USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=16 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 21 SER OG : rot -26:sc= 0.454 USER MOD Set 1.2: A 90 TYR OH : rot -39:sc= -0.654 USER MOD Set 2.1: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 92 HIS : no HD1:sc=-0.000899 X(o=-0.0009,f=0.11) USER MOD Set 3.1: A 54 THR OG1 : rot 33:sc= 0.936 USER MOD Set 3.2: A 57 ASN : amide:sc= -4.5! C(o=-3.6!,f=-7.7!) USER MOD Single : A 10 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-0.14) USER MOD Single : A 12 MET CE :methyl 152:sc= 0 (180deg=-0.911) USER MOD Single : A 14 HIS : no HD1:sc= -1.23 X(o=-1.2,f=-1.1) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.1) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -165:sc= -0.031 (180deg=-0.303) USER MOD Single : A 41 HIS : no HD1:sc= -0.0309 X(o=-0.031,f=-0.0054) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 163:sc= -0.183 (180deg=-0.673) USER MOD Single : A 49 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.74) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.095 X(o=-0.095,f=-0.12) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.95! C(o=-2.9!,f=-4.6!) USER MOD Single : A 71 CYS SG : rot 180:sc= -0.439 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 73:sc= 1.36 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) 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= -0.097 K(o=-0.097,f=-0.82) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -1.32 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 7 6.875 -9.264 -12.361 1.00 0.00 N ATOM 106 CA ILE A 7 6.283 -7.956 -12.011 1.00 0.00 C ATOM 107 C ILE A 7 5.133 -8.167 -11.007 1.00 0.00 C ATOM 108 O ILE A 7 3.948 -7.934 -11.247 1.00 0.00 O ATOM 109 CB ILE A 7 5.933 -7.134 -13.279 1.00 0.00 C ATOM 110 CG1 ILE A 7 6.000 -5.611 -13.045 1.00 0.00 C ATOM 111 CG2 ILE A 7 4.678 -7.570 -14.054 1.00 0.00 C ATOM 112 CD1 ILE A 7 5.333 -5.011 -11.797 1.00 0.00 C ATOM 0 HA ILE A 7 7.011 -7.329 -11.497 1.00 0.00 H new ATOM 0 HB ILE A 7 6.740 -7.391 -13.965 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.053 -5.329 -13.021 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.560 -5.126 -13.916 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.540 -6.920 -14.918 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.798 -8.600 -14.390 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.806 -7.500 -13.404 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.477 -3.931 -11.791 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.266 -5.235 -11.811 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.782 -5.441 -10.902 1.00 0.00 H new ATOM 124 N LEU A 8 5.526 -8.722 -9.873 1.00 0.00 N ATOM 125 CA LEU A 8 4.586 -9.023 -8.786 1.00 0.00 C ATOM 126 C LEU A 8 4.046 -7.702 -8.200 1.00 0.00 C ATOM 127 O LEU A 8 4.376 -6.606 -8.653 1.00 0.00 O ATOM 128 CB LEU A 8 5.273 -9.926 -7.747 1.00 0.00 C ATOM 129 CG LEU A 8 6.023 -11.153 -8.299 1.00 0.00 C ATOM 130 CD1 LEU A 8 6.498 -12.005 -7.123 1.00 0.00 C ATOM 131 CD2 LEU A 8 5.222 -12.000 -9.298 1.00 0.00 C ATOM 0 H LEU A 8 6.493 -8.978 -9.673 1.00 0.00 H new ATOM 0 HA LEU A 8 3.724 -9.578 -9.155 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.980 -9.319 -7.180 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.517 -10.275 -7.044 1.00 0.00 H new ATOM 0 HG LEU A 8 6.867 -10.775 -8.876 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.031 -12.878 -7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.164 -11.416 -6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.638 -12.329 -6.538 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.830 -12.841 -9.632 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.319 -12.374 -8.816 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.947 -11.387 -10.157 1.00 0.00 H new ATOM 143 N TRP A 9 3.313 -7.814 -7.104 1.00 0.00 N ATOM 144 CA TRP A 9 2.729 -6.637 -6.435 1.00 0.00 C ATOM 145 C TRP A 9 3.529 -6.184 -5.217 1.00 0.00 C ATOM 146 O TRP A 9 3.903 -5.022 -5.152 1.00 0.00 O ATOM 147 CB TRP A 9 1.260 -6.834 -6.072 1.00 0.00 C ATOM 148 CG TRP A 9 0.362 -6.937 -7.312 1.00 0.00 C ATOM 149 CD1 TRP A 9 0.560 -6.361 -8.504 1.00 0.00 C ATOM 150 CD2 TRP A 9 -0.910 -7.457 -7.310 1.00 0.00 C ATOM 151 NE1 TRP A 9 -0.547 -6.465 -9.231 1.00 0.00 N ATOM 152 CE2 TRP A 9 -1.467 -7.122 -8.550 1.00 0.00 C ATOM 153 CE3 TRP A 9 -1.690 -8.031 -6.310 1.00 0.00 C ATOM 154 CZ2 TRP A 9 -2.812 -7.361 -8.778 1.00 0.00 C ATOM 155 CZ3 TRP A 9 -3.020 -8.306 -6.561 1.00 0.00 C ATOM 156 CH2 TRP A 9 -3.576 -7.958 -7.795 1.00 0.00 C ATOM 0 H TRP A 9 3.102 -8.703 -6.650 1.00 0.00 H new ATOM 0 HA TRP A 9 2.783 -5.837 -7.174 1.00 0.00 H new ATOM 0 HB2 TRP A 9 1.154 -7.739 -5.473 1.00 0.00 H new ATOM 0 HB3 TRP A 9 0.926 -6.001 -5.453 1.00 0.00 H new ATOM 0 HD1 TRP A 9 1.476 -5.886 -8.824 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -0.668 -6.093 -10.173 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -1.259 -8.259 -5.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.261 -7.082 -9.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -3.627 -8.787 -5.808 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -4.620 -8.159 -7.983 1.00 0.00 H new ATOM 167 N HIS A 10 4.058 -7.154 -4.474 1.00 0.00 N ATOM 168 CA HIS A 10 5.045 -6.910 -3.396 1.00 0.00 C ATOM 169 C HIS A 10 6.248 -6.058 -3.876 1.00 0.00 C ATOM 170 O HIS A 10 6.726 -5.179 -3.167 1.00 0.00 O ATOM 171 CB HIS A 10 5.427 -8.296 -2.845 1.00 0.00 C ATOM 172 CG HIS A 10 6.897 -8.529 -2.455 1.00 0.00 C ATOM 173 ND1 HIS A 10 7.389 -8.709 -1.233 1.00 0.00 N ATOM 174 CD2 HIS A 10 7.906 -8.603 -3.313 1.00 0.00 C ATOM 175 CE1 HIS A 10 8.711 -8.853 -1.345 1.00 0.00 C ATOM 176 NE2 HIS A 10 9.026 -8.802 -2.633 1.00 0.00 N ATOM 0 H HIS A 10 3.821 -8.139 -4.594 1.00 0.00 H new ATOM 0 HA HIS A 10 4.623 -6.303 -2.595 1.00 0.00 H new ATOM 0 HB2 HIS A 10 4.812 -8.489 -1.966 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.156 -9.041 -3.593 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.828 -8.516 -4.387 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.405 -8.988 -0.528 1.00 0.00 H new ATOM 0 HE2 HIS A 10 9.961 -8.899 -3.028 1.00 0.00 H new ATOM 184 N GLU A 11 6.595 -6.239 -5.153 1.00 0.00 N ATOM 185 CA GLU A 11 7.732 -5.570 -5.819 1.00 0.00 C ATOM 186 C GLU A 11 7.425 -4.083 -6.050 1.00 0.00 C ATOM 187 O GLU A 11 8.081 -3.207 -5.485 1.00 0.00 O ATOM 188 CB GLU A 11 8.022 -6.252 -7.164 1.00 0.00 C ATOM 189 CG GLU A 11 8.324 -7.754 -7.063 1.00 0.00 C ATOM 190 CD GLU A 11 9.678 -8.109 -6.432 1.00 0.00 C ATOM 