USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 760 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 44 MET CE :methyl -147:sc= 0 (180deg=0) USER MOD Set 1.2: A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 68 GLN : amide:sc= -7.15! C(o=-7.2!,f=-6.2!) USER MOD Set 2.1: A 14 HIS : no HE2:sc= -0.32 K(o=0.94,f=-7.4!) USER MOD Set 2.2: A 98 SER OG : rot 18:sc= 1.26 USER MOD Single : A 10 HIS : no HD1:sc= -0.561 X(o=-0.56,f=-0.078) USER MOD Single : A 12 MET CE :methyl 168:sc= 0 (180deg=-0.155) USER MOD Single : A 21 SER OG : rot -18:sc= 0.305 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.25 K(o=-1.2,f=-4.6!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -171:sc= 0 (180deg=-0.142) USER MOD Single : A 41 HIS : no HD1:sc= -0.985 K(o=-0.98,f=-2.8!) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00558 X(o=-0.0056,f=-0.11) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 44:sc= 0.289 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0228 USER MOD Single : A 57 ASN : amide:sc= -0.061 K(o=-0.061,f=-1) USER MOD Single : A 58 GLN : amide:sc= -1.28 K(o=-1.3,f=-1.9) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0062 USER MOD Single : A 71 CYS SG : rot 180:sc=-0.00085 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.307 USER MOD Single : A 75 MET CE :methyl -159:sc= 0 (180deg=-0.202) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -32:sc=-0.00121 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00336) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 7 6.636 -8.888 -13.083 1.00 0.00 N ATOM 106 CA ILE A 7 6.236 -7.550 -12.603 1.00 0.00 C ATOM 107 C ILE A 7 5.130 -7.696 -11.544 1.00 0.00 C ATOM 108 O ILE A 7 3.981 -7.273 -11.660 1.00 0.00 O ATOM 109 CB ILE A 7 5.951 -6.561 -13.770 1.00 0.00 C ATOM 110 CG1 ILE A 7 6.359 -5.124 -13.403 1.00 0.00 C ATOM 111 CG2 ILE A 7 4.551 -6.572 -14.412 1.00 0.00 C ATOM 112 CD1 ILE A 7 5.653 -4.464 -12.208 1.00 0.00 C ATOM 0 HA ILE A 7 7.070 -7.068 -12.093 1.00 0.00 H new ATOM 0 HB ILE A 7 6.587 -6.963 -14.559 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.431 -5.120 -13.203 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.196 -4.495 -14.278 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.510 -5.829 -15.208 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.349 -7.560 -14.827 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.802 -6.336 -13.656 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.041 -3.455 -12.068 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.581 -4.417 -12.400 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.835 -5.051 -11.308 1.00 0.00 H new ATOM 124 N LEU A 8 5.510 -8.409 -10.496 1.00 0.00 N ATOM 125 CA LEU A 8 4.632 -8.566 -9.329 1.00 0.00 C ATOM 126 C LEU A 8 4.319 -7.196 -8.711 1.00 0.00 C ATOM 127 O LEU A 8 4.937 -6.174 -9.017 1.00 0.00 O ATOM 128 CB LEU A 8 5.255 -9.506 -8.295 1.00 0.00 C ATOM 129 CG LEU A 8 5.671 -10.883 -8.834 1.00 0.00 C ATOM 130 CD1 LEU A 8 6.050 -11.741 -7.632 1.00 0.00 C ATOM 131 CD2 LEU A 8 4.623 -11.586 -9.711 1.00 0.00 C ATOM 0 H LEU A 8 6.408 -8.886 -10.421 1.00 0.00 H new ATOM 0 HA LEU A 8 3.696 -9.016 -9.661 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.132 -9.020 -7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.543 -9.651 -7.483 1.00 0.00 H new ATOM 0 HG LEU A 8 6.511 -10.735 -9.512 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.353 -12.731 -7.973 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.876 -11.273 -7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.192 -11.833 -6.966 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.012 -12.549 -10.041 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.711 -11.741 -9.134 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.402 -10.967 -10.580 1.00 0.00 H new ATOM 143 N TRP A 9 3.375 -7.212 -7.789 1.00 0.00 N ATOM 144 CA TRP A 9 2.974 -5.973 -7.117 1.00 0.00 C ATOM 145 C TRP A 9 3.888 -5.628 -5.944 1.00 0.00 C ATOM 146 O TRP A 9 4.260 -4.477 -5.803 1.00 0.00 O ATOM 147 CB TRP A 9 1.519 -6.051 -6.690 1.00 0.00 C ATOM 148 CG TRP A 9 0.556 -6.107 -7.868 1.00 0.00 C ATOM 149 CD1 TRP A 9 0.642 -5.402 -8.995 1.00 0.00 C ATOM 150 CD2 TRP A 9 -0.613 -6.832 -7.902 1.00 0.00 C ATOM 151 NE1 TRP A 9 -0.430 -5.651 -9.742 1.00 0.00 N ATOM 152 CE2 TRP A 9 -1.217 -6.518 -9.117 1.00 0.00 C ATOM 153 CE3 TRP A 9 -1.256 -7.650 -6.980 1.00 0.00 C ATOM 154 CZ2 TRP A 9 -2.467 -7.037 -9.409 1.00 0.00 C ATOM 155 CZ3 TRP A 9 -2.521 -8.152 -7.266 1.00 0.00 C ATOM 156 CH2 TRP A 9 -3.122 -7.840 -8.477 1.00 0.00 C ATOM 0 H TRP A 9 2.875 -8.048 -7.487 1.00 0.00 H new ATOM 0 HA TRP A 9 3.078 -5.159 -7.834 1.00 0.00 H new ATOM 0 HB2 TRP A 9 1.375 -6.935 -6.068 1.00 0.00 H new ATOM 0 HB3 TRP A 9 1.280 -5.185 -6.073 1.00 0.00 H new ATOM 0 HD1 TRP A 9 1.451 -4.737 -9.259 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -0.618 -5.239 -10.656 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -0.775 -7.895 -6.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -2.934 -6.820 -10.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -3.032 -8.780 -6.551 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -4.107 -8.223 -8.700 1.00 0.00 H new ATOM 167 N HIS A 10 4.338 -6.632 -5.185 1.00 0.00 N ATOM 168 CA HIS A 10 5.301 -6.455 -4.066 1.00 0.00 C ATOM 169 C HIS A 10 6.520 -5.588 -4.460 1.00 0.00 C ATOM 170 O HIS A 10 6.931 -4.705 -3.714 1.00 0.00 O ATOM 171 CB HIS A 10 5.653 -7.860 -3.548 1.00 0.00 C ATOM 172 CG HIS A 10 7.136 -8.158 -3.215 1.00 0.00 C ATOM 173 ND1 HIS A 10 7.673 -8.313 -2.016 1.00 0.00 N ATOM 174 CD2 HIS A 10 8.098 -8.257 -4.119 1.00 0.00 C ATOM 175 CE1 HIS A 10 8.997 -8.460 -2.178 1.00 0.00 C ATOM 176 NE2 HIS A 10 9.246 -8.440 -3.477 1.00 0.00 N ATOM 0 H HIS A 10 4.049 -7.601 -5.321 1.00 0.00 H new ATOM 0 HA HIS A 10 4.853 -5.883 -3.253 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.065 -8.042 -2.648 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.326 -8.584 -4.295 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.971 -8.199 -5.190 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.727 -8.574 -1.390 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.163 -8.547 -3.911 1.00 0.00 H new ATOM 184 N GLU A 11 6.868 -5.708 -5.740 1.00 0.00 N ATOM 185 CA GLU A 11 7.980 -5.003 -6.407 1.00 0.00 C ATOM 186 C GLU A 11 7.692 -3.496 -6.476 1.00 0.00 C ATOM 187 O GLU A 11 8.360 -2.692 -5.827 1.00 0.00 O ATOM 188 CB GLU A 11 8.153 -5.578 -7.821 1.00 0.00 C ATOM 189 CG GLU A 11 8.432 -7.088 -7.859 1.00 0.00 C ATOM 190 CD GLU A 11 9.816 -7.483 -7.330 1.00 0.00 C ATOM 191 OE1 GLU A 11 10.162 -7.061 -6.208 1.00 0.00 O ATOM 192 OE2 GLU A 11 10.479 -8.249 -8.059 1.00 0.00 O ATOM 0 H GLU A 11 6.364 -6.326 -6.376 1.00 0.00 H new ATOM 0 HA GLU A 11 8.898 -5.146 -5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.251 -5.372 -8.397 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.973 -5.056 -8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.671 -7.602 -7.272 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.334 -7.439 -8.886 1.00 0.00 H new ATOM 199 N MET A 12 6.530 -3.176 -7.045 1.00 0.00 N ATOM 200 CA MET A 12 6.036 -1.791 -7.098 1.00 0.00 C ATOM 201 C MET A 12 5.604 -1.286 -5.712 1.00 0.00 C ATOM 202 O MET A 12 5.451 -0.090 -5.561 1.00 0.00 O ATOM 203 CB MET A 12 4.901 -1.588 -8.115 1.00 0.00 C ATOM 204 CG MET A 12 3.581 -2.271 -7.741 1.00 0.00 C ATOM 205 SD MET A 12 2.138 -1.761 -8.745 1.00 0.00 S ATOM 206 CE MET A 12 2.601 -2.421 -10.329 1.00 0.00 C ATOM 0 H MET A 12 5.907 -3.857 -7.479 1.00 0.00 H new ATOM 0 HA MET A 12 6.883 -1.196 -7.440 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.722 -0.519 -8.231 1.00 0.00 H new ATOM 0 HB3 MET A 12 5.228 -1.964 -9.085 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.708 -3.350 -7.835 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.367 -2.065 -6.692 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.744 -2.387 -11.002 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.414 -1.828 -10.747 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.929 -3.454 -10.211 1.00 0.00 H new ATOM 216 N TRP A 13 5.324 -2.178 -4.764 1.00 0.00 N ATOM 217 CA TRP A 13 4.931 -1.826 -3.386 1.00 0.00 C ATOM 218 C TRP A 13 6.095 -1.244 -2.583 1.00 0.00 C ATOM 219 O TRP A 13 5.922 -0.210 -1.946 1.00 0.00 O ATOM 220 CB TRP A 13 4.344 -3.024 -2.637 1.00 0.00 C ATOM 221 CG TRP A 13 2.842 -2.847 -2.385 1.00 0.00 C ATOM 222 CD1 TRP A 13 2.254 -1.827 -1.763 1.00 0.00 C ATOM 223 CD2 TRP A 13 1.846 -3.697 -2.811 1.00 0.00 C ATOM 224 NE1 TRP A 13 0.933 -1.996 -1.805 1.00 0.00 N ATOM 225 CE2 TRP A 13 0.640 -3.125 -2.428 1.00 0.00 C ATOM 226 CE3 TRP A 13 1.855 -4.904 -3.473 1.00 0.00 C ATOM 227 CZ2 TRP A 13 -0.544 -3.779 -2.720 1.00 0.00 C ATOM 228 CZ3 TRP A 13 0.672 -5.576 -3.746 1.00 0.00 C ATOM 229 CH2 TRP A 13 -0.528 -5.009 -3.381 1.00 0.00 C ATOM 0 H TRP A 13 5.362 -3.184 -4.927 1.00 0.00 H new ATOM 0 HA TRP A 13 4.162 -1.060 -3.483 1.00 0.00 H new ATOM 0 HB2 TRP A 13 4.513 -3.933 -3.214 1.00 0.00 H new ATOM 0 HB3 TRP A 13 4.861 -3.149 -1.686 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.765 -0.997 -1.299 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.248 -1.349 -1.414 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.796 -5.334 -3.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.486 -3.335 -2.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.693 -6.536 -4.241 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.456 -5.515 -3.605 1.00 0.00 H new ATOM 240 N HIS A 14 7.298 -1.760 -2.840 1.00 0.00 N ATOM 241 CA HIS A 14 8.543 -1.277 -2.206 1.00 0.00 C ATOM 242 C HIS A 14 8.713 0.242 -2.367 1.00 0.00 C ATOM 243 O HIS A 14 8.565 1.009 -1.415 1.00 0.00 O ATOM 244 CB HIS A 14 9.726 -1.990 -2.859 1.00 0.00 C ATOM 245 CG HIS A 14 10.479 -2.884 -1.876 1.00 0.00 C ATOM 246 ND1 HIS A 14 10.888 -4.105 -2.172 1.00 0.00 N ATOM 247 CD2 HIS A 14 11.021 -2.524 -0.717 1.00 0.00 C ATOM 248 CE1 HIS A 14 11.699 -4.512 -1.199 1.00 0.00 C ATOM 249 NE2 HIS A 14 11.782 -3.537 -0.305 1.00 0.00 N ATOM 0 H HIS A 14 7.445 -2.528 -3.495 1.00 0.00 H new ATOM 0 HA HIS A 14 8.496 -1.493 -1.139 1.00 0.00 H new ATOM 0 HB2 HIS A 14 9.368 -2.593 -3.694 1.00 0.00 H new ATOM 0 HB3 HIS A 14 10.411 -1.249 -3.271 1.00 0.00 H new ATOM 0 HD1 HIS A 14 10.628 -4.641 -3.000 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.872 -1.585 -0.205 1.00 0.00 H new ATOM 0 HE1 HIS A 14 12.201 -5.467 -1.147 1.00 0.00 H new ATOM 257 N GLU A 15 8.729 0.650 -3.631 1.00 0.00 N ATOM 258 CA GLU A 15 8.839 2.066 -4.016 1.00 0.00 C ATOM 259 C GLU A 15 7.481 2.764 -4.054 1.00 0.00 C ATOM 260 O GLU A 15 7.398 3.913 -3.666 1.00 0.00 O ATOM 261 CB GLU A 15 9.517 2.230 -5.373 1.00 0.00 C ATOM 262 CG GLU A 15 11.002 1.863 -5.312 1.00 0.00 C ATOM 263 CD GLU A 15 11.873 3.097 -5.549 1.00 0.00 C ATOM 264 OE1 GLU A 15 11.968 3.492 -6.732 1.00 0.00 O ATOM 265 OE2 GLU A 15 12.415 3.616 -4.551 1.00 0.00 O ATOM 0 H GLU A 15 8.666 0.012 -4.425 1.00 0.00 H new ATOM 0 HA GLU A 15 9.452 2.535 -3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.016 1.600 -6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.410 3.261 -5.711 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.235 1.428 -4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.225 1.104 -6.062 1.00 0.00 H new ATOM 272 N GLY A 16 6.414 2.071 -4.447 1.00 0.00 N ATOM 273 CA GLY A 16 5.050 2.629 -4.436 1.00 0.00 C ATOM 274 C GLY A 16 4.612 3.107 -3.046 1.00 0.00 C ATOM 275 O GLY A 16 3.967 4.145 -2.939 1.00 0.00 O ATOM 0 H GLY A 16 6.463 1.109 -4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.999 3.464 -5.135 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.350 1.873 -4.792 1.00 0.00 H new ATOM 279 N LEU A 17 5.141 2.448 -2.016 1.00 0.00 N ATOM 280 CA LEU A 17 4.984 