 -3.325 1.00 0.00 O ATOM 562 CB MET A 24 9.689 6.365 -5.967 1.00 0.00 C ATOM 563 CG MET A 24 9.616 7.307 -4.755 1.00 0.00 C ATOM 564 SD MET A 24 9.073 8.946 -5.298 1.00 0.00 S ATOM 565 CE MET A 24 7.378 8.845 -4.673 1.00 0.00 C ATOM 0 H MET A 24 9.536 4.401 -7.366 1.00 0.00 H new ATOM 0 HA MET A 24 11.619 5.391 -5.647 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.106 6.893 -6.824 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.687 6.043 -6.248 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.923 6.910 -4.013 1.00 0.00 H new ATOM 0 HG3 MET A 24 10.592 7.376 -4.275 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.850 9.770 -4.903 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.865 8.007 -5.145 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.397 8.697 -3.593 1.00 0.00 H new ATOM 575 N LEU A 25 9.053 4.091 -4.030 1.00 0.00 N ATOM 576 CA LEU A 25 8.693 3.579 -2.676 1.00 0.00 C ATOM 577 C LEU A 25 9.452 2.296 -2.345 1.00 0.00 C ATOM 578 O LEU A 25 10.033 2.180 -1.289 1.00 0.00 O ATOM 579 CB LEU A 25 7.191 3.327 -2.705 1.00 0.00 C ATOM 580 CG LEU A 25 6.451 4.438 -1.949 1.00 0.00 C ATOM 581 CD1 LEU A 25 7.217 4.874 -0.695 1.00 0.00 C ATOM 582 CD2 LEU A 25 6.263 5.644 -2.871 1.00 0.00 C ATOM 0 H LEU A 25 8.331 3.989 -4.743 1.00 0.00 H new ATOM 0 HA LEU A 25 8.962 4.300 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.842 3.285 -3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.969 2.360 -2.254 1.00 0.00 H new ATOM 0 HG LEU A 25 5.483 4.045 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.662 5.662 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.334 4.022 -0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.200 5.249 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.737 6.434 -2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.237 6.011 -3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.680 5.348 -3.743 1.00 0.00 H new ATOM 594 N MET A 26 9.471 1.338 -3.231 1.00 0.00 N ATOM 595 CA MET A 26 10.225 0.081 -2.938 1.00 0.00 C ATOM 596 C MET A 26 11.680 0.433 -2.582 1.00 0.00 C ATOM 597 O MET A 26 12.294 -0.194 -1.739 1.00 0.00 O ATOM 598 CB MET A 26 10.150 -0.721 -4.243 1.00 0.00 C ATOM 599 CG MET A 26 11.084 -1.931 -4.180 1.00 0.00 C ATOM 600 SD MET A 26 12.441 -1.692 -5.356 1.00 0.00 S ATOM 601 CE MET A 26 12.801 -3.440 -5.657 1.00 0.00 C ATOM 0 H MET A 26 9.003 1.368 -4.137 1.00 0.00 H new ATOM 0 HA MET A 26 9.821 -0.483 -2.097 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.126 -1.053 -4.415 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.425 -0.085 -5.084 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.478 -2.050 -3.171 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.536 -2.842 -4.418 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.623 -3.525 -6.368 1.00 0.00 H new ATOM 0 HE2 MET A 26 13.081 -3.921 -4.720 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.916 -3.929 -6.065 1.00 0.00 H new ATOM 611 N ARG A 27 12.227 1.434 -3.230 1.00 0.00 N ATOM 612 CA ARG A 27 13.639 1.850 -2.956 1.00 0.00 C ATOM 613 C ARG A 27 13.774 2.783 -1.725 1.00 0.00 C ATOM 614 O ARG A 27 14.873 2.960 -1.223 1.00 0.00 O ATOM 615 CB ARG A 27 14.092 2.563 -4.238 1.00 0.00 C ATOM 616 CG ARG A 27 13.774 4.065 -4.159 1.00 0.00 C ATOM 617 CD ARG A 27 15.060 4.850 -3.881 1.00 0.00 C ATOM 618 NE ARG A 27 14.726 5.723 -2.716 1.00 0.00 N ATOM 619 CZ ARG A 27 15.640 6.030 -1.847 1.00 0.00 C ATOM 620 NH1 ARG A 27 16.030 5.149 -0.977 1.00 0.00 N ATOM 621 NH2 ARG A 27 16.161 7.217 -1.853 1.00 0.00 N ATOM 0 H ARG A 27 11.751 1.985 -3.944 1.00 0.00 H new ATOM 0 HA ARG A 27 14.255 0.985 -2.710 1.00 0.00 H new ATOM 0 HB2 ARG A 27 15.163 2.419 -4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.592 2.124 -5.101 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.326 4.402 -5.094 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.045 4.251 -3.371 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.890 4.182 -3.650 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.358 5.441 -4.747 1.00 0.00 H new ATOM 0 HE ARG A 27 13.777 6.079 -2.603 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.618 4.216 -0.976 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.748 5.390 -0.294 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.852 7.906 -2.539 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.879 7.462 -1.172 1.00 0.00 H new ATOM 635 N VAL A 28 12.708 3.432 -1.262 1.00 0.00 N ATOM 636 CA VAL A 28 12.862 4.385 -0.085 1.00 0.00 C ATOM 637 C VAL A 28 13.796 3.838 1.012 1.00 0.00 C ATOM 638 O VAL A 28 13.952 2.641 1.168 1.00 0.00 O ATOM 639 CB VAL A 28 11.471 4.600 0.514 1.00 0.00 C ATOM 640 CG1 VAL A 28 10.541 5.179 -0.540 1.00 0.00 C ATOM 641 CG2 VAL A 28 10.912 3.275 1.037 1.00 0.00 C ATOM 0 H VAL A 28 11.763 3.347 -1.636 1.00 0.00 H new ATOM 0 HA VAL A 28 13.308 5.311 -0.449 1.00 0.00 H new ATOM 0 HB VAL A 28 11.547 5.300 1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.552 5.330 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.935 6.134 -0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.469 4.489 -1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.922 3.440 1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.841 2.561 0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.575 2.879 1.806 1.00 0.00 H new ATOM 651 N PRO A 29 14.381 4.759 1.749 1.00 0.00 N ATOM 652 CA PRO A 29 15.308 4.394 2.857 1.00 0.00 C ATOM 653 C PRO A 29 14.553 3.769 4.044 1.00 0.00 C ATOM 654 O PRO A 29 14.840 2.654 4.448 1.00 0.00 O ATOM 655 CB PRO A 29 15.935 5.733 3.251 1.00 0.00 C ATOM 656 CG PRO A 29 14.944 6.769 2.821 1.00 0.00 C ATOM 657 CD PRO A 29 14.233 6.216 1.617 1.00 0.00 C ATOM 0 HA PRO A 29 16.043 3.647 2.559 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.116 5.783 4.325 1.00 0.00 H new ATOM 0 HB3 PRO A 29 16.896 5.878 2.758 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.237 6.984 3.622 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.445 7.706 2.578 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.184 6.510 1.604 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.677 6.579 0.690 1.00 0.00 H new ATOM 665 N ARG A 30 13.601 4.470 4.607 1.00 0.00 N ATOM 666 CA ARG A 30 12.841 3.916 5.775 1.00 0.00 C ATOM 667 C ARG A 30 11.944 2.746 5.361 1.00 0.00 C ATOM 668 O ARG A 30 11.450 2.682 4.247 1.00 0.00 O ATOM 669 CB ARG A 30 11.979 5.077 6.288 1.00 0.00 C ATOM 670 CG ARG A 30 12.865 6.097 7.002 1.00 0.00 C ATOM 671 CD ARG A 30 12.374 6.310 8.435 1.00 0.00 C ATOM 672 NE ARG A 30 13.619 6.364 9.246 1.00 0.00 N ATOM 673 CZ ARG A 30 14.240 7.488 9.420 1.00 0.00 C ATOM 674 NH1 ARG A 30 14.901 8.014 8.442 1.00 0.00 N ATOM 675 NH2 ARG A 30 14.194 8.081 10.569 1.00 0.00 N ATOM 0 H ARG A 30 13.315 5.403 4.310 1.00 0.00 H new ATOM 0 HA ARG A 30 13.522 3.531 6.534 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.458 5.552 5.456 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.216 4.703 6.970 1.00 0.00 H new ATOM 0 HG2 ARG A 30 13.898 5.749 7.011 1.00 0.00 H new ATOM 0 HG3 ARG A 30 12.852 7.043 6.461 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.800 7.232 8.526 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.724 5.497 8.758 1.00 0.00 H new ATOM 0 HE ARG A 30 13.987 5.511 9.668 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.933 7.545 7.537 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.391 8.899 8.575 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.669 7.664 11.338 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.683 8.966 10.706 1.00 0.00 H new ATOM 689 N ASP A 31 11.717 1.834 6.268 1.00 0.00 N ATOM 690 CA ASP A 31 10.830 0.674 5.967 1.00 0.00 C ATOM 691 C ASP A 31 9.379 1.169 5.889 1.00 0.00 C ATOM 692 O ASP A 31 9.057 2.255 6.341 1.00 0.00 O ATOM 693 CB ASP A 31 11.012 -0.310 7.134 1.00 0.00 C ATOM 694 CG ASP A 31 12.494 -0.446 7.490 1.00 0.00 C ATOM 695 OD1 ASP A 31 13.230 -1.006 6.697 1.00 0.00 O ATOM 696 OD2 ASP A 31 12.869 0.033 8.551 1.00 0.00 O ATOM 0 H ASP A 31 12.110 1.843 7.209 1.00 0.00 H new ATOM 0 HA ASP A 31 11.072 0.194 5.019 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.453 0.038 8.003 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.605 -1.284 6.863 1.00 0.00 H new ATOM 701 N GLY A 32 8.509 0.398 5.306 1.00 0.00 N ATOM 702 CA GLY A 32 7.089 0.828 5.175 1.00 0.00 C ATOM 703 C GLY A 32 6.791 1.047 3.696 1.00 0.00 C ATOM 704 O GLY A 32 6.341 0.147 3.022 1.00 0.00 O ATOM 0 H GLY A 32 8.720 -0.518 4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.423 0.071 5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.916 1.746 5.737 1.00 0.00 H new ATOM 708 N ALA A 33 7.065 2.230 3.189 1.00 0.00 N ATOM 709 CA ALA A 33 6.828 2.536 1.734 1.00 0.00 C ATOM 710 C ALA A 33 5.381 2.220 1.321 1.00 0.00 C ATOM 711 O ALA A 33 5.018 1.081 1.122 1.00 0.00 O ATOM 712 CB ALA A 33 7.819 1.644 0.977 1.00 0.00 C ATOM 0 H ALA A 33 7.448 3.007 3.728 1.00 0.00 H new ATOM 0 HA ALA A 33 6.975 3.594 1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.710 1.807 -0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.836 1.891 1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.616 0.598 1.207 1.00 0.00 H new ATOM 718 N PHE A 34 4.552 3.223 1.183 1.00 0.00 N ATOM 719 CA PHE A 34 3.128 2.972 0.786 1.00 0.00 C ATOM 720 C PHE A 34 2.715 3.928 -0.337 1.00 0.00 C ATOM 721 O PHE A 34 2.890 5.126 -0.227 1.00 0.00 O ATOM 722 CB PHE A 34 2.294 3.242 2.048 1.00 0.00 C ATOM 723 CG PHE A 34 3.004 2.695 3.265 1.00 0.00 C ATOM 724 CD1 PHE A 34 2.936 1.329 3.561 1.00 0.00 C ATOM 725 CD2 PHE A 34 3.738 3.556 4.090 1.00 0.00 C ATOM 726 CE1 PHE A 34 3.598 0.824 4.683 1.00 0.00 C ATOM 727 CE2 PHE A 34 4.402 3.049 5.212 1.00 0.00 C ATOM 728 CZ PHE A 34 4.331 1.683 5.508 1.00 0.00 C ATOM 0 H PHE A 34 4.796 4.203 1.327 1.00 0.00 H new ATOM 