191 OE1 GLU A 11 10.030 -7.500 -5.400 1.00 0.00 O ATOM 192 OE2 GLU A 11 10.341 -8.976 -7.037 1.00 0.00 O ATOM 0 H GLU A 11 6.085 -6.868 -5.773 1.00 0.00 H new ATOM 0 HA GLU A 11 8.607 -5.650 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.164 -6.110 -7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.870 -5.754 -7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.534 -8.228 -6.480 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.284 -8.184 -8.064 1.00 0.00 H new ATOM 199 N MET A 12 6.273 -3.847 -6.684 1.00 0.00 N ATOM 200 CA MET A 12 5.758 -2.485 -6.904 1.00 0.00 C ATOM 201 C MET A 12 5.373 -1.818 -5.576 1.00 0.00 C ATOM 202 O MET A 12 5.170 -0.616 -5.560 1.00 0.00 O ATOM 203 CB MET A 12 4.571 -2.435 -7.881 1.00 0.00 C ATOM 204 CG MET A 12 3.265 -3.034 -7.340 1.00 0.00 C ATOM 205 SD MET A 12 1.760 -2.616 -8.292 1.00 0.00 S ATOM 206 CE MET A 12 2.113 -3.412 -9.842 1.00 0.00 C ATOM 0 H MET A 12 5.674 -4.583 -7.057 1.00 0.00 H new ATOM 0 HA MET A 12 6.575 -1.929 -7.364 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.390 -1.396 -8.158 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.847 -2.965 -8.793 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.367 -4.119 -7.311 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.129 -2.699 -6.312 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.178 -3.689 -10.330 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.669 -2.728 -10.484 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.709 -4.307 -9.664 1.00 0.00 H new ATOM 216 N TRP A 13 5.141 -2.620 -4.538 1.00 0.00 N ATOM 217 CA TRP A 13 4.830 -2.149 -3.183 1.00 0.00 C ATOM 218 C TRP A 13 5.976 -1.406 -2.504 1.00 0.00 C ATOM 219 O TRP A 13 5.778 -0.266 -2.106 1.00 0.00 O ATOM 220 CB TRP A 13 4.351 -3.288 -2.286 1.00 0.00 C ATOM 221 CG TRP A 13 2.838 -3.238 -2.049 1.00 0.00 C ATOM 222 CD1 TRP A 13 2.059 -4.317 -1.944 1.00 0.00 C ATOM 223 CD2 TRP A 13 2.034 -2.117 -1.959 1.00 0.00 C ATOM 224 NE1 TRP A 13 0.797 -3.927 -1.805 1.00 0.00 N ATOM 225 CE2 TRP A 13 0.735 -2.611 -1.825 1.00 0.00 C ATOM 226 CE3 TRP A 13 2.258 -0.743 -1.926 1.00 0.00 C ATOM 227 CZ2 TRP A 13 -0.312 -1.723 -1.679 1.00 0.00 C ATOM 228 CZ3 TRP A 13 1.215 0.133 -1.708 1.00 0.00 C ATOM 229 CH2 TRP A 13 -0.081 -0.370 -1.582 1.00 0.00 C ATOM 0 H TRP A 13 5.164 -3.637 -4.614 1.00 0.00 H new ATOM 0 HA TRP A 13 4.023 -1.429 -3.319 1.00 0.00 H new ATOM 0 HB2 TRP A 13 4.615 -4.243 -2.741 1.00 0.00 H new ATOM 0 HB3 TRP A 13 4.869 -3.237 -1.328 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.400 -5.342 -1.968 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -0.003 -4.551 -1.699 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.257 -0.360 -2.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.325 -2.095 -1.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.399 1.195 -1.636 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.906 0.305 -1.408 1.00 0.00 H new ATOM 240 N HIS A 14 7.191 -1.933 -2.633 1.00 0.00 N ATOM 241 CA HIS A 14 8.399 -1.283 -2.085 1.00 0.00 C ATOM 242 C HIS A 14 8.523 0.192 -2.516 1.00 0.00 C ATOM 243 O HIS A 14 8.354 1.104 -1.708 1.00 0.00 O ATOM 244 CB HIS A 14 9.627 -2.067 -2.550 1.00 0.00 C ATOM 245 CG HIS A 14 10.398 -2.711 -1.395 1.00 0.00 C ATOM 246 ND1 HIS A 14 11.179 -3.778 -1.531 1.00 0.00 N ATOM 247 CD2 HIS A 14 10.658 -2.157 -0.214 1.00 0.00 C ATOM 248 CE1 HIS A 14 11.959 -3.852 -0.453 1.00 0.00 C ATOM 249 NE2 HIS A 14 11.631 -2.855 0.361 1.00 0.00 N ATOM 0 H HIS A 14 7.375 -2.814 -3.114 1.00 0.00 H new ATOM 0 HA HIS A 14 8.324 -1.288 -0.998 1.00 0.00 H new ATOM 0 HB2 HIS A 14 9.313 -2.843 -3.247 1.00 0.00 H new ATOM 0 HB3 HIS A 14 10.293 -1.399 -3.096 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.165 -1.292 0.204 1.00 0.00 H new ATOM 0 HE1 HIS A 14 12.724 -4.593 -0.273 1.00 0.00 H new ATOM 0 HE2 HIS A 14 12.053 -2.659 1.269 1.00 0.00 H new ATOM 257 N GLU A 15 8.496 0.381 -3.834 1.00 0.00 N ATOM 258 CA GLU A 15 8.537 1.721 -4.451 1.00 0.00 C ATOM 259 C GLU A 15 7.174 2.419 -4.402 1.00 0.00 C ATOM 260 O GLU A 15 7.109 3.612 -4.158 1.00 0.00 O ATOM 261 CB GLU A 15 9.049 1.683 -5.897 1.00 0.00 C ATOM 262 CG GLU A 15 8.089 0.999 -6.881 1.00 0.00 C ATOM 263 CD GLU A 15 8.631 0.970 -8.305 1.00 0.00 C ATOM 264 OE1 GLU A 15 9.705 0.357 -8.477 1.00 0.00 O ATOM 265 OE2 GLU A 15 7.918 1.490 -9.189 1.00 0.00 O ATOM 0 H GLU A 15 8.445 -0.382 -4.509 1.00 0.00 H new ATOM 0 HA GLU A 15 9.244 2.299 -3.855 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.232 2.703 -6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.007 1.163 -5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.899 -0.021 -6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.132 1.521 -6.871 1.00 0.00 H new ATOM 272 N GLY A 16 6.094 1.678 -4.648 1.00 0.00 N ATOM 273 CA GLY A 16 4.729 2.219 -4.622 1.00 0.00 C ATOM 274 C GLY A 16 4.356 2.811 -3.262 1.00 0.00 C ATOM 275 O GLY A 16 3.613 3.783 -3.193 1.00 0.00 O ATOM 0 H GLY A 16 6.137 0.684 -4.872 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.633 2.989 -5.388 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.024 1.427 -4.875 1.00 0.00 H new ATOM 279 N LEU A 17 4.964 2.271 -2.216 1.00 0.00 N ATOM 280 CA LEU A 17 4.886 2.845 -0.872 1.00 0.00 C ATOM 281 C LEU A 17 5.913 3.949 -0.616 1.00 0.00 C ATOM 282 O LEU A 17 5.533 4.968 -0.065 1.00 0.00 O ATOM 283 CB LEU A 17 4.902 1.760 0.206 1.00 0.00 C ATOM 284 CG LEU A 17 3.481 1.259 0.500 1.00 0.00 C ATOM 285 CD1 LEU A 17 3.514 0.118 1.512 1.00 0.00 C ATOM 286 CD2 LEU A 17 2.563 2.372 1.022 1.00 0.00 C ATOM 0 H LEU A 17 5.527 1.422 -2.271 1.00 0.00 H new ATOM 0 HA LEU A 17 3.919 3.344 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.525 0.927 -0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.349 2.155 1.118 1.00 0.00 H new ATOM 0 HG LEU A 17 3.074 0.905 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.498 -0.224 1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.104 -0.707 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.964 0.468 2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.570 1.965 1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.973 2.779 1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.492 3.164 0.277 1.00 0.00 H new ATOM 298 N GLU A 18 7.045 3.890 -1.315 1.00 0.00 N ATOM 299 CA GLU A 18 8.116 4.896 -1.193 1.00 0.00 C ATOM 300 C GLU A 18 7.828 6.171 -2.007 1.00 0.00 C ATOM 301 O GLU A 18 7.625 7.211 -1.392 1.00 0.00 O ATOM 302 CB GLU A 18 9.463 4.255 -1.531 1.00 0.00 C ATOM 303 CG GLU A 18 10.628 5.176 -1.164 1.00 0.00 C ATOM 