2.899 -0.628 1.00 0.00 C ATOM 281 C LEU A 17 5.964 3.999 -0.234 1.00 0.00 C ATOM 282 O LEU A 17 5.510 4.999 0.300 1.00 0.00 O ATOM 283 CB LEU A 17 4.999 1.758 0.394 1.00 0.00 C ATOM 284 CG LEU A 17 3.572 1.330 0.755 1.00 0.00 C ATOM 285 CD1 LEU A 17 3.609 0.191 1.771 1.00 0.00 C ATOM 286 CD2 LEU A 17 2.789 2.501 1.356 1.00 0.00 C ATOM 0 H LEU A 17 5.687 1.592 -2.115 1.00 0.00 H new ATOM 0 HA LEU A 17 3.985 3.334 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.547 0.908 -0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.526 2.076 1.293 1.00 0.00 H new ATOM 0 HG LEU A 17 3.079 0.999 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.591 -0.106 2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.141 -0.660 1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.122 0.525 2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.779 2.174 1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.291 2.849 2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.739 3.315 0.633 1.00 0.00 H new ATOM 298 N GLU A 18 7.161 3.958 -0.818 1.00 0.00 N ATOM 299 CA GLU A 18 8.219 4.964 -0.607 1.00 0.00 C ATOM 300 C GLU A 18 7.873 6.278 -1.326 1.00 0.00 C ATOM 301 O GLU A 18 7.628 7.246 -0.630 1.00 0.00 O ATOM 302 CB GLU A 18 9.577 4.434 -1.080 1.00 0.00 C ATOM 303 CG GLU A 18 10.755 5.321 -0.650 1.00 0.00 C ATOM 304 CD GLU A 18 11.280 4.958 0.740 1.00 0.00 C ATOM 305 OE1 GLU A 18 12.049 3.975 0.801 1.00 0.00 O ATOM 306 OE2 GLU A 18 10.918 5.668 1.702 1.00 0.00 O ATOM 0 H GLU A 18 7.434 3.216 -1.462 1.00 0.00 H new ATOM 0 HA GLU A 18 8.284 5.165 0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.725 3.429 -0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.570 4.353 -2.167 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.562 5.226 -1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.442 6.365 -0.656 1.00 0.00 H new ATOM 313 N GLU A 19 7.562 6.240 -2.619 1.00 0.00 N ATOM 314 CA GLU A 19 7.158 7.394 -3.448 1.00 0.00 C ATOM 315 C GLU A 19 5.909 8.083 -2.872 1.00 0.00 C ATOM 316 O GLU A 19 5.854 9.307 -2.817 1.00 0.00 O ATOM 317 CB GLU A 19 6.935 6.933 -4.901 1.00 0.00 C ATOM 318 CG GLU A 19 6.403 8.016 -5.855 1.00 0.00 C ATOM 319 CD GLU A 19 7.204 9.323 -5.817 1.00 0.00 C ATOM 320 OE1 GLU A 19 8.434 9.249 -6.025 1.00 0.00 O ATOM 321 OE2 GLU A 19 6.557 10.366 -5.591 1.00 0.00 O ATOM 0 H GLU A 19 7.583 5.369 -3.150 1.00 0.00 H new ATOM 0 HA GLU A 19 7.958 8.135 -3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.879 6.556 -5.295 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.234 6.098 -4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.411 7.626 -6.873 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.364 8.230 -5.603 1.00 0.00 H new ATOM 328 N ALA A 20 4.984 7.273 -2.364 1.00 0.00 N ATOM 329 CA ALA A 20 3.804 7.772 -1.635 1.00 0.00 C ATOM 330 C ALA A 20 4.158 8.357 -0.267 1.00 0.00 C ATOM 331 O ALA A 20 3.978 9.546 -0.016 1.00 0.00 O ATOM 332 CB ALA A 20 2.794 6.653 -1.428 1.00 0.00 C ATOM 0 H ALA A 20 5.023 6.257 -2.441 1.00 0.00 H new ATOM 0 HA ALA A 20 3.381 8.566 -2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.929 7.039 -0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.475 6.267 -2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.253 5.850 -0.851 1.00 0.00 H new ATOM 338 N SER A 21 4.729 7.523 0.592 1.00 0.00 N ATOM 339 CA SER A 21 5.157 7.932 1.939 1.00 0.00 C ATOM 340 C SER A 21 6.108 9.136 1.906 1.00 0.00 C ATOM 341 O SER A 21 5.871 10.081 2.637 1.00 0.00 O ATOM 342 CB SER A 21 5.773 6.787 2.751 1.00 0.00 C ATOM 343 OG SER A 21 7.065 6.430 2.256 1.00 0.00 O ATOM 0 H SER A 21 4.912 6.542 0.382 1.00 0.00 H new ATOM 0 HA SER A 21 4.242 8.233 2.449 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.852 7.083 3.797 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.115 5.919 2.714 1.00 0.00 H new ATOM 0 HG SER A 21 7.172 6.771 1.344 1.00 0.00 H new ATOM 349 N ARG A 22 6.908 9.253 0.853 1.00 0.00 N ATOM 350 CA ARG A 22 7.839 10.373 0.618 1.00 0.00 C ATOM 351 C ARG A 22 7.110 11.623 0.096 1.00 0.00 C ATOM 352 O ARG A 22 7.498 12.749 0.400 1.00 0.00 O ATOM 353 CB ARG A 22 8.932 9.920 -0.351 1.00 0.00 C ATOM 354 CG ARG A 22 10.028 10.966 -0.542 1.00 0.00 C ATOM 355 CD ARG A 22 11.090 10.392 -1.471 1.00 0.00 C ATOM 356 NE ARG A 22 11.425 11.391 -2.496 1.00 0.00 N ATOM 357 CZ ARG A 22 12.225 11.180 -3.541 1.00 0.00 C ATOM 358 NH1 ARG A 22 12.817 10.008 -3.734 1.00 0.00 N ATOM 359 NH2 ARG A 22 12.446 12.146 -4.417 1.00 0.00 N ATOM 0 H ARG A 22 6.935 8.554 0.110 1.00 0.00 H new ATOM 0 HA ARG A 22 8.294 10.656 1.567 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.378 8.997 0.019 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.482 9.692 -1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.610 11.880 -0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.469 11.232 0.419 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.981 10.123 -0.903 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.724 9.479 -1.941 1.00 0.00 H new ATOM 0 HE ARG A 22 11.013 12.319 -2.400 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.664 9.245 -3.075 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.425 9.871 -4.541 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.004 13.057 -4.294 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.059 11.980 -5.215 1.00 0.00 H new ATOM 373 N LEU A 23 5.977 11.422 -0.568 1.00 0.00 N ATOM 374 CA LEU A 23 5.077 12.530 -0.926 1.00 0.00 C ATOM 375 C LEU A 23 4.491 13.231 0.306 1.00 0.00 C ATOM 376 O LEU A 23 4.354 14.449 0.297 1.00 0.00 O ATOM 377 CB LEU A 23 3.983 12.048 -1.876 1.00 0.00 C ATOM 378 CG LEU A 23 4.349 12.404 -3.316 1.00 0.00 C ATOM 379 CD1 LEU A 23 3.756 11.388 -4.292 1.00 0.00 C ATOM 380 CD2 LEU A 23 3.828 13.808 -3.637 1.00 0.00 C ATOM 0 H LEU A 23 5.653 10.504 -0.873 1.00 0.00 H new ATOM 0 HA LEU A 23 5.674 13.279 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.856 10.970 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.031 12.506 -1.610 1.00 0.00 H new ATOM 0 HG LEU A 23 5.434 12.383 -3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.029 11.661 -5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.145 10.395 -4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.670 11.382 -4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.087 14.066 -4.664 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.745 13.830 -3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.281 14.529 -2.956 1.00 0.00 H new ATOM 392 N TYR A 24 4.365 12.501 1.412 1.00 0.00 N ATOM 393 CA TYR A 24 3.917 13.061 2.700 1.00 0.00 C ATOM 394 C TYR A 24 5.060 13.320 3.703 1.00 0.00 C ATOM 395 O TYR A 24 5.229 14.430 4.189 1.00 0.00 O ATOM 396 CB TYR A 24 2.864 12.133 3.311 1.00 0.00 C ATOM 397 CG TYR A 24 2.325 12.671 4.638 1.00 0.00 C ATOM 398 CD1 TYR A 24 1.794 13.951 4.720 1.00 0.00 C ATOM 399 CD2 TYR A 24 2.244 11.828 5.734 1.00 0.00 C ATOM 400 CE1 TYR A 24 1.172 14.381 5.882 1.00 0.00 C ATOM 401 CE2 TYR A 24 1.632 12.247 6.902 1.00 0.00 C ATOM 402 CZ TYR A 24 1.097 13.526 6.974 1.00 0.00 C ATOM 403 OH TYR A 24 0.447 13.923 8.094 1.00 0.00 O ATOM 0 H TYR A 24 4.569 11.502 1.448 1.00 0.00 H new ATOM 0 HA TYR A 24 3.489 14.041 2.490 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.040 12.009 2.609 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.299 11.146 3.470 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.866 14.617 3.873 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.663 10.834 5.676 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.749 15.373 5.938 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.571 11.584 7.752 1.00 0.00 H new ATOM 0 HH TYR A 24 0.485 13.209 8.764 1.00 0.00 H new ATOM 413 N PHE A 25 5.919 12.335 3.905 1.00 0.00 N ATOM 414 CA PHE A 25 7.097 12.437 4.787 1.00 0.00 C ATOM 415 C PHE A 25 8.205 13.372 4.266 1.00 0.00 C ATOM 416 O PHE A 25 9.202 13.601 4.946 1.00 0.00 O ATOM 417 CB PHE A 25 7.685 11.048 5.045 1.00 0.00 C ATOM 418 CG PHE A 25 7.887 10.772 6.539 1.00 0.00 C ATOM 419 CD1 PHE A 25 8.156 11.791 7.451 1.00 0.00 C ATOM 420 CD2 PHE A 25 7.807 9.456 6.988 1.00 0.00 C ATOM 421 CE1 PHE A 25 8.346 11.498 8.791 1.00 0.00 C ATOM 422 CE2 PHE A 25 7.995 9.163 8.330 1.00 0.00 C ATOM 423 CZ PHE A 25 8.268 10.183 9.234 1.00 0.00 C ATOM 0 H PHE A 25 5.827 11.422 3.459 1.00 0.00 H new ATOM 0 HA PHE A 25 6.730 12.883 5.711 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.023 10.291 4.624 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.641 10.958 4.528 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.217 12.814 7.111 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.598 8.661 6.288 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.555 12.292 9.493 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.929 8.141 8.673 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.419 9.954 10.279 1.00 0.00 H new ATOM 433 N GLY A 26 8.047 13.784 3.006 1.00 0.00 N ATOM 434 CA GLY A 26 8.971 14.711 2.331 1.00 0.00 C ATOM 435 C GLY A 26 8.270 15.990 1.853 1.00 0.00 C ATOM 436 O GLY A 26 8.814 17.079 1.999 1.00 0.00 O ATOM 0 H GLY A 26 7.270 13.484 2.417 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.779 14.976 3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.426 14.209 1.478 1.00 0.00 H new ATOM 440 N GLU A 27 7.069 15.837 1.295 1.00 0.00 N ATOM 441 CA GLU A 27 6.336 16.990 0.726 1.00 0.00 C ATOM 442 C GLU A 27 5.017 17.315 1.452 1.00 0.00 C ATOM 443 O GLU A 27 4.258 18.181 1.012 1.00 0.00 O ATOM 444 CB GLU A 27 6.045 16.802 -0.779 1.00 0.00 C ATOM 445 CG GLU A 27 6.906 15.807 -1.579 1.00 0.00 C ATOM 446 CD GLU A 27 8.433 15.968 -1.491 1.00 0.00 C ATOM 447 OE1 GLU A 27 8.906 17.020 -1.010 1.00 0.00 O ATOM 448 OE2 GLU A 27 9.104 14.993 -1.892 1.00 0.00 O ATOM 0 H GLU A 27 6.581 14.944 1.221 1.00 0.00 H new ATOM 0 HA GLU A 27 7.009 17.835 0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.004 16.493 -0.879 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.136 17.777 -1.258 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.653 14.800 -1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.619 15.879 -2.628 1.00 0.00 H new ATOM 455 N ARG A 28 4.710 16.550 2.501 1.00 0.00 N ATOM 456 CA ARG A 28 3.440 16.608 3.260 1.00 0.00 C ATOM 457 C ARG A 28 2.177 16.662 2.392 1.00 0.00 C ATOM 458 O ARG A 28 1.074 16.966 2.848 1.00 0.00 O ATOM 459 CB ARG A 28 3.484 17.713 4.315 1.00 0.00 C ATOM 460 CG ARG A 28 4.241 17.230 5.550 1.00 0.00 C ATOM 461 CD ARG A 28 4.264 18.332 6.609 1.00 0.00 C ATOM 462 NE ARG A 28 4.446 17.756 7.951 1.00 0.00 N ATOM 463 CZ ARG A 28 5.544 17.190 8.464 1.00 0.00 C ATOM 464 NH1 ARG A 28 6.679 17.097 7.784 1.00 0.00 N ATOM 465 NH2 ARG A 28 5.514 16.709 9.695 1.00 0.00 N ATOM 0 H ARG A 28 5.353 15.847 2.865 1.00 0.00 H new ATOM 0 HA ARG A 28 3.356 15.652 3.776 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.969 18.599 3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.470 18.004 4.591 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.765 16.336 5.953 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.260 16.953 5.278 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.071 19.033 6.395 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.333 18.898 6.573 1.00 0.00 H new ATOM 0 HE ARG A 28 3.634 17.793 8.567 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.736 17.465 6.834 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.495 16.658 8.211 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.658 16.771 10.246 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.347 16.276 10.094 1.00 0.00 H new ATOM 479 N ASN A 29 2.311 15.999 1.252 1.00 0.00 N ATOM 480 CA ASN A 29 1.303 16.018 0.199 1.00 0.00 C ATOM 481 C ASN A 29 0.725 14.606 0.088 1.00 0.00 C ATOM 482 O ASN A 29 1.034 13.813 -0.807 