0 HA PHE A 34 2.984 1.957 0.416 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.131 4.314 2.163 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.312 2.779 1.951 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.372 0.665 2.922 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.791 4.610 3.860 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.544 -0.230 4.913 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.969 3.711 5.849 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.843 1.292 6.375 1.00 0.00 H new ATOM 738 N LEU A 35 2.168 3.407 -1.410 1.00 0.00 N ATOM 739 CA LEU A 35 1.741 4.290 -2.545 1.00 0.00 C ATOM 740 C LEU A 35 1.086 3.458 -3.660 1.00 0.00 C ATOM 741 O LEU A 35 1.643 2.477 -4.126 1.00 0.00 O ATOM 742 CB LEU A 35 3.042 4.935 -3.048 1.00 0.00 C ATOM 743 CG LEU A 35 2.749 5.856 -4.235 1.00 0.00 C ATOM 744 CD1 LEU A 35 2.327 7.229 -3.718 1.00 0.00 C ATOM 745 CD2 LEU A 35 4.010 6.006 -5.093 1.00 0.00 C ATOM 0 H LEU A 35 1.999 2.411 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 35 1.004 5.032 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.510 5.503 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.750 4.161 -3.345 1.00 0.00 H new ATOM 0 HG LEU A 35 1.948 5.427 -4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.118 7.887 -4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.431 7.128 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.131 7.654 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.799 6.662 -5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.811 6.435 -4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.318 5.027 -5.462 1.00 0.00 H new ATOM 757 N VAL A 36 -0.087 3.841 -4.100 1.00 0.00 N ATOM 758 CA VAL A 36 -0.762 3.073 -5.195 1.00 0.00 C ATOM 759 C VAL A 36 -0.631 3.830 -6.528 1.00 0.00 C ATOM 760 O VAL A 36 -1.067 4.955 -6.655 1.00 0.00 O ATOM 761 CB VAL A 36 -2.229 2.972 -4.772 1.00 0.00 C ATOM 762 CG1 VAL A 36 -3.025 2.255 -5.867 1.00 0.00 C ATOM 763 CG2 VAL A 36 -2.333 2.178 -3.462 1.00 0.00 C ATOM 0 H VAL A 36 -0.605 4.648 -3.751 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.318 2.088 -5.343 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.633 3.973 -4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.071 2.182 -5.568 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.952 2.818 -6.798 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.619 1.254 -6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.378 2.107 -3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.929 1.177 -3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.765 2.686 -2.682 1.00 0.00 H new ATOM 773 N ARG A 37 -0.029 3.217 -7.516 1.00 0.00 N ATOM 774 CA ARG A 37 0.142 3.893 -8.848 1.00 0.00 C ATOM 775 C ARG A 37 -0.514 3.068 -9.962 1.00 0.00 C ATOM 776 O ARG A 37 -0.839 1.908 -9.779 1.00 0.00 O ATOM 777 CB ARG A 37 1.648 4.044 -9.090 1.00 0.00 C ATOM 778 CG ARG A 37 2.418 2.840 -8.557 1.00 0.00 C ATOM 779 CD ARG A 37 2.951 3.153 -7.151 1.00 0.00 C ATOM 780 NE ARG A 37 2.615 1.959 -6.317 1.00 0.00 N ATOM 781 CZ ARG A 37 3.035 0.787 -6.665 1.00 0.00 C ATOM 782 NH1 ARG A 37 2.368 0.094 -7.522 1.00 0.00 N ATOM 783 NH2 ARG A 37 4.103 0.306 -6.133 1.00 0.00 N ATOM 0 H ARG A 37 0.355 2.273 -7.461 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.342 4.869 -8.850 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.838 4.156 -10.158 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.007 4.952 -8.605 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.769 1.965 -8.525 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.245 2.599 -9.225 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.027 3.327 -7.170 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.489 4.054 -6.749 1.00 0.00 H new ATOM 0 HE ARG A 37 2.054 2.069 -5.472 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.510 0.470 -7.925 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.698 -0.831 -7.798 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.616 0.849 -5.439 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.437 -0.618 -6.406 1.00 0.00 H new ATOM 797 N LYS A 38 -0.739 3.669 -11.108 1.00 0.00 N ATOM 798 CA LYS A 38 -1.410 2.933 -12.223 1.00 0.00 C ATOM 799 C LYS A 38 -0.410 2.052 -12.976 1.00 0.00 C ATOM 800 O LYS A 38 0.569 2.520 -13.525 1.00 0.00 O ATOM 801 CB LYS A 38 -1.978 4.023 -13.142 1.00 0.00 C ATOM 802 CG LYS A 38 -3.344 3.584 -13.688 1.00 0.00 C ATOM 803 CD LYS A 38 -3.160 2.503 -14.765 1.00 0.00 C ATOM 804 CE LYS A 38 -4.172 1.373 -14.532 1.00 0.00 C ATOM 805 NZ LYS A 38 -3.761 0.269 -15.450 1.00 0.00 N ATOM 0 H LYS A 38 -0.487 4.635 -11.317 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.189 2.265 -11.856 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.080 4.958 -12.592 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.290 4.211 -13.966 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.962 3.199 -12.877 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.869 4.442 -14.109 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.301 2.934 -15.756 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.144 2.109 -14.731 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.159 1.044 -13.493 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.187 1.705 -14.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.325 -0.581 -15.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.919 0.560 -16.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.753 0.057 -15.309 1.00 0.00 H new ATOM 819 N ARG A 39 -0.675 0.776 -13.002 1.00 0.00 N ATOM 820 CA ARG A 39 0.214 -0.196 -13.706 1.00 0.00 C ATOM 821 C ARG A 39 -0.245 -0.410 -15.151 1.00 0.00 C ATOM 822 O ARG A 39 -1.349 -0.044 -15.523 1.00 0.00 O ATOM 823 CB ARG A 39 0.087 -1.479 -12.924 1.00 0.00 C ATOM 824 CG ARG A 39 1.334 -1.654 -12.061 1.00 0.00 C ATOM 825 CD ARG A 39 0.925 -1.961 -10.618 1.00 0.00 C ATOM 826 NE ARG A 39 -0.233 -2.920 -10.705 1.00 0.00 N ATOM 827 CZ ARG A 39 -0.290 -3.808 -11.657 1.00 0.00 C ATOM 828 NH1 ARG A 39 0.784 -4.396 -12.076 1.00 0.00 N ATOM 829 NH2 ARG A 39 -1.421 -4.093 -12.202 1.00 0.00 N ATOM 0 H ARG A 39 -1.489 0.355 -12.555 1.00 0.00 H new ATOM 0 HA ARG A 39 1.243 0.161 -13.755 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.805 -1.453 -12.298 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.025 -2.325 -13.602 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.950 -2.463 -12.454 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.940 -0.748 -12.093 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.754 -2.401 -10.064 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.638 -1.050 -10.093 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.980 -2.874 -10.012 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.687 -4.166 -11.660 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.728 -5.090 -12.822 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.271 -3.624 -11.889 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.467 -4.788 -12.947 1.00 0.00 H new ATOM 843 N ASN A 40 0.590 -0.983 -15.974 1.00 0.00 N ATOM 844 CA ASN A 40 0.198 -1.211 -17.405 1.00 0.00 C ATOM 845 C ASN A 40 -0.827 -2.367 -17.567 1.00 0.00 C ATOM 846 O ASN A 40 -1.083 -2.802 -18.675 1.00 0.00 O ATOM 847 CB ASN A 40 1.511 -1.549 -18.125 1.00 0.00 C ATOM 848 CG ASN A 40 1.424 -1.131 -19.596 1.00 0.00 C ATOM 849 OD1 ASN A 40 1.846 -0.050 -19.958 1.00 0.00 O ATOM 850 ND2 ASN A 40 0.886 -1.936 -20.464 1.00 0.00 N ATOM 0 H ASN A 40 1.525 -1.304 -15.724 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.297 -0.331 -17.817 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.343 -1.037 -17.641 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.710 -2.618 -18.053 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.820 -1.659 -21.444 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.530 -2.844 -20.165 1.00 0.00 H new ATOM 857 N GLU A 41 -1.428 -2.860 -16.500 1.00 0.00 N ATOM 858 CA GLU A 41 -2.437 -3.967 -16.655 1.00 0.00 C ATOM 859 C GLU A 41 -3.794 -3.379 -17.116 1.00 0.00 C ATOM 860 O GLU A 41 -3.972 -2.172 -17.133 1.00 0.00 O ATOM 861 CB GLU A 41 -2.536 -4.642 -15.262 1.00 0.00 C ATOM 862 CG GLU A 41 -3.734 -4.098 -14.475 1.00 0.00 C ATOM 863 CD GLU A 41 -3.597 -2.591 -14.255 1.00 0.00 C ATOM 864 OE1 GLU A 41 -2.505 -2.145 -13.967 1.00 0.00 O ATOM 865 OE2 GLU A 41 -4.598 -1.902 -14.383 1.00 0.00 O ATOM 0 H GLU A 41 -1.266 -2.548 -15.542 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.147 -4.697 -17.411 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.634 -5.721 -15.382 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.618 -4.466 -14.702 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.657 -4.309 -15.016 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.805 -4.606 -13.513 1.00 0.00 H new ATOM 872 N PRO A 42 -4.704 -4.250 -17.493 1.00 0.00 N ATOM 873 CA PRO A 42 -6.044 -3.797 -17.967 1.00 0.00 C ATOM 874 C PRO A 42 -6.944 -3.321 -16.807 1.00 0.00 C ATOM 875 O PRO A 42 -7.617 -2.314 -16.915 1.00 0.00 O ATOM 876 CB PRO A 42 -6.625 -5.045 -18.629 1.00 0.00 C ATOM 877 CG PRO A 42 -5.927 -6.200 -17.979 1.00 0.00 C ATOM 878 CD PRO A 42 -4.572 -5.714 -17.526 1.00 0.00 C ATOM 0 HA PRO A 42 -5.975 -2.940 -18.638 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.703 -5.103 -18.480 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.452 -5.036 -19.705 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.505 -6.570 -17.132 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.823 -7.029 -18.680 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.314 -6.112 -16.545 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.787 -6.027 -18.214 1.00 0.00 H new ATOM 886 N ASN A 43 -6.984 -4.047 -15.717 1.00 0.00 N ATOM 887 CA ASN A 43 -7.863 -3.649 -14.566 1.00 0.00 