304 CD GLU A 18 11.884 4.356 -0.865 1.00 0.00 C ATOM 305 OE1 GLU A 18 12.458 3.823 -1.839 1.00 0.00 O ATOM 306 OE2 GLU A 18 12.243 4.302 0.331 1.00 0.00 O ATOM 0 H GLU A 18 7.252 3.147 -1.983 1.00 0.00 H new ATOM 0 HA GLU A 18 8.157 5.236 -0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.562 3.310 -0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.501 4.025 -2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.824 5.868 -1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.364 5.778 -0.295 1.00 0.00 H new ATOM 313 N GLU A 19 7.484 6.014 -3.283 1.00 0.00 N ATOM 314 CA GLU A 19 7.058 7.096 -4.196 1.00 0.00 C ATOM 315 C GLU A 19 5.779 7.782 -3.677 1.00 0.00 C ATOM 316 O GLU A 19 5.554 8.962 -3.925 1.00 0.00 O ATOM 317 CB GLU A 19 6.844 6.520 -5.606 1.00 0.00 C ATOM 318 CG GLU A 19 6.494 7.575 -6.669 1.00 0.00 C ATOM 319 CD GLU A 19 7.535 8.696 -6.793 1.00 0.00 C ATOM 320 OE1 GLU A 19 8.741 8.367 -6.795 1.00 0.00 O ATOM 321 OE2 GLU A 19 7.094 9.850 -6.969 1.00 0.00 O ATOM 0 H GLU A 19 7.491 5.100 -3.736 1.00 0.00 H new ATOM 0 HA GLU A 19 7.839 7.855 -4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.749 5.996 -5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.045 5.780 -5.567 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.387 7.082 -7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.527 8.015 -6.427 1.00 0.00 H new ATOM 328 N ALA A 20 4.968 7.015 -2.953 1.00 0.00 N ATOM 329 CA ALA A 20 3.777 7.524 -2.254 1.00 0.00 C ATOM 330 C ALA A 20 4.107 8.253 -0.960 1.00 0.00 C ATOM 331 O ALA A 20 3.903 9.459 -0.863 1.00 0.00 O ATOM 332 CB ALA A 20 2.843 6.382 -1.914 1.00 0.00 C ATOM 0 H ALA A 20 5.115 6.013 -2.830 1.00 0.00 H new ATOM 0 HA ALA A 20 3.310 8.232 -2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.966 6.771 -1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.532 5.881 -2.831 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.358 5.670 -1.269 1.00 0.00 H new ATOM 338 N SER A 21 4.671 7.527 0.000 1.00 0.00 N ATOM 339 CA SER A 21 5.105 8.100 1.287 1.00 0.00 C ATOM 340 C SER A 21 5.979 9.335 1.093 1.00 0.00 C ATOM 341 O SER A 21 5.910 10.235 1.909 1.00 0.00 O ATOM 342 CB SER A 21 5.925 7.120 2.113 1.00 0.00 C ATOM 343 OG SER A 21 7.192 6.836 1.510 1.00 0.00 O ATOM 0 H SER A 21 4.844 6.525 -0.084 1.00 0.00 H new ATOM 0 HA SER A 21 4.180 8.353 1.805 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.083 7.530 3.110 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.366 6.192 2.235 1.00 0.00 H new ATOM 0 HG SER A 21 7.131 6.972 0.541 1.00 0.00 H new ATOM 349 N ARG A 22 6.693 9.398 -0.027 1.00 0.00 N ATOM 350 CA ARG A 22 7.509 10.557 -0.407 1.00 0.00 C ATOM 351 C ARG A 22 6.643 11.701 -0.964 1.00 0.00 C ATOM 352 O ARG A 22 6.756 12.824 -0.493 1.00 0.00 O ATOM 353 CB ARG A 22 8.573 10.140 -1.419 1.00 0.00 C ATOM 354 CG ARG A 22 9.581 11.275 -1.581 1.00 0.00 C ATOM 355 CD ARG A 22 9.881 11.511 -3.056 1.00 0.00 C ATOM 356 NE ARG A 22 10.915 10.570 -3.510 1.00 0.00 N ATOM 357 CZ ARG A 22 11.213 10.299 -4.781 1.00 0.00 C ATOM 358 NH1 ARG A 22 10.498 10.790 -5.783 1.00 0.00 N ATOM 359 NH2 ARG A 22 12.224 9.494 -5.063 1.00 0.00 N ATOM 0 H ARG A 22 6.725 8.639 -0.707 1.00 0.00 H new ATOM 0 HA ARG A 22 8.003 10.931 0.490 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.078 9.234 -1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.110 9.909 -2.378 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.187 12.187 -1.133 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.501 11.031 -1.050 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.974 11.382 -3.646 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.217 12.537 -3.209 1.00 0.00 H new ATOM 0 HE ARG A 22 11.450 10.083 -2.791 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.697 11.392 -5.591 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.749 10.566 -6.746 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.774 9.082 -4.309 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.454 9.285 -6.035 1.00 0.00 H new ATOM 373 N LEU A 23 5.610 11.377 -1.740 1.00 0.00 N ATOM 374 CA LEU A 23 4.650 12.395 -2.218 1.00 0.00 C ATOM 375 C LEU A 23 3.838 13.067 -1.095 1.00 0.00 C ATOM 376 O LEU A 23 3.356 14.187 -1.242 1.00 0.00 O ATOM 377 CB LEU A 23 3.752 11.827 -3.322 1.00 0.00 C ATOM 378 CG LEU A 23 4.114 12.294 -4.744 1.00 0.00 C ATOM 379 CD1 LEU A 23 3.932 13.805 -4.911 1.00 0.00 C ATOM 380 CD2 LEU A 23 5.529 11.878 -5.152 1.00 0.00 C ATOM 0 H LEU A 23 5.409 10.428 -2.054 1.00 0.00 H new ATOM 0 HA LEU A 23 5.249 13.199 -2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.800 10.739 -3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.720 12.107 -3.113 1.00 0.00 H new ATOM 0 HG LEU A 23 3.416 11.791 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.198 14.093 -5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.892 14.070 -4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.576 14.329 -4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.735 12.231 -6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.250 12.314 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.611 10.791 -5.124 1.00 0.00 H new ATOM 392 N TYR A 24 3.886 12.440 0.076 1.00 0.00 N ATOM 393 CA TYR A 24 3.311 12.940 1.329 1.00 0.00 C ATOM 394 C TYR A 24 4.394 13.446 2.297 1.00 0.00 C ATOM 395 O TYR A 24 4.463 14.627 2.576 1.00 0.00 O ATOM 396 CB TYR A 24 2.474 11.813 1.940 1.00 0.00 C ATOM 397 CG TYR A 24 2.205 11.939 3.437 1.00 0.00 C ATOM 398 CD1 TYR A 24 2.011 13.178 4.060 1.00 0.00 C ATOM 399 CD2 TYR A 24 2.217 10.783 4.210 1.00 0.00 C ATOM 400 CE1 TYR A 24 1.840 13.260 5.422 1.00 0.00 C ATOM 401 CE2 TYR A 24 2.027 10.866 5.572 1.00 0.00 C ATOM 402 CZ TYR A 24 1.853 12.098 6.189 1.00 0.00 C ATOM 403 OH TYR A 24 1.676 12.160 7.524 1.00 0.00 O ATOM 0 H TYR A 24 4.343 11.535 0.187 1.00 0.00 H new ATOM 0 HA TYR A 24 2.677 13.803 1.128 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.518 11.769 1.418 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.981 10.866 1.757 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.996 14.079 3.464 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.375 9.822 3.743 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.696 14.221 5.894 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.013 9.964 6.166 1.00 0.00 H new ATOM 0 HH TYR A 24 1.713 11.256 7.901 1.00 0.00 H new ATOM 413 N PHE A 25 5.124 12.534 2.925 1.00 0.00 N ATOM 414 CA PHE A 25 6.164 12.838 3.921 1.00 0.00 C ATOM 415 C PHE A 25 7.405 13.564 3.357 1.00 0.00 C ATOM 416 O PHE A 25 