1.00 0.00 O ATOM 483 CB ASN A 29 1.968 16.506 -1.092 1.00 0.00 C ATOM 484 CG ASN A 29 0.930 17.118 -2.027 1.00 0.00 C ATOM 485 OD1 ASN A 29 -0.198 16.651 -2.148 1.00 0.00 O ATOM 486 ND2 ASN A 29 1.319 18.165 -2.715 1.00 0.00 N ATOM 0 H ASN A 29 3.127 15.429 1.029 1.00 0.00 H new ATOM 0 HA ASN A 29 0.479 16.699 0.412 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.735 17.244 -0.857 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.468 15.674 -1.588 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.678 18.612 -3.370 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.263 18.532 -2.595 1.00 0.00 H new ATOM 493 N VAL A 30 -0.132 14.337 1.069 1.00 0.00 N ATOM 494 CA VAL A 30 -0.947 13.100 1.103 1.00 0.00 C ATOM 495 C VAL A 30 -1.826 12.998 -0.162 1.00 0.00 C ATOM 496 O VAL A 30 -2.074 11.902 -0.656 1.00 0.00 O ATOM 497 CB VAL A 30 -1.829 12.941 2.358 1.00 0.00 C ATOM 498 CG1 VAL A 30 -2.307 11.494 2.476 1.00 0.00 C ATOM 499 CG2 VAL A 30 -1.125 13.271 3.669 1.00 0.00 C ATOM 0 H VAL A 30 -0.289 14.958 1.863 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.223 12.285 1.138 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.645 13.650 2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.930 11.388 3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.888 11.229 1.592 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.445 10.831 2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.818 13.132 4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.268 12.610 3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.785 14.307 3.649 1.00 0.00 H new ATOM 509 N LYS A 31 -2.097 14.143 -0.790 1.00 0.00 N ATOM 510 CA LYS A 31 -2.803 14.197 -2.082 1.00 0.00 C ATOM 511 C LYS A 31 -1.975 13.526 -3.200 1.00 0.00 C ATOM 512 O LYS A 31 -2.479 12.665 -3.918 1.00 0.00 O ATOM 513 CB LYS A 31 -3.179 15.661 -2.377 1.00 0.00 C ATOM 514 CG LYS A 31 -3.547 15.993 -3.835 1.00 0.00 C ATOM 515 CD LYS A 31 -4.590 15.034 -4.411 1.00 0.00 C ATOM 516 CE LYS A 31 -5.923 15.711 -4.698 1.00 0.00 C ATOM 517 NZ LYS A 31 -6.992 14.739 -4.448 1.00 0.00 N ATOM 0 H LYS A 31 -1.837 15.059 -0.424 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.728 13.622 -2.036 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.022 15.932 -1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.342 16.295 -2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.929 17.013 -3.886 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.648 15.958 -4.450 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.205 14.597 -5.332 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.748 14.214 -3.711 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.049 16.587 -4.062 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.959 16.059 -5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.914 15.181 -4.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.867 13.917 -5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.954 14.429 -3.456 1.00 0.00 H new ATOM 531 N GLY A 32 -0.671 13.822 -3.217 1.00 0.00 N ATOM 532 CA GLY A 32 0.263 13.247 -4.203 1.00 0.00 C ATOM 533 C GLY A 32 0.439 11.736 -4.005 1.00 0.00 C ATOM 534 O GLY A 32 0.258 10.951 -4.934 1.00 0.00 O ATOM 0 H GLY A 32 -0.231 14.461 -2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.106 13.441 -5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.231 13.740 -4.118 1.00 0.00 H new ATOM 538 N MET A 33 0.693 11.341 -2.756 1.00 0.00 N ATOM 539 CA MET A 33 0.859 9.920 -2.378 1.00 0.00 C ATOM 540 C MET A 33 -0.358 9.063 -2.744 1.00 0.00 C ATOM 541 O MET A 33 -0.237 7.930 -3.207 1.00 0.00 O ATOM 542 CB MET A 33 1.169 9.780 -0.885 1.00 0.00 C ATOM 543 CG MET A 33 0.030 9.890 0.122 1.00 0.00 C ATOM 544 SD MET A 33 0.536 9.416 1.811 1.00 0.00 S ATOM 545 CE MET A 33 -0.375 7.894 1.944 1.00 0.00 C ATOM 0 H MET A 33 0.791 11.988 -1.974 1.00 0.00 H new ATOM 0 HA MET A 33 1.705 9.548 -2.956 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.645 8.811 -0.738 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.908 10.540 -0.630 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.343 10.914 0.133 1.00 0.00 H new ATOM 0 HG3 MET A 33 -0.795 9.254 -0.198 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.324 7.528 2.969 1.00 0.00 H new ATOM 0 HE2 MET A 33 -1.416 8.068 1.672 1.00 0.00 H new ATOM 0 HE3 MET A 33 0.056 7.152 1.272 1.00 0.00 H new ATOM 555 N PHE A 34 -1.505 9.724 -2.650 1.00 0.00 N ATOM 556 CA PHE A 34 -2.812 9.181 -3.011 1.00 0.00 C ATOM 557 C PHE A 34 -2.906 8.831 -4.499 1.00 0.00 C ATOM 558 O PHE A 34 -3.643 7.919 -4.820 1.00 0.00 O ATOM 559 CB PHE A 34 -3.875 10.204 -2.617 1.00 0.00 C ATOM 560 CG PHE A 34 -5.067 9.502 -1.980 1.00 0.00 C ATOM 561 CD1 PHE A 34 -4.918 8.877 -0.746 1.00 0.00 C ATOM 562 CD2 PHE A 34 -6.291 9.502 -2.629 1.00 0.00 C ATOM 563 CE1 PHE A 34 -6.001 8.239 -0.167 1.00 0.00 C ATOM 564 CE2 PHE A 34 -7.379 8.874 -2.041 1.00 0.00 C ATOM 565 CZ PHE A 34 -7.233 8.237 -0.813 1.00 0.00 C ATOM 0 H PHE A 34 -1.555 10.684 -2.309 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.970 8.245 -2.474 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.454 10.927 -1.919 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.198 10.761 -3.496 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.963 8.890 -0.243 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.397 9.988 -3.587 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.890 7.743 0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.339 8.880 -2.536 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.078 7.740 -0.360 1.00 0.00 H new ATOM 575 N GLU A 35 -2.053 9.406 -5.344 1.00 0.00 N ATOM 576 CA GLU A 35 -1.991 9.102 -6.787 1.00 0.00 C ATOM 577 C GLU A 35 -1.164 7.838 -7.094 1.00 0.00 C ATOM 578 O GLU A 35 -1.478 7.124 -8.039 1.00 0.00 O ATOM 579 CB GLU A 35 -1.388 10.293 -7.535 1.00 0.00 C ATOM 580 CG GLU A 35 -1.670 10.249 -9.041 1.00 0.00 C ATOM 581 CD GLU A 35 -2.977 10.961 -9.401 1.00 0.00 C ATOM 582 OE1 GLU A 35 -4.043 10.520 -8.915 1.00 0.00 O ATOM 583 OE2 GLU A 35 -2.870 11.947 -10.162 1.00 0.00 O ATOM 0 H GLU A 35 -1.373 10.107 -5.050 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.012 8.913 -7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.789 11.218 -7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.310 10.312 -7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.844 10.714 -9.578 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.720 9.211 -9.370 1.00 0.00 H new ATOM 590 N VAL A 36 -0.068 7.637 -6.364 1.00 0.00 N ATOM 591 CA VAL A 36 0.779 6.431 -6.507 1.00 0.00 C ATOM 592 C VAL A 36 0.253 5.229 -5.690 1.00 0.00 C ATOM 593 O VAL A 36 0.363 4.087 -6.127 1.00 0.00 O ATOM 594 CB VAL A 36 2.262 6.789 -6.274 1.00 0.00 C ATOM 595 CG1 VAL A 36 2.551 7.238 -4.846 1.00 0.00 C ATOM 596 CG2 VAL A 36 3.220 5.674 -6.706 1.00 0.00 C ATOM 0 H VAL A 36 0.265 8.294 -5.659 1.00 0.00 H new ATOM 0 HA VAL A 36 0.715 6.075 -7.535 1.00 0.00 H new ATOM 0 HB VAL A 36 2.450 7.645 -6.922 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.610 7.475 -4.747 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.958 8.123 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.292 6.437 -4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.248 5.984 -6.518 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.004 4.769 -6.138 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.090 5.475 -7.770 1.00 0.00 H new ATOM 606 N LEU A 37 -0.462 5.526 -4.604 1.00 0.00 N ATOM 607 CA LEU A 37 -1.148 4.524 -3.766 1.00 0.00 C ATOM 608 C LEU A 37 -2.574 4.213 -4.250 1.00 0.00 C ATOM 609 O LEU A 37 -3.048 3.100 -4.043 1.00 0.00 O ATOM 610 CB LEU A 37 -1.144 4.938 -2.284 1.00 0.00 C ATOM 611 CG LEU A 37 -0.432 3.979 -1.307 1.00 0.00 C ATOM 612 CD1 LEU A 37 -1.071 2.590 -1.239 1.00 0.00 C ATOM 613 CD2 LEU A 37 1.048 3.818 -1.627 1.00 0.00 C ATOM 0 H LEU A 37 -0.587 6.482 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.578 3.600 -3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.674 5.918 -2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.178 5.053 -1.958 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.545 4.456 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.519 1.970 -0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.106 2.681 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.044 2.128 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.503 3.134 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.161 3.417 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.541 4.788 -1.565 1.00 0.00 H new ATOM 625 N GLU A 38 -3.167 5.109 -5.046 1.00 0.00 N ATOM 626 CA GLU A 38 -4.452 4.874 -5.746 1.00 0.00 C ATOM 627 C GLU A 38 -4.413 3.586 -6.591 1.00 0.00 C ATOM 628 O GLU A 38 -5.201 2.686 -6.295 1.00 0.00 O ATOM 629 CB GLU A 38 -4.847 6.054 -6.646 1.00 0.00 C ATOM 630 CG GLU A 38 -6.061 6.840 -6.147 1.00 0.00 C ATOM 631 CD GLU A 38 -7.304 6.494 -6.964 1.00 0.00 C ATOM 632 OE1 GLU A 38 -7.256 6.713 -8.195 1.00 0.00 O ATOM 633 OE2 GLU A 38 -8.261 5.994 -6.339 1.00 0.00 O ATOM 0 H GLU A 38 -2.771 6.031 -5.230 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.203 4.766 -4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.998 6.732 -6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.057 5.679 -7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.238 6.616 -5.095 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.861 7.909 -6.216 1.00 0.00 H new ATOM 640 N PRO A 39 -3.435 3.399 -7.501 1.00 0.00 N ATOM 641 CA PRO A 39 -3.319 2.141 -8.246 1.00 0.00 C ATOM 642 C PRO A 39 -2.860 1.002 -7.331 1.00 0.00 C ATOM 643 O PRO A 39 -3.482 -0.043 -7.404 1.00 0.00 O ATOM 644 CB PRO A 39 -2.366 2.422 -9.406 1.00 0.00 C ATOM 645 CG PRO A 39 -1.426 3.479 -8.836 1.00 0.00 C ATOM 646 CD PRO A 39 -2.336 4.294 -7.917 1.00 0.00 C ATOM 0 HA PRO A 39 -4.278 1.803 -8.639 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.826 1.525 -9.710 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.898 2.787 -10.285 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.599 3.029 -8.288 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.990 4.096 -9.622 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.784 4.657 -7.050 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.726 5.169 -8.436 1.00 0.00 H new ATOM 654 N LEU A 40 -2.060 1.275 -6.301 1.00 0.00 N ATOM 655 CA LEU A 40 -1.623 0.238 -5.336 1.00 0.00 C ATOM 656 C LEU A 40 -2.755 -0.342 -4.469 1.00 0.00 C ATOM 657 O LEU A 40 -2.647 -1.452 -3.952 1.00 0.00 O ATOM 658 CB LEU A 40 -0.498 0.781 -4.458 1.00 0.00 C ATOM 659 CG LEU A 40 0.759 1.076 -5.275 1.00 0.00 C ATOM 660 CD1 LEU A 40 1.729 1.848 -4.402 1.00 0.00 C ATOM 661 CD2 LEU A 40 1.456 -0.212 -5.703 1.00 0.00 C ATOM 0 H LEU A 40 -1.694 2.206 -6.103 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.262 -0.597 -5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.831 1.692 -3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.264 0.058 -3.677 1.00 0.00 H new ATOM 0 HG LEU A 40 0.467 1.640 -6.161 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.633 2.068 -4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.266 2.781 -4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.986 1.251 -3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.347 0.031 -6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.743 -0.782 -4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.777 -0.807 -6.314 1.00 0.00 H new ATOM 673 N HIS A 41 -3.825 0.438 -4.352 1.00 0.00 N ATOM 674 CA HIS A 41 -5.103 0.047 -3.730 1.00 0.00 C ATOM 675 C HIS A 41 -5.937 -0.877 -4.637 1.00 0.00 C ATOM 676 O HIS A 41 -6.506 -1.865 -4.176 1.00 0.00 O ATOM 677 CB HIS A 41 -5.844 1.339 -3.365 1.00 0.00 C ATOM 678 CG HIS A 41 -7.322 1.136 -2.975 1.00 0.00 C ATOM 679 ND1 HIS A 41 -7.836 0.046 -2.434 1.00 0.00 N ATOM 680 CD2 HIS A 41 -8.312 1.918 -3.377 1.00 0.00 C ATOM 681 CE1 HIS A 41 -9.170 0.145 -2.511 1.00 0.00 C ATOM 682 NE2 HIS A 41 -9.459 1.297 -3.097 1.00 0.00 N ATOM 0 H HIS A 41 -3.835 1.397 -4.698 1.00 0.00 H new ATOM 0 HA HIS A 41 -4.920 -0.543 -2.832 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -5.325 1.820 -2.536 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.795 2.024 -4.212 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -8.209 2.885 -3.847 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -9.883 -0.585 -2.158 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -10.395 1.648 -3.299 1.00 0.00 H new ATOM 690 N ALA A 42 -5.981 -0.559 -5.927 1.00 0.00 N ATOM 691 CA ALA A 42 -6.765 -1.324 -6.917 1.00 0.00 C ATOM 692 C ALA A 42 -5.999 -2.543 -7.453 1.00 0.00 C ATOM 693 O ALA A 42 -6.505 -3.666 -7.413 1.00 0.00 O ATOM 694 CB ALA A 42 -7.195 -0.397 -8.053 1.00 0.00 C ATOM 0 H ALA A 42 -5.478 0.234 -6.325 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.651 -1.716 -6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.774 -0.962 -8.784 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.807 0.411 -7.652 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.312 0.022 -8.535 1.00 0.00 H new ATOM 700 N MET A 43 -4.704 -2.334 -7.672 1.00 0.00 N ATOM 701 CA MET A 43 -3.700 -3.364 -7.988 1.00 0.00 C ATOM 702 C MET A 43 -3.535 -4.377 -6.851 1.00 0.00 C ATOM 703 O MET A 43 -2.892 -5.386 -7.043 1.00 0.00 O ATOM 704 CB MET A 43 -2.322 -2.754 -8.287 1.00 0.00 C ATOM 705 CG MET A 43 -2.265 -2.019 -9.630 1.00 0.00 C ATOM 706 SD MET A 43 -2.601 -3.106 -11.063 1.00 0.00 S ATOM 707 CE MET A 43 -2.376 -1.927 -12.378 1.00 0.00 C ATOM 0 H MET A 43 -4.299 -1.399 -7.634 1.00 0.00 H new ATOM 0 HA MET A 43 -4.076 -3.871 -8.876 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.058 -2.060 -7.489 1.00 0.00 H new ATOM 0 HB3 MET A 43 -1.573 -3.546 -8.281 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.990 -1.205 -9.622 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.280 -1.568 -9.748 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.543 -2.416 -13.338 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.087 -1.109 -12.259 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.360 -1.533 -12.343 1.00 0.00 H new ATOM 717 N MET A 44 -4.099 -4.128 -5.676 1.00 0.00 N ATOM 718 CA MET A 44 -4.066 -5.124 -4.589 1.00 0.00 C ATOM 719 C MET A 44 -5.361 -5.946 -4.506 1.00 0.00 C ATOM 720 O MET A 44 -5.391 -7.021 -3.910 1.00 0.00 O ATOM 721 CB MET A 44 -3.765 -4.409 -3.272 1.00 0.00 C ATOM 722 CG MET A 44 -4.950 -3.791 -2.550 1.00 0.00 C ATOM 723 SD MET A 44 -5.660 -4.937 -1.316 1.00 0.00 S ATOM 724 CE MET A 44 -7.149 -4.043 -0.938 1.00 0.00 C ATOM 0 H MET A 44 -4.581 -3.260 -5.443 1.00 0.00 H new ATOM 0 HA MET A 44 -3.275 -5.844 -4.800 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.289 -5.121 -2.598 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.038 -3.622 -3.470 1.00 0.00 H new ATOM 0 HG2 MET A 44 -4.636 -2.872 -2.055 1.00 0.00 H new ATOM 0 HG3 MET A 44 -5.716 -3.517 -3.275 1.00 0.00 H new ATOM 0 HE1 MET A 44 -7.412 -4.201 0.108 1.00 0.00 H new ATOM 0 HE2 MET A 44 -6.990 -2.979 -1.116 1.00 0.00 H new ATOM 0 HE3 MET A 44 -7.959 -4.400 -1.574 1.00 0.00 H new ATOM 734 N GLU A 45 -6.426 -5.356 -5.044 1.00 0.00 N ATOM 735 CA GLU A 45 -7.785 -5.908 -4.960 1.00 0.00 C ATOM 736 C GLU A 45 -8.111 -6.738 -6.205 1.00 0.00 C ATOM 737 O GLU A 45 -8.674 -7.815 -6.035 1.00 0.00 O ATOM 738 CB GLU A 45 -8.801 -4.782 -4.752 1.00 0.00 C ATOM 739 CG GLU A 45 -10.126 -5.290 -4.163 1.00 0.00 C ATOM 740 CD GLU A 45 -11.112 -5.852 -5.198 1.00 0.00 C ATOM 741 OE1 GLU A 45 -11.905 -5.033 -5.705 1.00 0.00 O ATOM 742 OE2 GLU A 45 -11.108 -7.082 -5.413 1.00 0.00 O ATOM 0 H GLU A 45 -6.375 -4.475 -5.555 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.842 -6.575 -4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.375 -4.031 -4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.995 -4.291 -5.705 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.908 -6.066 -3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.608 -4.472 -3.628 1.00 0.00 H new ATOM 749 N ARG A 46 -7.614 -6.319 -7.374 1.00 0.00 N ATOM 750 CA ARG A 46 -7.775 -7.038 -8.659 1.00 0.00 C ATOM 751 C ARG A 46 -7.622 -8.565 -8.525 1.00 0.00 C ATOM 752 O ARG A 46 -8.373 -9.328 -9.128 1.00 0.00 O ATOM 753 CB ARG A 46 -6.758 -6.487 -9.666 1.00 0.00 C ATOM 754 CG ARG A 46 -7.116 -6.926 -11.086 1.00 0.00 C ATOM 755 CD ARG A 46 -6.282 -6.174 -12.120 1.00 0.00 C ATOM 756 NE ARG A 46 -6.876 -6.397 -13.448 1.00 0.00 N ATOM 757 CZ ARG A 46 -6.716 -5.610 -14.516 1.00 0.00 C ATOM 758 NH1 ARG A 46 -5.989 -4.502 -14.459 1.00 0.00 N ATOM 759 NH2 ARG A 46 -7.293 -5.924 -15.664 1.00 0.00 N ATOM 0 H ARG A 46 -7.078 -5.456 -7.464 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.794 -6.867 -9.007 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.736 -5.399 -9.611 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.758 -6.839 -9.412 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.951 -7.998 -11.191 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.176 -6.747 -11.269 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.261 -5.109 -11.888 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.250 -6.525 -12.102 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.461 -7.225 -13.563 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.536 -4.233 -13.585 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.883 -3.919 -15.289 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.861 -6.768 -15.735 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.170 -5.322 -16.478 1.00 0.00 H new ATOM 773 N GLY A 47 -6.680 -8.955 -7.657 1.00 0.00 N ATOM 774 CA GLY A 47 -6.527 -10.347 -7.220 1.00 0.00 C ATOM 775 C GLY A 47 -5.066 -10.793 -7.317 1.00 0.00 C ATOM 776 O GLY A 47 -4.405 -10.482 -8.309 1.00 0.00 O ATOM 0 H GLY A 47 -6.004 -8.315 -7.239 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.875 -10.450 -6.192 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.151 -10.996 -7.835 1.00 0.00 H new ATOM 780 N PRO A 48 -4.578 -11.569 -6.342 1.00 0.00 N ATOM 781 CA PRO A 48 -3.206 -12.105 -6.395 1.00 0.00 C ATOM 782 C PRO A 48 -2.992 -13.086 -7.557 1.00 0.00 C ATOM 783 O PRO A 48 -1.855 -13.259 -7.991 1.00 0.00 O ATOM 784 CB PRO A 48 -2.977 -12.758 -5.034 1.00 0.00 C ATOM 785 CG PRO A 48 -4.379 -13.164 -4.579 1.00 0.00 C ATOM 786 CD PRO A 48 -5.285 -12.066 -5.141 1.00 0.00 C ATOM 0 HA PRO A 48 -2.483 -11.313 -6.587 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.317 -13.622 -5.112 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.514 -12.065 -4.331 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.655 -14.145 -4.965 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.445 -13.219 -3.492 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.270 -12.458 -5.396 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.438 -11.269 -4.414 1.00 0.00 H new ATOM 794 N GLN A 49 -4.087 -13.686 -8.048 1.00 0.00 N ATOM 795 CA GLN A 49 -4.107 -14.696 -9.125 1.00 0.00 C ATOM 796 C GLN A 49 -3.325 -15.960 -8.719 1.00 0.00 C ATOM 797 O GLN A 49 -3.912 -16.893 -8.182 1.00 0.00 O ATOM 798 CB GLN A 49 -3.657 -14.050 -10.450 1.00 0.00 C ATOM 799 CG GLN A 49 -3.425 -15.067 -11.571 1.00 0.00 C ATOM 800 CD GLN A 49 -4.252 -14.770 -12.811 1.00 0.00 C ATOM 801 OE1 GLN A 49 -5.441 -14.487 -12.778 1.00 0.00 O ATOM 802 NE2 GLN A 49 -3.616 -14.916 -13.946 1.00 0.00 N ATOM 0 H GLN A 49 -5.020 -13.475 -7.694 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.124 -15.050 -9.292 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.412 -13.332 -10.771 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.737 -13.491 -10.280 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.368 -15.074 -11.837 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.669 -16.065 -11.207 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.624 -15.152 -13.948 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.113 -14.793 -14.828 1.00 0.00 H new ATOM 811 N THR A 50 -2.015 -15.918 -8.968 1.00 0.00 N ATOM 812 CA THR A 50 -1.023 -16.946 -8.595 1.00 0.00 C ATOM 813 C THR A 50 -1.018 -17.140 -7.066 1.00 0.00 C ATOM 814 O THR A 50 -1.932 -17.751 -6.520 1.00 0.00 O ATOM 815 CB THR A 50 0.361 -16.646 -9.243 1.00 0.00 C ATOM 816 OG1 THR A 50 1.390 -17.439 -8.642 1.00 0.00 O ATOM 817 CG2 THR A 50 0.784 -15.169 -9.252 1.00 0.00 C ATOM 0 H THR A 50 -1.590 -15.131 -9.458 1.00 0.00 H new ATOM 0 HA THR A 50 -1.303 -17.916 -9.006 1.00 0.00 H new ATOM 0 HB THR A 50 0.228 -16.917 -10.290 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.250 -17.235 -9.066 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.761 -15.073 -9.725 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.052 -14.584 -9.809 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.839 -14.800 -8.228 1.00 0.00 H new ATOM 825 N LEU A 51 -0.015 -16.565 -6.405 1.00 0.00 N ATOM 826 CA LEU A 51 0.220 -16.585 -4.945 1.00 0.00 C ATOM 827 C LEU A 51 1.557 -15.911 -4.585 1.00 0.00 C ATOM 828 O LEU A 51 2.335 -16.372 -3.754 1.00 0.00 O ATOM 829 CB LEU A 51 0.205 -18.034 -4.434 1.00 0.00 C ATOM 830 CG LEU A 51 -0.972 -18.237 -3.481 1.00 0.00 C ATOM 831 CD1 LEU A 51 -1.567 -19.631 -3.676 1.00 0.00 C ATOM 832 CD2 LEU A 51 -0.500 -18.061 -2.035 1.00 0.00 C ATOM 0 H LEU A 51 0.706 -16.037 -6.897 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.580 -16.023 -4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.127 -18.724 -5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.141 -18.258 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.741 -17.495 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.405 -19.768 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.915 -19.738 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.806 -20.384 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.341 -18.206 -1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.275 -18.795 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.097 -17.057 -1.903 1.00 0.00 H new ATOM 844 N LYS A 52 1.853 -14.847 -5.324 1.00 0.00 N ATOM 845 CA LYS A 52 3.130 -14.122 -5.176 1.00 0.00 C ATOM 846 C LYS A 52 2.898 -12.656 -4.770 1.00 0.00 C ATOM 847 O LYS A 52 3.465 -12.160 -3.797 1.00 0.00 O ATOM 848 CB LYS A 52 3.905 -14.210 -6.496 1.00 0.00 C ATOM 849 CG LYS A 52 4.117 -15.627 -7.050 1.00 0.00 C ATOM 850 CD LYS A 52 5.586 -16.054 -7.036 1.00 0.00 C ATOM 851 CE LYS A 52 5.873 -17.051 -5.912 1.00 0.00 C ATOM 852 NZ LYS A 52 7.314 -17.333 -5.827 1.00 0.00 N ATOM 0 H LYS A 52 1.232 -14.460 -6.034 1.00 0.00 H new ATOM 0 HA LYS A 52 3.713 -14.584 -4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.377 -13.622 -7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.881 -13.745 -6.355 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.532 -16.334 -6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.739 -15.673 -8.071 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.844 -16.502 -7.995 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.220 -15.175 -6.914 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.519 -16.649 -4.963 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.326 -17.976 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.490 -18.012 -5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.642 -17.737 -6.