USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 568 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 55 ASN : amide:sc= 0.0136 K(o=0.024,f=-2.9!) USER MOD Set 1.2: A 58 SER OG : rot 150:sc= 0.0108 USER MOD Set 2.1: A 45 THR OG1 : rot -133:sc= -0.437 USER MOD Set 2.2: A 74 THR OG1 : rot -170:sc= -0.0115 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -100:sc= -0.585 USER MOD Single : A 25 THR OG1 : rot 42:sc= 0.0912 USER MOD Single : A 39 SER OG : rot -75:sc= -0.691! USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -136:sc= -3.35 (180deg=-8.84!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 57 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.15) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -2.82! USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.845 USER MOD Single : A 67 GLN : amide:sc= -0.025 X(o=-0.025,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 165:sc= -0.951 USER MOD Single : A 76 THR OG1 : rot -170:sc= -0.0686 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.278 K(o=-0.28,f=-1.4) USER MOD Single : A 84 GLN : amide:sc= -0.0165 K(o=-0.016,f=-0.67) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -4.43! C(o=-4.4!,f=-12!) USER MOD Single : A 87 SER OG : rot 167:sc= -3.6! USER MOD Single : A 88 SER OG : rot 180:sc= 0.00809 USER MOD Single : A 90 ASN : amide:sc= -0.067 K(o=-0.067,f=-1.5!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 5.401 4.024 2.589 1.00 0.00 N ATOM 106 CA ALA A 11 4.145 3.427 2.151 1.00 0.00 C ATOM 107 C ALA A 11 3.176 4.492 1.650 1.00 0.00 C ATOM 108 O ALA A 11 1.965 4.275 1.613 1.00 0.00 O ATOM 109 CB ALA A 11 3.517 2.630 3.285 1.00 0.00 C ATOM 0 HA ALA A 11 4.361 2.752 1.323 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.580 2.190 2.945 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.199 1.838 3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.322 3.291 4.130 1.00 0.00 H new ATOM 115 N GLY A 12 3.716 5.644 1.266 1.00 0.00 N ATOM 116 CA GLY A 12 2.884 6.726 0.773 1.00 0.00 C ATOM 117 C GLY A 12 2.039 7.351 1.865 1.00 0.00 C ATOM 118 O GLY A 12 1.801 6.753 2.915 1.00 0.00 O ATOM 0 H GLY A 12 4.715 5.848 1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.517 7.492 0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.233 6.349 -0.015 1.00 0.00 H new ATOM 122 N PRO A 13 1.570 8.584 1.623 1.00 0.00 N ATOM 123 CA PRO A 13 0.740 9.318 2.583 1.00 0.00 C ATOM 124 C PRO A 13 -0.651 8.711 2.729 1.00 0.00 C ATOM 125 O PRO A 13 -1.090 7.931 1.884 1.00 0.00 O ATOM 126 CB PRO A 13 0.652 10.720 1.976 1.00 0.00 C ATOM 127 CG PRO A 13 0.863 10.515 0.516 1.00 0.00 C ATOM 128 CD PRO A 13 1.814 9.357 0.394 1.00 0.00 C ATOM 0 HA PRO A 13 1.164 9.300 3.587 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.317 11.178 2.175 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.409 11.382 2.396 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.079 10.301 0.012 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.277 11.410 0.052 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.614 8.765 -0.499 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.849 9.692 0.329 1.00 0.00 H new ATOM 136 N ASP A 14 -1.340 9.075 3.805 1.00 0.00 N ATOM 137 CA ASP A 14 -2.683 8.568 4.060 1.00 0.00 C ATOM 138 C ASP A 14 -3.467 8.425 2.759 1.00 0.00 C ATOM 139 O ASP A 14 -3.405 9.291 1.887 1.00 0.00 O ATOM 140 CB ASP A 14 -3.429 9.497 5.020 1.00 0.00 C ATOM 141 CG ASP A 14 -3.883 10.778 4.349 1.00 0.00 C ATOM 142 OD1 ASP A 14 -3.013 11.596 3.982 1.00 0.00 O ATOM 143 OD2 ASP A 14 -5.108 10.964 4.191 1.00 0.00 O ATOM 0 H ASP A 14 -0.991 9.719 4.514 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.591 7.583 4.518 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.296 8.976 5.426 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.781 9.741 5.862 1.00 0.00 H new ATOM 148 N LYS A 15 -4.203 7.326 2.635 1.00 0.00 N ATOM 149 CA LYS A 15 -4.999 7.068 1.441 1.00 0.00 C ATOM 150 C LYS A 15 -6.480 7.311 1.713 1.00 0.00 C ATOM 151 O LYS A 15 -7.033 6.802 2.687 1.00 0.00 O ATOM 152 CB LYS A 15 -4.787 5.630 0.962 1.00 0.00 C ATOM 153 CG LYS A 15 -3.593 5.468 0.037 1.00 0.00 C ATOM 154 CD LYS A 15 -3.933 5.874 -1.388 1.00 0.00 C ATOM 155 CE LYS A 15 -2.696 5.887 -2.273 1.00 0.00 C ATOM 156 NZ LYS A 15 -3.012 6.326 -3.661 1.00 0.00 N ATOM 0 H LYS A 15 -4.265 6.599 3.348 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.672 7.756 0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.655 4.983 1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.685 5.292 0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.764 6.075 0.401 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.259 4.431 0.051 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.669 5.183 -1.799 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.391 6.863 -1.386 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.948 6.553 -1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.257 4.890 -2.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.143 6.322 -4.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.706 5.676 -4.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.407 7.288 -3.639 1.00 0.00 H new ATOM 170 N GLU A 16 -7.116 8.091 0.843 1.00 0.00 N ATOM 171 CA GLU A 16 -8.534 8.399 0.990 1.00 0.00 C ATOM 172 C GLU A 16 -9.281 8.160 -0.318 1.00 0.00 C ATOM 173 O GLU A 16 -9.081 8.876 -1.301 1.00 0.00 O ATOM 174 CB GLU A 16 -8.718 9.851 1.438 1.00 0.00 C ATOM 175 CG GLU A 16 -9.969 10.077 2.271 1.00 0.00 C ATOM 176 CD GLU A 16 -10.519 11.482 2.129 1.00 0.00 C ATOM 177 OE1 GLU A 16 -10.406 12.055 1.025 1.00 0.00 O ATOM 178 OE2 GLU A 16 -11.062 12.010 3.122 1.00 0.00 O ATOM 0 H GLU A 16 -6.672 8.520 0.031 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.948 7.736 1.750 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.846 10.157 2.016 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.757 10.492 0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.734 9.360 1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.742 9.884 3.320 1.00 0.00 H new ATOM 185 N LEU A 17 -10.143 7.149 -0.324 1.00 0.00 N ATOM 186 CA LEU A 17 -10.921 6.814 -1.512 1.00 0.00 C ATOM 187 C LEU A 17 -12.400 7.119 -1.298 1.00 0.00 C ATOM 188 O LEU A 17 -12.924 6.962 -0.195 1.00 0.00 O ATOM 189 CB LEU A 17 -10.739 5.336 -1.865 1.00 0.00 C ATOM 190 CG LEU A 17 -9.304 4.809 -1.825 1.00 0.00 C ATOM 191 CD1 LEU A 17 -9.294 3.308 -1.580 1.00 0.00 C ATOM 192 CD2 LEU A 17 -8.577 5.145 -3.119 1.00 0.00 C ATOM 0 H LEU A 17 -10.321 6.547 0.480 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.559 7.426 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.342 4.742 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.138 5.170 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.781 5.294 -1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.265 2.950 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.777 3.092 -0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.833 2.805 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.557 4.763 -3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.099 4.687 -3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.553 6.227 -3.253 1.00 0.00 H new ATOM 204 N THR A 18 -13.069 7.554 -2.361 1.00 0.00 N ATOM 205 CA THR A 18 -14.488 7.880 -2.291 1.00 0.00 C ATOM 206 C THR A 18 -15.295 7.040 -3.274 1.00 0.00 C ATOM 207 O THR A 18 -15.181 7.209 -4.489 1.00 0.00 O ATOM 208 CB THR A 18 -14.737 9.371 -2.582 1.00 0.00 C ATOM 209 OG1 THR A 18 -13.780 10.174 -1.881 1.00 0.00 O ATOM 210 CG2 THR A 18 -16.144 9.776 -2.170 1.00 0.00 C ATOM 0 H THR A 18 -12.651 7.689 -3.281 1.00 0.00 H new ATOM 0 HA THR A 18 -14.813 7.657 -1.275 1.00 0.00 H new ATOM 0 HB THR A 18 -14.629 9.531 -3.655 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.944 11.121 -2.073 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.296 10.834 -2.385 1.00 0.00 H new ATOM 0 HG22 THR A 18 -16.871 9.184 -2.727 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.275 9.601 -1.102 1.00 0.00 H new ATOM 218 N LEU A 19 -16.109 6.135 -2.743 1.00 0.00 N ATOM 219 CA LEU A 19 -16.937 5.268 -3.575 1.00 0.00 C ATOM 220 C LEU A 19 -17.528 6.043 -4.749 1.00 0.00 C ATOM 221 O LEU A 19 -17.628 7.270 -4.727 1.00 0.00 O ATOM 222 CB LEU A 19 -18.059 4.648 -2.742 1.00 0.00 C ATOM 223 CG LEU A 19 -17.715 3.348 -2.014 1.00 0.00 C ATOM 224 CD1 LEU A 19 -18.715 3.080 -0.900 1.00 0.00 C ATOM 225 CD2 LEU A 19 -17.678 2.183 -2.992 1.00 0.00 C ATOM 0 H LEU A 19 -16.214 5.982 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.305 4.473 -3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.382 5.380 