C ATOM 888 C ASN A 43 -7.238 -4.080 -13.237 1.00 0.00 C ATOM 889 O ASN A 43 -7.673 -5.042 -12.634 1.00 0.00 O ATOM 890 CB ASN A 43 -9.144 -4.448 -14.792 1.00 0.00 C ATOM 891 CG ASN A 43 -10.291 -3.844 -13.979 1.00 0.00 C ATOM 892 OD1 ASN A 43 -10.676 -4.379 -12.962 1.00 0.00 O ATOM 893 ND2 ASN A 43 -10.859 -2.749 -14.385 1.00 0.00 N ATOM 0 H ASN A 43 -6.445 -4.901 -15.571 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.019 -2.571 -14.520 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.400 -4.448 -15.852 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.990 -5.487 -14.501 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.626 -2.343 -13.849 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.538 -2.295 -15.240 1.00 0.00 H new ATOM 900 N SER A 44 -6.215 -3.412 -12.774 1.00 0.00 N ATOM 901 CA SER A 44 -5.589 -3.855 -11.492 1.00 0.00 C ATOM 902 C SER A 44 -4.507 -2.890 -11.004 1.00 0.00 C ATOM 903 O SER A 44 -3.387 -2.885 -11.471 1.00 0.00 O ATOM 904 CB SER A 44 -5.051 -5.236 -11.819 1.00 0.00 C ATOM 905 OG SER A 44 -5.418 -6.114 -10.766 1.00 0.00 O ATOM 0 H SER A 44 -5.792 -2.596 -13.216 1.00 0.00 H new ATOM 0 HA SER A 44 -6.296 -3.874 -10.662 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.458 -5.588 -12.767 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.967 -5.206 -11.929 1.00 0.00 H new ATOM 0 HG SER A 44 -6.262 -6.559 -10.990 1.00 0.00 H new ATOM 911 N TYR A 45 -4.869 -2.076 -10.042 1.00 0.00 N ATOM 912 CA TYR A 45 -3.930 -1.064 -9.448 1.00 0.00 C ATOM 913 C TYR A 45 -2.743 -1.744 -8.728 1.00 0.00 C ATOM 914 O TYR A 45 -2.268 -2.783 -9.144 1.00 0.00 O ATOM 915 CB TYR A 45 -4.816 -0.324 -8.433 1.00 0.00 C ATOM 916 CG TYR A 45 -4.713 1.178 -8.576 1.00 0.00 C ATOM 917 CD1 TYR A 45 -3.670 1.778 -9.295 1.00 0.00 C ATOM 918 CD2 TYR A 45 -5.673 1.977 -7.953 1.00 0.00 C ATOM 919 CE1 TYR A 45 -3.601 3.173 -9.388 1.00 0.00 C ATOM 920 CE2 TYR A 45 -5.600 3.365 -8.044 1.00 0.00 C ATOM 921 CZ TYR A 45 -4.563 3.964 -8.765 1.00 0.00 C ATOM 922 OH TYR A 45 -4.486 5.335 -8.861 1.00 0.00 O ATOM 0 H TYR A 45 -5.802 -2.069 -9.631 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.484 -0.414 -10.200 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.853 -0.630 -8.567 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.527 -0.612 -7.422 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.922 1.166 -9.776 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.477 1.517 -7.397 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.800 3.637 -9.944 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.344 3.978 -7.558 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.842 5.623 -9.727 1.00 0.00 H new ATOM 932 N ALA A 46 -2.240 -1.151 -7.666 1.00 0.00 N ATOM 933 CA ALA A 46 -1.079 -1.760 -6.936 1.00 0.00 C ATOM 934 C ALA A 46 -0.840 -1.058 -5.600 1.00 0.00 C ATOM 935 O ALA A 46 -1.402 -0.019 -5.325 1.00 0.00 O ATOM 936 CB ALA A 46 0.096 -1.534 -7.857 1.00 0.00 C ATOM 0 H ALA A 46 -2.583 -0.274 -7.275 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.246 -2.812 -6.706 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.997 -1.948 -7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.090 -2.026 -8.812 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.230 -0.465 -8.020 1.00 0.00 H new ATOM 942 N ILE A 47 -0.014 -1.628 -4.767 1.00 0.00 N ATOM 943 CA ILE A 47 0.264 -1.006 -3.440 1.00 0.00 C ATOM 944 C ILE A 47 1.764 -1.059 -3.117 1.00 0.00 C ATOM 945 O ILE A 47 2.278 -2.080 -2.702 1.00 0.00 O ATOM 946 CB ILE A 47 -0.549 -1.858 -2.456 1.00 0.00 C ATOM 947 CG1 ILE A 47 -2.021 -1.459 -2.542 1.00 0.00 C ATOM 948 CG2 ILE A 47 -0.058 -1.640 -1.025 1.00 0.00 C ATOM 949 CD1 ILE A 47 -2.871 -2.490 -1.805 1.00 0.00 C ATOM 0 H ILE A 47 0.482 -2.500 -4.948 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.009 0.048 -3.400 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.426 -2.909 -2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.167 -0.471 -2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.331 -1.395 -3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.646 -2.252 -0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.992 -1.923 -0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.169 -0.589 -0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.922 -2.206 -1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.733 -3.470 -2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.567 -2.532 -0.759 1.00 0.00 H new ATOM 961 N SER A 48 2.475 0.035 -3.282 1.00 0.00 N ATOM 962 CA SER A 48 3.939 0.018 -2.943 1.00 0.00 C ATOM 963 C SER A 48 4.082 -0.388 -1.475 1.00 0.00 C ATOM 964 O SER A 48 3.397 0.145 -0.623 1.00 0.00 O ATOM 965 CB SER A 48 4.447 1.446 -3.158 1.00 0.00 C ATOM 966 OG SER A 48 5.129 1.517 -4.410 1.00 0.00 O ATOM 0 H SER A 48 2.114 0.923 -3.630 1.00 0.00 H new ATOM 0 HA SER A 48 4.506 -0.683 -3.556 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.613 2.148 -3.144 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.118 1.732 -2.348 1.00 0.00 H new ATOM 0 HG SER A 48 5.035 2.418 -4.783 1.00 0.00 H new ATOM 972 N PHE A 49 4.923 -1.349 -1.180 1.00 0.00 N ATOM 973 CA PHE A 49 5.066 -1.807 0.238 1.00 0.00 C ATOM 974 C PHE A 49 6.488 -2.293 0.543 1.00 0.00 C ATOM 975 O PHE A 49 7.007 -3.168 -0.119 1.00 0.00 O ATOM 976 CB PHE A 49 4.062 -2.955 0.364 1.00 0.00 C ATOM 977 CG PHE A 49 3.172 -2.722 1.557 1.00 0.00 C ATOM 978 CD1 PHE A 49 2.111 -1.810 1.477 1.00 0.00 C ATOM 979 CD2 PHE A 49 3.408 -3.418 2.744 1.00 0.00 C ATOM 980 CE1 PHE A 49 1.287 -1.598 2.587 1.00 0.00 C ATOM 981 CE2 PHE A 49 2.583 -3.205 3.854 1.00 0.00 C ATOM 982 CZ PHE A 49 1.523 -2.295 3.776 1.00 0.00 C ATOM 0 H PHE A 49 5.514 -1.834 -1.855 1.00 0.00 H new ATOM 0 HA PHE A 49 4.879 -0.999 0.945 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.461 -3.026 -0.542 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.590 -3.903 0.471 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.930 -1.271 0.559 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.226 -4.120 2.805 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.469 -0.896 2.526 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.765 -3.744 4.772 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.887 -2.131 4.634 1.00 0.00 H new ATOM 992 N ARG A 50 7.110 -1.754 1.558 1.00 0.00 N ATOM 993 CA ARG A 50 8.487 -2.209 1.917 1.00 0.00 C ATOM 994 C ARG A 50 8.524 -2.657 3.383 1.00 0.00 C ATOM 995 O ARG A 50 8.386 -1.859 4.288 1.00 0.00 O ATOM 996 CB ARG A 50 9.370 -0.975 1.712 1.00 0.00 C ATOM 997 CG ARG A 50 10.810 -1.301 2.118 1.00 0.00 C ATOM 998 CD ARG A 50 11.767 -0.382 1.360 1.00 0.00 C ATOM 999 NE ARG A 50 13.125 -0.744 1.859 1.00 0.00 N ATOM 1000 CZ ARG A 50 13.584 -0.200 2.942 1.00 0.00 C ATOM 1001 NH1 ARG A 50 14.078 0.988 2.898 1.00 0.00 N ATOM 1002 NH2 ARG A 50 13.540 -0.851 4.059 1.00 0.00 N ATOM 0 H ARG A 50 6.726 -1.020 2.153 1.00 0.00 H new ATOM 0 HA ARG A 50 8.819 -3.055 1.315 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.338 -0.661 0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.993 -0.143 2.307 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.936 -1.170 3.193 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.036 -2.344 1.896 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.689 -0.532 0.283 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.542 0.667 1.552 1.00 0.00 H new ATOM 0 HE ARG A 50 13.693 -1.420 1.348 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.107 1.496 2.014 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.441 1.421 3.747 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.145 -1.791 4.086 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.901 -0.424 4.912 1.00 0.00 H new ATOM 1016 N ALA A 51 8.731 -3.919 3.631 1.00 0.00 N ATOM 1017 CA ALA A 51 8.786 -4.392 5.046 1.00 0.00 C ATOM 1018 C ALA A 51 10.225 -4.763 5.421 1.00 0.00 C ATOM 1019 O ALA A 51 11.089 -4.882 4.567 1.00 0.00 O ATOM 1020 CB ALA A 51 7.860 -5.610 5.102 1.00 0.00 C ATOM 0 H ALA A 51 8.864 -4.641 2.923 1.00 0.00 H new ATOM 0 HA ALA A 51 8.470 -3.626 5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.850 -6.013 6.115 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.850 -5.313 4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.220 -6.373 4.412 1.00 0.00 H new ATOM 1026 N GLU A 52 10.495 -4.931 6.688 1.00 0.00 N ATOM 1027 CA GLU A 52 11.885 -5.278 7.117 1.00 0.00 C ATOM 1028 C GLU A 52 12.314 -6.605 6.471 1.00 0.00 C ATOM 1029 O GLU A 52 11.847 -7.672 6.825 1.00 0.00 O ATOM 1030 CB GLU A 52 11.833 -5.392 8.650 1.00 0.00 C ATOM 1031 CG GLU A 52 10.679 -6.314 9.081 1.00 0.00 C ATOM 1032 CD GLU A 52 10.796 -6.652 10.566 1.00 0.00 C ATOM 1033 OE1 GLU A 52 11.907 -6.881 11.027 1.00 0.00 O ATOM 1034 OE2 GLU A 52 9.767 -6.674 11.225 1.00 0.00 O ATOM 0 H GLU A 52 9.816 -4.844 7.444 1.00 0.00 H new ATOM 0 HA GLU A 52 12.613 -4.527 6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.779 -5.784 9.024 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.701 -4.404 9.090 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.723 -5.827 8.886 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.696 -7.230 8.490 1.00 0.00 H new ATOM 1041 N GLY A 53 13.184 -6.530 5.497 1.00 0.00 N ATOM 1042 CA GLY A 53 13.640 -7.765 4.792 1.00 0.00 C ATOM 1043 C GLY A 53 12.493 -8.348 3.949 1.00 0.00 C ATOM 1044 O GLY A 53 12.421 -9.544 3.747 1.00 0.00 O ATOM 0 H GLY A 53 13.600 -5.662 5.158 1.00 0.00 H new ATOM 0 HA2 GLY A 53 14.491 -7.534 4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 53 13.979 -8.503 5.519 1.00 0.00 H new ATOM 1048 N LYS A 54 11.596 -7.523 3.449 1.00 0.00 N ATOM 1049 CA LYS A 54 10.470 -8.066 2.622 1.00 0.00 C ATOM 1050 C LYS A 54 9.844 -6.983 1.725 1.00 0.00 C ATOM 1051 O LYS A 54 9.163 -6.083 2.188 1.00 0.00 O ATOM 1052 CB LYS A 54 9.442 -8.585 3.636 1.00 0.00 C ATOM 1053 CG LYS A 54 8.269 -9.245 2.899 1.00 0.00 C ATOM 1054 CD LYS A 54 6.982 -8.460 3.170 1.00 0.00 C ATOM 1055 CE LYS A 54 6.141 -9.196 4.216 1.00 0.00 C ATOM 1056 NZ LYS A 54 4.833 -8.484 4.225 1.00 0.00 N ATOM 0 H LYS A 54 11.596 -6.511 3.577 1.00 0.00 H new ATOM 0 HA LYS A 54 10.819 -8.847 1.946 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.912 -9.304 4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.079 -7.763 4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.470 -9.274 1.828 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.153 -10.277 3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.223 -7.457 3.523 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.413 -8.345 2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.017 -10.247 3.955 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.615 -9.165 5.