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.830 -16.451 -5.635 1.00 0.00 H new ATOM 866 N GLU A 53 1.932 -12.015 -5.432 1.00 0.00 N ATOM 867 CA GLU A 53 1.541 -10.622 -5.136 1.00 0.00 C ATOM 868 C GLU A 53 0.459 -10.580 -4.029 1.00 0.00 C ATOM 869 O GLU A 53 -0.657 -10.132 -4.275 1.00 0.00 O ATOM 870 CB GLU A 53 1.009 -9.912 -6.394 1.00 0.00 C ATOM 871 CG GLU A 53 1.689 -10.134 -7.748 1.00 0.00 C ATOM 872 CD GLU A 53 1.002 -11.205 -8.600 1.00 0.00 C ATOM 873 OE1 GLU A 53 0.678 -12.267 -8.019 1.00 0.00 O ATOM 874 OE2 GLU A 53 0.965 -11.004 -9.832 1.00 0.00 O ATOM 0 H GLU A 53 1.396 -12.440 -6.188 1.00 0.00 H new ATOM 0 HA GLU A 53 2.434 -10.101 -4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.037 -10.195 -6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.029 -8.841 -6.194 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.702 -9.194 -8.299 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.727 -10.421 -7.583 1.00 0.00 H new ATOM 881 N THR A 54 0.831 -11.081 -2.845 1.00 0.00 N ATOM 882 CA THR A 54 0.011 -11.159 -1.601 1.00 0.00 C ATOM 883 C THR A 54 0.883 -11.594 -0.402 1.00 0.00 C ATOM 884 O THR A 54 0.764 -12.671 0.174 1.00 0.00 O ATOM 885 CB THR A 54 -1.294 -11.981 -1.822 1.00 0.00 C ATOM 886 OG1 THR A 54 -2.277 -11.078 -2.323 1.00 0.00 O ATOM 887 CG2 THR A 54 -1.972 -12.697 -0.645 1.00 0.00 C ATOM 0 H THR A 54 1.764 -11.469 -2.707 1.00 0.00 H new ATOM 0 HA THR A 54 -0.352 -10.165 -1.339 1.00 0.00 H new ATOM 0 HB THR A 54 -0.953 -12.789 -2.470 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.875 -10.505 -3.009 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.864 -13.214 -0.999 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.281 -13.421 -0.213 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.253 -11.966 0.113 1.00 0.00 H new ATOM 895 N SER A 55 1.859 -10.750 -0.080 1.00 0.00 N ATOM 896 CA SER A 55 2.728 -10.962 1.097 1.00 0.00 C ATOM 897 C SER A 55 2.129 -10.354 2.372 1.00 0.00 C ATOM 898 O SER A 55 1.820 -11.062 3.330 1.00 0.00 O ATOM 899 CB SER A 55 4.136 -10.417 0.833 1.00 0.00 C ATOM 900 OG SER A 55 4.059 -9.106 0.256 1.00 0.00 O ATOM 0 H SER A 55 2.077 -9.908 -0.613 1.00 0.00 H new ATOM 0 HA SER A 55 2.800 -12.037 1.262 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.700 -10.380 1.765 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.673 -11.087 0.162 1.00 0.00 H new ATOM 0 HG SER A 55 4.964 -8.767 0.093 1.00 0.00 H new ATOM 906 N PHE A 56 1.728 -9.092 2.257 1.00 0.00 N ATOM 907 CA PHE A 56 1.032 -8.384 3.343 1.00 0.00 C ATOM 908 C PHE A 56 -0.413 -8.878 3.482 1.00 0.00 C ATOM 909 O PHE A 56 -0.797 -9.300 4.554 1.00 0.00 O ATOM 910 CB PHE A 56 1.057 -6.863 3.167 1.00 0.00 C ATOM 911 CG PHE A 56 0.270 -6.418 1.942 1.00 0.00 C ATOM 912 CD1 PHE A 56 0.906 -6.392 0.709 1.00 0.00 C ATOM 913 CD2 PHE A 56 -1.101 -6.200 2.042 1.00 0.00 C ATOM 914 CE1 PHE A 56 0.160 -6.140 -0.421 1.00 0.00 C ATOM 915 CE2 PHE A 56 -1.848 -5.969 0.900 1.00 0.00 C ATOM 916 CZ PHE A 56 -1.215 -5.932 -0.334 1.00 0.00 C ATOM 0 H PHE A 56 1.871 -8.529 1.419 1.00 0.00 H new ATOM 0 HA PHE A 56 1.576 -8.612 4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.643 -6.388 4.056 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.089 -6.525 3.077 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.969 -6.567 0.637 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.581 -6.211 3.009 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.646 -6.103 -1.385 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.915 -5.819 0.969 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.789 -5.742 -1.229 1.00 0.00 H new ATOM 926 N ASN A 57 -1.112 -9.054 2.361 1.00 0.00 N ATOM 927 CA ASN A 57 -2.519 -9.499 2.381 1.00 0.00 C ATOM 928 C ASN A 57 -2.672 -10.898 3.009 1.00 0.00 C ATOM 929 O ASN A 57 -3.731 -11.248 3.517 1.00 0.00 O ATOM 930 CB ASN A 57 -3.092 -9.423 0.963 1.00 0.00 C ATOM 931 CG ASN A 57 -4.601 -9.661 0.965 1.00 0.00 C ATOM 932 OD1 ASN A 57 -5.404 -8.771 1.220 1.00 0.00 O ATOM 933 ND2 ASN A 57 -4.997 -10.896 0.766 1.00 0.00 N ATOM 0 H ASN A 57 -0.735 -8.898 1.426 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.096 -8.830 3.020 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.876 -8.445 0.532 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.605 -10.165 0.330 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.988 -11.129 0.822 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.313 -11.623 0.555 1.00 0.00 H new ATOM 940 N GLN A 58 -1.569 -11.647 3.018 1.00 0.00 N ATOM 941 CA GLN A 58 -1.485 -12.962 3.667 1.00 0.00 C ATOM 942 C GLN A 58 -1.632 -12.843 5.202 1.00 0.00 C ATOM 943 O GLN A 58 -2.559 -13.414 5.768 1.00 0.00 O ATOM 944 CB GLN A 58 -0.154 -13.610 3.264 1.00 0.00 C ATOM 945 CG GLN A 58 -0.157 -15.139 3.396 1.00 0.00 C ATOM 946 CD GLN A 58 -0.491 -15.608 4.812 1.00 0.00 C ATOM 947 OE1 GLN A 58 0.103 -15.202 5.806 1.00 0.00 O ATOM 948 NE2 GLN A 58 -1.516 -16.419 4.933 1.00 0.00 N ATOM 0 H GLN A 58 -0.699 -11.358 2.572 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.308 -13.595 3.336 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.075 -13.342 2.232 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.644 -13.201 3.884 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.882 -15.558 2.698 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.821 -15.526 3.111 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.004 -16.752 4.101 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.824 -16.716 5.859 1.00 0.00 H new ATOM 957 N ALA A 59 -0.768 -12.045 5.836 1.00 0.00 N ATOM 958 CA ALA A 59 -0.730 -11.898 7.310 1.00 0.00 C ATOM 959 C ALA A 59 -0.988 -10.461 7.796 1.00 0.00 C ATOM 960 O ALA A 59 -1.914 -10.199 8.562 1.00 0.00 O ATOM 961 CB ALA A 59 0.612 -12.409 7.843 1.00 0.00 C ATOM 0 H ALA A 59 -0.072 -11.479 5.350 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.549 -12.499 7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.638 -12.300 8.927 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.731 -13.460 7.581 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.423 -11.831 7.401 1.00 0.00 H new ATOM 967 N TYR A 60 -0.297 -9.525 7.158 1.00 0.00 N ATOM 968 CA TYR A 60 -0.423 -8.061 7.317 1.00 0.00 C ATOM 969 C TYR A 60 -1.671 -7.495 6.593 1.00 0.00 C ATOM 970 O TYR A 60 -1.665 -6.384 6.050 1.00 0.00 O ATOM 971 CB TYR A 60 0.858 -7.419 6.761 1.00 0.00 C ATOM 972 CG TYR A 60 2.170 -8.041 7.246 1.00 0.00 C ATOM 973 CD1 TYR A 60 2.303 -8.498 8.553 1.00 0.00 C ATOM 974 CD2 TYR A 60 3.198 -8.244 6.333 1.00 0.00 C ATOM 975 CE1 TYR A 60 3.452 -9.163 8.945 1.00 0.00 C ATOM 976 CE2 TYR A 60 4.347 -8.913 6.720 1.00 0.00 C ATOM 977 CZ TYR A 60 4.474 -9.365 8.027 1.00 0.00 C ATOM 978 OH TYR A 60 5.604 -10.001 8.415 1.00 0.00 O ATOM 0 H TYR A 60 0.414 -9.772 6.470 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.551 -7.827 8.374 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.829 -7.476 5.673 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.858 -6.361 7.025 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.507 -8.333 9.264 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.101 -7.880 5.321 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.553 -9.522 9.958 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.141 -9.083 6.008 1.00 0.00 H new ATOM 0 HH TYR A 60 6.221 -10.064 7.656 1.00 0.00 H new ATOM 988 N GLY A 61 -2.763 -8.270 6.664 1.00 0.00 N ATOM 989 CA GLY A 61 -4.104 -7.907 6.148 1.00 0.00 C ATOM 990 C GLY A 61 -4.725 -6.696 6.872 1.00 0.00 C ATOM 991 O GLY A 61 -5.659 -6.064 6.389 1.00 0.00 O ATOM 0 H GLY A 61 -2.744 -9.195 7.093 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.029 -7.686 5.083 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.770 -8.764 6.250 1.00 0.00 H new ATOM 995 N ARG A 62 -4.080 -6.291 7.959 1.00 0.00 N ATOM 996 CA ARG A 62 -4.478 -5.123 8.765 1.00 0.00 C ATOM 997 C ARG A 62 -3.587 -3.895 8.538 1.00 0.00 C ATOM 998 O ARG A 62 -3.931 -2.795 8.958 1.00 0.00 O ATOM 999 CB ARG A 62 -4.446 -5.526 10.236 1.00 0.00 C ATOM 1000 CG ARG A 62 -5.661 -6.388 10.574 1.00 0.00 C ATOM 1001 CD ARG A 62 -5.327 -7.280 11.762 1.00 0.00 C ATOM 1002 NE ARG A 62 -6.538 -7.974 12.224 1.00 0.00 N ATOM 1003 CZ ARG A 62 -6.586 -8.872 13.211 1.00 0.00 C ATOM 1004 NH1 ARG A 62 -5.485 -9.302 13.816 1.00 0.00 N ATOM 1005 NH2 ARG A 62 -7.745 -9.388 13.583 1.00 0.00 N ATOM 0 H ARG A 62 -3.252 -6.766 8.318 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.481 -4.828 8.455 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.530 -6.076 10.450 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.437 -4.635 10.864 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.517 -5.755 10.808 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.941 -6.997 9.714 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.566 -8.008 11.479 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.910 -6.681 12.571 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.414 -7.751 11.751 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.573 -8.946 13.529 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.551 -9.989 14.567 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.605 -9.100 13.116 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.779 -10.074 14.337 1.00 0.00 H new ATOM 1019 N ASP A 63 -2.586 -4.068 7.678 1.00 0.00 N ATOM 1020 CA ASP A 63 -1.570 -3.044 7.384 1.00 0.00 C ATOM 1021 C ASP A 63 -2.045 -2.274 6.139 1.00 0.00 C ATOM 1022 O ASP A 63 -3.235 -1.990 6.040 1.00 0.00 O ATOM 1023 CB ASP A 63 -0.195 -3.710 7.197 1.00 0.00 C ATOM 1024 CG ASP A 63 0.355 -4.528 8.375 1.00 0.00 C ATOM 1025 OD1 ASP A 63 -0.442 -5.214 9.053 1.00 0.00 O ATOM 1026 OD2 ASP A 63 1.598 -4.569 8.459 1.00 0.00 O ATOM 0 H ASP A 63 -2.450 -4.933 7.155 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.451 -2.338 8.206 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.253 -4.366 6.328 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.529 -2.930 6.960 1.00 0.00 H new ATOM 1031 N LEU A 64 -1.171 -2.074 5.150 1.00 0.00 N ATOM 1032 CA LEU A 64 -1.487 -1.462 3.844 1.00 0.00 C ATOM 1033 C LEU A 64 -2.861 -1.860 3.268 1.00 0.00 C ATOM 1034 O LEU A 64 -3.631 -0.985 2.881 1.00 0.00 O ATOM 1035 CB LEU A 64 -0.299 -1.765 2.922 1.00 0.00 C ATOM 1036 CG LEU A 64 -0.553 -2.550 1.635 1.00 0.00 C ATOM 1037 CD1 LEU A 64 -1.171 -1.675 0.545 1.00 0.00 C ATOM 1038 CD2 LEU A 64 0.782 -3.117 1.176 1.00 0.00 C ATOM 0 H LEU A 64 -0.190 -2.340 5.232 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.608 -0.384 3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.156 -0.814 2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.440 -2.315 3.505 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.269 -3.349 1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.335 -2.272 -0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.123 -1.277 0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.496 -0.851 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.639 -3.685 0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.480 -2.300 0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.184 -3.772 1.949 1.00 0.00 H new ATOM 1050 N MET A 65 -3.181 -3.151 3.362 1.00 0.00 N ATOM 1051 CA MET A 65 -4.487 -3.724 2.978 1.00 0.00 C ATOM 1052 C MET A 65 -5.666 -2.861 3.471 1.00 0.00 C ATOM 1053 O MET A 65 -6.302 -2.208 2.645 1.00 0.00 O ATOM 1054 CB MET A 65 -4.527 -5.169 3.493 1.00 0.00 C ATOM 1055 CG MET A 65 -5.733 -5.966 2.988 1.00 0.00 C ATOM 1056 SD MET A 65 -7.261 -5.693 3.957 1.00 0.00 S ATOM 1057 CE MET A 65 -8.487 -6.054 2.723 1.00 0.00 C ATOM 0 H MET A 65 -2.528 -3.851 3.715 1.00 0.00 H new ATOM 0 HA MET A 65 -4.598 -3.731 1.894 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.612 -5.679 3.191 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.540 -5.157 4.583 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.922 -5.700 1.948 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.488 -7.028 3.006 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.482 -5.934 3.152 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.370 -5.370 1.883 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.363 -7.080 2.376 1.00 0.00 H new ATOM 1067 N GLU A 66 -5.712 -2.621 4.779 1.00 0.00 N ATOM 1068 CA GLU A 66 -6.691 -1.710 5.410 1.00 0.00 C ATOM 1069 C GLU A 66 -6.294 -0.230 5.363 1.00 0.00 C ATOM 1070 O GLU A 66 -7.143 0.610 5.083 1.00 0.00 O ATOM 1071 CB GLU A 66 -6.989 -2.138 6.845 1.00 0.00 C ATOM 1072 CG GLU A 66 -8.050 -3.242 6.836 1.00 0.00 C ATOM 1073 CD GLU A 66 -8.205 -3.907 8.203 1.00 0.00 C ATOM 1074 OE1 GLU A 66 -8.335 -3.165 9.203 1.00 0.00 O ATOM 1075 OE2 GLU A 66 -8.230 -5.154 8.209 1.00 0.00 O ATOM 0 H GLU A 66 -5.070 -3.052 5.445 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.596 -1.796 4.809 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.079 -2.497 7.326 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.341 -1.285 7.425 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.007 -2.821 6.529 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.781 -3.996 6.096 1.00 0.00 H new ATOM 1082 N ALA A 67 -4.988 0.024 5.369 1.00 0.00 N ATOM 1083 CA ALA A 67 -4.399 1.374 5.270 1.00 0.00 C ATOM 1084 C ALA A 67 -4.836 2.128 3.995 1.00 0.00 C ATOM 1085 O ALA A 67 -4.924 3.352 4.004 1.00 0.00 O ATOM 1086 CB ALA A 67 -2.878 1.254 5.343 1.00 0.00 C ATOM 0 H ALA A 67 -4.287 -0.713 5.444 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.768 1.968 6.106 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.431 2.245 5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.594 0.796 6.291 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.522 0.635 4.520 1.00 0.00 H new ATOM 1092 N GLN A 68 -5.208 1.354 2.974 1.00 0.00 N ATOM 1093 CA GLN A 68 -5.820 1.855 1.729 1.00 0.00 C ATOM 1094 C GLN A 68 -7.323 1.515 1.619 1.00 0.00 C ATOM 1095 O GLN A 68 -8.067 2.268 0.996 1.00 0.00 O ATOM 1096 CB GLN A 68 -5.038 1.302 0.527 1.00 0.00 C ATOM 1097 CG GLN A 68 -5.458 -0.125 0.165 1.00 0.00 C ATOM 1098 CD GLN A 68 -4.364 -0.986 -0.423 1.00 0.00 C ATOM 1099 OE1 GLN A 68 -3.488 -0.572 -1.173 1.00 0.00 O ATOM 1100 NE2 GLN A 68 -4.441 -2.240 -0.072 1.00 0.00 N ATOM 0 H GLN A 68 -5.093 0.341 2.984 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.762 2.943 1.740 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -5.192 1.953 -0.334 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.972 1.318 0.752 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.841 -0.613 1.061 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.282 -0.075 -0.547 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.184 -2.550 0.554 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.758 -2.911 -0.424 1.00 0.00 H new ATOM 1109 N GLU A 69 -7.739 0.349 2.138 1.00 0.00 N ATOM 1110 CA GLU A 69 -9.153 -0.097 2.132 1.00 0.00 C ATOM 1111 C GLU A 69 -10.077 0.964 2.745 1.00 0.00 C ATOM 1112 O GLU A 69 -11.216 1.118 2.306 1.00 0.00 O ATOM 1113 CB GLU A 69 -9.300 -1.439 2.861 1.00 0.00 C ATOM 1114 CG GLU A 69 -10.623 -2.176 2.600 1.00 0.00 C ATOM 1115 CD GLU A 69 -11.841 -1.538 3.283 1.00 0.00 C ATOM 1116 OE1 GLU A 69 -11.827 -1.485 4.533 1.00 0.00 O ATOM 1117 OE2 GLU A 69 -12.759 -1.128 2.540 1.00 0.00 O ATOM 0 H GLU A 69 -7.105 -0.319 2.577 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.455 -0.236 1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.475 -2.088 2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.203 -1.266 3.933 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.800 -2.212 1.525 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.526 -3.206 2.942 1.00 0.00 H new ATOM 1124 N TRP A 70 -9.502 1.810 3.595 1.00 0.00 N ATOM 1125 CA TRP A 70 -10.183 2.989 4.143 1.00 0.00 C ATOM 1126 C TRP A 70 -10.238 4.115 3.093 1.00 0.00 C ATOM 1127 O TRP A 70 -10.117 5.285 3.426 1.00 0.00 O ATOM 1128 CB TRP A 70 -9.474 3.415 5.437 1.00 0.00 C ATOM 1129 CG TRP A 70 -9.512 2.339 6.534 1.00 0.00 C ATOM 1130 CD1 TRP A 70 -8.447 1.914 7.214 1.00 0.00 C ATOM 1131 CD2 TRP A 70 -10.581 1.540 6.903 1.00 0.00 C ATOM 1132 NE1 TRP A 70 -8.795 0.886 7.986 1.00 0.00 N ATOM 1133 CE2 TRP A 70 -10.086 0.632 7.837 1.00 0.00 C ATOM 1134 CE3 TRP A 70 -11.933 1.539 6.581 1.00 0.00 C ATOM 1135 CZ2 TRP A 70 -10.949 -0.264 8.456 1.00 0.00 C ATOM 1136 CZ3 TRP A 70 -12.800 0.669 7.232 1.00 0.00 C ATOM 1137 CH2 TRP A 70 -12.309 -0.233 8.165 1.00 0.00 C ATOM 0 H TRP A 70 -8.544 1.700 3.928 1.00 0.00 H new ATOM 0 HA TRP A 70 -11.218 2.751 4.390 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.436 3.657 5.211 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -9.939 4.326 5.815 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -7.456 2.338 7.149 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -8.163 0.372 8.599 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -12.310 2.213 5.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -10.564 -0.984 9.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -13.857 0.695 7.011 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.983 -0.912 8.666 1.00 0.00 H new ATOM 1148 N CYS A 71 -10.577 3.757 1.853 1.00 0.00 N ATOM 1149 CA CYS A 71 -10.712 4.698 0.726 1.00 0.00 C ATOM 1150 C CYS A 71 -12.084 5.369 0.788 1.00 0.00 C ATOM 1151 O CYS A 71 -12.143 6.565 1.032 1.00 0.00 O ATOM 1152 CB CYS A 71 -10.519 4.033 -0.642 1.00 0.00 C ATOM 1153 SG CYS A 71 -10.717 5.226 -2.020 1.00 0.00 S ATOM 0 H CYS A 71 -10.770 2.790 1.594 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.918 5.437 0.828 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.527 3.585 -0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -11.240 3.224 -0.757 1.00 0.00 H new ATOM 0 HG CYS A 71 -10.542 4.613 -3.153 1.00 0.00 H new ATOM 1159 N ARG A 72 -13.142 4.561 0.855 1.00 0.00 N ATOM 1160 CA ARG A 72 -14.518 5.065 1.036 1.00 0.00 C ATOM 1161 C ARG A 72 -14.706 5.897 2.323 1.00 0.00 C ATOM 1162 O ARG A 72 -15.548 6.790 2.390 1.00 0.00 O ATOM 1163 CB ARG A 72 -15.484 3.885 0.999 1.00 0.00 C ATOM 1164 CG ARG A 72 -16.681 4.277 0.138 1.00 0.00 C ATOM 1165 CD ARG A 72 -17.824 3.283 0.305 1.00 0.00 C ATOM 1166 NE ARG A 72 -19.045 3.916 -0.214 1.00 0.00 N ATOM 1167 CZ ARG A 72 -20.298 3.597 0.118 1.00 0.00 C ATOM 1168 NH1 ARG A 72 -20.562 2.638 0.994 1.00 0.00 N ATOM 1169 NH2 ARG A 72 -21.312 4.260 -0.411 1.00 0.00 N ATOM 0 H ARG A 72 -13.079 3.545 0.787 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.729 5.752 0.217 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.992 3.004 0.588 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.809 3.628 2.007 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.020 5.276 0.413 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.382 4.320 -0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.611 2.361 -0.236 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -17.948 3.015 1.354 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.923 4.669 -0.891 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.798 2.123 1.433 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -21.529 2.415 1.230 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.137 5.016 -1.073 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -22.269 4.016 -0.157 1.00 0.00 H new ATOM 1183 N LYS A 73 -13.808 5.662 3.282 1.00 0.00 N ATOM 1184 CA LYS A 73 -13.701 6.435 4.527 1.00 0.00 C ATOM 1185 C LYS A 73 -12.811 7.683 4.357 1.00 0.00 C ATOM 1186 O LYS A 73 -13.326 8.789 4.443 1.00 0.00 O ATOM 1187 CB LYS A 73 -13.238 5.499 5.648 1.00 0.00 C ATOM 1188 CG LYS A 73 -14.322 5.344 6.723 1.00 0.00 C ATOM 1189 CD LYS A 73 -14.212 6.470 7.755 1.00 0.00 C ATOM 1190 CE LYS A 73 -15.566 7.085 8.119 1.00 0.00 C ATOM 1191 NZ LYS A 73 -16.184 6.522 9.324 1.00 0.00 N ATOM 0 H LYS A 73 -13.119 4.913 3.216 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.678 6.832 4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.992 4.522 5.232 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.327 5.891 6.100 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.308 5.361 6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.219 4.378 7.217 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.741 6.082 8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.558 7.250 7.365 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.438 8.158 8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.249 6.952 7.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.095 6.992 9.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.341 5.503 9.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.555 6.671 10.139 1.00 0.00 H new ATOM 1205 N TYR A 74 -11.614 7.538 3.799 1.00 0.00 N ATOM 1206 CA TYR A 74 -10.695 8.669 3.529 1.00 0.00 C ATOM 1207 C TYR A 74 -11.188 9.634 2.426 1.00 0.00 C ATOM 1208 O TYR A 74 -10.666 10.732 2.276 1.00 0.00 O ATOM 1209 CB TYR A 74 -9.324 8.080 3.192 1.00 0.00 C ATOM 1210 CG TYR A 74 -8.204 9.109 3.183 1.00 0.00 C ATOM 1211 CD1 TYR A 74 -7.519 9.409 4.352 1.00 0.00 C ATOM 1212 CD2 TYR A 74 -7.845 9.700 1.983 1.00 0.00 C ATOM 1213 CE1 TYR A 74 -6.469 10.308 4.312 1.00 0.00 C ATOM 1214 CE2 TYR A 74 -6.784 10.584 1.933 1.00 0.00 C ATOM 1215 CZ TYR A 74 -6.113 10.903 3.105 1.00 0.00 C ATOM 1216 OH TYR A 74 -5.246 11.938 3.110 1.00 0.00 O ATOM 0 H TYR A 74 -11.240 6.633 3.515 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.644 9.292 4.422 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.085 7.301 3.916 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.374 7.601 2.214 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.803 8.945 5.285 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.396 9.469 1.083 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -5.927 10.548 5.215 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.481 11.021 0.993 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.097 12.244 2.191 1.00 0.00 H new ATOM 1226 N MET A 75 -12.159 9.182 1.638 1.00 0.00 N ATOM 1227 CA MET A 75 -12.830 9.944 0.565 1.00 0.00 C ATOM 1228 C MET A 75 -13.939 10.876 1.070 1.00 0.00 C ATOM 1229 O MET A 75 -13.962 12.049 0.709 1.00 0.00 O ATOM 1230 CB MET A 75 -13.414 8.968 -0.462 1.00 0.00 C ATOM 1231 CG MET A 75 -12.399 8.550 -1.527 1.00 0.00 C ATOM 1232 SD MET A 75 -12.470 9.624 -3.008 1.00 0.00 S ATOM 1233 CE MET A 75 -10.923 10.492 -2.877 1.00 0.00 C ATOM 0 H MET A 75 -12.523 8.233 1.726 1.00 0.00 H new ATOM 0 HA MET A 75 -12.070 10.582 0.114 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.779 8.080 0.054 1.00 0.00 H new ATOM 0 HB3 MET A 75 -14.274 9.430 -0.947 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.395 8.584 -1.103 1.00 0.00 H new ATOM 0 HG3 MET A 75 -12.587 7.517 -1.820 1.00 0.00 H new ATOM 0 HE1 MET A 75 -10.973 11.414 -3.456 1.00 0.00 H new ATOM 0 HE2 MET A 75 -10.727 10.730 -1.832 1.00 0.00 H new ATOM 0 HE3 MET A 75 -10.120 9.864 -3.263 1.00 0.00 H new ATOM 1243 N LYS A 76 -14.814 10.346 1.927 1.00 0.00 N ATOM 1244 CA LYS A 76 -15.932 11.125 2.496 1.00 0.00 C ATOM 1245 C LYS A 76 -15.616 11.714 3.875 1.00 0.00 C ATOM 1246 O LYS A 76 -15.848 12.894 4.115 1.00 0.00 O ATOM 1247 CB LYS A 76 -17.222 10.305 2.576 1.00 0.00 C ATOM 1248 CG LYS A 76 -18.152 10.632 1.405 1.00 0.00 C ATOM 1249 CD LYS A 76 -19.443 9.818 1.515 1.00 0.00 C ATOM 1250 CE LYS A 76 -20.260 9.861 0.220 1.00 0.00 C ATOM 1251 NZ LYS A 76 -21.336 10.865 0.232 1.00 0.00 N ATOM 0 H LYS A 76 -14.775 9.378 2.247 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.079 11.954 1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.982 9.242 2.569 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.731 10.511 3.518 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.384 11.697 1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.653 10.411 0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.200 8.783 1.756 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -20.046 10.204 2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -19.591 10.069 -0.615 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -20.695 8.877 0.