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -18.909 4.460 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 19 -16.726 3.454 -1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -18.455 2.151 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -18.692 3.902 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -19.716 2.994 -1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -17.432 1.266 -2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -18.653 2.075 -3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.922 2.372 -3.755 1.00 0.00 H new ATOM 237 N PRO A 20 -17.931 5.311 -5.798 1.00 0.00 N ATOM 238 CA PRO A 20 -17.816 3.850 -5.836 1.00 0.00 C ATOM 239 C PRO A 20 -16.368 3.386 -5.943 1.00 0.00 C ATOM 240 O PRO A 20 -16.085 2.188 -5.910 1.00 0.00 O ATOM 241 CB PRO A 20 -18.596 3.465 -7.095 1.00 0.00 C ATOM 242 CG PRO A 20 -18.536 4.675 -7.963 1.00 0.00 C ATOM 243 CD PRO A 20 -18.529 5.854 -7.030 1.00 0.00 C ATOM 0 HA PRO A 20 -18.196 3.387 -4.925 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -18.150 2.601 -7.588 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -19.626 3.199 -6.857 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -17.641 4.665 -8.586 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -19.392 4.715 -8.636 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -17.942 6.680 -7.431 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -19.536 6.234 -6.855 1.00 0.00 H new ATOM 251 N VAL A 21 -15.452 4.341 -6.072 1.00 0.00 N ATOM 252 CA VAL A 21 -14.032 4.029 -6.183 1.00 0.00 C ATOM 253 C VAL A 21 -13.594 3.064 -5.087 1.00 0.00 C ATOM 254 O VAL A 21 -13.145 3.483 -4.020 1.00 0.00 O ATOM 255 CB VAL A 21 -13.170 5.303 -6.105 1.00 0.00 C ATOM 256 CG1 VAL A 21 -11.691 4.950 -6.140 1.00 0.00 C ATOM 257 CG2 VAL A 21 -13.526 6.257 -7.235 1.00 0.00 C ATOM 0 H VAL A 21 -15.668 5.337 -6.102 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.886 3.559 -7.156 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.377 5.804 -5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.098 5.863 -6.084 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.450 4.308 -5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.464 4.426 -7.068 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.907 7.152 -7.164 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.349 5.768 -8.193 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.577 6.536 -7.158 1.00 0.00 H new ATOM 267 N ASP A 22 -13.727 1.770 -5.357 1.00 0.00 N ATOM 268 CA ASP A 22 -13.344 0.745 -4.394 1.00 0.00 C ATOM 269 C ASP A 22 -12.033 0.079 -4.803 1.00 0.00 C ATOM 270 O ASP A 22 -11.901 -1.143 -4.741 1.00 0.00 O ATOM 271 CB ASP A 22 -14.447 -0.307 -4.271 1.00 0.00 C ATOM 272 CG ASP A 22 -15.467 0.046 -3.206 1.00 0.00 C ATOM 273 OD1 ASP A 22 -15.220 1.003 -2.442 1.00 0.00 O ATOM 274 OD2 ASP A 22 -16.512 -0.633 -3.137 1.00 0.00 O ATOM 0 H ASP A 22 -14.097 1.406 -6.235 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.201 1.226 -3.426 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.951 -0.415 -5.231 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.000 -1.273 -4.036 1.00 0.00 H new ATOM 279 N SER A 23 -11.068 0.892 -5.220 1.00 0.00 N ATOM 280 CA SER A 23 -9.769 0.381 -5.643 1.00 0.00 C ATOM 281 C SER A 23 -8.720 1.489 -5.633 1.00 0.00 C ATOM 282 O SER A 23 -8.993 2.623 -6.029 1.00 0.00 O ATOM 283 CB SER A 23 -9.868 -0.229 -7.042 1.00 0.00 C ATOM 284 OG SER A 23 -10.217 0.753 -8.003 1.00 0.00 O ATOM 0 H SER A 23 -11.161 1.906 -5.274 1.00 0.00 H new ATOM 0 HA SER A 23 -9.463 -0.392 -4.938 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.915 -0.684 -7.312 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.613 -1.025 -7.043 1.00 0.00 H new ATOM 0 HG SER A 23 -10.272 0.338 -8.889 1.00 0.00 H new ATOM 290 N THR A 24 -7.518 1.153 -5.175 1.00 0.00 N ATOM 291 CA THR A 24 -6.427 2.118 -5.111 1.00 0.00 C ATOM 292 C THR A 24 -5.088 1.455 -5.413 1.00 0.00 C ATOM 293 O THR A 24 -4.992 0.230 -5.483 1.00 0.00 O ATOM 294 CB THR A 24 -6.354 2.792 -3.728 1.00 0.00 C ATOM 295 OG1 THR A 24 -5.574 3.990 -3.807 1.00 0.00 O ATOM 296 CG2 THR A 24 -5.744 1.851 -2.699 1.00 0.00 C ATOM 0 H THR A 24 -7.275 0.220 -4.843 1.00 0.00 H new ATOM 0 HA THR A 24 -6.631 2.877 -5.866 1.00 0.00 H new ATOM 0 HB THR A 24 -7.368 3.039 -3.415 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.669 3.814 -3.474 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.703 2.349 -1.730 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.356 0.953 -2.620 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.736 1.577 -3.009 1.00 0.00 H new ATOM 304 N THR A 25 -4.055 2.273 -5.589 1.00 0.00 N ATOM 305 CA THR A 25 -2.721 1.766 -5.884 1.00 0.00 C ATOM 306 C THR A 25 -1.708 2.251 -4.853 1.00 0.00 C ATOM 307 O THR A 25 -1.553 3.454 -4.638 1.00 0.00 O ATOM 308 CB THR A 25 -2.253 2.195 -7.287 1.00 0.00 C ATOM 309 OG1 THR A 25 -2.478 3.597 -7.470 1.00 0.00 O ATOM 310 CG2 THR A 25 -2.990 1.414 -8.365 1.00 0.00 C ATOM 0 H THR A 25 -4.117 3.290 -5.532 1.00 0.00 H new ATOM 0 HA THR A 25 -2.782 0.678 -5.847 1.00 0.00 H new ATOM 0 HB THR A 25 -1.187 1.984 -7.371 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.224 4.078 -6.655 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.643 1.734 -9.348 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.795 0.349 -8.240 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.061 1.599 -8.280 1.00 0.00 H new ATOM 318 N LEU A 26 -1.020 1.309 -4.217 1.00 0.00 N ATOM 319 CA LEU A 26 -0.020 1.641 -3.208 1.00 0.00 C ATOM 320 C LEU A 26 1.377 1.677 -3.817 1.00 0.00 C ATOM 321 O LEU A 26 2.099 0.679 -3.798 1.00 0.00 O ATOM 322 CB LEU A 26 -0.065 0.626 -2.064 1.00 0.00 C ATOM 323 CG LEU A 26 -1.395 0.513 -1.319 1.00 0.00 C ATOM 324 CD1 LEU A 26 -1.496 -0.828 -0.608 1.00 0.00 C ATOM 325 CD2 LEU A 26 -1.550 1.657 -0.328 1.00 0.00 C ATOM 0 H LEU A 26 -1.136 0.309 -4.382 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.250 2.632 -2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.188 -0.355 -2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.711 0.886 -1.344 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.204 0.577 -2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.449 -0.891 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.431 -1.633 -1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.680 -0.922 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.502 1.560 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.735 1.624 0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.523 2.607 -0.862 1.00 0.00 H new ATOM 337 N ASP A 27 1.753 2.831 -4.356 1.00 0.00 N ATOM 338 CA ASP A 27 3.066 2.998 -4.968 1.00 0.00 C ATOM 339 C ASP A 27 4.123 3.305 -3.912 1.00 0.00 C ATOM 340 O ASP A 27 4.026 4.297 -3.191 1.00 0.00 O ATOM 341 CB ASP A 27 3.029 4.118 -6.009 1.00 0.00 C ATOM 342 CG ASP A 27 3.107 5.495 -5.382 1.00 0.00 C ATOM 343 OD1 ASP A 27 2.322 5.768 -4.450 1.00 0.00 O ATOM 344 OD2 ASP A 27 3.953 6.301 -5.823 1.00 0.00 O ATOM 0 H ASP A 27 1.167 3.665 -4.382 1.00 0.00 H new ATOM 0 HA ASP A 27 3.331 2.062 -5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.859 3.991 -6.704 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.111 4.039 -6.591 1.00 0.00 H new ATOM 349 N GLY A 28 5.133 2.444 -3.825 1.00 0.00 N ATOM 350 CA GLY A 28 6.193 2.639 -2.853 1.00 0.00 C ATOM 351 C GLY A 28 7.562 2.733 -3.499 1.00 0.00 C ATOM 352 O GLY A 28 8.560 2.310 -2.917 1.00 0.00 O ATOM 0 H GLY A 28 5.236 1.615 -4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.999 3.549 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.186 1.813 -2.142 1.00 0.00 H new ATOM 493 N ILE A 38 15.800 -4.020 -3.433 1.00 0.00 N ATOM 494 CA ILE A 38 15.655 -5.140 -4.354 1.00 0.00 C ATOM 495 C ILE A 38 14.564 -6.098 -3.888 1.00 0.00 C ATOM 496 O ILE A 38 14.487 -7.238 -4.346 1.00 0.00 O ATOM 497 CB ILE A 38 16.975 -5.918 -4.506 1.00 0.00 C ATOM 498 CG1 ILE A 38 17.524 -6.308 -3.132 1.00 0.00 C ATOM 499 CG2 ILE A 38 17.994 -5.088 -5.273 1.00 0.00 C ATOM 500 CD1 ILE A 38 18.407 -5.249 -2.512 1.00 0.00 C ATOM 0 HA ILE A 38 15.377 -4.720 -5.320 1.00 0.00 H new ATOM 0 HB ILE A 38 16.779 -6.830 -5.070 1.00 0.00 H new ATOM 0 HG12 ILE A 38 16.690 -6.512 -2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 38 18.092 -7.234 -3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 38 18.922 -5.652 -5.372 1.00 0.00 H new ATOM 0 HG22 ILE A 38 17.603 -4.856 -6.264 1.00 0.00 H new ATOM 0 HG23 ILE A 38 18.188 -4.161 -4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.760 -5.593 -1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 38 19.261 -5.061 -3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 38 17.837 -4.328 -2.386 1.00 0.00 H new ATOM 512 N SER A 39 13.721 -5.627 -2.974 1.00 0.00 N ATOM 513 CA SER A 39 12.635 -6.442 -2.444 1.00 0.00 C ATOM 514 C SER A 39 11.401 -5.589 -2.167 1.00 0.00 C ATOM 515 O SER A 39 11.503 -4.482 -1.636 1.00 0.00 O ATOM 516 CB SER A 39 13.079 -7.148 -1.161 1.00 0.00 C ATOM 517 OG SER A 39 13.533 -6.215 -0.196 1.00 0.00 O ATOM 0 H SER A 39 13.770 -4.685 -2.586 1.00 0.00 H new ATOM 0 HA SER A 39 12.377 -7.191 -3.193 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.248 -7.723 -0.753 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.875 -7.857 -1.389 1.00 0.00 H new ATOM 0 HG SER A 39 14.423 -5.891 -0.447 1.00 0.00 H new ATOM 523 N TYR A 40 10.235 -6.111 -2.529 1.00 0.00 N ATOM 524 CA TYR A 40 8.980 -5.398 -2.323 1.00 0.00 C ATOM 525 C TYR A 40 7.855 -6.365 -1.968 1.00 0.00 C ATOM 526 O TYR A 40 7.648 -7.372 -2.647 1.00 0.00 O ATOM 527 CB TYR A 40 8.608 -4.604 -3.576 1.00 0.00 C ATOM 528 CG TYR A 40 9.524 -3.431 -3.844 1.00 0.00 C ATOM 529 CD1 TYR A 40 9.496 -2.303 -3.033 1.00 0.00 C ATOM 530 CD2 TYR A 40 10.416 -3.450 -4.909 1.00 0.00 C ATOM 531 CE1 TYR A 40 10.331 -1.229 -3.274 1.00 0.00 C ATOM 532 CE2 TYR A 40 11.256 -2.381 -5.156 1.00 0.00 C ATOM 533 CZ TYR A 40 11.209 -1.273 -4.336 1.00 0.00 C ATOM 534 OH TYR A 40 12.042 -0.205 -4.581 1.00 0.00 O ATOM 0 H TYR A 40 10.132 -7.026 -2.967 1.00 0.00 H new ATOM 0 HA TYR A 40 9.117 -4.708 -1.491 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.625 -5.272 -4.437 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.586 -4.240 -3.475 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.810 -2.265 -2.200 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.453 -4.315 -5.555 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.296 -0.360 -2.634 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.946 -2.413 -5.987 1.00 0.00 H new ATOM 0 HH TYR A 40 12.598 -0.397 -5.365 1.00 0.00 H new ATOM 544 N LEU A 41 7.130 -6.052 -0.899 1.00 0.00 N ATOM 545 CA LEU A 41 6.024 -6.893 -0.453 1.00 0.00 C ATOM 546 C LEU A 41 4.882 -6.043 0.095 1.00 0.00 C ATOM 547 O LEU A 41 5.110 -5.021 0.741 1.00 0.00 O ATOM 548 CB LEU A 41 6.504 -7.874 0.618 1.00 0.00 C ATOM 549 CG LEU A 41 5.411 -8.616 1.387 1.00 0.00 C ATOM 550 CD1 LEU A 41 4.820 -9.729 0.534 1.00 0.00 C ATOM 551 CD2 LEU A 41 5.961 -9.176 2.690 1.00 0.00 C ATOM 0 H LEU A 41 7.288 -5.223 -0.326 1.00 0.00 H new ATOM 0 HA LEU A 41 5.656 -7.454 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.151 -8.612 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.117 -7.327 1.334 1.00 0.00 H new ATOM 0 HG LEU A 41 4.617 -7.908 1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.044 -10.246 1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.388 -9.303 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.604 -10.436 0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.169 -9.701 3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.774 -9.869 2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.335 -8.360 3.308 1.00 0.00 H new ATOM 563 N TRP A 42 3.654 -6.475 -0.166 1.00 0.00 N ATOM 564 CA TRP A 42 2.475 -5.755 0.303 1.00 0.00 C ATOM 565 C TRP A 42 1.453 -6.715 0.903 1.00 0.00 C ATOM 566 O TRP A 42 1.046 -7.682 0.260 1.00 0.00 O ATOM 567 CB TRP A 42 1.841 -4.969 -0.846 1.00 0.00 C ATOM 568 CG TRP A 42 2.613 -3.741 -1.222 1.00 0.00 C ATOM 569 CD1 TRP A 42 3.618 -3.654 -2.143 1.00 0.00 C ATOM 570 CD2 TRP A 42 2.445 -2.424 -0.684 1.00 0.00 C ATOM 571 NE1 TRP A 42 4.084 -2.363 -2.210 1.00 0.00 N ATOM 572 CE2 TRP A 42 3.380 -1.589 -1.326 1.00 0.00 C ATOM 573 CE3 TRP A 42 1.594 -1.870 0.276 1.00 0.00 C ATOM 574 CZ2 TRP A 42 3.486 -0.231 -1.037 1.00 0.00 C ATOM 575 CZ3 TRP A 42 1.701 -0.522 0.562 1.00 0.00 C ATOM 576 CH2 TRP A 42 2.641 0.285 -0.093 1.00 0.00 C ATOM 0 H TRP A 42 3.448 -7.320 -0.699 1.00 0.00 H new ATOM 0 HA TRP A 42 2.791 -5.059 1.080 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.757 -5.618 -1.718 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.828 -4.681 -0.564 1.00 0.00 H new ATOM 0 HD1 TRP A 42 3.991 -4.479 -2.732 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.833 -2.034 -2.819 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.866 -2.484 0.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.210 0.393 -1.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.049 -0.083 1.303 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.699 1.335 0.152 1.00 0.00 H new ATOM 587 N GLU A 43 1.044 -6.441 2.138 1.00 0.00 N ATOM 588 CA GLU A 43 0.070 -7.282 2.823 1.00 0.00 C ATOM 589 C GLU A 43 -0.846 -6.443 3.709 1.00 0.00 C ATOM 590 O GLU A 43 -0.444 -5.402 4.228 1.00 0.00 O ATOM 591 CB GLU A 43 0.782 -8.342 3.666 1.00 0.00 C ATOM 592 CG GLU A 43 1.722 -9.227 2.865 1.00 0.00 C ATOM 593 CD GLU A 43 0.999 -10.357 2.159 1.00 0.00 C ATOM 594 OE1 GLU A 43 0.822 -11.427 2.777 1.00 0.00 O ATOM 595 OE2 GLU A 43 0.611 -10.171 0.986 1.00 0.00 O ATOM 0 H GLU A 43 1.372 -5.644 2.684 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.539 -7.778 2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.347 -7.847 4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.035 -8.968 4.154 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.247 -8.620 2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.478 -9.644 3.531 1.00 0.00 H new ATOM 602 N LYS A 44 -2.081 -6.904 3.877 1.00 0.00 N ATOM 603 CA LYS A 44 -3.056 -6.198 4.700 1.00 0.00 C ATOM 604 C LYS A 44 -2.992 -6.673 6.148 1.00 0.00 C ATOM 605 O LYS A 44 -3.452 -7.767 6.475 1.00 0.00 O ATOM 606 CB LYS A 44 -4.468 -6.406 4.146 1.00 0.00 C ATOM 607 CG LYS A 44 -5.546 -5.696 4.946 1.00 0.00 C ATOM 608 CD LYS A 44 -6.899 -5.786 4.261 1.00 0.00 C ATOM 609 CE LYS A 44 -7.296 -7.231 3.999 1.00 0.00 C ATOM 610 NZ LYS A 44 -6.585 -7.796 2.818 1.00 0.00 N ATOM 0 H LYS A 44 -2.430 -7.764 3.454 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.814 -5.135 4.674 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.500 -6.053 3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.687 -7.474 4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.611 -6.136 5.941 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.273 -4.649 5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.655 -5.307 4.883 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.868 -5.239 3.318 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.074 -7.834 4.879 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.372 -7.288 3.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.257 -8.330 2.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.174 -7.022 2.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.827 -8.431 3.140 1.00 0.00 H new ATOM 624 N THR A 45 -2.419 -5.842 7.014 1.00 0.00 N ATOM 625 CA THR A 45 -2.294 -6.177 8.427 1.00 0.00 C ATOM 626 C THR A 45 -3.645 -6.103 9.130 1.00 0.00 C ATOM 627 O THR A 45 -3.984 -6.971 9.933 1.00 0.00 O ATOM 628 CB THR A 45 -1.304 -5.239 9.141 1.00 0.00 C ATOM 629 OG1 THR A 45 -1.306 -3.953 8.512 1.00 0.00 O ATOM 630 CG2 THR A 45 0.103 -5.818 9.117 1.00 0.00 C ATOM 0 H THR A 45 -2.034 -4.932 6.761 1.00 0.00 H new ATOM 0 HA THR A 45 -1.916 -7.198 8.478 1.00 0.00 H new ATOM 0 HB THR A 45 -1.620 -5.136 10.179 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.383 -3.661 8.362 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.785 -5.138 9.627 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.108 -6.784 9.623 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.425 -5.948 8.084 1.00 0.00 H new ATOM 638 N GLN A 46 -4.411 -5.061 8.822 1.00 0.00 N ATOM 639 CA GLN A 46 -5.724 -4.875 9.426 1.00 0.00 C ATOM 640 C GLN A 46 -6.768 -4.537 8.366 1.00 0.00 C ATOM 641 O GLN A 46 -6.429 -4.151 7.248 1.00 0.00 O ATOM 642 CB GLN A 46 -5.672 -3.767 10.480 1.00 0.00 C ATOM 643 CG GLN A 46 -5.366 -4.273 11.880 1.00 0.00 C ATOM 644 CD GLN A 46 -5.071 -3.150 12.855 1.00 0.00 C ATOM 645 OE1 GLN A 46 -5.834 -2.189 12.962 1.00 0.00 O ATOM 646 NE2 GLN A 46 -3.960 -3.265 13.573 1.00 0.00 N ATOM 0 H GLN A 46 -4.145 -4.334 8.158 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.011 -5.810 9.907 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.914 -3.039 10.192 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.628 -3.244 10.493 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.213 -4.853 12.246 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.511 -4.948 11.840 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.357 -4.078 13.452 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.710 -2.540 14.245 1.00 0.00 H new ATOM 655 N GLY A 47 -8.039 -4.684 8.726 1.00 0.00 N ATOM 656 