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.200 -8.930 4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.982 -7.488 4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.403 -8.536 3.280 1.00 0.00 H new ATOM 1070 N ILE A 55 10.047 -7.093 0.438 1.00 0.00 N ATOM 1071 CA ILE A 55 9.441 -6.111 -0.514 1.00 0.00 C ATOM 1072 C ILE A 55 8.653 -6.881 -1.585 1.00 0.00 C ATOM 1073 O ILE A 55 9.216 -7.635 -2.360 1.00 0.00 O ATOM 1074 CB ILE A 55 10.630 -5.353 -1.132 1.00 0.00 C ATOM 1075 CG1 ILE A 55 10.964 -4.129 -0.263 1.00 0.00 C ATOM 1076 CG2 ILE A 55 10.285 -4.894 -2.558 1.00 0.00 C ATOM 1077 CD1 ILE A 55 10.158 -2.910 -0.726 1.00 0.00 C ATOM 0 H ILE A 55 10.609 -7.824 0.002 1.00 0.00 H new ATOM 0 HA ILE A 55 8.750 -5.419 -0.033 1.00 0.00 H new ATOM 0 HB ILE A 55 11.492 -6.019 -1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.741 -4.345 0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.031 -3.912 -0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.134 -4.359 -2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.057 -5.763 -3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.418 -4.233 -2.528 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.405 -2.052 -0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.402 -2.685 -1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.093 -3.125 -0.642 1.00 0.00 H new ATOM 1089 N LYS A 56 7.358 -6.694 -1.632 1.00 0.00 N ATOM 1090 CA LYS A 56 6.523 -7.407 -2.648 1.00 0.00 C ATOM 1091 C LYS A 56 5.132 -6.759 -2.732 1.00 0.00 C ATOM 1092 O LYS A 56 4.547 -6.377 -1.734 1.00 0.00 O ATOM 1093 CB LYS A 56 6.458 -8.876 -2.174 1.00 0.00 C ATOM 1094 CG LYS A 56 5.124 -9.185 -1.475 1.00 0.00 C ATOM 1095 CD LYS A 56 4.100 -9.701 -2.499 1.00 0.00 C ATOM 1096 CE LYS A 56 2.809 -8.869 -2.427 1.00 0.00 C ATOM 1097 NZ LYS A 56 1.833 -9.717 -1.679 1.00 0.00 N ATOM 0 H LYS A 56 6.840 -6.075 -1.008 1.00 0.00 H new ATOM 0 HA LYS A 56 6.943 -7.350 -3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.585 -9.541 -3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.283 -9.075 -1.490 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.277 -9.930 -0.695 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.743 -8.287 -0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.520 -9.647 -3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.876 -10.750 -2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.980 -7.922 -1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.439 -8.630 -3.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.082 -9.116 -1.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.413 -10.416 -2.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.323 -10.211 -0.906 1.00 0.00 H new ATOM 1111 N HIS A 57 4.609 -6.616 -3.918 1.00 0.00 N ATOM 1112 CA HIS A 57 3.263 -5.978 -4.086 1.00 0.00 C ATOM 1113 C HIS A 57 2.600 -6.525 -5.348 1.00 0.00 C ATOM 1114 O HIS A 57 3.226 -7.194 -6.147 1.00 0.00 O ATOM 1115 CB HIS A 57 3.498 -4.453 -4.182 1.00 0.00 C ATOM 1116 CG HIS A 57 4.958 -4.104 -3.990 1.00 0.00 C ATOM 1117 ND1 HIS A 57 5.527 -3.974 -2.733 1.00 0.00 N ATOM 1118 CD2 HIS A 57 5.974 -3.874 -4.882 1.00 0.00 C ATOM 1119 CE1 HIS A 57 6.829 -3.676 -2.905 1.00 0.00 C ATOM 1120 NE2 HIS A 57 7.152 -3.603 -4.195 1.00 0.00 N ATOM 0 H HIS A 57 5.055 -6.914 -4.786 1.00 0.00 H new ATOM 0 HA HIS A 57 2.599 -6.196 -3.249 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.161 -4.092 -5.154 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.899 -3.943 -3.428 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.874 -3.900 -5.957 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.526 -3.516 -2.096 1.00 0.00 H new ATOM 0 HE2 HIS A 57 8.067 -3.393 -4.593 1.00 0.00 H new ATOM 1128 N CYS A 58 1.338 -6.270 -5.521 1.00 0.00 N ATOM 1129 CA CYS A 58 0.632 -6.801 -6.719 1.00 0.00 C ATOM 1130 C CYS A 58 -0.584 -5.929 -7.076 1.00 0.00 C ATOM 1131 O CYS A 58 -0.714 -4.811 -6.616 1.00 0.00 O ATOM 1132 CB CYS A 58 0.234 -8.223 -6.344 1.00 0.00 C ATOM 1133 SG CYS A 58 1.399 -9.398 -7.083 1.00 0.00 S ATOM 0 H CYS A 58 0.762 -5.717 -4.886 1.00 0.00 H new ATOM 0 HA CYS A 58 1.260 -6.790 -7.610 1.00 0.00 H new ATOM 0 HB2 CYS A 58 0.228 -8.335 -5.260 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.778 -8.432 -6.692 1.00 0.00 H new ATOM 0 HG CYS A 58 2.609 -8.933 -6.980 1.00 0.00 H new ATOM 1139 N ARG A 59 -1.429 -6.401 -7.952 1.00 0.00 N ATOM 1140 CA ARG A 59 -2.586 -5.570 -8.412 1.00 0.00 C ATOM 1141 C ARG A 59 -3.916 -5.871 -7.707 1.00 0.00 C ATOM 1142 O ARG A 59 -4.226 -6.988 -7.356 1.00 0.00 O ATOM 1143 CB ARG A 59 -2.700 -5.893 -9.905 1.00 0.00 C ATOM 1144 CG ARG A 59 -3.091 -7.370 -10.090 1.00 0.00 C ATOM 1145 CD ARG A 59 -3.204 -7.712 -11.579 1.00 0.00 C ATOM 1146 NE ARG A 59 -4.471 -8.501 -11.687 1.00 0.00 N ATOM 1147 CZ ARG A 59 -4.492 -9.752 -11.353 1.00 0.00 C ATOM 1148 NH1 ARG A 59 -3.986 -10.644 -12.140 1.00 0.00 N ATOM 1149 NH2 ARG A 59 -5.012 -10.108 -10.226 1.00 0.00 N ATOM 0 H ARG A 59 -1.370 -7.329 -8.372 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.403 -4.520 -8.185 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.446 -5.249 -10.370 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.751 -5.693 -10.403 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.346 -8.011 -9.619 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.041 -7.566 -9.593 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.244 -6.811 -12.191 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.346 -8.291 -11.920 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.322 -8.051 -12.025 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.568 -10.363 -13.027 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.004 -11.628 -11.874 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.405 -9.404 -9.601 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.030 -11.093 -9.961 1.00 0.00 H new ATOM 1163 N VAL A 60 -4.726 -4.850 -7.569 1.00 0.00 N ATOM 1164 CA VAL A 60 -6.086 -5.009 -6.961 1.00 0.00 C ATOM 1165 C VAL A 60 -7.126 -4.706 -8.049 1.00 0.00 C ATOM 1166 O VAL A 60 -6.917 -3.841 -8.881 1.00 0.00 O ATOM 1167 CB VAL A 60 -6.169 -3.993 -5.802 1.00 0.00 C ATOM 1168 CG1 VAL A 60 -5.933 -2.571 -6.314 1.00 0.00 C ATOM 1169 CG2 VAL A 60 -7.559 -4.047 -5.154 1.00 0.00 C ATOM 0 H VAL A 60 -4.499 -3.898 -7.856 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.271 -6.014 -6.581 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.402 -4.253 -5.073 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.996 -1.870 -5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.944 -2.507 -6.769 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.691 -2.321 -7.057 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.608 -3.327 -4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.317 -3.804 -5.898 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.741 -5.049 -4.765 1.00 0.00 H new ATOM 1179 N GLN A 61 -8.236 -5.393 -8.061 1.00 0.00 N ATOM 1180 CA GLN A 61 -9.257 -5.124 -9.118 1.00 0.00 C ATOM 1181 C GLN A 61 -10.192 -4.013 -8.642 1.00 0.00 C ATOM 1182 O GLN A 61 -10.921 -4.170 -7.684 1.00 0.00 O ATOM 1183 CB GLN A 61 -10.012 -6.449 -9.313 1.00 0.00 C ATOM 1184 CG GLN A 61 -9.023 -7.592 -9.612 1.00 0.00 C ATOM 1185 CD GLN A 61 -8.525 -7.508 -11.059 1.00 0.00 C ATOM 1186 OE1 GLN A 61 -7.337 -7.429 -11.302 1.00 0.00 O ATOM 1187 NE2 GLN A 61 -9.381 -7.529 -12.037 1.00 0.00 N ATOM 0 H GLN A 61 -8.480 -6.123 -7.392 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.815 -4.792 -10.058 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -10.587 -6.682 -8.417 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -10.724 -6.352 -10.133 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.177 -7.537 -8.927 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.508 -8.554 -9.444 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.379 -7.595 -11.839 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.054 -7.479 -13.002 1.00 0.00 H new ATOM 1196 N GLN A 62 -10.151 -2.878 -9.284 1.00 0.00 N ATOM 1197 CA GLN A 62 -11.017 -1.744 -8.847 1.00 0.00 C ATOM 1198 C GLN A 62 -12.289 -1.639 -9.701 1.00 0.00 C ATOM 1199 O GLN A 62 -12.242 -1.434 -10.899 1.00 0.00 O ATOM 1200 CB GLN A 62 -10.134 -0.493 -8.993 1.00 0.00 C ATOM 1201 CG GLN A 62 -9.895 -0.174 -10.476 1.00 0.00 C ATOM 1202 CD GLN A 62 -8.419 0.164 -10.704 1.00 0.00 C ATOM 1203 OE1 GLN A 62 -7.675 -0.636 -11.233 1.00 0.00 O ATOM 1204 NE2 GLN A 62 -7.960 1.319 -10.320 1.00 0.00 N ATOM 0 H GLN A 62 -9.557 -2.686 -10.091 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.370 -1.876 -7.824 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.612 0.356 -8.505 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.180 -0.653 -8.491 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.181 -1.027 -11.091 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.521 0.664 -10.782 