8.291 13.977 4.101 1.00 0.00 O ATOM 417 CB PHE A 25 6.514 11.504 4.584 1.00 0.00 C ATOM 418 CG PHE A 25 7.372 11.699 5.817 1.00 0.00 C ATOM 419 CD1 PHE A 25 6.784 12.156 6.994 1.00 0.00 C ATOM 420 CD2 PHE A 25 8.736 11.424 5.769 1.00 0.00 C ATOM 421 CE1 PHE A 25 7.557 12.333 8.117 1.00 0.00 C ATOM 422 CE2 PHE A 25 9.507 11.600 6.894 1.00 0.00 C ATOM 423 CZ PHE A 25 8.923 12.056 8.080 1.00 0.00 C ATOM 0 H PHE A 25 5.013 11.534 2.757 1.00 0.00 H new ATOM 0 HA PHE A 25 5.778 13.559 4.642 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.597 10.982 4.858 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.041 10.870 3.871 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.726 12.370 7.024 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.187 11.074 4.852 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.105 12.688 9.031 1.00 0.00 H new ATOM 0 HE2 PHE A 25 10.565 11.386 6.862 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.528 12.193 8.964 1.00 0.00 H new ATOM 433 N GLY A 26 7.394 13.789 2.041 1.00 0.00 N ATOM 434 CA GLY A 26 8.451 14.537 1.332 1.00 0.00 C ATOM 435 C GLY A 26 7.921 15.800 0.637 1.00 0.00 C ATOM 436 O GLY A 26 8.709 16.617 0.171 1.00 0.00 O ATOM 0 H GLY A 26 6.649 13.458 1.428 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.230 14.818 2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.915 13.887 0.590 1.00 0.00 H new ATOM 440 N GLU A 27 6.603 15.875 0.427 1.00 0.00 N ATOM 441 CA GLU A 27 5.981 17.013 -0.291 1.00 0.00 C ATOM 442 C GLU A 27 4.769 17.610 0.455 1.00 0.00 C ATOM 443 O GLU A 27 4.018 18.414 -0.097 1.00 0.00 O ATOM 444 CB GLU A 27 5.530 16.620 -1.714 1.00 0.00 C ATOM 445 CG GLU A 27 6.220 15.433 -2.404 1.00 0.00 C ATOM 446 CD GLU A 27 7.749 15.470 -2.475 1.00 0.00 C ATOM 447 OE1 GLU A 27 8.284 16.524 -2.878 1.00 0.00 O ATOM 448 OE2 GLU A 27 8.342 14.423 -2.137 1.00 0.00 O ATOM 0 H GLU A 27 5.939 15.166 0.740 1.00 0.00 H new ATOM 0 HA GLU A 27 6.764 17.769 -0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.462 16.405 -1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.656 17.493 -2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.926 14.521 -1.885 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.834 15.360 -3.421 1.00 0.00 H new ATOM 455 N ARG A 28 4.571 17.166 1.694 1.00 0.00 N ATOM 456 CA ARG A 28 3.371 17.374 2.538 1.00 0.00 C ATOM 457 C ARG A 28 2.034 17.318 1.774 1.00 0.00 C ATOM 458 O ARG A 28 1.016 17.877 2.176 1.00 0.00 O ATOM 459 CB ARG A 28 3.568 18.645 3.362 1.00 0.00 C ATOM 460 CG ARG A 28 3.197 18.375 4.821 1.00 0.00 C ATOM 461 CD ARG A 28 4.017 19.273 5.752 1.00 0.00 C ATOM 462 NE ARG A 28 3.242 20.405 6.296 1.00 0.00 N ATOM 463 CZ ARG A 28 2.773 21.478 5.649 1.00 0.00 C ATOM 464 NH1 ARG A 28 2.971 21.677 4.353 1.00 0.00 N ATOM 465 NH2 ARG A 28 2.096 22.397 6.317 1.00 0.00 N ATOM 0 H ARG A 28 5.282 16.616 2.176 1.00 0.00 H new ATOM 0 HA ARG A 28 3.279 16.527 3.218 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.604 18.976 3.295 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.950 19.449 2.962 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.133 18.557 4.973 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.378 17.328 5.062 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.403 18.675 6.577 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.879 19.659 5.208 1.00 0.00 H new ATOM 0 HE ARG A 28 3.037 20.364 7.294 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.500 20.997 3.808 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.594 22.510 3.902 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.935 22.285 7.318 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.735 23.218 5.831 1.00 0.00 H new ATOM 479 N ASN A 29 2.038 16.476 0.743 1.00 0.00 N ATOM 480 CA ASN A 29 0.904 16.344 -0.174 1.00 0.00 C ATOM 481 C ASN A 29 0.402 14.899 -0.113 1.00 0.00 C ATOM 482 O ASN A 29 0.654 14.062 -0.982 1.00 0.00 O ATOM 483 CB ASN A 29 1.359 16.770 -1.577 1.00 0.00 C ATOM 484 CG ASN A 29 0.195 17.304 -2.415 1.00 0.00 C ATOM 485 OD1 ASN A 29 -0.741 17.923 -1.931 1.00 0.00 O ATOM 486 ND2 ASN A 29 0.202 17.027 -3.698 1.00 0.00 N ATOM 0 H ASN A 29 2.825 15.867 0.518 1.00 0.00 H new ATOM 0 HA ASN A 29 0.071 16.990 0.104 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.128 17.538 -1.492 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.813 15.919 -2.086 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.573 17.328 -4.289 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.982 16.510 -4.104 1.00 0.00 H new ATOM 493 N VAL A 30 -0.406 14.666 0.918 1.00 0.00 N ATOM 494 CA VAL A 30 -1.120 13.382 1.108 1.00 0.00 C ATOM 495 C VAL A 30 -1.980 13.041 -0.131 1.00 0.00 C ATOM 496 O VAL A 30 -2.013 11.901 -0.577 1.00 0.00 O ATOM 497 CB VAL A 30 -1.848 13.406 2.472 1.00 0.00 C ATOM 498 CG1 VAL A 30 -3.312 12.961 2.487 1.00 0.00 C ATOM 499 CG2 VAL A 30 -1.115 12.482 3.439 1.00 0.00 C ATOM 0 H VAL A 30 -0.592 15.352 1.650 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.428 12.542 1.168 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.842 14.461 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.702 13.026 3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.896 13.608 1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.383 11.932 2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.620 12.491 4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.112 11.467 3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.088 12.826 3.563 1.00 0.00 H new ATOM 509 N LYS A 31 -2.437 14.086 -0.817 1.00 0.00 N ATOM 510 CA LYS A 31 -3.152 13.977 -2.102 1.00 0.00 C ATOM 511 C LYS A 31 -2.272 13.323 -3.193 1.00 0.00 C ATOM 512 O LYS A 31 -2.741 12.483 -3.959 1.00 0.00 O ATOM 513 CB LYS A 31 -3.612 15.407 -2.427 1.00 0.00 C ATOM 514 CG LYS A 31 -4.223 15.692 -3.804 1.00 0.00 C ATOM 515 CD LYS A 31 -3.142 15.731 -4.887 1.00 0.00 C ATOM 516 CE LYS A 31 -3.419 16.765 -5.967 1.00 0.00 C ATOM 517 NZ LYS A 31 -2.618 16.435 -7.152 1.00 0.00 N ATOM 0 H LYS A 31 -2.323 15.048 -0.498 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.014 13.312 -2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.345 15.697 -1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.752 16.066 -2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.957 14.924 -4.046 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.753 16.644 -3.780 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.179 15.947 -4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.061 14.746 -5.347 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.480 16.774 -6.218 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.168 17.763 -5.