CA GLY A 47 -9.113 -4.390 7.795 1.00 0.00 C ATOM 657 C GLY A 47 -9.945 -5.614 7.464 1.00 0.00 C ATOM 658 O GLY A 47 -9.582 -6.744 7.791 1.00 0.00 O ATOM 0 H GLY A 47 -8.344 -5.002 9.646 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.758 -3.620 8.220 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.692 -3.982 6.876 1.00 0.00 H new ATOM 662 N PRO A 48 -11.091 -5.394 6.803 1.00 0.00 N ATOM 663 CA PRO A 48 -12.001 -6.475 6.415 1.00 0.00 C ATOM 664 C PRO A 48 -11.420 -7.355 5.314 1.00 0.00 C ATOM 665 O PRO A 48 -11.018 -6.862 4.260 1.00 0.00 O ATOM 666 CB PRO A 48 -13.239 -5.732 5.909 1.00 0.00 C ATOM 667 CG PRO A 48 -12.729 -4.405 5.464 1.00 0.00 C ATOM 668 CD PRO A 48 -11.586 -4.072 6.382 1.00 0.00 C ATOM 0 HA PRO A 48 -12.204 -7.154 7.243 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.715 -6.269 5.088 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.986 -5.626 6.696 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.398 -4.442 4.426 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.510 -3.647 5.522 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.814 -3.498 5.870 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.915 -3.476 7.233 1.00 0.00 H new ATOM 676 N ASP A 49 -11.379 -8.659 5.564 1.00 0.00 N ATOM 677 CA ASP A 49 -10.849 -9.608 4.592 1.00 0.00 C ATOM 678 C ASP A 49 -11.766 -9.712 3.378 1.00 0.00 C ATOM 679 O ASP A 49 -12.987 -9.778 3.513 1.00 0.00 O ATOM 680 CB ASP A 49 -10.675 -10.985 5.235 1.00 0.00 C ATOM 681 CG ASP A 49 -9.923 -11.951 4.340 1.00 0.00 C ATOM 682 OD1 ASP A 49 -10.421 -12.244 3.233 1.00 0.00 O ATOM 683 OD2 ASP A 49 -8.837 -12.414 4.747 1.00 0.00 O ATOM 0 H ASP A 49 -11.707 -9.083 6.432 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.876 -9.245 4.260 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.140 -10.877 6.179 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.655 -11.400 5.470 1.00 0.00 H new ATOM 688 N GLY A 50 -11.167 -9.725 2.190 1.00 0.00 N ATOM 689 CA GLY A 50 -11.945 -9.819 0.969 1.00 0.00 C ATOM 690 C GLY A 50 -11.279 -9.118 -0.198 1.00 0.00 C ATOM 691 O GLY A 50 -11.295 -9.618 -1.323 1.00 0.00 O ATOM 0 H GLY A 50 -10.158 -9.672 2.052 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.098 -10.869 0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.931 -9.384 1.135 1.00 0.00 H new ATOM 695 N VAL A 51 -10.694 -7.955 0.068 1.00 0.00 N ATOM 696 CA VAL A 51 -10.020 -7.182 -0.969 1.00 0.00 C ATOM 697 C VAL A 51 -9.081 -8.062 -1.787 1.00 0.00 C ATOM 698 O VAL A 51 -8.742 -9.172 -1.377 1.00 0.00 O ATOM 699 CB VAL A 51 -9.217 -6.015 -0.367 1.00 0.00 C ATOM 700 CG1 VAL A 51 -10.140 -5.053 0.365 1.00 0.00 C ATOM 701 CG2 VAL A 51 -8.133 -6.538 0.564 1.00 0.00 C ATOM 0 H VAL A 51 -10.673 -7.527 0.993 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.797 -6.781 -1.620 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.735 -5.472 -1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.554 -4.235 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.876 -4.653 -0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.652 -5.581 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.575 -5.699 0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.591 -7.106 1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.455 -7.184 0.006 1.00 0.00 H new ATOM 711 N GLN A 52 -8.666 -7.559 -2.945 1.00 0.00 N ATOM 712 CA GLN A 52 -7.766 -8.300 -3.820 1.00 0.00 C ATOM 713 C GLN A 52 -6.525 -7.477 -4.148 1.00 0.00 C ATOM 714 O GLN A 52 -6.615 -6.424 -4.783 1.00 0.00 O ATOM 715 CB GLN A 52 -8.487 -8.695 -5.111 1.00 0.00 C ATOM 716 CG GLN A 52 -9.613 -9.693 -4.898 1.00 0.00 C ATOM 717 CD GLN A 52 -10.346 -10.028 -6.182 1.00 0.00 C ATOM 718 OE1 GLN A 52 -9.751 -10.063 -7.259 1.00 0.00 O ATOM 719 NE2 GLN A 52 -11.646 -10.278 -6.074 1.00 0.00 N ATOM 0 H GLN A 52 -8.939 -6.642 -3.299 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.452 -9.203 -3.296 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.892 -7.798 -5.580 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.763 -9.120 -5.806 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.206 -10.608 -4.467 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.321 -9.288 -4.175 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -12.099 -10.238 -5.161 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.191 -10.510 -6.904 1.00 0.00 H new ATOM 728 N LEU A 53 -5.368 -7.961 -3.713 1.00 0.00 N ATOM 729 CA LEU A 53 -4.107 -7.270 -3.960 1.00 0.00 C ATOM 730 C LEU A 53 -3.443 -7.786 -5.232 1.00 0.00 C ATOM 731 O LEU A 53 -3.347 -8.993 -5.447 1.00 0.00 O ATOM 732 CB LEU A 53 -3.163 -7.449 -2.769 1.00 0.00 C ATOM 733 CG LEU A 53 -3.241 -6.375 -1.683 1.00 0.00 C ATOM 734 CD1 LEU A 53 -2.908 -6.967 -0.323 1.00 0.00 C ATOM 735 CD2 LEU A 53 -2.305 -5.219 -2.008 1.00 0.00 C ATOM 0 H LEU A 53 -5.276 -8.830 -3.187 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.322 -6.209 -4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.368 -8.416 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.140 -7.485 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.261 -5.992 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.968 -6.188 0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.618 -7.760 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.899 -7.378 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.374 -4.464 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.281 -5.586 -2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.590 -4.778 -2.963 1.00 0.00 H new ATOM 747 N GLU A 54 -2.986 -6.862 -6.071 1.00 0.00 N ATOM 748 CA GLU A 54 -2.330 -7.224 -7.322 1.00 0.00 C ATOM 749 C GLU A 54 -0.920 -6.644 -7.385 1.00 0.00 C ATOM 750 O GLU A 54 -0.699 -5.484 -7.038 1.00 0.00 O ATOM 751 CB GLU A 54 -3.150 -6.731 -8.516 1.00 0.00 C ATOM 752 CG GLU A 54 -4.215 -7.715 -8.971 1.00 0.00 C ATOM 753 CD GLU A 54 -5.533 -7.523 -8.247 1.00 0.00 C ATOM 754 OE1 GLU A 54 -5.529 -7.525 -6.998 1.00 0.00 O ATOM 755 OE2 GLU A 54 -6.569 -7.372 -8.929 1.00 0.00 O ATOM 0 H GLU A 54 -3.058 -5.858 -5.907 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.259 -8.311 -7.363 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.628 -5.787 -8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.477 -6.526 -9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.374 -7.603 -10.043 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.859 -8.732 -8.806 1.00 0.00 H new ATOM 762 N ASN A 55 0.030 -7.460 -7.829 1.00 0.00 N ATOM 763 CA ASN A 55 1.419 -7.029 -7.937 1.00 0.00 C ATOM 764 C ASN A 55 1.993 -6.695 -6.563 1.00 0.00 C ATOM 765 O ASN A 55 2.895 -5.867 -6.441 1.00 0.00 O ATOM 766 CB ASN A 55 1.528 -5.811 -8.857 1.00 0.00 C ATOM 767 CG ASN A 55 1.716 -6.200 -10.311 1.00 0.00 C ATOM 768 OD1 ASN A 55 2.839 -6.410 -10.768 1.00 0.00 O ATOM 769 ND2 ASN A 55 0.613 -6.297 -11.044 1.00 0.00 N ATOM 0 H ASN A 55 -0.136 -8.423 -8.120 1.00 0.00 H new ATOM 0 HA ASN A 55 1.996 -7.850 -8.363 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.628 -5.204 -8.760 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.366 -5.192 -8.538 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.676 -6.555 -12.029 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.297 -6.114 -10.622 1.00 0.00 H new ATOM 776 N ALA A 56 1.464 -7.346 -5.533 1.00 0.00 N ATOM 777 CA ALA A 56 1.925 -7.120 -4.168 1.00 0.00 C ATOM 778 C ALA A 56 3.433 -7.314 -4.059 1.00 0.00 C ATOM 779 O ALA A 56 4.084 -6.724 -3.198 1.00 0.00 O ATOM 780 CB ALA A 56 1.200 -8.050 -3.206 1.00 0.00 C ATOM 0 H ALA A 56 0.716 -8.034 -5.617 1.00 0.00 H new ATOM 0 HA ALA A 56 1.698 -6.088 -3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.554 -7.871 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.128 -7.861 -3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.399 -9.086 -3.482 1.00 0.00 H new ATOM 786 N ASN A 57 3.983 -8.146 -4.938 1.00 0.00 N ATOM 787 CA ASN A 57 5.416 -8.419 -4.939 1.00 0.00 C ATOM 788 C ASN A 57 6.160 -7.414 -5.814 1.00 0.00 C ATOM 789 O ASN A 57 7.260 -7.689 -6.294 1.00 0.00 O ATOM 790 CB ASN A 57 5.685 -9.841 -5.434 1.00 0.00 C ATOM 791 CG ASN A 57 7.053 -10.348 -5.019 1.00 0.00 C ATOM 792 OD1 ASN A 57 7.935 -10.541 -5.856 1.00 0.00 O ATOM 793 ND2 ASN A 57 7.235 -10.567 -3.722 1.00 0.00 N ATOM 0 H ASN A 57 3.458 -8.643 -5.658 1.00 0.00 H new ATOM 0 HA ASN A 57 5.780 -8.323 -3.916 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.918 -10.510 -5.043 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.606 -9.866 -6.521 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.134 -10.909 -3.384 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.475 -10.393 -3.064 