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.583 1.993 -9.875 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.977 1.551 -10.464 1.00 0.00 H new ATOM 1213 N GLU A 63 -13.426 -1.756 -9.075 1.00 0.00 N ATOM 1214 CA GLU A 63 -14.712 -1.635 -9.816 1.00 0.00 C ATOM 1215 C GLU A 63 -15.366 -0.315 -9.406 1.00 0.00 C ATOM 1216 O GLU A 63 -15.343 0.044 -8.239 1.00 0.00 O ATOM 1217 CB GLU A 63 -15.548 -2.830 -9.339 1.00 0.00 C ATOM 1218 CG GLU A 63 -16.508 -3.301 -10.438 1.00 0.00 C ATOM 1219 CD GLU A 63 -17.232 -2.106 -11.056 1.00 0.00 C ATOM 1220 OE1 GLU A 63 -18.219 -1.681 -10.483 1.00 0.00 O ATOM 1221 OE2 GLU A 63 -16.781 -1.631 -12.087 1.00 0.00 O ATOM 0 H GLU A 63 -13.520 -1.932 -8.075 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.602 -1.638 -10.900 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.888 -3.649 -9.052 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.115 -2.551 -8.451 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.955 -3.838 -11.208 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -17.234 -3.999 -10.022 1.00 0.00 H new ATOM 1228 N GLY A 64 -15.945 0.422 -10.325 1.00 0.00 N ATOM 1229 CA GLY A 64 -16.586 1.708 -9.914 1.00 0.00 C ATOM 1230 C GLY A 64 -17.804 1.377 -9.057 1.00 0.00 C ATOM 1231 O GLY A 64 -18.912 1.331 -9.547 1.00 0.00 O ATOM 0 H GLY A 64 -16.001 0.195 -11.318 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -15.882 2.322 -9.353 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -16.883 2.283 -10.791 1.00 0.00 H new ATOM 1235 N GLN A 65 -17.564 1.146 -7.780 1.00 0.00 N ATOM 1236 CA GLN A 65 -18.622 0.784 -6.780 1.00 0.00 C ATOM 1237 C GLN A 65 -18.033 -0.272 -5.831 1.00 0.00 C ATOM 1238 O GLN A 65 -18.431 -0.370 -4.684 1.00 0.00 O ATOM 1239 CB GLN A 65 -19.824 0.198 -7.550 1.00 0.00 C ATOM 1240 CG GLN A 65 -20.814 -0.468 -6.580 1.00 0.00 C ATOM 1241 CD GLN A 65 -21.317 -1.779 -7.185 1.00 0.00 C ATOM 1242 OE1 GLN A 65 -22.284 -1.793 -7.914 1.00 0.00 O ATOM 1243 NE2 GLN A 65 -20.702 -2.892 -6.910 1.00 0.00 N ATOM 0 H GLN A 65 -16.629 1.198 -7.376 1.00 0.00 H new ATOM 0 HA GLN A 65 -18.947 1.651 -6.204 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -20.327 0.989 -8.106 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -19.474 -0.532 -8.280 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -20.329 -0.659 -5.623 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -21.653 0.200 -6.384 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -19.887 -2.886 -6.297 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -21.035 -3.770 -7.308 1.00 0.00 H new ATOM 1252 N THR A 66 -17.082 -1.074 -6.294 1.00 0.00 N ATOM 1253 CA THR A 66 -16.496 -2.119 -5.388 1.00 0.00 C ATOM 1254 C THR A 66 -15.103 -2.607 -5.851 1.00 0.00 C ATOM 1255 O THR A 66 -14.984 -3.377 -6.781 1.00 0.00 O ATOM 1256 CB THR A 66 -17.495 -3.292 -5.430 1.00 0.00 C ATOM 1257 OG1 THR A 66 -18.824 -2.821 -5.227 1.00 0.00 O ATOM 1258 CG2 THR A 66 -17.159 -4.301 -4.333 1.00 0.00 C ATOM 0 H THR A 66 -16.699 -1.046 -7.239 1.00 0.00 H new ATOM 0 HA THR A 66 -16.348 -1.710 -4.389 1.00 0.00 H new ATOM 0 HB THR A 66 -17.423 -3.767 -6.408 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.804 -2.016 -4.668 1.00 0.00 H new ATOM 0 HG21 THR A 66 -17.869 -5.127 -4.369 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.150 -4.683 -4.487 1.00 0.00 H new ATOM 0 HG23 THR A 66 -17.218 -3.814 -3.360 1.00 0.00 H new ATOM 1266 N VAL A 67 -14.050 -2.193 -5.181 1.00 0.00 N ATOM 1267 CA VAL A 67 -12.663 -2.661 -5.552 1.00 0.00 C ATOM 1268 C VAL A 67 -12.319 -3.955 -4.794 1.00 0.00 C ATOM 1269 O VAL A 67 -12.762 -4.175 -3.681 1.00 0.00 O ATOM 1270 CB VAL A 67 -11.705 -1.541 -5.112 1.00 0.00 C ATOM 1271 CG1 VAL A 67 -10.276 -1.848 -5.582 1.00 0.00 C ATOM 1272 CG2 VAL A 67 -12.152 -0.201 -5.705 1.00 0.00 C ATOM 0 H VAL A 67 -14.087 -1.549 -4.390 1.00 0.00 H new ATOM 0 HA VAL A 67 -12.588 -2.866 -6.620 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.723 -1.482 -4.024 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.608 -1.047 -5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.945 -2.791 -5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.259 -1.924 -6.669 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.467 0.584 -5.387 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.150 -0.266 -6.793 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -13.158 0.033 -5.358 1.00 0.00 H new ATOM 1282 N MET A 68 -11.528 -4.809 -5.391 1.00 0.00 N ATOM 1283 CA MET A 68 -11.150 -6.085 -4.711 1.00 0.00 C ATOM 1284 C MET A 68 -9.827 -6.643 -5.253 1.00 0.00 C ATOM 1285 O MET A 68 -9.684 -6.888 -6.435 1.00 0.00 O ATOM 1286 CB MET A 68 -12.297 -7.048 -5.042 1.00 0.00 C ATOM 1287 CG MET A 68 -11.896 -8.497 -4.732 1.00 0.00 C ATOM 1288 SD MET A 68 -11.948 -9.472 -6.259 1.00 0.00 S ATOM 1289 CE MET A 68 -13.696 -9.941 -6.181 1.00 0.00 C ATOM 0 H MET A 68 -11.127 -4.678 -6.320 1.00 0.00 H new ATOM 0 HA MET A 68 -11.005 -5.941 -3.640 1.00 0.00 H new ATOM 0 HB2 MET A 68 -13.182 -6.779 -4.465 1.00 0.00 H new ATOM 0 HB3 MET A 68 -12.563 -6.956 -6.095 1.00 0.00 H new ATOM 0 HG2 MET A 68 -10.895 -8.525 -4.303 1.00 0.00 H new ATOM 0 HG3 MET A 68 -12.573 -8.923 -3.991 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.946 -10.558 -7.044 1.00 0.00 H new ATOM 0 HE2 MET A 68 -13.881 -10.505 -5.267 1.00 0.00 H new ATOM 0 HE3 MET A 68 -14.314 -9.043 -6.185 1.00 0.00 H new ATOM 1299 N LEU A 69 -8.872 -6.882 -4.396 1.00 0.00 N ATOM 1300 CA LEU A 69 -7.585 -7.481 -4.879 1.00 0.00 C ATOM 1301 C LEU A 69 -7.751 -9.010 -5.019 1.00 0.00 C ATOM 1302 O LEU A 69 -8.856 -9.518 -4.980 1.00 0.00 O ATOM 1303 CB LEU A 69 -6.478 -7.090 -3.882 1.00 0.00 C ATOM 1304 CG LEU A 69 -6.925 -7.245 -2.428 1.00 0.00 C ATOM 1305 CD1 LEU A 69 -7.714 -8.537 -2.262 1.00 0.00 C ATOM 1306 CD2 LEU A 69 -5.687 -7.285 -1.533 1.00 0.00 C ATOM 0 H LEU A 69 -8.921 -6.693 -3.395 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.308 -7.104 -5.863 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.599 -7.710 -4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.180 -6.057 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.560 -6.404 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.029 -8.640 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.592 -8.512 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.086 -9.385 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.993 -7.395 -0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.059 -8.129 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.124 -6.359 -1.649 1.00 0.00 H new ATOM 1318 N GLY A 70 -6.698 -9.751 -5.253 1.00 0.00 N ATOM 1319 CA GLY A 70 -6.883 -11.223 -5.470 1.00 0.00 C ATOM 1320 C GLY A 70 -6.863 -12.016 -4.155 1.00 0.00 C ATOM 1321 O GLY A 70 -5.842 -12.529 -3.745 1.00 0.00 O ATOM 0 H GLY A 70 -5.737 -9.413 -5.303 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.830 -11.396 -5.981 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.095 -11.593 -6.126 1.00 0.00 H new ATOM 1325 N ASN A 71 -8.025 -12.151 -3.544 1.00 0.00 N ATOM 1326 CA ASN A 71 -8.208 -12.947 -2.269 1.00 0.00 C ATOM 1327 C ASN A 71 -9.492 -12.496 -1.541 1.00 0.00 C ATOM 1328 O ASN A 71 -10.162 -13.293 -0.915 1.00 0.00 O ATOM 1329 CB ASN A 71 -6.965 -12.760 -1.371 1.00 0.00 C ATOM 1330 CG ASN A 71 -6.674 -11.286 -1.113 1.00 0.00 C ATOM 1331 OD1 ASN A 71 -7.375 -10.636 -0.371 1.00 0.00 O ATOM 1332 ND2 ASN A 71 -5.645 -10.732 -1.684 1.00 0.00 N ATOM 0 H ASN A 71 -8.887 -11.727 -3.888 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.313 -14.006 -2.507 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -7.121 -13.272 -0.421 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.100 -13.224 -1.845 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.430 -9.751 -1.506 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.053 -11.279 -2.310 1.00 0.00 H new ATOM 1339 N SER A 72 -9.847 -11.229 -1.631 1.00 0.00 N ATOM 1340 CA SER A 72 -11.096 -10.736 -0.955 1.00 0.00 C ATOM 1341 C SER A 72 -11.460 -9.322 -1.437 1.00 0.00 C ATOM 1342 O SER A 72 -10.640 -8.614 -1.988 1.00 0.00 O ATOM 1343 CB SER A 72 -10.765 -10.709 0.535 1.00 0.00 C ATOM 1344 OG SER A 72 -11.974 -10.598 1.277 1.00 0.00 O ATOM 0 H SER A 72 -9.325 -10.517 -2.143 1.00 0.00 H new ATOM 0 HA SER A 72 -11.949 -11.377 -1.179 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.231 -11.616 0.818 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.107 -9.869 0.759 1.00 0.00 H new ATOM 0 HG SER A 72 -11.769 -10.582 2.235 1.00 0.00 H new ATOM 1350 N GLU A 73 -12.682 -8.905 -1.223 1.00 0.00 N ATOM 1351 CA GLU A 73 -13.101 -7.534 -1.659 1.00 0.00 C ATOM 1352 C GLU A 73 -12.741 -6.512 -0.575 1.00 0.00 C ATOM 1353 O GLU A 73 -12.612 -6.850 0.587 1.00 0.00 O ATOM 1354 CB GLU A 73 -14.621 -7.615 -1.848 1.00 0.00 C ATOM 1355 CG GLU A 73 -14.954 -7.621 -3.343 1.00 0.00 C ATOM 1356 CD GLU A 73 -16.358 -8.183 -3.561 1.00 0.00 C ATOM 1357 OE1 GLU A 73 -16.494 -9.393 -3.567 1.00 0.00 O ATOM 1358 OE2 GLU A 73 -17.272 -7.392 -3.723 1.00 0.00 O ATOM 0 H GLU A 73 -13.410 -9.454 -0.765 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.602 -7.219 -2.575 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.009 -8.517 -1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.104 -6.768 -1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.892 -6.609 -3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.224 -8.222 -3.885 1.00 0.00 H new ATOM 1365 N PHE A 74 -12.562 -5.270 -0.943 1.00 0.00 N ATOM 1366 CA PHE A 74 -12.187 -4.240 0.076 1.00 0.00 C ATOM 1367 C PHE A 74 -12.805 -2.881 -0.265 1.00 0.00 C ATOM 1368 O PHE A 74 -13.167 -2.625 -1.399 1.00 0.00 O ATOM 1369 CB PHE A 74 -10.659 -4.158 -0.023 1.00 0.00 C ATOM 1370 CG PHE A 74 -10.027 -4.989 1.063 1.00 0.00 C ATOM 1371 CD1 PHE A 74 -9.860 -6.368 0.890 1.00 0.00 C