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.846 10.838 -0.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.997 10.657 1.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -20.927 11.811 0.371 1.00 0.00 H new ATOM 1265 N SER A 77 -15.042 10.883 4.739 1.00 0.00 N ATOM 1266 CA SER A 77 -14.555 11.316 6.064 1.00 0.00 C ATOM 1267 C SER A 77 -13.314 12.202 5.899 1.00 0.00 C ATOM 1268 O SER A 77 -13.160 13.151 6.662 1.00 0.00 O ATOM 1269 CB SER A 77 -14.221 10.093 6.920 1.00 0.00 C ATOM 1270 OG SER A 77 -14.165 10.367 8.320 1.00 0.00 O ATOM 0 H SER A 77 -14.897 9.891 4.551 1.00 0.00 H new ATOM 0 HA SER A 77 -15.335 11.892 6.562 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.968 9.320 6.740 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.261 9.688 6.600 1.00 0.00 H new ATOM 0 HG SER A 77 -13.851 11.284 8.461 1.00 0.00 H new ATOM 1276 N GLY A 78 -12.424 11.856 4.944 1.00 0.00 N ATOM 1277 CA GLY A 78 -11.208 12.651 4.649 1.00 0.00 C ATOM 1278 C GLY A 78 -10.403 12.989 5.911 1.00 0.00 C ATOM 1279 O GLY A 78 -9.694 13.991 5.998 1.00 0.00 O ATOM 0 H GLY A 78 -12.525 11.026 4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.575 12.096 3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.495 13.575 4.148 1.00 0.00 H new ATOM 1283 N ASN A 79 -10.476 12.059 6.855 1.00 0.00 N ATOM 1284 CA ASN A 79 -9.909 12.233 8.190 1.00 0.00 C ATOM 1285 C ASN A 79 -8.574 11.510 8.207 1.00 0.00 C ATOM 1286 O ASN A 79 -8.485 10.290 8.034 1.00 0.00 O ATOM 1287 CB ASN A 79 -10.853 11.688 9.272 1.00 0.00 C ATOM 1288 CG ASN A 79 -11.626 12.799 9.992 1.00 0.00 C ATOM 1289 OD1 ASN A 79 -12.093 13.777 9.429 1.00 0.00 O ATOM 1290 ND2 ASN A 79 -11.709 12.710 11.301 1.00 0.00 N ATOM 0 H ASN A 79 -10.932 11.157 6.717 1.00 0.00 H new ATOM 0 HA ASN A 79 -9.771 13.292 8.411 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -11.560 10.995 8.817 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -10.275 11.121 10.002 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -12.160 13.453 11.835 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -11.323 11.898 11.782 1.00 0.00 H new ATOM 1297 N VAL A 80 -7.554 12.319 8.483 1.00 0.00 N ATOM 1298 CA VAL A 80 -6.181 11.830 8.735 1.00 0.00 C ATOM 1299 C VAL A 80 -6.177 10.756 9.839 1.00 0.00 C ATOM 1300 O VAL A 80 -5.287 9.926 9.845 1.00 0.00 O ATOM 1301 CB VAL A 80 -5.196 12.988 9.017 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -3.774 12.524 9.366 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -5.079 13.889 7.784 1.00 0.00 C ATOM 0 H VAL A 80 -7.645 13.333 8.541 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.820 11.352 7.824 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.610 13.512 9.878 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.143 13.393 9.550 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.804 11.901 10.260 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.365 11.948 8.536 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.383 14.702 7.992 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.713 13.305 6.940 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.058 14.303 7.541 1.00 0.00 H new ATOM 1313 N LYS A 81 -7.272 10.602 10.576 1.00 0.00 N ATOM 1314 CA LYS A 81 -7.479 9.506 11.544 1.00 0.00 C ATOM 1315 C LYS A 81 -7.306 8.097 10.936 1.00 0.00 C ATOM 1316 O LYS A 81 -6.747 7.211 11.580 1.00 0.00 O ATOM 1317 CB LYS A 81 -8.834 9.691 12.244 1.00 0.00 C ATOM 1318 CG LYS A 81 -9.001 11.082 12.884 1.00 0.00 C ATOM 1319 CD LYS A 81 -7.792 11.468 13.745 1.00 0.00 C ATOM 1320 CE LYS A 81 -7.971 12.787 14.489 1.00 0.00 C ATOM 1321 NZ LYS A 81 -6.792 12.987 15.342 1.00 0.00 N ATOM 0 H LYS A 81 -8.063 11.244 10.523 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.687 9.569 12.290 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.634 9.532 11.521 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.945 8.928 13.014 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.141 11.827 12.101 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.901 11.093 13.498 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.603 10.675 14.468 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.910 11.536 13.109 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.076 13.612 13.784 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.879 12.765 15.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.888 13.882 15.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.715 12.200 16.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.937 13.020 14.751 1.00 0.00 H new ATOM 1335 N ASP A 82 -7.583 7.983 9.634 1.00 0.00 N ATOM 1336 CA ASP A 82 -7.243 6.786 8.833 1.00 0.00 C ATOM 1337 C ASP A 82 -5.780 6.758 8.353 1.00 0.00 C ATOM 1338 O ASP A 82 -5.095 5.752 8.524 1.00 0.00 O ATOM 1339 CB ASP A 82 -8.183 6.625 7.631 1.00 0.00 C ATOM 1340 CG ASP A 82 -9.597 6.166 8.012 1.00 0.00 C ATOM 1341 OD1 ASP A 82 -9.739 5.512 9.069 1.00 0.00 O ATOM 1342 OD2 ASP A 82 -10.519 6.528 7.250 1.00 0.00 O ATOM 0 H ASP A 82 -8.050 8.715 9.098 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.375 5.944 9.513 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.249 7.576 7.103 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.751 5.904 6.937 1.00 0.00 H new ATOM 1347 N LEU A 83 -5.267 7.923 7.960 1.00 0.00 N ATOM 1348 CA LEU A 83 -3.891 8.085 7.451 1.00 0.00 C ATOM 1349 C LEU A 83 -2.822 7.991 8.551 1.00 0.00 C ATOM 1350 O LEU A 83 -1.893 7.218 8.399 1.00 0.00 O ATOM 1351 CB LEU A 83 -3.754 9.404 6.678 1.00 0.00 C ATOM 1352 CG LEU A 83 -2.902 9.326 5.398 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -1.422 9.031 5.669 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -3.492 8.329 4.394 1.00 0.00 C ATOM 0 H LEU A 83 -5.795 8.795 7.983 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.712 7.249 6.775 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.751 9.756 6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -3.318 10.152 7.341 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.936 10.321 4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.880 8.990 4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.002 9.819 6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.330 8.074 6.182 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.867 8.298 3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.530 7.338 4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.500 8.642 4.120 1.00 0.00 H new ATOM 1366 N THR A 84 -3.050 8.611 9.706 1.00 0.00 N ATOM 1367 CA THR A 84 -2.197 8.522 10.916 1.00 0.00 C ATOM 1368 C THR A 84 -1.942 7.060 11.345 1.00 0.00 C ATOM 1369 O THR A 84 -0.811 6.659 11.610 1.00 0.00 O ATOM 1370 CB THR A 84 -2.781 9.357 12.081 1.00 0.00 C ATOM 1371 OG1 THR A 84 -1.888 9.321 13.193 1.00 0.00 O ATOM 1372 CG2 THR A 84 -4.166 8.922 12.569 1.00 0.00 C ATOM 0 H THR A 84 -3.861 9.215 9.843 1.00 0.00 H new ATOM 0 HA THR A 84 -1.229 8.948 10.652 1.00 0.00 H new ATOM 0 HB THR A 84 -2.898 10.361 11.673 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.260 9.852 13.928 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.484 9.570 13.386 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.880 8.995 11.749 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.121 7.891 12.920 1.00 0.00 H new ATOM 1380 N GLN A 85 -2.966 6.239 11.119 1.00 0.00 N ATOM 1381 CA GLN A 85 -2.933 4.790 11.390 1.00 0.00 C ATOM 1382 C GLN A 85 -2.293 4.008 10.236 1.00 0.00 C ATOM 1383 O GLN A 85 -1.304 3.306 10.435 1.00 0.00 O ATOM 1384 CB GLN A 85 -4.361 4.331 11.671 1.00 0.00 C ATOM 1385 CG GLN A 85 -4.433 3.794 13.100 1.00 0.00 C ATOM 1386 CD GLN A 85 -4.298 2.273 13.123 1.00 0.00 C ATOM 1387 OE1 GLN A 85 -3.236 1.683 12.953 1.00 0.00 O ATOM 1388 NE2 GLN A 85 -5.425 1.617 13.263 1.00 0.00 N ATOM 0 H GLN A 85 -3.856 6.559 10.738 1.00 0.00 H new ATOM 0 HA GLN A 85 -2.307 4.591 12.260 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.056 5.161 11.544 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -4.655 3.557 10.962 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -3.641 4.242 13.700 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -5.380 4.085 13.554 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.298 2.126 13.403 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.429 0.597 13.231 1.00 0.00 H new ATOM 1397 N ALA A 86 -2.702 4.373 9.020 1.00 0.00 N ATOM 1398 CA ALA A 86 -2.080 3.923 7.763 1.00 0.00 C ATOM 1399 C ALA A 86 -0.577 4.226 7.727 1.00 0.00 C ATOM 1400 O ALA A 86 0.173 3.409 7.220 1.00 0.00 O ATOM 1401 CB ALA A 86 -2.768 4.608 6.579 1.00 0.00 C ATOM 0 H ALA A 86 -3.491 5.003 8.873 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.203 2.842 7.699 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.308 4.275 5.649 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.827 4.348 6.573 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.660 5.689 6.671 1.00 0.00 H new ATOM 1407 N TRP A 87 -0.135 5.263 8.431 1.00 0.00 N ATOM 1408 CA TRP A 87 1.271 5.677 8.530 1.00 0.00 C ATOM 1409 C TRP A 87 2.090 4.646 9.306 1.00 0.00 C ATOM 1410 O TRP A 87 2.938 3.994 8.707 1.00 0.00 O ATOM 1411 CB TRP A 87 1.364 7.054 9.193 1.00 0.00 C ATOM 1412 CG TRP A 87 2.576 7.820 8.658 1.00 0.00 C ATOM 1413 CD1 TRP A 87 3.528 8.411 9.381 1.00 0.00 C ATOM 1414 CD2 TRP A 87 2.860 8.034 7.323 1.00 0.00 C ATOM 1415 NE1 TRP A 87 4.398 8.999 8.559 1.00 0.00 N ATOM 1416 CE2 TRP A 87 4.026 8.793 7.303 1.00 0.00 C ATOM 1417 CE3 TRP A 87 2.235 7.660 6.139 1.00 0.00 C ATOM 1418 CZ2 TRP A 87 4.549 9.182 6.083 1.00 0.00 C ATOM 1419 CZ3 TRP A 87 2.749 8.080 4.923 1.00 0.00 C ATOM 1420 CH2 TRP A 87 3.902 8.843 4.903 1.00 0.00 C ATOM 0 H TRP A 87 -0.762 5.862 8.968 1.00 0.00 H new ATOM 0 HA TRP A 87 1.686 5.743 7.524 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.453 7.620 9.000 1.00 0.00 H new ATOM 0 HB3 TRP A 87 1.445 6.940 10.274 1.00 0.00 H new ATOM 0 HD1 TRP A 87 3.585 8.413 10.459 1.00 0.00 H new ATOM 0 HE1 TRP A 87 5.221 9.525 8.851 1.00 0.00 H new ATOM 0 HE3 TRP A 87 1.349 7.042 6.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 5.465 9.752 6.