1.00 0.00 H new ATOM 800 N SER A 58 5.552 -6.250 -6.017 1.00 0.00 N ATOM 801 CA SER A 58 6.155 -5.205 -6.836 1.00 0.00 C ATOM 802 C SER A 58 6.165 -3.871 -6.096 1.00 0.00 C ATOM 803 O SER A 58 5.391 -3.662 -5.162 1.00 0.00 O ATOM 804 CB SER A 58 5.397 -5.063 -8.158 1.00 0.00 C ATOM 805 OG SER A 58 5.632 -6.177 -9.002 1.00 0.00 O ATOM 0 H SER A 58 4.642 -6.007 -5.626 1.00 0.00 H new ATOM 0 HA SER A 58 7.186 -5.491 -7.045 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.329 -4.971 -7.961 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.708 -4.148 -8.663 1.00 0.00 H new ATOM 0 HG SER A 58 4.848 -6.328 -9.570 1.00 0.00 H new ATOM 811 N SER A 59 7.046 -2.972 -6.521 1.00 0.00 N ATOM 812 CA SER A 59 7.160 -1.659 -5.897 1.00 0.00 C ATOM 813 C SER A 59 5.799 -0.974 -5.822 1.00 0.00 C ATOM 814 O SER A 59 5.554 -0.150 -4.940 1.00 0.00 O ATOM 815 CB SER A 59 8.142 -0.783 -6.678 1.00 0.00 C ATOM 816 OG SER A 59 7.811 -0.750 -8.056 1.00 0.00 O ATOM 0 H SER A 59 7.692 -3.129 -7.295 1.00 0.00 H new ATOM 0 HA SER A 59 7.535 -1.797 -4.883 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.132 0.229 -6.274 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.155 -1.166 -6.553 1.00 0.00 H new ATOM 0 HG SER A 59 8.452 -0.183 -8.533 1.00 0.00 H new ATOM 822 N VAL A 60 4.916 -1.320 -6.753 1.00 0.00 N ATOM 823 CA VAL A 60 3.579 -0.741 -6.792 1.00 0.00 C ATOM 824 C VAL A 60 2.508 -1.825 -6.762 1.00 0.00 C ATOM 825 O VAL A 60 2.458 -2.686 -7.640 1.00 0.00 O ATOM 826 CB VAL A 60 3.380 0.127 -8.050 1.00 0.00 C ATOM 827 CG1 VAL A 60 1.947 0.631 -8.130 1.00 0.00 C ATOM 828 CG2 VAL A 60 4.364 1.287 -8.057 1.00 0.00 C ATOM 0 H VAL A 60 5.103 -1.999 -7.491 1.00 0.00 H new ATOM 0 HA VAL A 60 3.481 -0.113 -5.906 1.00 0.00 H new ATOM 0 HB VAL A 60 3.572 -0.488 -8.929 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.826 1.242 -9.025 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.265 -0.218 -8.175 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.722 1.231 -7.248 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.210 1.890 -8.952 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.206 1.904 -7.172 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.383 0.900 -8.052 1.00 0.00 H new ATOM 838 N ALA A 61 1.654 -1.778 -5.746 1.00 0.00 N ATOM 839 CA ALA A 61 0.582 -2.755 -5.602 1.00 0.00 C ATOM 840 C ALA A 61 -0.784 -2.102 -5.783 1.00 0.00 C ATOM 841 O ALA A 61 -0.908 -0.877 -5.750 1.00 0.00 O ATOM 842 CB ALA A 61 0.668 -3.436 -4.244 1.00 0.00 C ATOM 0 H ALA A 61 1.683 -1.073 -5.009 1.00 0.00 H new ATOM 0 HA ALA A 61 0.702 -3.507 -6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.139 -4.163 -4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.628 -3.945 -4.152 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.577 -2.689 -3.456 1.00 0.00 H new ATOM 848 N THR A 62 -1.809 -2.927 -5.974 1.00 0.00 N ATOM 849 CA THR A 62 -3.166 -2.430 -6.163 1.00 0.00 C ATOM 850 C THR A 62 -4.171 -3.267 -5.381 1.00 0.00 C ATOM 851 O THR A 62 -4.158 -4.497 -5.450 1.00 0.00 O ATOM 852 CB THR A 62 -3.562 -2.429 -7.651 1.00 0.00 C ATOM 853 OG1 THR A 62 -2.649 -1.621 -8.401 1.00 0.00 O ATOM 854 CG2 THR A 62 -4.979 -1.904 -7.833 1.00 0.00 C ATOM 0 H THR A 62 -1.725 -3.943 -6.002 1.00 0.00 H new ATOM 0 HA THR A 62 -3.183 -1.406 -5.791 1.00 0.00 H new ATOM 0 HB THR A 62 -3.521 -3.455 -8.016 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.907 -1.627 -9.346 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.237 -1.912 -8.892 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.675 -2.539 -7.285 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.041 -0.884 -7.453 1.00 0.00 H new ATOM 862 N VAL A 63 -5.045 -2.594 -4.638 1.00 0.00 N ATOM 863 CA VAL A 63 -6.059 -3.277 -3.844 1.00 0.00 C ATOM 864 C VAL A 63 -7.460 -2.975 -4.366 1.00 0.00 C ATOM 865 O VAL A 63 -7.854 -1.815 -4.485 1.00 0.00 O ATOM 866 CB VAL A 63 -5.978 -2.872 -2.361 1.00 0.00 C ATOM 867 CG1 VAL A 63 -6.901 -3.740 -1.519 1.00 0.00 C ATOM 868 CG2 VAL A 63 -4.544 -2.965 -1.862 1.00 0.00 C ATOM 0 H VAL A 63 -5.071 -1.577 -4.570 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.863 -4.346 -3.932 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.306 -1.837 -2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.830 -3.439 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.928 -3.619 -1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.607 -4.785 -1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.505 -2.675 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.187 -3.989 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.911 -2.297 -2.447 1.00 0.00 H new ATOM 878 N THR A 64 -8.210 -4.029 -4.676 1.00 0.00 N ATOM 879 CA THR A 64 -9.567 -3.877 -5.186 1.00 0.00 C ATOM 880 C THR A 64 -10.577 -4.557 -4.269 1.00 0.00 C ATOM 881 O THR A 64 -10.215 -5.386 -3.436 1.00 0.00 O ATOM 882 CB THR A 64 -9.703 -4.462 -6.604 1.00 0.00 C ATOM 883 OG1 THR A 64 -9.611 -5.890 -6.556 1.00 0.00 O ATOM 884 CG2 THR A 64 -8.623 -3.910 -7.523 1.00 0.00 C ATOM 0 H THR A 64 -7.900 -4.996 -4.583 1.00 0.00 H new ATOM 0 HA THR A 64 -9.774 -2.807 -5.221 1.00 0.00 H new ATOM 0 HB THR A 64 -10.677 -4.174 -7.000 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.700 -6.254 -7.461 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.739 -4.337 -8.519 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.714 -2.825 -7.581 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.641 -4.171 -7.128 1.00 0.00 H new ATOM 892 N GLY A 65 -11.848 -4.200 -4.428 1.00 0.00 N ATOM 893 CA GLY A 65 -12.892 -4.786 -3.608 1.00 0.00 C ATOM 894 C GLY A 65 -12.954 -4.173 -2.223 1.00 0.00 C ATOM 895 O GLY A 65 -13.256 -4.858 -1.245 1.00 0.00 O ATOM 0 H GLY A 65 -12.173 -3.515 -5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.854 -4.656 -4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.721 -5.859 -3.520 1.00 0.00 H new ATOM 899 N LEU A 66 -12.666 -2.879 -2.138 1.00 0.00 N ATOM 900 CA LEU A 66 -12.689 -2.173 -0.861 1.00 0.00 C ATOM 901 C LEU A 66 -14.090 -1.656 -0.550 1.00 0.00 C ATOM 902 O LEU A 66 -14.987 -1.724 -1.389 1.00 0.00 O ATOM 903 CB LEU A 66 -11.696 -1.009 -0.882 1.00 0.00 C ATOM 904 CG LEU A 66 -10.215 -1.389 -0.880 1.00 0.00 C ATOM 905 CD1 LEU A 66 -9.390 -0.326 -1.587 1.00 0.00 C ATOM 906 CD2 LEU A 66 -9.719 -1.594 0.544 1.00 0.00 C ATOM 0 H LEU A 66 -12.414 -2.297 -2.937 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.400 -2.876 -0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.894 -0.405 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.889 -0.377 -0.015 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.100 -2.328 -1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.339 -0.614 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.728 -0.229 -2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.510 0.628 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.663 -1.864 0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.848 -0.672 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.290 -2.393 1.017 1.00 0.00 H new ATOM 918 N GLN A 67 -14.268 -1.138 0.661 1.00 0.00 N ATOM 919 CA GLN A 67 -15.559 -0.608 1.082 1.00 0.00 C ATOM 920 C GLN A 67 -15.417 0.232 2.347 1.00 0.00 C ATOM 921 O GLN A 67 -14.425 0.124 3.068 1.00 0.00 O ATOM 922 CB GLN A 67 -16.549 -1.749 1.323 1.00 0.00 C ATOM 923 CG GLN A 67 -16.117 -2.707 2.421 1.00 0.00 C ATOM 924 CD GLN A 67 -17.126 -3.813 2.661 1.00 0.00 C ATOM 925 OE1 GLN A 67 -17.608 -3.998 3.779 1.00 0.00 O ATOM 926 NE2 GLN A 67 -17.452 -4.556 1.610 1.00 0.00 N ATOM 0 H GLN A 67 -13.535 -1.074 1.367 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.938 0.031 0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.520 -1.328 1.581 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.680 -2.307 0.396 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.156 -3.148 2.156 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -15.967 -2.150 3.346 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.028 -4.368 0.701 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -18.126 -5.315 1.711 1.00 0.00 H new ATOM 935 N VAL A 68 -16.415 1.070 2.611 1.00 0.00 N ATOM 936 CA VAL A 68 -16.401 1.929 3.789 1.00 0.00 C ATOM 937 C VAL A 68 -15.803 1.204 4.990 1.00 0.00 C ATOM 938 O VAL A 68 -16.477 0.416 5.652 1.00 0.00 O ATOM 939 CB VAL A 68 -17.819 2.411 4.149 1.00 0.00 C ATOM 940 CG1 VAL A 68 -17.787 3.283 5.395 1.00 0.00 C ATOM 941 CG2 VAL A 68 -18.439 3.161 2.979 1.00 0.00 C ATOM 0 H VAL A 68 -17.243 1.172 2.025 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.783 2.793 3.544 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.437 1.539 