ATOM 1372 CD2 PHE A 74 -9.610 -4.377 2.242 1.00 0.00 C ATOM 1373 CE1 PHE A 74 -9.275 -7.133 1.905 1.00 0.00 C ATOM 1374 CE2 PHE A 74 -9.025 -5.139 3.259 1.00 0.00 C ATOM 1375 CZ PHE A 74 -8.857 -6.516 3.089 1.00 0.00 C ATOM 0 H PHE A 74 -12.658 -4.924 -1.898 1.00 0.00 H new ATOM 0 HA PHE A 74 -12.540 -4.500 1.074 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.330 -4.511 -1.000 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.336 -3.121 0.067 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.182 -6.841 -0.026 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.738 -3.313 2.372 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.146 -8.197 1.775 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.704 -4.664 4.174 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.404 -7.105 3.873 1.00 0.00 H new ATOM 1385 N ASP A 75 -12.898 -1.988 0.687 1.00 0.00 N ATOM 1386 CA ASP A 75 -13.455 -0.648 0.353 1.00 0.00 C ATOM 1387 C ASP A 75 -12.322 0.175 -0.270 1.00 0.00 C ATOM 1388 O ASP A 75 -11.426 0.658 0.395 1.00 0.00 O ATOM 1389 CB ASP A 75 -13.921 -0.051 1.690 1.00 0.00 C ATOM 1390 CG ASP A 75 -14.716 1.246 1.457 1.00 0.00 C ATOM 1391 OD1 ASP A 75 -14.832 1.669 0.314 1.00 0.00 O ATOM 1392 OD2 ASP A 75 -15.194 1.797 2.434 1.00 0.00 O ATOM 0 H ASP A 75 -12.619 -2.125 1.658 1.00 0.00 H new ATOM 0 HA ASP A 75 -14.286 -0.674 -0.352 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -14.541 -0.774 2.220 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -13.058 0.154 2.323 1.00 0.00 H new ATOM 1397 N SER A 76 -12.358 0.307 -1.561 1.00 0.00 N ATOM 1398 CA SER A 76 -11.285 1.048 -2.289 1.00 0.00 C ATOM 1399 C SER A 76 -9.922 0.435 -1.920 1.00 0.00 C ATOM 1400 O SER A 76 -9.845 -0.624 -1.320 1.00 0.00 O ATOM 1401 CB SER A 76 -11.399 2.500 -1.807 1.00 0.00 C ATOM 1402 OG SER A 76 -10.238 3.226 -2.203 1.00 0.00 O ATOM 0 H SER A 76 -13.095 -0.071 -2.157 1.00 0.00 H new ATOM 0 HA SER A 76 -11.381 0.994 -3.373 1.00 0.00 H new ATOM 0 HB2 SER A 76 -12.292 2.964 -2.226 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.505 2.527 -0.723 1.00 0.00 H new ATOM 0 HG SER A 76 -10.336 4.166 -1.944 1.00 0.00 H new ATOM 1408 N LEU A 77 -8.851 1.094 -2.236 1.00 0.00 N ATOM 1409 CA LEU A 77 -7.516 0.556 -1.851 1.00 0.00 C ATOM 1410 C LEU A 77 -7.206 1.029 -0.425 1.00 0.00 C ATOM 1411 O LEU A 77 -6.519 0.368 0.335 1.00 0.00 O ATOM 1412 CB LEU A 77 -6.536 1.149 -2.861 1.00 0.00 C ATOM 1413 CG LEU A 77 -6.193 0.094 -3.915 1.00 0.00 C ATOM 1414 CD1 LEU A 77 -6.263 0.725 -5.308 1.00 0.00 C ATOM 1415 CD2 LEU A 77 -4.781 -0.439 -3.666 1.00 0.00 C ATOM 0 H LEU A 77 -8.836 1.979 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.462 -0.533 -1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.974 2.026 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.630 1.481 -2.354 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.906 -0.728 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.019 -0.025 -6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.270 1.103 -5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.550 1.547 -5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.538 -1.190 -4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.066 0.381 -3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.731 -0.888 -2.674 1.00 0.00 H new ATOM 1427 N VAL A 78 -7.744 2.168 -0.056 1.00 0.00 N ATOM 1428 CA VAL A 78 -7.526 2.708 1.317 1.00 0.00 C ATOM 1429 C VAL A 78 -7.988 1.713 2.385 1.00 0.00 C ATOM 1430 O VAL A 78 -7.520 1.763 3.493 1.00 0.00 O ATOM 1431 CB VAL A 78 -8.363 3.989 1.390 1.00 0.00 C ATOM 1432 CG1 VAL A 78 -9.856 3.647 1.271 1.00 0.00 C ATOM 1433 CG2 VAL A 78 -8.109 4.686 2.731 1.00 0.00 C ATOM 0 H VAL A 78 -8.330 2.749 -0.656 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.468 2.895 1.504 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.079 4.649 0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.444 4.563 1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.041 3.151 0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.143 2.984 2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.704 5.598 2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.391 4.020 3.546 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.052 4.937 2.816 1.00 0.00 H new ATOM 1443 N ASP A 79 -8.905 0.825 2.075 1.00 0.00 N ATOM 1444 CA ASP A 79 -9.380 -0.144 3.106 1.00 0.00 C ATOM 1445 C ASP A 79 -8.284 -1.165 3.458 1.00 0.00 C ATOM 1446 O ASP A 79 -7.839 -1.234 4.589 1.00 0.00 O ATOM 1447 CB ASP A 79 -10.599 -0.822 2.499 1.00 0.00 C ATOM 1448 CG ASP A 79 -11.267 -1.727 3.539 1.00 0.00 C ATOM 1449 OD1 ASP A 79 -11.062 -1.508 4.724 1.00 0.00 O ATOM 1450 OD2 ASP A 79 -11.980 -2.625 3.128 1.00 0.00 O ATOM 0 H ASP A 79 -9.340 0.732 1.157 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.629 0.356 4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.307 -0.071 2.150 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.304 -1.409 1.630 1.00 0.00 H new ATOM 1455 N LEU A 80 -7.825 -1.940 2.504 1.00 0.00 N ATOM 1456 CA LEU A 80 -6.734 -2.930 2.823 1.00 0.00 C ATOM 1457 C LEU A 80 -5.486 -2.155 3.257 1.00 0.00 C ATOM 1458 O LEU A 80 -4.826 -2.506 4.227 1.00 0.00 O ATOM 1459 CB LEU A 80 -6.446 -3.844 1.593 1.00 0.00 C ATOM 1460 CG LEU A 80 -6.929 -3.272 0.251 1.00 0.00 C ATOM 1461 CD1 LEU A 80 -5.861 -2.361 -0.341 1.00 0.00 C ATOM 1462 CD2 LEU A 80 -7.183 -4.425 -0.721 1.00 0.00 C ATOM 0 H LEU A 80 -8.147 -1.936 1.536 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.047 -3.584 3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.373 -4.024 1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.922 -4.811 1.755 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.844 -2.703 0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.211 -1.960 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.661 -1.540 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.946 -2.931 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.526 -4.027 -1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.259 -4.984 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.945 -5.087 -0.309 1.00 0.00 H new ATOM 1474 N ILE A 81 -5.197 -1.056 2.595 1.00 0.00 N ATOM 1475 CA ILE A 81 -4.041 -0.217 3.022 1.00 0.00 C ATOM 1476 C ILE A 81 -4.315 0.262 4.460 1.00 0.00 C ATOM 1477 O ILE A 81 -3.429 0.331 5.290 1.00 0.00 O ATOM 1478 CB ILE A 81 -4.009 0.978 2.053 1.00 0.00 C ATOM 1479 CG1 ILE A 81 -3.690 0.514 0.622 1.00 0.00 C ATOM 1480 CG2 ILE A 81 -2.938 1.964 2.504 1.00 0.00 C ATOM 1481 CD1 ILE A 81 -2.357 -0.236 0.583 1.00 0.00 C ATOM 0 H ILE A 81 -5.711 -0.711 1.784 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.091 -0.752 3.004 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.990 1.454 2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.488 -0.133 0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.648 1.375 -0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.913 2.812 1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.168 2.316 3.510 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.966 1.470 2.506 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.149 -0.556 -0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.559 0.422 0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.412 -1.109 1.233 1.00 0.00 H new ATOM 1493 N SER A 82 -5.558 0.572 4.752 1.00 0.00 N ATOM 1494 CA SER A 82 -5.940 1.029 6.123 1.00 0.00 C ATOM 1495 C SER A 82 -5.766 -0.099 7.123 1.00 0.00 C ATOM 1496 O SER A 82 -5.146 0.076 8.148 1.00 0.00 O ATOM 1497 CB SER A 82 -7.410 1.406 6.036 1.00 0.00 C ATOM 1498 OG SER A 82 -7.503 2.780 5.682 1.00 0.00 O ATOM 0 H SER A 82 -6.331 0.526 4.088 1.00 0.00 H new ATOM 0 HA SER A 82 -5.319 1.863 6.451 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.916 0.789 5.294 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.904 1.226 6.991 1.00 0.00 H new ATOM 0 HG SER A 82 -7.195 2.902 4.760 1.00 0.00 H new ATOM 1504 N TYR A 83 -6.305 -1.259 6.833 1.00 0.00 N ATOM 1505 CA TYR A 83 -6.147 -2.403 7.779 1.00 0.00 C ATOM 1506 C TYR A 83 -4.656 -2.581 8.075 1.00 0.00 C ATOM 1507 O TYR A 83 -4.252 -2.740 9.213 1.00 0.00 O ATOM 1508 CB TYR A 83 -6.726 -3.625 7.054 1.00 0.00 C ATOM 1509 CG TYR A 83 -8.165 -3.814 7.474 1.00 0.00 C ATOM 1510 CD1 TYR A 83 -8.460 -4.482 8.666 1.00 0.00 C ATOM 1511 CD2 TYR A 83 -9.204 -3.313 6.679 1.00 0.00 C ATOM 1512 CE1 TYR A 83 -9.791 -4.651 9.065 1.00 0.00 C ATOM 1513 CE2 TYR A 83 -10.536 -3.485 7.079 1.00 0.00 C ATOM 1514 CZ TYR A 83 -10.826 -4.153 8.271 1.00 0.00 C ATOM 1515 OH TYR A 83 -12.133 -4.319 8.670 1.00 0.00 O ATOM 0 H TYR A 83 -6.842 -1.460 5.990 1.00 0.00 H new ATOM 0 HA TYR A 83 -6.658 -2.251 8.729 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.665 -3.486 5.975 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.144 -4.515 7.294 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.660 -4.868 9.280 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.979 -2.795 5.759 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -10.017 -5.166 9.987 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.338 -3.101 6.466 1.00 0.00 H new ATOM 0 HH TYR A 83 -12.731 -3.914 8.008 1.00 0.00 H new ATOM 1525 N TYR A 84 -3.833 -2.507 7.057 1.00 0.00 N ATOM 1526 CA TYR A 84 -2.362 -2.630 7.276 1.00 0.00 C ATOM 1527 C TYR A 84 -1.845 -1.418 8.075 1.00 0.00 C ATOM 1528 O TYR A 84 -0.935 -1.542 8.869 1.00 0.00 O ATOM 1529 CB TYR A 84 -1.736 -2.677 5.876 1.00 0.00 C ATOM 1530 CG TYR A 84 -0.623 -3.705 5.857 1.00 0.00 C ATOM 1531 CD1 TYR A 84 0.412 -3.637 6.800 1.00 0.00 C ATOM 1532 CD2 TYR A 84 -0.627 -4.725 4.898 1.00 0.00 C ATOM 1533 CE1 TYR A 84 1.443 -4.587 6.782 1.00 0.00 C ATOM 1534 CE2 TYR A 84 0.404 -5.674 4.881 1.00 0.00 C ATOM 1535 CZ TYR A 84 1.438 -5.606 5.823 1.00 0.00 C ATOM 1536 OH TYR A 84 2.452 -6.543 5.801 1.00 0.00 O ATOM 0 H TYR A 84 -4.117 -2.367 6.088 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.105 -3.520 7.850 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.494 -2.932 5.135 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.344 -1.696 5.607 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.415 -2.852 7.541 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.424 -4.780 4.172 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.241 -4.532 7.508 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.401 -6.460 4.140 1.00 0.00 H new ATOM 0 HH TYR A 84 2.942 -6.515 6.649 1.00 0.00 H new ATOM 1546 N GLU A 85 -2.423 -0.248 7.890 1.00 0.00 N ATOM 1547 CA GLU A 85 -1.954 0.946 8.670 1.00 0.00 C ATOM 1548 C GLU A 85 -2.419 0.831 10.128 1.00 0.00 C ATOM 1549 O GLU A 85 -1.644 0.997 11.051 1.00 0.00 O ATOM 1550 CB GLU A 85 -2.595 2.172 8.005 1.00 0.00 C ATOM 1551 CG GLU A 85 -2.551 3.354 8.991 1.00 0.00 C ATOM 1552 CD GLU A 85 -2.287 4.683 8.280 1.00 0.00 C ATOM 1553 OE1 GLU A 85 -2.460 4.759 7.072 1.00 0.00 O ATOM 1554 OE2 GLU A 85 -1.919 5.618 8.982 1.00 0.00 O ATOM 0 H GLU A 85 -3.189 -0.071 7.241 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.867 1.021 8.673 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.062 2.426 7.089 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.625 1.953 7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.497 3.412 9.530 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.772 3.179 9.733 1.00 0.00 H new ATOM 1561 N LYS A 86 -3.683 0.549 10.337 1.00 0.00 N ATOM 1562 CA LYS A 86 -4.215 0.415 11.730 1.00 0.00 C ATOM 1563 C LYS A 86 -3.507 -0.746 12.442 1.00 0.00 C ATOM 1564 O LYS A 86 -3.187 -0.657 13.611 1.00 0.00 O ATOM 1565 CB LYS A 86 -5.713 0.148 11.550 1.00 0.00 C ATOM 1566 CG LYS A 86 -6.505 0.986 12.555 1.00 0.00 C ATOM 1567 CD LYS A 86 -7.862 1.366 11.951 1.00 0.00 C ATOM 1568 CE LYS A 86 -8.963 0.476 12.543 1.00 0.00 C ATOM 1569 NZ LYS A 86 -10.202 1.307 12.490 1.00 0.00 N ATOM 0 H LYS A 86 -4.372 0.405 9.599 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.046 1.299 12.344 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.018 0.396 10.533 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.925 -0.911 11.697 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.651 0.424 13.478 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.946 1.885 12.814 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.080 2.414 12.155 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.833 1.252 10.867 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.079 -0.443 11.968 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.727 0.184 13.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.855 1.005 13.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.955 2.308 12.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.660 1.188 11.564 1.00 0.00 H new ATOM 1583 N HIS A 87 -3.209 -1.805 11.727 1.00 0.00 N ATOM 1584 CA HIS A 87 -2.449 -2.946 12.325 1.00 0.00 C ATOM 1585 C HIS A 87 -1.070 -2.942 11.647 1.00 0.00 C ATOM 1586 O HIS A 87 -0.819 -3.691 10.724 1.00 0.00 O ATOM 1587 CB HIS A 87 -3.258 -4.202 11.985 1.00 0.00 C ATOM 1588 CG HIS A 87 -4.206 -4.509 13.111 1.00 0.00 C ATOM 1589 ND1 HIS A 87 -4.477 -5.804 13.515 1.00 0.00 N ATOM 1590 CD2 HIS A 87 -4.958 -3.697 13.923 1.00 0.00 C ATOM 1591 CE1 HIS A 87 -5.360 -5.736 14.529 1.00 0.00 C ATOM 1592 NE2 HIS A 87 -5.686 -4.475 14.818 1.00 0.00 N ATOM 0 H HIS A 87 -3.463 -1.927 10.747 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.308 -2.891 13.404 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.813 -4.050 11.059 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.588 -5.045 11.820 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.981 -2.618 13.875 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.756 -6.598 15.046 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.330 -4.151 15.540 1.00 0.00 H new ATOM 1600 N PRO A 88 -0.260 -2.010 12.090 1.00 0.00 N ATOM 1601 CA PRO A 88 1.083 -1.769 11.482 1.00 0.00 C ATOM 1602 C PRO A 88 2.087 -2.901 11.699 1.00 0.00 C ATOM 1603 O PRO A 88 2.231 -3.778 10.869 1.00 0.00 O ATOM 1604 CB PRO A 88 1.550 -0.506 12.193 1.00 0.00 C ATOM 1605 CG PRO A 88 0.819 -0.493 13.494 1.00 0.00 C ATOM 1606 CD PRO A 88 -0.517 -1.097 13.215 1.00 0.00 C ATOM 0 HA PRO A 88 1.014 -1.692 10.397 1.00 0.00 H new ATOM 0 HB2 PRO A 88 2.629 -0.518 12.348 1.00 0.00 H new ATOM 0 HB3 PRO A 88 1.322 0.383 11.605 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.357 -1.065 14.250 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.717 0.523 13.875 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.904 -1.631 14.083 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.253 -0.337 12.954 1.00 0.00 H new ATOM 1614 N LEU A 89 2.822 -2.837 12.785 1.00 0.00 N ATOM 1615 CA LEU A 89 3.876 -3.849 13.074 1.00 0.00 C ATOM 1616 C LEU A 89 5.005 -3.711 12.039 1.00 0.00 C ATOM 1617 O LEU A 89 5.137 -2.695 11.380 1.00 0.00 O ATOM 1618 CB LEU A 89 3.186 -5.228 12.995 1.00 0.00 C ATOM 1619 CG LEU A 89 2.198 -5.409 14.160 1.00 0.00 C ATOM 1620 CD1 LEU A 89 2.765 -4.795 15.444 1.00 0.00 C ATOM 1621 CD2 LEU A 89 0.876 -4.723 13.818 1.00 0.00 C ATOM 0 H LEU A 89 2.730 -2.109 13.494 1.00 0.00 H new ATOM 0 HA LEU A 89 4.326 -3.716 14.058 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.658 -5.322 12.046 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.937 -6.018 13.022 1.00 0.00 H new ATOM 0 HG LEU A 89 2.036 -6.475 14.318 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.053 -4.932 16.258 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.705 -5.285 15.698 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.941 -3.730 15.291 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.176 -4.851 14.643 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.050 -3.660 13.651 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.458 -5.168 12.915 1.00 0.00 H new ATOM 1633 N TYR A 90 5.818 -4.721 11.902 1.00 0.00 N ATOM 1634 CA TYR A 90 6.953 -4.678 10.916 1.00 0.00 C ATOM 1635 C TYR A 90 7.844 -3.435 11.143 1.00 0.00 C ATOM 1636 O TYR A 90 7.992 -2.596 10.270 1.00 0.00 O ATOM 1637 CB TYR A 90 6.280 -4.627 9.538 1.00 0.00 C ATOM 1638 CG TYR A 90 6.032 -6.026 9.029 1.00 0.00 C ATOM 1639 CD1 TYR A 90 7.061 -6.974 9.044 1.00 0.00 C ATOM 1640 CD2 TYR A 90 4.769 -6.372 8.532 1.00 0.00 C ATOM 1641 CE1 TYR A 90 6.826 -8.269 8.568 1.00 0.00 C ATOM 1642 CE2 TYR A 90 4.536 -7.666 8.057 1.00 0.00 C ATOM 1643 CZ TYR A 90 5.566 -8.613 8.073 1.00 0.00 C ATOM 1644 OH TYR A 90 5.340 -9.892 7.609 1.00 0.00 O ATOM 0 H TYR A 90 5.750 -5.588 12.434 1.00 0.00 H new ATOM 0 HA TYR A 90 7.611 -5.541 11.018 1.00 0.00 H new ATOM 0 HB2 TYR A 90 5.337 -4.084 9.605 1.00 0.00 H new ATOM 0 HB3 TYR A 90 6.912 -4.083 8.836 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.036 -6.706 9.423 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.976 -5.639 8.516 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.619 -9.002 8.583 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.561 -7.935 7.678 1.00 0.00 H new ATOM 0 HH TYR A 90 4.413 -9.969 7.300 1.00 0.00 H new ATOM 1654 N ARG A 91 8.441 -3.326 12.311 1.00 0.00 N ATOM 1655 CA ARG A 91 9.338 -2.157 12.632 1.00 0.00 C ATOM 1656 C ARG A 91 8.580 -0.820 12.499 1.00 0.00 C ATOM 1657 O ARG A 91 8.012 -0.336 13.457 1.00 0.00 O ATOM 1658 CB ARG A 91 10.510 -2.242 11.639 1.00 0.00 C ATOM 1659 CG ARG A 91 11.148 -3.635 11.687 1.00 0.00 C ATOM 1660 CD ARG A 91 11.682 -3.928 13.093 1.00 0.00 C ATOM 1661 NE ARG A 91 11.659 -5.415 13.190 1.00 0.00 N ATOM 1662 CZ ARG A 91 10.946 -6.005 14.096 1.00 0.00 C ATOM 1663 NH1 ARG A 91 11.293 -5.937 15.341 1.00 0.00 N ATOM 1664 NH2 ARG A 91 9.895 -6.668 13.742 1.00 0.00 N ATOM 0 H ARG A 91 8.345 -4.005 13.066 1.00 0.00 H new ATOM 0 HA ARG A 91 9.692 -2.197 13.662 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.156 -2.031 10.630 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.256 -1.484 11.880 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.413 -4.389 11.406 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.960 -3.696 10.962 1.00 0.00 H new ATOM 0 HD2 ARG A 91 12.690 -3.536 13.226 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.058 -3.469 13.860 1.00 0.00 H new ATOM 0 HE ARG A 91 12.210 -5.973 12.537 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.129 -5.418 15.610 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.730 -6.402 16.053 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.634 -6.723 12.757 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.326 -7.137 14.447 1.00 0.00 H new ATOM 1678 N LYS A 92 8.552 -0.226 11.327 1.00 0.00 N ATOM 1679 CA LYS A 92 7.809 1.068 11.152 1.00 0.00 C ATOM 1680 C LYS A 92 6.770 0.944 10.026 1.00 0.00 C ATOM 1681 O LYS A 92 6.297 1.934 9.495 1.00 0.00 O ATOM 1682 CB LYS A 92 8.862 2.143 10.806 1.00 0.00 C ATOM 1683 CG LYS A 92 9.833 1.644 9.725 1.00 0.00 C ATOM 1684 CD LYS A 92 11.051 2.574 9.679 1.00 0.00 C ATOM 1685 CE LYS A 92 12.034 2.196 10.794 1.00 0.00 C ATOM 1686 NZ LYS A 92 13.325 1.909 10.101 1.00 0.00 N ATOM 0 H LYS A 92 9.009 -0.579 10.486 1.00 0.00 H new ATOM 0 HA LYS A 92 7.268 1.334 12.060 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.362 3.047 10.459 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.420 2.411 11.703 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.147 0.623 9.943 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.338 1.624 8.754 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.541 2.499 8.708 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.734 3.610 9.797 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.145 3.008 11.512 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.684 1.326 11.