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 2.254 7.814 4.000 1.00 0.00 H new ATOM 0 HH2 TRP A 87 4.304 9.179 3.958 1.00 0.00 H new ATOM 1431 N ASP A 88 1.565 4.279 10.474 1.00 0.00 N ATOM 1432 CA ASP A 88 2.170 3.220 11.296 1.00 0.00 C ATOM 1433 C ASP A 88 2.045 1.865 10.588 1.00 0.00 C ATOM 1434 O ASP A 88 3.037 1.164 10.529 1.00 0.00 O ATOM 1435 CB ASP A 88 1.560 3.162 12.700 1.00 0.00 C ATOM 1436 CG ASP A 88 2.569 2.636 13.733 1.00 0.00 C ATOM 1437 OD1 ASP A 88 3.742 3.068 13.668 1.00 0.00 O ATOM 1438 OD2 ASP A 88 2.136 1.853 14.603 1.00 0.00 O ATOM 0 H ASP A 88 0.725 4.695 10.876 1.00 0.00 H new ATOM 0 HA ASP A 88 3.226 3.459 11.419 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.224 4.157 12.993 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.680 2.518 12.689 1.00 0.00 H new ATOM 1443 N LEU A 89 0.956 1.629 9.855 1.00 0.00 N ATOM 1444 CA LEU A 89 0.750 0.380 9.093 1.00 0.00 C ATOM 1445 C LEU A 89 1.676 0.262 7.872 1.00 0.00 C ATOM 1446 O LEU A 89 2.413 -0.710 7.747 1.00 0.00 O ATOM 1447 CB LEU A 89 -0.721 0.250 8.682 1.00 0.00 C ATOM 1448 CG LEU A 89 -1.673 0.161 9.883 1.00 0.00 C ATOM 1449 CD1 LEU A 89 -3.118 0.246 9.394 1.00 0.00 C ATOM 1450 CD2 LEU A 89 -1.459 -1.122 10.697 1.00 0.00 C ATOM 0 H LEU A 89 0.187 2.294 9.768 1.00 0.00 H new ATOM 0 HA LEU A 89 1.013 -0.446 9.754 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.998 1.107 8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.842 -0.638 8.062 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.457 0.999 10.546 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.795 0.183 10.246 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.272 1.193 8.878 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.319 -0.578 8.709 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.155 -1.141 11.536 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.634 -1.990 10.061 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.436 -1.148 11.073 1.00 0.00 H new ATOM 1462 N TYR A 90 1.715 1.321 7.068 1.00 0.00 N ATOM 1463 CA TYR A 90 2.613 1.493 5.913 1.00 0.00 C ATOM 1464 C TYR A 90 4.085 1.447 6.307 1.00 0.00 C ATOM 1465 O TYR A 90 4.833 0.757 5.633 1.00 0.00 O ATOM 1466 CB TYR A 90 2.349 2.811 5.175 1.00 0.00 C ATOM 1467 CG TYR A 90 1.020 2.820 4.417 1.00 0.00 C ATOM 1468 CD1 TYR A 90 0.647 1.724 3.644 1.00 0.00 C ATOM 1469 CD2 TYR A 90 0.266 3.985 4.362 1.00 0.00 C ATOM 1470 CE1 TYR A 90 -0.457 1.796 2.810 1.00 0.00 C ATOM 1471 CE2 TYR A 90 -0.854 4.053 3.546 1.00 0.00 C ATOM 1472 CZ TYR A 90 -1.215 2.957 2.774 1.00 0.00 C ATOM 1473 OH TYR A 90 -2.361 2.981 2.055 1.00 0.00 O ATOM 0 H TYR A 90 1.098 2.122 7.203 1.00 0.00 H new ATOM 0 HA TYR A 90 2.397 0.654 5.252 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.356 3.630 5.894 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.162 2.996 4.473 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.222 0.811 3.695 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.552 4.840 4.956 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.726 0.953 2.191 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.444 4.957 3.511 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.777 3.865 2.132 1.00 0.00 H new ATOM 1483 N TYR A 91 4.433 2.071 7.428 1.00 0.00 N ATOM 1484 CA TYR A 91 5.793 2.066 8.002 1.00 0.00 C ATOM 1485 C TYR A 91 6.162 0.713 8.643 1.00 0.00 C ATOM 1486 O TYR A 91 7.233 0.164 8.393 1.00 0.00 O ATOM 1487 CB TYR A 91 5.870 3.187 9.045 1.00 0.00 C ATOM 1488 CG TYR A 91 7.302 3.608 9.367 1.00 0.00 C ATOM 1489 CD1 TYR A 91 8.168 2.733 10.015 1.00 0.00 C ATOM 1490 CD2 TYR A 91 7.733 4.877 9.010 1.00 0.00 C ATOM 1491 CE1 TYR A 91 9.466 3.121 10.291 1.00 0.00 C ATOM 1492 CE2 TYR A 91 9.033 5.274 9.296 1.00 0.00 C ATOM 1493 CZ TYR A 91 9.893 4.397 9.946 1.00 0.00 C ATOM 1494 OH TYR A 91 11.128 4.803 10.329 1.00 0.00 O ATOM 0 H TYR A 91 3.768 2.610 7.983 1.00 0.00 H new ATOM 0 HA TYR A 91 6.511 2.228 7.198 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.316 4.052 8.681 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.380 2.857 9.961 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.826 1.750 10.303 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.058 5.556 8.510 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.146 2.434 10.773 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.374 6.259 9.015 1.00 0.00 H new ATOM 0 HH TYR A 91 11.284 5.718 10.013 1.00 0.00 H new ATOM 1504 N HIS A 92 5.242 0.160 9.431 1.00 0.00 N ATOM 1505 CA HIS A 92 5.404 -1.141 10.121 1.00 0.00 C ATOM 1506 C HIS A 92 5.576 -2.269 9.096 1.00 0.00 C ATOM 1507 O HIS A 92 6.376 -3.180 9.284 1.00 0.00 O ATOM 1508 CB HIS A 92 4.172 -1.426 10.987 1.00 0.00 C ATOM 1509 CG HIS A 92 4.276 -2.709 11.820 1.00 0.00 C ATOM 1510 ND1 HIS A 92 5.217 -2.973 12.710 1.00 0.00 N ATOM 1511 CD2 HIS A 92 3.471 -3.757 11.719 1.00 0.00 C ATOM 1512 CE1 HIS A 92 5.001 -4.212 13.164 1.00 0.00 C ATOM 1513 NE2 HIS A 92 3.923 -4.692 12.554 1.00 0.00 N ATOM 0 H HIS A 92 4.343 0.603 9.618 1.00 0.00 H new ATOM 0 HA HIS A 92 6.292 -1.093 10.752 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.009 -0.582 11.658 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.296 -1.494 10.342 1.00 0.00 H new ATOM 0 HD2 HIS A 92 2.606 -3.838 11.077 1.00 0.00 H new ATOM 0 HE1 HIS A 92 5.599 -4.732 13.898 1.00 0.00 H new ATOM 0 HE2 HIS A 92 3.513 -5.615 12.699 1.00 0.00 H new ATOM 1521 N VAL A 93 4.837 -2.133 7.997 1.00 0.00 N ATOM 1522 CA VAL A 93 4.927 -3.054 6.860 1.00 0.00 C ATOM 1523 C VAL A 93 6.075 -2.691 5.908 1.00 0.00 C ATOM 1524 O VAL A 93 6.662 -3.609 5.359 1.00 0.00 O ATOM 1525 CB VAL A 93 3.563 -3.230 6.169 1.00 0.00 C ATOM 1526 CG1 VAL A 93 3.211 -2.182 5.105 1.00 0.00 C ATOM 1527 CG2 VAL A 93 3.446 -4.653 5.629 1.00 0.00 C ATOM 0 H VAL A 93 4.159 -1.383 7.867 1.00 0.00 H new ATOM 0 HA VAL A 93 5.189 -4.039 7.245 1.00 0.00 H new ATOM 0 HB VAL A 93 2.814 -3.056 6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.230 -2.405 4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.195 -1.192 5.561 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.958 -2.204 4.312 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.480 -4.778 5.140 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.244 -4.836 4.909 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.530 -5.363 6.452 1.00 0.00 H new ATOM 1537 N PHE A 94 6.396 -1.407 5.748 1.00 0.00 N ATOM 1538 CA PHE A 94 7.528 -0.885 4.943 1.00 0.00 C ATOM 1539 C PHE A 94 8.792 -1.747 5.063 1.00 0.00 C ATOM 1540 O PHE A 94 9.496 -1.944 4.076 1.00 0.00 O ATOM 1541 CB PHE A 94 7.809 0.557 5.402 1.00 0.00 C ATOM 1542 CG PHE A 94 9.094 1.204 4.890 1.00 0.00 C ATOM 1543 CD1 PHE A 94 10.312 0.803 5.428 1.00 0.00 C ATOM 1544 CD2 PHE A 94 9.060 2.124 3.850 1.00 0.00 C ATOM 1545 CE1 PHE A 94 11.501 1.287 4.912 1.00 0.00 C ATOM 1546 CE2 PHE A 94 10.253 2.628 3.349 1.00 0.00 C ATOM 1547 CZ PHE A 94 11.471 2.207 3.870 1.00 0.00 C ATOM 0 H PHE A 94 5.858 -0.661 6.190 1.00 0.00 H new ATOM 0 HA PHE A 94 7.249 -0.912 3.890 1.00 0.00 H new ATOM 0 HB2 PHE A 94 6.969 1.181 5.096 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.834 0.568 6.492 1.00 0.00 H new ATOM 0 HD1 PHE A 94 10.330 0.108 6.255 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.116 2.444 3.435 1.00 0.00 H new ATOM 0 HE1 PHE A 94 12.445 0.953 5.316 1.00 0.00 H new ATOM 0 HE2 PHE A 94 10.234 3.353 2.548 1.00 0.00 H new ATOM 0 HZ PHE A 94 12.394 2.595 3.465 1.00 0.00 H new ATOM 1557 N ARG A 95 9.013 -2.256 6.272 1.00 0.00 N ATOM 1558 CA ARG A 95 10.124 -3.162 6.605 1.00 0.00 C ATOM 1559 C ARG A 95 9.823 -4.657 6.397 1.00 0.00 C ATOM 1560 O ARG A 95 10.629 -5.410 5.855 1.00 0.00 O ATOM 1561 CB ARG A 95 10.538 -2.913 8.049 1.00 0.00 C ATOM 1562 CG ARG A 95 11.913 -2.255 8.037 1.00 0.00 C ATOM 1563 CD ARG A 95 12.705 -2.688 9.274 1.00 0.00 C ATOM 1564 NE ARG A 95 12.269 -1.988 10.476 1.00 0.00 N ATOM 1565 CZ ARG A 95 12.681 -2.336 11.745 1.00 0.00 C ATOM 1566 NH1 ARG A 95 13.550 -3.295 11.890 1.00 0.00 N ATOM 1567 NH2 ARG A 95 12.310 -1.633 12.781 1.00 0.00 N ATOM 0 H ARG A 95 8.414 -2.049 7.071 1.00 0.00 H new ATOM 0 HA ARG A 95 10.930 -2.934 5.908 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.812 -2.271 8.548 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.569 -3.851 8.604 1.00 0.00 H new ATOM 0 HG2 ARG A 95 12.452 -2.535 7.132 1.00 0.00 H new ATOM 0 HG3 ARG A 95 11.807 -1.170 8.023 1.00 0.00 H new ATOM 0 HD2 ARG A 95 12.591 -3.762 9.419 1.00 0.00 H new ATOM 0 HD3 ARG A 95 13.766 -2.499 9.109 1.00 0.00 H new ATOM 0 HE ARG A 95 11.627 -1.202 10.373 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.917 -3.779 11.070 1.00 0.00 H new ATOM 0 HH12 ARG A 95 13.863 -3.562 12.823 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.710 -0.818 12.656 1.00 0.00 H new ATOM 0 HH22 ARG A 95 12.620 -1.899 13.715 1.00 0.00 H new ATOM 1581 N ARG A 96 8.584 -5.029 6.690 1.00 0.00 N ATOM 1582 CA ARG A 96 8.032 -6.385 6.509 1.00 0.00 C ATOM 1583 C ARG A 96 7.914 -6.805 5.040 1.00 0.00 C ATOM 1584 O ARG A 96 8.719 -7.594 4.552 1.00 0.00 O ATOM 1585 CB ARG A 96 6.684 -6.449 7.231 1.00 0.00 C ATOM 1586 CG ARG A 96 6.852 -7.016 8.637 1.00 0.00 C ATOM 1587 CD ARG A 96 7.805 -6.217 9.531 1.00 0.00 C ATOM 1588 NE ARG A 96 8.589 -7.181 10.318 1.00 0.00 N ATOM 1589 CZ ARG A 96 8.162 -7.889 11.365 1.00 0.00 C ATOM 1590 NH1 ARG A 96 6.901 -7.831 11.779 1.00 0.00 N ATOM 1591 NH2 ARG A 96 8.994 -8.718 11.970 1.00 0.00 N ATOM 0 H ARG A 96 7.901 -4.377 7.076 1.00 0.00 H new ATOM 0 HA ARG A 96 8.727 -7.104 6.943 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.247 -5.452 7.285 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.991 -7.070 6.663 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.874 -7.061 9.117 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.217 -8.040 8.561 1.00 0.00 H new ATOM 0 HD2 ARG A 96 8.462 -5.591 8.927 1.00 0.00 H new ATOM 0 HD3 ARG A 96 7.246 -5.551 10.188 1.00 0.00 H new ATOM 0 HE ARG A 96 9.558 -7.323 10.034 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.232 -7.234 11.293 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.602 -8.383 12.583 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.953 -8.812 11.636 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.677 -9.264 12.771 1.00 0.00 H new ATOM 1605 N ILE A 97 7.049 -6.111 4.301 1.00 0.00 N ATOM 1606 CA ILE A 97 6.922 -6.291 2.835 1.00 0.00 C ATOM 1607 C ILE A 97 8.238 -6.033 2.084 1.00 0.00 C ATOM 1608 O ILE A 97 8.411 -6.558 0.986 1.00 0.00 O ATOM 1609 CB ILE A 97 5.811 -5.459 2.179 1.00 0.00 C ATOM 1610 CG1 ILE A 97 5.834 -3.991 2.618 1.00 0.00 C ATOM 1611 CG2 ILE A 97 4.469 -6.166 2.385 1.00 0.00 C ATOM 1612 CD1 ILE A 97 5.078 -3.031 1.704 1.00 0.00 C ATOM 0 H ILE A 97 6.416 -5.411 4.687 1.00 0.00 H new ATOM 0 HA ILE A 97 6.646 -7.342 2.743 1.00 0.00 H new ATOM 0 HB ILE A 97 5.986 -5.401 1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.413 -3.921 3.621 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.872 -3.664 2.684 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.675 -5.581 1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.505 -7.155 1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.271 -6.266 3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.153 -2.018 2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.511 -3.064 0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.029 -3.325 1.655 1.00 0.00 H new ATOM 1624 N SER A 98 9.145 -5.304 2.743 1.00 0.00 N ATOM 1625 CA SER A 98 10.496 -5.019 2.236 1.00 0.00 C ATOM 1626 C SER A 98 11.270 -6.324 2.001 1.00 0.00 C ATOM 1627 O SER A 98 11.548 -6.666 0.856 1.00 0.00 O ATOM 1628 CB SER A 98 11.292 -4.154 3.214 1.00 0.00 C ATOM 1629 OG SER A 98 12.213 -3.376 2.459 1.00 0.00 O ATOM 0 H SER A 98 8.961 -4.889 3.656 1.00 0.00 H new ATOM 0 HA SER A 98 10.376 -4.479 1.297 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.624 -3.508 3.783 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.821 -4.779 3.934 1.00 0.00 H new ATOM 0 HG SER A 98 11.931 -3.355 1.521 1.00 0.00 H new ATOM 1635 N LYS A 99 11.453 -7.100 3.071 1.00 0.00 N ATOM 1636 CA LYS A 99 12.170 -8.395 3.037 1.00 0.00 C ATOM 1637 C LYS A 99 12.064 -9.158 4.370 1.00 0.00 C ATOM 1638 O LYS A 99 13.049 -9.619 4.942 1.00 0.00 O ATOM 1639 CB LYS A 99 13.648 -8.254 2.605 1.00 0.00 C ATOM 1640 CG LYS A 99 14.476 -7.298 3.477 1.00 0.00 C ATOM 1641 CD LYS A 99 15.916 -7.778 3.706 1.00 0.00 C ATOM 1642 CE LYS A 99 16.067 -8.761 4.878 1.00 0.00 C ATOM 1643 NZ LYS A 99 16.149 -10.174 4.470 1.00 0.00 N ATOM 0 H LYS A 99 11.108 -6.853 3.999 1.00 0.00 H new ATOM 0 HA LYS A 99 11.665 -8.985 2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.115 -9.239 2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.680 -7.905 1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.499 -6.315 3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.983 -7.178 4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.278 -8.255 2.796 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.553 -6.912 3.887 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.964 -8.504 5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.221 -8.637 5.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.283 -10.771 5.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 15.269 -10.448 3.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.953 -10.302 3.822 1.00 0.00 H new