4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -18.798 3.614 5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -17.386 2.709 6.231 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -17.154 4.152 5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -19.441 3.495 3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.823 4.026 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -18.498 2.501 2.114 1.00 0.00 H new ATOM 951 N GLY A 69 -14.531 1.478 5.266 1.00 0.00 N ATOM 952 CA GLY A 69 -13.863 0.844 6.388 1.00 0.00 C ATOM 953 C GLY A 69 -12.425 1.300 6.538 1.00 0.00 C ATOM 954 O GLY A 69 -12.032 2.333 5.995 1.00 0.00 O ATOM 0 H GLY A 69 -13.952 2.127 4.733 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.409 1.066 7.305 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.886 -0.238 6.257 1.00 0.00 H new ATOM 958 N THR A 70 -11.636 0.529 7.281 1.00 0.00 N ATOM 959 CA THR A 70 -10.235 0.860 7.504 1.00 0.00 C ATOM 960 C THR A 70 -9.323 -0.273 7.048 1.00 0.00 C ATOM 961 O THR A 70 -9.402 -1.390 7.559 1.00 0.00 O ATOM 962 CB THR A 70 -9.958 1.160 8.989 1.00 0.00 C ATOM 963 OG1 THR A 70 -11.057 1.884 9.556 1.00 0.00 O ATOM 964 CG2 THR A 70 -8.678 1.966 9.149 1.00 0.00 C ATOM 0 H THR A 70 -11.945 -0.329 7.738 1.00 0.00 H new ATOM 0 HA THR A 70 -10.024 1.752 6.915 1.00 0.00 H new ATOM 0 HB THR A 70 -9.839 0.211 9.512 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.874 2.069 10.501 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.503 2.166 10.206 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.839 1.401 8.743 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.773 2.910 8.612 1.00 0.00 H new ATOM 972 N TYR A 71 -8.457 0.022 6.085 1.00 0.00 N ATOM 973 CA TYR A 71 -7.531 -0.973 5.558 1.00 0.00 C ATOM 974 C TYR A 71 -6.085 -0.573 5.838 1.00 0.00 C ATOM 975 O TYR A 71 -5.637 0.502 5.440 1.00 0.00 O ATOM 976 CB TYR A 71 -7.740 -1.151 4.054 1.00 0.00 C ATOM 977 CG TYR A 71 -9.120 -1.649 3.689 1.00 0.00 C ATOM 978 CD1 TYR A 71 -10.166 -0.760 3.473 1.00 0.00 C ATOM 979 CD2 TYR A 71 -9.379 -3.008 3.562 1.00 0.00 C ATOM 980 CE1 TYR A 71 -11.429 -1.210 3.140 1.00 0.00 C ATOM 981 CE2 TYR A 71 -10.639 -3.467 3.229 1.00 0.00 C ATOM 982 CZ TYR A 71 -11.660 -2.564 3.019 1.00 0.00 C ATOM 983 OH TYR A 71 -12.916 -3.018 2.688 1.00 0.00 O ATOM 0 H TYR A 71 -8.377 0.943 5.653 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.732 -1.920 6.060 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.563 -0.198 3.556 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.997 -1.852 3.673 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.988 0.301 3.567 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.582 -3.718 3.726 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.231 -0.505 2.975 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.823 -4.527 3.134 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.862 -3.956 2.410 1.00 0.00 H new ATOM 993 N VAL A 72 -5.359 -1.448 6.527 1.00 0.00 N ATOM 994 CA VAL A 72 -3.963 -1.189 6.859 1.00 0.00 C ATOM 995 C VAL A 72 -3.032 -2.115 6.084 1.00 0.00 C ATOM 996 O VAL A 72 -3.072 -3.334 6.250 1.00 0.00 O ATOM 997 CB VAL A 72 -3.704 -1.365 8.368 1.00 0.00 C ATOM 998 CG1 VAL A 72 -2.263 -1.013 8.706 1.00 0.00 C ATOM 999 CG2 VAL A 72 -4.672 -0.515 9.176 1.00 0.00 C ATOM 0 H VAL A 72 -5.714 -2.342 6.866 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.758 -0.156 6.580 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.869 -2.410 8.629 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.098 -1.143 9.776 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.589 -1.667 8.153 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.068 0.024 8.432 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.475 -0.651 10.239 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.540 0.535 8.914 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.695 -0.819 8.954 1.00 0.00 H new ATOM 1009 N PHE A 73 -2.194 -1.527 5.236 1.00 0.00 N ATOM 1010 CA PHE A 73 -1.252 -2.299 4.434 1.00 0.00 C ATOM 1011 C PHE A 73 0.186 -2.000 4.845 1.00 0.00 C ATOM 1012 O PHE A 73 0.643 -0.859 4.765 1.00 0.00 O ATOM 1013 CB PHE A 73 -1.444 -1.992 2.947 1.00 0.00 C ATOM 1014 CG PHE A 73 -2.849 -2.219 2.465 1.00 0.00 C ATOM 1015 CD1 PHE A 73 -3.256 -3.475 2.045 1.00 0.00 C ATOM 1016 CD2 PHE A 73 -3.761 -1.177 2.430 1.00 0.00 C ATOM 1017 CE1 PHE A 73 -4.547 -3.688 1.600 1.00 0.00 C ATOM 1018 CE2 PHE A 73 -5.053 -1.383 1.987 1.00 0.00 C ATOM 1019 CZ PHE A 73 -5.447 -2.640 1.571 1.00 0.00 C ATOM 0 H PHE A 73 -2.148 -0.519 5.087 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.448 -3.357 4.608 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.167 -0.955 2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.764 -2.614 2.365 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.556 -4.297 2.066 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.458 -0.192 2.753 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.852 -4.672 1.275 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.755 -0.562 1.966 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.457 -2.803 1.224 1.00 0.00 H new ATOM 1029 N THR A 74 0.897 -3.033 5.287 1.00 0.00 N ATOM 1030 CA THR A 74 2.282 -2.881 5.713 1.00 0.00 C ATOM 1031 C THR A 74 3.246 -3.252 4.591 1.00 0.00 C ATOM 1032 O THR A 74 3.355 -4.419 4.213 1.00 0.00 O ATOM 1033 CB THR A 74 2.589 -3.751 6.946 1.00 0.00 C ATOM 1034 OG1 THR A 74 1.970 -3.189 8.109 1.00 0.00 O ATOM 1035 CG2 THR A 74 4.090 -3.864 7.169 1.00 0.00 C ATOM 0 H THR A 74 0.536 -3.984 5.359 1.00 0.00 H new ATOM 0 HA THR A 74 2.419 -1.832 5.974 1.00 0.00 H new ATOM 0 HB THR A 74 2.188 -4.749 6.768 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.296 -3.652 8.909 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.282 -4.483 8.045 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.555 -4.319 6.294 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.510 -2.871 7.327 1.00 0.00 H new ATOM 1043 N LEU A 75 3.943 -2.253 4.063 1.00 0.00 N ATOM 1044 CA LEU A 75 4.900 -2.474 2.984 1.00 0.00 C ATOM 1045 C LEU A 75 6.233 -2.973 3.532 1.00 0.00 C ATOM 1046 O LEU A 75 7.011 -2.205 4.099 1.00 0.00 O ATOM 1047 CB LEU A 75 5.112 -1.183 2.192 1.00 0.00 C ATOM 1048 CG LEU A 75 6.441 -1.065 1.444 1.00 0.00 C ATOM 1049 CD1 LEU A 75 6.581 -2.186 0.426 1.00 0.00 C ATOM 1050 CD2 LEU A 75 6.552 0.292 0.764 1.00 0.00 C ATOM 0 H LEU A 75 3.864 -1.282 4.364 1.00 0.00 H new ATOM 0 HA LEU A 75 4.493 -3.237 2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.302 -1.086 1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.029 -0.341 2.879 1.00 0.00 H new ATOM 0 HG LEU A 75 7.252 -1.154 2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.532 -2.086 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.547 -3.148 0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.764 -2.128 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.504 0.358 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.734 0.411 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.497 1.081 1.514 1.00 0.00 H new ATOM 1062 N THR A 76 6.492 -4.265 3.357 1.00 0.00 N ATOM 1063 CA THR A 76 7.731 -4.867 3.833 1.00 0.00 C ATOM 1064 C THR A 76 8.807 -4.836 2.753 1.00 0.00 C ATOM 1065 O THR A 76 8.639 -5.412 1.678 1.00 0.00 O ATOM 1066 CB THR A 76 7.512 -6.325 4.281 1.00 0.00 C ATOM 1067 OG1 THR A 76 6.217 -6.465 4.876 1.00 0.00 O ATOM 1068 CG2 THR A 76 8.581 -6.751 5.276 1.00 0.00 C ATOM 0 H THR A 76 5.860 -4.915 2.889 1.00 0.00 H new ATOM 0 HA THR A 76 8.061 -4.277 4.689 1.00 0.00 H new ATOM 0 HB THR A 76 7.579 -6.966 3.402 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.144 -7.346 5.298 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.406 -7.784 5.578 1.00 0.00 H new ATOM 0 HG22 THR A 76 9.564 -6.670 4.811 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.540 -6.105 6.153 1.00 0.00 H new ATOM 1076 N VAL A 77 9.914 -4.161 3.047 1.00 0.00 N ATOM 1077 CA VAL A 77 11.019 -4.056 2.101 1.00 0.00 C ATOM 1078 C VAL A 77 12.328 -4.517 2.733 1.00 0.00 C ATOM 1079 O VAL A 77 12.460 -4.559 3.956 1.00 0.00 O ATOM 1080 CB VAL A 77 11.188 -2.612 1.593 1.00 0.00 C ATOM 1081 CG1 VAL A 77 10.085 -2.261 0.606 1.00 0.00 C ATOM 1082 CG2 VAL A 77 11.202 -1.635 2.759 1.00 0.00 C ATOM 0 H VAL A 77 10.069 -3.679 3.932 1.00 0.00 H new ATOM 0 HA VAL A 77 10.777 -4.704 1.258 1.00 0.00 H new ATOM 0 HB VAL A 77 12.144 -2.537 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.221 -1.237 0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.127 -2.942 -0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.116 -2.352 1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.322 -0.620 2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.263 -1.709 3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.031 -1.875 3.425 1.00 0.00 H new ATOM 1092 N LYS A 78 13.295 -4.863 1.890 1.00 0.00 N ATOM 1093 CA LYS A 78 14.596 -5.320 2.364 1.00 0.00 C ATOM 1094 C LYS A 78 15.709 -4.856 1.430 1.00 0.00 C ATOM 1095 O LYS A 78 15.610 -5.000 0.211 1.00 0.00 O ATOM 1096 CB LYS A 78 14.614 -6.847 2.476 1.00 0.00 C ATOM 1097 CG LYS A 78 14.216 -7.360 3.849 1.00 0.00 C ATOM 1098 CD LYS A 78 13.864 -8.838 3.811 1.00 0.00 C ATOM 1099 CE LYS A 78 12.384 -9.051 3.533 1.00 0.00 C ATOM 1100 NZ LYS A 78 11.575 -9.026 4.784 1.00 0.00 N ATOM 0 H LYS A 78 13.202 -4.836 0.875 1.00 0.00 H new ATOM 0 HA LYS A 78 14.768 -4.887 3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 78 13.938 -7.266 1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.614 -7.209 2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.034 -7.198 4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.363 -6.791 4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.455 -9.334 3.041 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.127 -9.300 4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.027 -8.277 2.854 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.243 -10.007 3.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.572 -9.175 4.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.898 -9.781 5.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.689 -8.105 5.253 1.00 0.00 H new ATOM 1114 N ASP A 79 16.768 -4.300 2.009 1.00 0.00 N ATOM 1115 CA ASP A 79 17.901 -3.817 1.229 1.00 0.00 C ATOM 1116 C ASP A 79 18.906 -4.937 0.980 1.00 0.00 C ATOM 1117 O ASP A 79 18.687 -6.080 1.379 1.00 0.00 O ATOM 1118 CB ASP A 79 18.583 -2.653 1.948 1.00 0.00 C ATOM 1119 CG ASP A 79 17.975 -1.312 1.585 1.00 0.00 C ATOM 1120 OD1 ASP A 79 18.374 -0.739 0.549 1.00 0.00 O ATOM 1121 OD2 ASP A 79 17.099 -0.836 2.336 1.00 0.00 O ATOM 0 H ASP A 79 16.865 -4.173 3.016 1.00 0.00 H new ATOM 0 HA ASP A 79 17.526 -3.469 0.266 1.00 0.00 H new ATOM 0 HB2 ASP A 79 18.510 -2.802 3.025 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.644 -2.647 1.698 1.00 0.00 H new ATOM 1126 N GLU A 80 20.009 -4.600 0.318 1.00 0.00 N ATOM 1127 CA GLU A 80 21.047 -5.578 0.015 1.00 0.00 C ATOM 1128 C GLU A 80 21.602 -6.196 1.295 1.00 0.00 C ATOM 1129 O GLU A 80 22.112 -7.317 1.286 1.00 0.00 O ATOM 1130 CB GLU A 80 22.178 -4.925 -0.781 1.00 0.00 C ATOM 1131 CG GLU A 80 23.155 -5.922 -1.381 1.00 0.00 C ATOM 1132 CD GLU A 80 22.478 -6.924 -2.296 1.00 0.00 C ATOM 1133 OE1 GLU A 80 21.499 -6.542 -2.971 1.00 0.00 O ATOM 1134 OE2 GLU A 80 22.926 -8.088 -2.337 1.00 0.00 O ATOM 0 H GLU A 80 20.206 -3.657 -0.018 1.00 0.00 H new ATOM 0 HA GLU A 80 20.600 -6.370 -0.586 1.00 0.00 H new ATOM 0 HB2 GLU A 80 21.747 -4.324 -1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 80 22.723 -4.243 -0.129 1.00 0.00 H new ATOM 0 HG2 GLU A 80 23.920 -5.384 -1.941 1.00 0.00 H new ATOM 0 HG3 GLU A 80 23.664 -6.455 -0.578 1.00 0.00 H new ATOM 1141 N ARG A 81 21.500 -5.457 2.395 1.00 0.00 N ATOM 1142 CA ARG A 81 21.993 -5.930 3.683 1.00 0.00 C ATOM 1143 C ARG A 81 20.907 -6.695 4.433 1.00 0.00 C ATOM 1144 O ARG A 81 20.893 -6.726 5.663 1.00 0.00 O ATOM 1145 CB ARG A 81 22.481 -4.754 4.530 1.00 0.00 C ATOM 1146 CG ARG A 81 23.946 -4.413 4.311 1.00 0.00 C ATOM 1147 CD ARG A 81 24.847 -5.191 5.258 1.00 0.00 C ATOM 1148 NE ARG A 81 25.051 -4.488 6.522 1.00 0.00 N ATOM 1149 CZ ARG A 81 25.917 -4.879 7.449 1.00 0.00 C ATOM 1150 NH1 ARG A 81 26.656 -5.963 7.255 1.00 0.00 N ATOM 1151 NH2 ARG A 81 26.046 -4.187 8.573 1.00 0.00 N ATOM 0 H ARG A 81 21.080 -4.528 2.420 1.00 0.00 H new ATOM 0 HA ARG A 81 22.828 -6.606 3.498 1.00 0.00 H new ATOM 0 HB2 ARG A 81 21.875 -3.877 4.303 1.00 0.00 H new ATOM 0 HB3 ARG A 81 22.324 -4.986 5.583 1.00 0.00 H new ATOM 0 HG2 ARG A 81 24.222 -4.635 3.280 1.00 0.00 H new ATOM 0 HG3 ARG A 81 24.098 -3.344 4.459 1.00 0.00 H new ATOM 0 HD2 ARG A 81 24.408 -6.169 5.454 1.00 0.00 H new ATOM 0 HD3 ARG A 81 25.811 -5.364 4.780 1.00 0.00 H new ATOM 0 HE ARG A 81 24.497 -3.650 6.702 1.00 0.00 H new ATOM 0 HH11 ARG A 81 26.560 -6.498 6.392 1.00 0.00 H new ATOM 0 HH12 ARG A 81 27.321 -6.261 7.969 1.00 0.00 H new ATOM 0 HH21 ARG A 81 25.479 -3.353 8.726 1.00 0.00 H new ATOM 0 HH22 ARG A 81 26.712 -4.489 9.284 1.00 0.00 H new ATOM 1165 N ASN A 82 19.998 -7.310 3.684 1.00 0.00 N ATOM 1166 CA ASN A 82 18.907 -8.074 4.278 1.00 0.00 C ATOM 1167 C ASN A 82 18.260 -7.299 5.422 1.00 0.00 C ATOM 1168 O ASN A 82 17.680 -7.887 6.335 1.00 0.00 O ATOM 1169 CB ASN A 82 19.419 -9.423 4.787 1.00 0.00 C ATOM 1170 CG ASN A 82 18.294 -10.402 5.061 1.00 0.00 C ATOM 1171 OD1 ASN A 82 17.244 -10.355 4.420 1.00 0.00 O ATOM 1172 ND2 ASN A 82 18.509 -11.297 6.019 1.00 0.00 N ATOM 0 H ASN A 82 19.995 -7.294 2.664 1.00 0.00 H new ATOM 0 HA ASN A 82 18.155 -8.245 3.507 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.099 -9.852 4.051 1.00 0.00 H new ATOM 0 HB3 ASN A 82 19.994 -9.269 5.700 1.00 0.00 H new ATOM 0 HD21 ASN A 82 17.788 -11.982 6.248 1.00 0.00 H new ATOM 0 HD22 ASN A 82 19.395 -11.300 6.525 1.00 0.00 H new ATOM 1179 N LEU A 83 18.364 -5.976 5.365 1.00 0.00 N ATOM 1180 CA LEU A 83 17.788 -5.118 6.396 1.00 0.00 C ATOM 1181 C LEU A 83 16.265 -5.184 6.370 1.00 0.00 C ATOM 1182 O LEU A 83 15.638 -4.871 5.359 1.00 0.00 O ATOM 1183 CB LEU A 83 18.251 -3.673 6.202 1.00 0.00 C ATOM 1184 CG LEU A 83 19.763 -3.446 6.211 1.00 0.00 C ATOM 1185 CD1 LEU A 83 20.106 -2.108 5.575 1.00 0.00 C ATOM 1186 CD2 LEU A 83 20.305 -3.518 7.631 1.00 0.00 C ATOM 0 H LEU A 83 18.841 -5.474 4.617 1.00 0.00 H new ATOM 0 HA LEU A 83 18.132 -5.476 7.366 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.855 -3.310 5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.807 -3.062 6.988 1.00 0.00 H new ATOM 0 HG LEU A 83 20.233 -4.235 5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 83 21.186 -1.964 5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 83 19.753 -2.094 4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.625 -1.305 6.134 1.00 0.00 H new ATOM 0 HD21 LEU A 83 21.383 -3.354 7.618 1.00 0.00 H new ATOM 0 HD22 LEU A 83 19.829 -2.751 8.242 1.00 0.00 H new ATOM 0 HD23 LEU A 83 20.093 -4.501 8.052 1.00 0.00 H new ATOM 1198 N GLN A 84 15.676 -5.591 7.491 1.00 0.00 N ATOM 1199 CA GLN A 84 14.226 -5.695 7.597 1.00 0.00 C ATOM 1200 C GLN A 84 13.614 -4.365 8.022 1.00 0.00 C ATOM 1201 O GLN A 84 13.911 -3.850 9.100 1.00 0.00 O ATOM 1202 CB GLN A 84 13.844 -6.789 8.596 1.00 0.00 C ATOM 1203 CG GLN A 84 12.414 -7.281 8.442 1.00 0.00 C ATOM 1204 CD GLN A 84 11.817 -7.758 9.751 1.00 0.00 C ATOM 1205 OE1 GLN A 84 12.539 -8.080 10.695 1.00 0.00 O ATOM 1206 NE2 GLN A 84 10.492 -7.806 9.815 1.00 0.00 N ATOM 0 H GLN A 84 16.181 -5.854 8.337 1.00 0.00 H new ATOM 0 HA GLN A 84 13.833 -5.957 6.615 1.00 0.00 H new ATOM 0 HB2 GLN A 84 14.524 -7.632 8.477 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.982 -6.409 9.608 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.799 -6.477 8.038 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.390 -8.095 7.718 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.932 -7.530 9.008 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.034 -8.119 10.671 1.00 0.00 H new ATOM 1215 N SER A 85 12.758 -3.813 7.168 1.00 0.00 N ATOM 1216 CA SER A 85 12.107 -2.540 7.454 1.00 0.00 C ATOM 1217 C SER A 85 10.829 -2.387 6.634 1.00 0.00 C ATOM 1218 O SER A 85 10.860 -2.430 5.405 1.00 0.00 O ATOM 1219 CB SER A 85 13.058 -1.379 7.159 1.00 0.00 C ATOM 1220 OG SER A 85 13.601 -1.483 5.854 1.00 0.00 O ATOM 0 H SER A 85 12.499 -4.227 6.273 1.00 0.00 H new ATOM 0 HA SER A 85 11.843 -2.524 8.512 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.525 -0.434 7.260 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.865 -1.370 7.892 1.00 0.00 H new ATOM 0 HG SER A 85 14.204 -0.728 5.690 1.00 0.00 H new ATOM 1226 N GLN A 86 9.708 -2.208 7.325 1.00 0.00 N ATOM 1227 CA GLN A 86 8.420 -2.049 6.661 1.00 0.00 C ATOM 1228 C GLN A 86 7.703 -0.797 7.157 1.00 0.00 C ATOM 1229 O GLN A 86 8.100 -0.196 8.154 1.00 0.00 O ATOM 1230 CB GLN A 86 7.544 -3.280 6.900 1.00 0.00 C ATOM 1231 CG GLN A 86 7.019 -3.387 8.323 1.00 0.00 C ATOM 1232 CD GLN A 86 6.811 -4.823 8.762 1.00 0.00 C ATOM 1233 OE1 GLN A 86 5.836 -5.468 8.374 1.00 0.00 O ATOM 1234 NE2 GLN A 86 7.728 -5.333 9.575 1.00 0.00 N ATOM 0 H GLN A 86 9.666 -2.169 8.343 1.00 0.00 H new ATOM 0 HA GLN A 86 8.602 -1.943 5.592 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.700 -3.254 6.211 1.00 0.00 H new ATOM 0 HB3 GLN A 86 8.119 -4.176 6.666 