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 14.049 1.660 10.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 13.196 1.115 9.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 13.631 2.752 9.573 1.00 0.00 H new ATOM 1700 N MET A 93 6.404 -0.261 9.658 1.00 0.00 N ATOM 1701 CA MET A 93 5.396 -0.439 8.568 1.00 0.00 C ATOM 1702 C MET A 93 3.993 -0.075 9.073 1.00 0.00 C ATOM 1703 O MET A 93 3.122 -0.917 9.192 1.00 0.00 O ATOM 1704 CB MET A 93 5.476 -1.922 8.201 1.00 0.00 C ATOM 1705 CG MET A 93 4.450 -2.248 7.114 1.00 0.00 C ATOM 1706 SD MET A 93 5.091 -3.573 6.063 1.00 0.00 S ATOM 1707 CE MET A 93 5.603 -2.530 4.679 1.00 0.00 C ATOM 0 H MET A 93 6.759 -1.126 10.065 1.00 0.00 H new ATOM 0 HA MET A 93 5.593 0.204 7.710 1.00 0.00 H new ATOM 0 HB2 MET A 93 6.479 -2.165 7.850 1.00 0.00 H new ATOM 0 HB3 MET A 93 5.290 -2.534 9.084 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.507 -2.553 7.568 1.00 0.00 H new ATOM 0 HG3 MET A 93 4.244 -1.361 6.515 1.00 0.00 H new ATOM 0 HE1 MET A 93 5.837 -3.157 3.818 1.00 0.00 H new ATOM 0 HE2 MET A 93 4.795 -1.845 4.421 1.00 0.00 H new ATOM 0 HE3 MET A 93 6.487 -1.958 4.962 1.00 0.00 H new ATOM 1717 N LYS A 94 3.762 1.174 9.372 1.00 0.00 N ATOM 1718 CA LYS A 94 2.410 1.574 9.867 1.00 0.00 C ATOM 1719 C LYS A 94 1.652 2.410 8.828 1.00 0.00 C ATOM 1720 O LYS A 94 0.579 2.902 9.105 1.00 0.00 O ATOM 1721 CB LYS A 94 2.663 2.401 11.137 1.00 0.00 C ATOM 1722 CG LYS A 94 1.434 2.313 12.050 1.00 0.00 C ATOM 1723 CD LYS A 94 0.946 3.709 12.458 1.00 0.00 C ATOM 1724 CE LYS A 94 -0.400 4.018 11.786 1.00 0.00 C ATOM 1725 NZ LYS A 94 -0.055 4.674 10.488 1.00 0.00 N ATOM 0 H LYS A 94 4.442 1.930 9.297 1.00 0.00 H new ATOM 0 HA LYS A 94 1.792 0.698 10.063 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.545 2.029 11.658 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.862 3.440 10.875 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.633 1.781 11.537 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.680 1.736 12.941 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.841 3.763 13.542 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.684 4.458 12.172 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.977 3.107 11.625 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.008 4.674 12.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.872 5.221 10.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.755 5.311 10.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.192 3.947 9.786 1.00 0.00 H new ATOM 1739 N LEU A 95 2.190 2.582 7.651 1.00 0.00 N ATOM 1740 CA LEU A 95 1.496 3.401 6.605 1.00 0.00 C ATOM 1741 C LEU A 95 1.416 4.873 7.042 1.00 0.00 C ATOM 1742 O LEU A 95 1.658 5.210 8.191 1.00 0.00 O ATOM 1743 CB LEU A 95 0.104 2.767 6.434 1.00 0.00 C ATOM 1744 CG LEU A 95 0.081 2.018 5.106 1.00 0.00 C ATOM 1745 CD1 LEU A 95 -0.637 0.682 5.277 1.00 0.00 C ATOM 1746 CD2 LEU A 95 -0.639 2.866 4.062 1.00 0.00 C ATOM 0 H LEU A 95 3.086 2.189 7.363 1.00 0.00 H new ATOM 0 HA LEU A 95 2.033 3.402 5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.107 2.086 7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.668 3.536 6.450 1.00 0.00 H new ATOM 0 HG LEU A 95 1.103 1.829 4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.650 0.152 4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.114 0.080 6.020 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.660 0.859 5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.658 2.334 3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.660 3.058 4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.114 3.813 3.938 1.00 0.00 H new ATOM 1758 N ARG A 96 1.110 5.754 6.118 1.00 0.00 N ATOM 1759 CA ARG A 96 1.036 7.221 6.437 1.00 0.00 C ATOM 1760 C ARG A 96 2.411 7.739 6.907 1.00 0.00 C ATOM 1761 O ARG A 96 2.524 8.457 7.883 1.00 0.00 O ATOM 1762 CB ARG A 96 -0.011 7.359 7.544 1.00 0.00 C ATOM 1763 CG ARG A 96 -0.425 8.831 7.679 1.00 0.00 C ATOM 1764 CD ARG A 96 -1.906 8.922 8.063 1.00 0.00 C ATOM 1765 NE ARG A 96 -2.029 8.133 9.323 1.00 0.00 N ATOM 1766 CZ ARG A 96 -2.150 8.733 10.462 1.00 0.00 C ATOM 1767 NH1 ARG A 96 -1.118 9.298 11.005 1.00 0.00 N ATOM 1768 NH2 ARG A 96 -3.300 8.764 11.054 1.00 0.00 N ATOM 0 H ARG A 96 0.906 5.519 5.147 1.00 0.00 H new ATOM 0 HA ARG A 96 0.761 7.811 5.562 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.882 6.745 7.314 1.00 0.00 H new ATOM 0 HB3 ARG A 96 0.394 6.996 8.489 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.187 9.322 8.436 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.251 9.355 6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.211 9.957 8.215 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.543 8.514 7.278 1.00 0.00 H new ATOM 0 HE ARG A 96 -2.018 7.114 9.286 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.214 9.269 10.534 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.210 9.772 11.903 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.108 8.316 10.622 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.398 9.237 11.953 1.00 0.00 H new ATOM 1782 N TYR A 97 3.455 7.380 6.204 1.00 0.00 N ATOM 1783 CA TYR A 97 4.831 7.835 6.576 1.00 0.00 C ATOM 1784 C TYR A 97 5.582 8.254 5.301 1.00 0.00 C ATOM 1785 O TYR A 97 5.236 7.808 4.220 1.00 0.00 O ATOM 1786 CB TYR A 97 5.469 6.594 7.215 1.00 0.00 C ATOM 1787 CG TYR A 97 6.757 6.959 7.909 1.00 0.00 C ATOM 1788 CD1 TYR A 97 6.734 7.675 9.113 1.00 0.00 C ATOM 1789 CD2 TYR A 97 7.979 6.572 7.348 1.00 0.00 C ATOM 1790 CE1 TYR A 97 7.935 8.002 9.751 1.00 0.00 C ATOM 1791 CE2 TYR A 97 9.177 6.899 7.988 1.00 0.00 C ATOM 1792 CZ TYR A 97 9.154 7.614 9.188 1.00 0.00 C ATOM 1793 OH TYR A 97 10.334 7.935 9.816 1.00 0.00 O ATOM 0 H TYR A 97 3.413 6.784 5.378 1.00 0.00 H new ATOM 0 HA TYR A 97 4.847 8.691 7.250 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.777 6.150 7.931 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.662 5.842 6.450 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.791 7.974 9.547 1.00 0.00 H new ATOM 0 HD2 TYR A 97 7.996 6.020 6.420 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.920 8.554 10.679 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.120 6.599 7.555 1.00 0.00 H new ATOM 0 HH TYR A 97 10.188 7.980 10.784 1.00 0.00 H new ATOM 1803 N PRO A 98 6.586 9.095 5.445 1.00 0.00 N ATOM 1804 CA PRO A 98 7.352 9.542 4.270 1.00 0.00 C ATOM 1805 C PRO A 98 8.557 8.624 4.105 1.00 0.00 C ATOM 1806 O PRO A 98 8.637 7.573 4.713 1.00 0.00 O ATOM 1807 CB PRO A 98 7.829 10.927 4.672 1.00 0.00 C ATOM 1808 CG PRO A 98 7.919 10.886 6.166 1.00 0.00 C ATOM 1809 CD PRO A 98 7.111 9.707 6.667 1.00 0.00 C ATOM 0 HA PRO A 98 6.783 9.536 3.340 1.00 0.00 H new ATOM 0 HB2 PRO A 98 8.796 11.157 4.224 1.00 0.00 H new ATOM 0 HB3 PRO A 98 7.132 11.697 4.339 1.00 0.00 H new ATOM 0 HG2 PRO A 98 8.959 10.793 6.480 1.00 0.00 H new ATOM 0 HG3 PRO A 98 7.539 11.814 6.593 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.730 9.008 7.229 1.00 0.00 H new ATOM 0 HD3 PRO A 98 6.308 10.026 7.331 1.00 0.00 H new ATOM 1817 N ILE A 99 9.509 9.016 3.320 1.00 0.00 N ATOM 1818 CA ILE A 99 10.713 8.174 3.164 1.00 0.00 C ATOM 1819 C ILE A 99 11.953 8.955 3.633 1.00 0.00 C ATOM 1820 O ILE A 99 12.556 9.701 2.889 1.00 0.00 O ATOM 1821 CB ILE A 99 10.744 7.818 1.680 1.00 0.00 C ATOM 1822 CG1 ILE A 99 10.756 9.087 0.791 1.00 0.00 C ATOM 1823 CG2 ILE A 99 9.510 6.961 1.357 1.00 0.00 C ATOM 1824 CD1 ILE A 99 9.332 9.496 0.381 1.00 0.00 C ATOM 0 H ILE A 99 9.506 9.882 2.780 1.00 0.00 H new ATOM 0 HA ILE A 99 10.701 7.267 3.768 1.00 0.00 H new ATOM 0 HB ILE A 99 11.658 7.264 1.469 1.00 0.00 H new ATOM 0 HG12 ILE A 99 11.231 9.907 1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.355 8.903 -0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.517 6.698 0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.531 6.052 1.958 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.606 7.525 1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 99 9.375 10.389 -0.242 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.868 8.685 -0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.742 9.704 1.274 1.00 0.00 H new ATOM 1836 N ASN A 100 12.322 8.798 4.880 1.00 0.00 N ATOM 1837 CA ASN A 100 13.502 9.550 5.416 1.00 0.00 C ATOM 1838 C ASN A 100 14.779 8.686 5.420 1.00 0.00 C ATOM 1839 O ASN A 100 14.770 7.552 5.857 1.00 0.00 O ATOM 1840 CB ASN A 100 13.110 9.932 6.846 1.00 0.00 C ATOM 1841 CG ASN A 100 12.209 11.164 6.815 1.00 0.00 C ATOM 1842 OD1 ASN A 100 11.007 11.051 6.716 1.00 0.00 O ATOM 1843 ND2 ASN A 100 12.743 12.345 6.895 1.00 0.00 N ATOM 0 H ASN A 100 11.859 8.183 5.550 1.00 0.00 H new ATOM 0 HA ASN A 100 13.732 10.418 4.798 1.00 0.00 H new ATOM 0 HB2 ASN A 100 12.592 9.102 7.327 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.003 10.136 7.437 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.151 13.175 6.874 1.00 0.00 H new ATOM 0 HD22 ASN A 100 13.755 12.443 6.978 1.00 0.00 H new ATOM 1850 N GLU A 101 15.883 9.223 4.962 1.00 0.00 N ATOM 1851 CA GLU A 101 17.160 8.434 4.962 1.00 0.00 C ATOM 1852 C GLU A 101 17.625 8.167 6.403 1.00 0.00 C ATOM 1853 O GLU A 101 18.084 9.065 7.093 1.00 0.00 O ATOM 1854 CB GLU A 101 18.183 9.302 4.220 1.00 0.00 C ATOM 1855 CG GLU A 101 18.884 8.474 3.127 1.00 0.00 C ATOM 1856 CD GLU A 101 19.312 7.103 3.671 1.00 0.00 C ATOM 1857 OE1 GLU A 101 19.853 7.054 4.765 1.00 0.00 O ATOM 1858 OE2 GLU A 101 19.097 6.124 2.978 1.00 0.00 O ATOM 0 H GLU A 101 15.958 10.169 4.589 1.00 0.00 H new ATOM 0 HA GLU A 101 17.034 7.463 4.483 1.00 0.00 H new ATOM 0 HB2 GLU A 101 17.685 10.162 3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 101 18.920 9.690 4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 101 18.212 8.340 2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 101 19.757 9.013 2.760 1.00 0.00 H new