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.799 17.136 -7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.608 16.447 -6.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.879 15.488 -7.495 1.00 0.00 H new ATOM 531 N GLY A 32 -0.986 13.706 -3.222 1.00 0.00 N ATOM 532 CA GLY A 32 0.007 13.206 -4.195 1.00 0.00 C ATOM 533 C GLY A 32 0.246 11.696 -4.053 1.00 0.00 C ATOM 534 O GLY A 32 0.017 10.941 -4.996 1.00 0.00 O ATOM 0 H GLY A 32 -0.598 14.381 -2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.335 13.425 -5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.949 13.736 -4.056 1.00 0.00 H new ATOM 538 N MET A 33 0.524 11.265 -2.820 1.00 0.00 N ATOM 539 CA MET A 33 0.699 9.832 -2.486 1.00 0.00 C ATOM 540 C MET A 33 -0.516 8.975 -2.876 1.00 0.00 C ATOM 541 O MET A 33 -0.374 7.857 -3.369 1.00 0.00 O ATOM 542 CB MET A 33 1.014 9.631 -0.997 1.00 0.00 C ATOM 543 CG MET A 33 -0.144 9.730 -0.003 1.00 0.00 C ATOM 544 SD MET A 33 0.269 9.287 1.723 1.00 0.00 S ATOM 545 CE MET A 33 0.615 7.550 1.567 1.00 0.00 C ATOM 0 H MET A 33 0.636 11.890 -2.021 1.00 0.00 H new ATOM 0 HA MET A 33 1.549 9.495 -3.079 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.472 8.648 -0.881 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.765 10.368 -0.711 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.527 10.750 -0.017 1.00 0.00 H new ATOM 0 HG3 MET A 33 -0.951 9.081 -0.344 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.619 7.090 2.555 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.152 7.080 0.951 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.590 7.414 1.099 1.00 0.00 H new ATOM 555 N PHE A 34 -1.678 9.620 -2.810 1.00 0.00 N ATOM 556 CA PHE A 34 -2.977 9.044 -3.183 1.00 0.00 C ATOM 557 C PHE A 34 -3.101 8.703 -4.668 1.00 0.00 C ATOM 558 O PHE A 34 -3.864 7.807 -5.018 1.00 0.00 O ATOM 559 CB PHE A 34 -4.119 9.972 -2.757 1.00 0.00 C ATOM 560 CG PHE A 34 -4.544 9.696 -1.322 1.00 0.00 C ATOM 561 CD1 PHE A 34 -4.912 8.404 -0.942 1.00 0.00 C ATOM 562 CD2 PHE A 34 -4.644 10.734 -0.399 1.00 0.00 C ATOM 563 CE1 PHE A 34 -5.362 8.150 0.334 1.00 0.00 C ATOM 564 CE2 PHE A 34 -5.077 10.475 0.882 1.00 0.00 C ATOM 565 CZ PHE A 34 -5.440 9.187 1.263 1.00 0.00 C ATOM 0 H PHE A 34 -1.749 10.585 -2.487 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.047 8.098 -2.646 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.802 11.011 -2.852 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.970 9.836 -3.424 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.843 7.596 -1.656 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.382 11.741 -0.688 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.654 7.149 0.615 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.136 11.280 1.599 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.779 8.992 2.270 1.00 0.00 H new ATOM 575 N GLU A 35 -2.262 9.327 -5.490 1.00 0.00 N ATOM 576 CA GLU A 35 -2.202 9.087 -6.941 1.00 0.00 C ATOM 577 C GLU A 35 -1.434 7.799 -7.277 1.00 0.00 C ATOM 578 O GLU A 35 -1.922 6.984 -8.048 1.00 0.00 O ATOM 579 CB GLU A 35 -1.537 10.275 -7.639 1.00 0.00 C ATOM 580 CG GLU A 35 -1.816 10.271 -9.144 1.00 0.00 C ATOM 581 CD GLU A 35 -3.220 10.802 -9.439 1.00 0.00 C ATOM 582 OE1 GLU A 35 -4.181 10.014 -9.297 1.00 0.00 O ATOM 583 OE2 GLU A 35 -3.291 11.998 -9.797 1.00 0.00 O ATOM 0 H GLU A 35 -1.592 10.025 -5.168 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.226 8.971 -7.297 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.902 11.205 -7.203 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.461 10.243 -7.468 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.075 10.884 -9.657 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.716 9.258 -9.534 1.00 0.00 H new ATOM 590 N VAL A 36 -0.274 7.610 -6.651 1.00 0.00 N ATOM 591 CA VAL A 36 0.543 6.392 -6.847 1.00 0.00 C ATOM 592 C VAL A 36 -0.026 5.200 -6.051 1.00 0.00 C ATOM 593 O VAL A 36 0.012 4.068 -6.521 1.00 0.00 O ATOM 594 CB VAL A 36 2.038 6.696 -6.621 1.00 0.00 C ATOM 595 CG1 VAL A 36 2.306 7.273 -5.237 1.00 0.00 C ATOM 596 CG2 VAL A 36 2.953 5.498 -6.899 1.00 0.00 C ATOM 0 H VAL A 36 0.131 8.282 -5.999 1.00 0.00 H new ATOM 0 HA VAL A 36 0.480 6.069 -7.886 1.00 0.00 H new ATOM 0 HB VAL A 36 2.288 7.458 -7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.372 7.471 -5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.750 8.203 -5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.988 6.559 -4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.990 5.783 -6.720 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.684 4.674 -6.239 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.837 5.184 -7.936 1.00 0.00 H new ATOM 606 N LEU A 37 -0.728 5.518 -4.965 1.00 0.00 N ATOM 607 CA LEU A 37 -1.463 4.544 -4.144 1.00 0.00 C ATOM 608 C LEU A 37 -2.823 4.166 -4.742 1.00 0.00 C ATOM 609 O LEU A 37 -3.276 3.049 -4.538 1.00 0.00 O ATOM 610 CB LEU A 37 -1.619 5.051 -2.705 1.00 0.00 C ATOM 611 CG LEU A 37 -0.920 4.194 -1.637 1.00 0.00 C ATOM 612 CD1 LEU A 37 -1.486 2.782 -1.593 1.00 0.00 C ATOM 613 CD2 LEU A 37 0.575 4.051 -1.865 1.00 0.00 C ATOM 0 H LEU A 37 -0.806 6.475 -4.621 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.866 3.632 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.227 6.067 -2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.681 5.106 -2.468 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.100 4.726 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.968 2.206 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.550 2.824 -1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.347 2.304 -2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.006 3.435 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.752 3.579 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.041 5.036 -1.851 1.00 0.00 H new ATOM 625 N GLU A 38 -3.397 5.040 -5.568 1.00 0.00 N ATOM 626 CA GLU A 38 -4.626 4.769 -6.341 1.00 0.00 C ATOM 627 C GLU A 38 -4.551 3.421 -7.097 1.00 0.00 C ATOM 628 O GLU A 38 -5.336 2.534 -6.745 1.00 0.00 O ATOM 629 CB GLU A 38 -4.894 5.961 -7.275 1.00 0.00 C ATOM 630 CG GLU A 38 -6.214 6.674 -6.986 1.00 0.00 C ATOM 631 CD GLU A 38 -7.316 6.173 -7.919 1.00 0.00 C ATOM 632 OE1 GLU A 38 -7.706 4.996 -7.757 1.00 0.00 O ATOM 633 OE2 GLU A 38 -7.692 6.955 -8.819 1.00 0.00 O ATOM 0 H GLU A 38 -3.021 5.975 -5.727 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.469 4.665 -5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.076 6.676 -7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.897 5.611 -8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.504 6.505 -5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.087 7.749 -7.110 1.00 0.00 H new ATOM 640 N PRO A 39 -3.514 3.149 -7.916 1.00 0.00 N ATOM 641 CA PRO A 39 -3.347 1.828 -8.537 1.00 0.00 C ATOM 642 C PRO A 39 -2.925 0.767 -7.520 1.00 0.00 C ATOM 643 O PRO A 39 -3.573 -0.261 -7.490 1.00 0.00 O ATOM 644 CB PRO A 39 -2.339 2.010 -9.670 1.00 0.00 C ATOM 645 CG PRO A 39 -1.455 3.146 -9.167 1.00 0.00 C ATOM 646 CD PRO A 39 -2.433 4.034 -8.398 1.00 0.00 C ATOM 0 HA PRO A 39 -4.291 1.455 -8.934 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.765 1.101 -9.848 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.830 2.266 -10.609 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.654 2.779 -8.525 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.984 3.684 -9.989 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.935 4.528 -7.564 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.832 4.819 -9.041 1.00 0.00 H new ATOM 654 N LEU A 40 -2.076 1.092 -6.545 1.00 0.00 N ATOM 655 CA LEU A 40 -1.665 0.132 -5.494 1.00 0.00 C ATOM 656 C LEU A 40 -2.793 -0.342 -4.554 1.00 0.00 C ATOM 657 O LEU A 40 -2.645 -1.321 -3.827 1.00 0.00 O ATOM 658 CB LEU A 40 -0.542 0.758 -4.682 1.00 0.00 C ATOM 659 CG LEU A 40 0.629 1.188 -5.557 1.00 0.00 C ATOM 660 CD1 LEU A 40 1.434 2.155 -4.722 1.00 0.00 C ATOM 661 CD2 LEU A 40 1.521 0.023 -5.978 1.00 0.00 C ATOM 0 H LEU A 40 -1.652 2.015 -6.452 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.341 -0.770 -6.014 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.926 1.623 -4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.193 0.044 -3.936 1.00 0.00 H new ATOM 0 HG LEU A 40 0.251 1.627 -6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.293 2.503 -5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.811 3.007 -4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.780 1.654 -3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.336 0.395 -6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.932 -0.460 -5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.933 -0.699 -6.545 1.00 0.00 H new ATOM 673 N HIS A 41 -3.874 0.430 -4.530 1.00 0.00 N ATOM 674 CA HIS A 41 -5.149 0.124 -3.855 1.00 0.00 C ATOM 675 C HIS A 41 -5.995 -0.886 -4.654 1.00 0.00 C ATOM 676 O HIS A 41 -6.600 -1.786 -4.081 1.00 0.00 O ATOM 677 CB HIS A 41 -5.884 1.455 -3.643 1.00 0.00 C ATOM 678 CG HIS A 41 -7.370 1.304 -3.289 1.00 0.00 C ATOM 679 ND1 HIS A 41 -7.867 0.991 -2.099 1.00 0.00 N ATOM 680 CD2 HIS A 41 -8.370 1.360 -4.161 1.00 0.00 C ATOM 681 CE1 HIS A 41 -9.184 0.833 -2.240 1.00 0.00 C ATOM 682 NE2 HIS A 41 -9.492 1.062 -3.511 1.00 0.00 N ATOM 0 H HIS A 41 -3.895 1.334 -5.002 1.00 0.00 H new ATOM 0 HA HIS A 41 -4.962 -0.356 -2.895 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -5.387 2.009 -2.847 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.797 2.054 -4.550 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -8.287 1.604 -5.210 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -9.878 0.566 -1.457 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -10.426 1.017 -3.918 1.00 0.00 H new ATOM 690 N ALA A 42 -6.018 -0.714 -5.973 1.00 0.00 N ATOM 691 CA ALA A 42 -6.783 -1.583 -6.892 1.00 0.00 C ATOM 692 C ALA A 42 -5.985 -2.824 -7.322 1.00 0.00 C ATOM 693 O ALA A 42 -6.481 -3.947 -7.237 1.00 0.00 O ATOM 694 CB ALA A 42 -7.232 -0.771 -8.109 1.00 0.00 C ATOM 0 H ALA A 42 -5.508 0.032 -6.446 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.659 -1.950 -6.358 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.796 -1.412 -8.786 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.863 0.056 -7.782 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.357 -0.377 -8.626 1.00 0.00 H new ATOM 700 N MET A 43 -4.686 -2.616 -7.519 1.00 0.00 N ATOM 701 CA MET A 43 -3.648 -3.643 -7.718 1.00 0.00 C ATOM 702 C MET A 43 -3.504 -4.569 -6.503 1.00 0.00 C ATOM 703 O MET A 43 -2.694 -5.466 -6.539 1.00 0.00 O ATOM 704 CB MET A 43 -2.276 -2.999 -7.968 1.00 0.00 C ATOM 705 CG MET A 43 -2.096 -2.431 -9.377 1.00 0.00 C ATOM 706 SD MET A 43 -1.780 -3.714 -10.640 1.00 0.00 S ATOM 707 CE MET A 43 -1.711 -2.681 -12.087 1.00 0.00 C ATOM 0 H MET A 43 -4.299 -1.673 -7.547 1.00 0.00 H new ATOM 0 HA MET A 43 -3.968 -4.223 -8.583 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.126 -2.198 -7.244 1.00 0.00 H new ATOM 0 HB3 MET A 43 -1.500 -3.742 -7.786 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.990 -1.872 -9.653 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.267 -1.723 -9.373 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.523 -3.298 -12.966 1.00 0.00 H new ATOM 0 HE2 MET A 43 -2.660 -2.158 -12.206 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.907 -1.953 -11.976 1.00 0.00 H new ATOM 717 N MET A 44 -4.122 -4.246 -5.366 1.00 0.00 N ATOM 718 CA MET A 44 -4.123 -5.176 -4.218 1.00 0.00 C ATOM 719 C MET A 44 -5.460 -5.917 -4.048 1.00 0.00 C ATOM 720 O MET A 44 -5.534 -6.915 -3.334 1.00 0.00 O ATOM 721 CB MET A 44 -3.680 -4.470 -2.929 1.00 0.00 C ATOM 722 CG MET A 44 -4.663 -3.430 -2.389 1.00 0.00 C ATOM 723 SD MET A 44 -5.523 -3.964 -0.868 1.00 0.00 S ATOM 724 CE MET A 44 -5.916 -2.344 -0.245 1.00 0.00 C ATOM 0 H MET A 44 -4.620 -3.370 -5.209 1.00 0.00 H new ATOM 0 HA MET A 44 -3.386 -5.948 -4.438 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.513 -5.224 -2.159 1.00 0.00 H new ATOM 0 HB3 MET A 44 -2.722 -3.982 -3.111 1.00 0.00 H new ATOM 0 HG2 MET A 44 -4.125 -2.503 -2.187 1.00 0.00 H new ATOM 0 HG3 MET A 44 -5.404 -3.208 -3.157 1.00 0.00 H new ATOM 0 HE1 MET A 44 -6.695 -2.425 0.513 1.00 0.00 H new ATOM 0 HE2 MET A 44 -5.025 -1.898 0.197 1.00 0.00 H new ATOM 0 HE3 MET A 44 -6.269 -1.716 -1.063 1.00 0.00 H new ATOM 734 N GLU A 45 -6.476 -5.425 -4.752 1.00 0.00 N ATOM 735 CA GLU A 45 -7.837 -5.983 -4.722 1.00 0.00 C ATOM 736 C GLU A 45 -8.143 -6.871 -5.942 1.00 0.00 C ATOM 737 O GLU A 45 -8.864 -7.852 -5.783 1.00 0.00 O ATOM 738 CB GLU A 45 -8.859 -4.849 -4.643 1.00 0.00 C ATOM 739 CG GLU A 45 -10.216 -5.412 -4.209 1.00 0.00 C ATOM 740 CD GLU A 45 -11.364 -4.456 -4.519 1.00 0.00 C ATOM 741 OE1 GLU A 45 -11.570 -4.188 -5.723 1.00 0.00 O ATOM 742 OE2 GLU A 45 -12.035 -4.049 -3.546 1.00 0.00 O ATOM 0 H GLU A 45 -6.383 -4.618 -5.369 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.904 -6.616 -3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.524 -4.092 -3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.950 -4.359 -5.613 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.391 -6.362 -4.713 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.196 -5.618 -3.139 1.00 0.00 H new ATOM 749 N ARG A 46 -7.586 -6.531 -7.111 1.00 0.00 N ATOM 750 CA ARG A 46 -7.696 -7.316 -8.364 1.00 0.00 C ATOM 751 C ARG A 46 -7.579 -8.837 -8.133 1.00 0.00 C ATOM 752 O ARG A 46 -8.296 -9.622 -8.746 1.00 0.00 O ATOM 753 CB ARG A 46 -6.569 -6.877 -9.302 1.00 0.00 C ATOM 754 CG ARG A 46 -7.029 -6.525 -10.714 1.00 0.00 C ATOM 755 CD ARG A 46 -6.960 -5.008 -10.913 1.00 0.00 C ATOM 756 NE ARG A 46 -7.152 -4.672 -12.335 1.00 0.00 N ATOM 757 CZ ARG A 46 -8.294 -4.713 -13.029 1.00 0.00 C ATOM 758 NH1 ARG A 46 -9.449 -5.052 -12.472 1.00 0.00 N ATOM 759 NH2 ARG A 46 -8.292 -4.404 -14.317 1.00 0.00 N ATOM 0 H ARG A 46 -7.031 -5.683 -7.223 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.682 -7.127 -8.789 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.068 -6.011 -8.869 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.830 -7.676 -9.362 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.399 -7.027 -11.448 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.048 -6.877 -10.874 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.725 -4.520 -10.310 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.996 -4.632 -10.570 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.321 -4.375 -12.847 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.486 -5.293 -11.482 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.300 -5.072 -13.034 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.421 -4.136 -14.776 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.161 -4.434 -14.850 1.00 0.00 H new ATOM 773 N GLY A 47 -6.722 -9.191 -7.163 1.00 0.00 N ATOM 774 CA GLY A 47 -6.545 -10.584 -6.725 1.00 0.00 C ATOM 775 C GLY A 47 -5.170 -11.149 -7.111 1.00 0.00 C ATOM 776 O GLY A 47 -4.484 -10.575 -7.959 1.00 0.00 O ATOM 0 H GLY A 47 -6.135 -8.524 -6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.667 -10.640 -5.643 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.326 -11.203 -7.167 1.00 0.00 H new ATOM 780 N PRO A 48 -4.737 -12.245 -6.478 1.00 0.00 N ATOM 781 CA PRO A 48 -3.454 -12.876 -6.828 1.00 0.00 C ATOM 782 C PRO A 48 -3.509 -13.479 -8.244 1.00 0.00 C ATOM 783 O PRO A 48 -4.432 -13.244 -9.017 1.00 0.00 O ATOM 784 CB PRO A 48 -3.232 -13.908 -5.719 1.00 0.00 C ATOM 785 CG PRO A 48 -4.648 -14.326 -5.322 1.00 0.00 C ATOM 786 CD PRO A 48 -5.456 -13.034 -5.454 1.00 0.00 C ATOM 0 HA PRO A 48 -2.618 -12.178 -6.875 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.649 -14.758 -6.074 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.690 -13.479 -4.876 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -5.033 -15.108 -5.976 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.680 -14.717 -4.305 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.482 -13.238 -5.760 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.506 -12.500 -4.505 1.00 0.00 H new ATOM 794 N GLN A 49 -2.434 -14.170 -8.592 1.00 0.00 N ATOM 795 CA GLN A 49 -2.302 -14.854 -9.898 1.00 0.00 C ATOM 796 C GLN A 49 -1.854 -16.321 -9.770 1.00 0.00 C ATOM 797 O GLN A 49 -2.460 -17.230 -10.321 1.00 0.00 O ATOM 798 CB GLN A 49 -1.374 -14.047 -10.825 1.00 0.00 C ATOM 799 CG GLN A 49 0.047 -13.897 -10.268 1.00 0.00 C ATOM 800 CD GLN A 49 0.960 -12.980 -11.072 1.00 0.00 C ATOM 801 OE1 GLN A 49 0.615 -11.879 -11.468 1.00 0.00 O ATOM 802 NE2 GLN A 49 2.210 -13.363 -11.189 1.00 0.00 N ATOM 0 H GLN A 49 -1.621 -14.281 -7.986 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.295 -14.895 -10.347 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.327 -14.536 -11.798 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.802 -13.057 -10.986 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.017 -13.518 -9.248 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.506 -14.884 -10.213 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.494 -14.284 -10.857 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.897 -12.739 -11.612 1.00 0.00 H new ATOM 811 N THR A 50 -0.787 -16.501 -8.995 1.00 0.00 N ATOM 812 CA THR A 50 -0.136 -17.802 -8.758 1.00 0.00 C ATOM 813 C THR A 50 -0.161 -18.162 -7.265 1.00 0.00 C ATOM 814 O THR A 50 -0.993 -18.976 -6.890 1.00 0.00 O ATOM 815 CB THR A 50 1.263 -17.903 -9.407 1.00 0.00 C ATOM 816 OG1 THR A 50 1.848 -19.159 -9.065 1.00 0.00 O ATOM 817 CG2 THR A 50 2.220 -16.760 -9.052 1.00 0.00 C ATOM 0 H THR A 50 -0.335 -15.733 -8.499 1.00 0.00 H new ATOM 0 HA THR A 50 -0.722 -18.565 -9.270 1.00 0.00 H new ATOM 0 HB THR A 50 1.107 -17.820 -10.483 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.735 -19.229 -9.476 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.175 -16.917 -9.553 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.791 -15.812 -9.377 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.375 -16.737 -7.973 1.00 0.00 H new ATOM 825 N LEU A 51 0.533 -17.344 -6.461 1.00 0.00 N ATOM 826 CA LEU A 51 0.740 -17.447 -4.991 1.00 0.00 C ATOM 827 C LEU A 51 1.938 -16.602 -4.496 1.00 0.00 C ATOM 828 O LEU A 51 2.747 -17.013 -3.670 1.00 0.00 O ATOM 829 CB LEU A 51 0.899 -18.906 -4.529 1.00 0.00 C ATOM 830 CG LEU A 51 -0.423 -19.469 -4.001 1.00 0.00 C ATOM 831 CD1 LEU A 51 -0.598 -20.922 -4.446 1.00 0.00 C ATOM 832 CD2 LEU A 51 -0.449 -19.389 -2.475 1.00 0.00 C ATOM 0 H LEU A 51 1.006 -16.525 -6.842 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.165 -17.039 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.251 -19.517 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.658 -18.962 -3.749 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.243 -18.876 -4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.542 -21.309 -4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.601 -20.971 -5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.224 -21.523 -4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.392 -19.791 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.378 -19.970 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.351 -18.349 -2.163 1.00 0.00 H new ATOM 844 N LYS A 52 2.049 -15.394 -5.047 1.00 0.00 N ATOM 845 CA LYS A 52 3.197 -14.496 -4.781 1.00 0.00 C ATOM 846 C LYS A 52 2.731 -13.127 -4.257 1.00 0.00 C ATOM 847 O LYS A 52 3.134 -12.671 -3.189 1.00 0.00 O ATOM 848 CB LYS A 52 4.023 -14.324 -6.065 1.00 0.00 C ATOM 849 CG LYS A 52 4.490 -15.661 -6.651 1.00 0.00 C ATOM 850 CD LYS A 52 5.952 -16.013 -6.393 1.00 0.00 C ATOM 851 CE LYS A 52 6.101 -17.532 -6.477 1.00 0.00 C ATOM 852 NZ LYS A 52 7.512 -17.938 -6.514 1.00 0.00 N ATOM 0 H LYS A 52 1.358 -15.003 -5.687 1.00 0.00 H new ATOM 0 HA LYS A 52 3.816 -14.950 -4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.426 -13.795 -6.808 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.892 -13.702 -5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.865 -16.455 -6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.322 -15.645 -7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.595 -15.527 -7.127 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.261 -15.655 -5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.612 -17.994 -5.619 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.593 -17.899 -7.