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.720 -2.901 9.002 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.075 -2.847 8.399 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.520 -4.763 9.872 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.641 -6.295 9.903 1.00 0.00 H new ATOM 1243 N SER A 87 6.644 -0.409 6.452 1.00 0.00 N ATOM 1244 CA SER A 87 5.874 0.774 6.818 1.00 0.00 C ATOM 1245 C SER A 87 4.382 0.538 6.605 1.00 0.00 C ATOM 1246 O SER A 87 3.965 0.030 5.564 1.00 0.00 O ATOM 1247 CB SER A 87 6.334 1.981 5.997 1.00 0.00 C ATOM 1248 OG SER A 87 5.679 2.022 4.741 1.00 0.00 O ATOM 0 H SER A 87 6.300 -0.897 5.625 1.00 0.00 H new ATOM 0 HA SER A 87 6.044 0.976 7.875 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.129 2.899 6.548 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.413 1.933 5.847 1.00 0.00 H new ATOM 0 HG SER A 87 5.819 2.899 4.328 1.00 0.00 H new ATOM 1254 N SER A 88 3.583 0.910 7.600 1.00 0.00 N ATOM 1255 CA SER A 88 2.137 0.736 7.524 1.00 0.00 C ATOM 1256 C SER A 88 1.453 2.042 7.131 1.00 0.00 C ATOM 1257 O SER A 88 1.884 3.125 7.525 1.00 0.00 O ATOM 1258 CB SER A 88 1.591 0.245 8.867 1.00 0.00 C ATOM 1259 OG SER A 88 2.151 0.977 9.943 1.00 0.00 O ATOM 0 H SER A 88 3.912 1.333 8.468 1.00 0.00 H new ATOM 0 HA SER A 88 1.924 -0.010 6.758 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.506 0.345 8.881 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.815 -0.815 8.989 1.00 0.00 H new ATOM 0 HG SER A 88 1.785 0.646 10.790 1.00 0.00 H new ATOM 1265 N VAL A 89 0.382 1.929 6.350 1.00 0.00 N ATOM 1266 CA VAL A 89 -0.364 3.099 5.903 1.00 0.00 C ATOM 1267 C VAL A 89 -1.856 2.933 6.167 1.00 0.00 C ATOM 1268 O VAL A 89 -2.397 1.834 6.056 1.00 0.00 O ATOM 1269 CB VAL A 89 -0.145 3.364 4.402 1.00 0.00 C ATOM 1270 CG1 VAL A 89 -0.617 2.177 3.576 1.00 0.00 C ATOM 1271 CG2 VAL A 89 -0.860 4.638 3.976 1.00 0.00 C ATOM 0 H VAL A 89 0.012 1.039 6.014 1.00 0.00 H new ATOM 0 HA VAL A 89 0.010 3.950 6.473 1.00 0.00 H new ATOM 0 HB VAL A 89 0.922 3.497 4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.454 2.382 2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.056 1.288 3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.679 2.009 3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.694 4.810 2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.929 4.536 4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.470 5.482 4.545 1.00 0.00 H new ATOM 1281 N ASN A 90 -2.516 4.033 6.516 1.00 0.00 N ATOM 1282 CA ASN A 90 -3.947 4.009 6.795 1.00 0.00 C ATOM 1283 C ASN A 90 -4.751 4.347 5.544 1.00 0.00 C ATOM 1284 O ASN A 90 -4.593 5.420 4.961 1.00 0.00 O ATOM 1285 CB ASN A 90 -4.286 4.996 7.914 1.00 0.00 C ATOM 1286 CG ASN A 90 -4.042 4.413 9.293 1.00 0.00 C ATOM 1287 OD1 ASN A 90 -3.574 3.283 9.427 1.00 0.00 O ATOM 1288 ND2 ASN A 90 -4.361 5.184 10.326 1.00 0.00 N ATOM 0 H ASN A 90 -2.083 4.951 6.612 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.212 3.001 7.115 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.687 5.898 7.793 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -5.331 5.294 7.828 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.220 4.845 11.278 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.747 6.115 10.168 1.00 0.00 H new ATOM 1295 N VAL A 91 -5.616 3.423 5.135 1.00 0.00 N ATOM 1296 CA VAL A 91 -6.447 3.622 3.954 1.00 0.00 C ATOM 1297 C VAL A 91 -7.919 3.739 4.331 1.00 0.00 C ATOM 1298 O VAL A 91 -8.571 2.743 4.643 1.00 0.00 O ATOM 1299 CB VAL A 91 -6.276 2.470 2.947 1.00 0.00 C ATOM 1300 CG1 VAL A 91 -7.064 2.750 1.676 1.00 0.00 C ATOM 1301 CG2 VAL A 91 -4.804 2.250 2.633 1.00 0.00 C ATOM 0 H VAL A 91 -5.759 2.529 5.605 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.119 4.552 3.490 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.668 1.558 3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.931 1.925 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.122 2.853 1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.705 3.673 1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.702 1.432 1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.384 3.160 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.270 2.000 3.550 1.00 0.00 H new ATOM 1311 N ILE A 92 -8.437 4.963 4.300 1.00 0.00 N ATOM 1312 CA ILE A 92 -9.833 5.210 4.638 1.00 0.00 C ATOM 1313 C ILE A 92 -10.693 5.304 3.382 1.00 0.00 C ATOM 1314 O ILE A 92 -10.306 5.934 2.397 1.00 0.00 O ATOM 1315 CB ILE A 92 -9.994 6.504 5.456 1.00 0.00 C ATOM 1316 CG1 ILE A 92 -9.215 6.404 6.769 1.00 0.00 C ATOM 1317 CG2 ILE A 92 -11.466 6.780 5.727 1.00 0.00 C ATOM 1318 CD1 ILE A 92 -8.720 7.739 7.281 1.00 0.00 C ATOM 0 H ILE A 92 -7.911 5.798 4.044 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.166 4.366 5.242 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.589 7.334 4.878 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.852 5.947 7.526 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.363 5.740 6.627 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.563 7.698 6.306 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -11.996 6.890 4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -11.895 5.950 6.288 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.177 7.592 8.214 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.057 8.189 6.542 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.569 8.399 7.456 1.00 0.00 H new ATOM 1330 N VAL A 93 -11.864 4.676 3.424 1.00 0.00 N ATOM 1331 CA VAL A 93 -12.781 4.692 2.292 1.00 0.00 C ATOM 1332 C VAL A 93 -14.104 5.351 2.665 1.00 0.00 C ATOM 1333 O VAL A 93 -14.871 4.819 3.468 1.00 0.00 O ATOM 1334 CB VAL A 93 -13.058 3.268 1.774 1.00 0.00 C ATOM 1335 CG1 VAL A 93 -14.105 3.295 0.671 1.00 0.00 C ATOM 1336 CG2 VAL A 93 -11.772 2.620 1.284 1.00 0.00 C ATOM 0 H VAL A 93 -12.199 4.150 4.231 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.300 5.271 1.504 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.448 2.670 2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.287 2.280 0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -15.032 3.716 1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.747 3.908 -0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.986 1.615 0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.350 3.215 0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.057 2.565 2.105 1.00 0.00 H new ATOM 1346 N LYS A 94 -14.366 6.513 2.077 1.00 0.00 N ATOM 1347 CA LYS A 94 -15.598 7.247 2.345 1.00 0.00 C ATOM 1348 C LYS A 94 -16.634 6.986 1.256 1.00 0.00 C ATOM 1349 O LYS A 94 -16.316 6.434 0.204 1.00 0.00 O ATOM 1350 CB LYS A 94 -15.311 8.747 2.442 1.00 0.00 C ATOM 1351 CG LYS A 94 -14.858 9.191 3.822 1.00 0.00 C ATOM 1352 CD LYS A 94 -13.929 10.391 3.745 1.00 0.00 C ATOM 1353 CE LYS A 94 -13.319 10.711 5.101 1.00 0.00 C ATOM 1354 NZ LYS A 94 -14.249 11.500 5.955 1.00 0.00 N ATOM 0 H LYS A 94 -13.741 6.968 1.411 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.000 6.898 3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -14.543 9.009 1.715 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.210 9.299 2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.728 9.442 4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -14.349 8.367 4.321 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.135 10.192 3.025 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -14.481 11.257 3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.058 9.783 5.610 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.393 11.269 4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.797 11.698 6.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.479 12.397 5.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.122 10.957 6.111 1.00 0.00 H new ATOM 1368 N GLU A 95 -17.874 7.389 1.517 1.00 0.00 N ATOM 1369 CA GLU A 95 -18.956 7.199 0.559 1.00 0.00 C ATOM 1370 C GLU A 95 -18.993 8.340 -0.453 1.00 0.00 C ATOM 1371 O GLU A 95 -18.359 9.376 -0.258 1.00 0.00 O ATOM 1372 CB GLU A 95 -20.299 7.102 1.285 1.00 0.00 C ATOM 1373 CG GLU A 95 -20.377 5.948 2.270 1.00 0.00 C ATOM 1374 CD GLU A 95 -21.479 6.129 3.295 1.00 0.00 C ATOM 1375 OE1 GLU A 95 -22.622 5.706 3.020 1.00 0.00 O ATOM 1376 OE2 GLU A 95 -21.199 6.694 4.373 1.00 0.00 O ATOM 0 H GLU A 95 -18.153 7.849 2.384 1.00 0.00 H new ATOM 0 HA GLU A 95 -18.773 6.267 0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -20.483 8.035 1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.094 6.993 0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.543 5.020 1.724 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -19.421 5.849 2.784 1.00 0.00 H new