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.574 -18.975 -6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.972 -17.518 -7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.990 -17.610 -5.651 1.00 0.00 H new ATOM 866 N GLU A 53 1.750 -12.558 -4.955 1.00 0.00 N ATOM 867 CA GLU A 53 1.120 -11.267 -4.608 1.00 0.00 C ATOM 868 C GLU A 53 -0.018 -11.450 -3.583 1.00 0.00 C ATOM 869 O GLU A 53 -1.127 -10.967 -3.786 1.00 0.00 O ATOM 870 CB GLU A 53 0.569 -10.595 -5.874 1.00 0.00 C ATOM 871 CG GLU A 53 1.611 -10.375 -6.965 1.00 0.00 C ATOM 872 CD GLU A 53 1.536 -11.385 -8.104 1.00 0.00 C ATOM 873 OE1 GLU A 53 1.343 -12.592 -7.803 1.00 0.00 O ATOM 874 OE2 GLU A 53 1.879 -10.944 -9.213 1.00 0.00 O ATOM 0 H GLU A 53 1.357 -12.982 -5.795 1.00 0.00 H new ATOM 0 HA GLU A 53 1.885 -10.634 -4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.238 -11.207 -6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.134 -9.633 -5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.489 -9.372 -7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.605 -10.419 -6.519 1.00 0.00 H new ATOM 881 N THR A 54 0.337 -12.117 -2.483 1.00 0.00 N ATOM 882 CA THR A 54 -0.567 -12.541 -1.382 1.00 0.00 C ATOM 883 C THR A 54 0.260 -12.940 -0.140 1.00 0.00 C ATOM 884 O THR A 54 0.266 -14.069 0.342 1.00 0.00 O ATOM 885 CB THR A 54 -1.594 -13.595 -1.888 1.00 0.00 C ATOM 886 OG1 THR A 54 -2.616 -12.885 -2.587 1.00 0.00 O ATOM 887 CG2 THR A 54 -2.332 -14.462 -0.861 1.00 0.00 C ATOM 0 H THR A 54 1.304 -12.395 -2.316 1.00 0.00 H new ATOM 0 HA THR A 54 -1.186 -11.709 -1.047 1.00 0.00 H new ATOM 0 HB THR A 54 -0.982 -14.289 -2.464 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.227 -12.102 -3.029 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.009 -15.142 -1.378 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.609 -15.039 -0.285 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.904 -13.822 -0.189 1.00 0.00 H new ATOM 895 N SER A 55 1.072 -11.989 0.310 1.00 0.00 N ATOM 896 CA SER A 55 1.907 -12.161 1.522 1.00 0.00 C ATOM 897 C SER A 55 1.467 -11.248 2.674 1.00 0.00 C ATOM 898 O SER A 55 1.260 -11.701 3.798 1.00 0.00 O ATOM 899 CB SER A 55 3.392 -11.955 1.200 1.00 0.00 C ATOM 900 OG SER A 55 3.606 -10.705 0.533 1.00 0.00 O ATOM 0 H SER A 55 1.179 -11.081 -0.141 1.00 0.00 H new ATOM 0 HA SER A 55 1.763 -13.188 1.859 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.974 -11.984 2.121 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.748 -12.772 0.572 1.00 0.00 H new ATOM 0 HG SER A 55 4.561 -10.596 0.340 1.00 0.00 H new ATOM 906 N PHE A 56 1.036 -10.051 2.283 1.00 0.00 N ATOM 907 CA PHE A 56 0.491 -9.029 3.192 1.00 0.00 C ATOM 908 C PHE A 56 -0.978 -9.317 3.512 1.00 0.00 C ATOM 909 O PHE A 56 -1.262 -9.791 4.590 1.00 0.00 O ATOM 910 CB PHE A 56 0.666 -7.623 2.610 1.00 0.00 C ATOM 911 CG PHE A 56 -0.001 -7.419 1.249 1.00 0.00 C ATOM 912 CD1 PHE A 56 0.641 -7.806 0.073 1.00 0.00 C ATOM 913 CD2 PHE A 56 -1.300 -6.917 1.197 1.00 0.00 C ATOM 914 CE1 PHE A 56 -0.018 -7.693 -1.138 1.00 0.00 C ATOM 915 CE2 PHE A 56 -1.960 -6.818 -0.010 1.00 0.00 C ATOM 916 CZ PHE A 56 -1.320 -7.203 -1.188 1.00 0.00 C ATOM 0 H PHE A 56 1.053 -9.752 1.308 1.00 0.00 H new ATOM 0 HA PHE A 56 1.053 -9.071 4.125 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.258 -6.898 3.314 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.731 -7.411 2.515 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.649 -8.192 0.108 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.792 -6.604 2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.481 -7.987 -2.050 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.972 -6.442 -0.043 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.833 -7.121 -2.135 1.00 0.00 H new ATOM 926 N ASN A 57 -1.809 -9.394 2.481 1.00 0.00 N ATOM 927 CA ASN A 57 -3.242 -9.735 2.585 1.00 0.00 C ATOM 928 C ASN A 57 -3.508 -11.110 3.224 1.00 0.00 C ATOM 929 O ASN A 57 -4.607 -11.372 3.702 1.00 0.00 O ATOM 930 CB ASN A 57 -3.876 -9.605 1.193 1.00 0.00 C ATOM 931 CG ASN A 57 -3.084 -10.332 0.103 1.00 0.00 C ATOM 932 OD1 ASN A 57 -1.943 -10.005 -0.216 1.00 0.00 O ATOM 933 ND2 ASN A 57 -3.569 -11.479 -0.288 1.00 0.00 N ATOM 0 H ASN A 57 -1.509 -9.219 1.522 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.711 -9.030 3.271 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.890 -10.003 1.224 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.955 -8.549 0.933 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.001 -12.105 -0.859 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.516 -11.749 -0.023 1.00 0.00 H new ATOM 940 N GLN A 58 -2.475 -11.954 3.219 1.00 0.00 N ATOM 941 CA GLN A 58 -2.469 -13.254 3.905 1.00 0.00 C ATOM 942 C GLN A 58 -2.370 -13.167 5.443 1.00 0.00 C ATOM 943 O GLN A 58 -3.132 -13.817 6.151 1.00 0.00 O ATOM 944 CB GLN A 58 -1.324 -14.096 3.336 1.00 0.00 C ATOM 945 CG GLN A 58 -1.837 -15.433 2.794 1.00 0.00 C ATOM 946 CD GLN A 58 -2.617 -16.209 3.858 1.00 0.00 C ATOM 947 OE1 GLN A 58 -3.832 -16.329 3.827 1.00 0.00 O ATOM 948 NE2 GLN A 58 -1.912 -16.719 4.842 1.00 0.00 N ATOM 0 H GLN A 58 -1.602 -11.753 2.731 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.435 -13.721 3.716 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.825 -13.545 2.539 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.581 -14.276 4.113 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.477 -15.255 1.930 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.995 -16.033 2.448 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.898 -16.610 4.853 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.379 -17.224 5.595 1.00 0.00 H new ATOM 957 N ALA A 59 -1.448 -12.343 5.939 1.00 0.00 N ATOM 958 CA ALA A 59 -1.218 -12.156 7.392 1.00 0.00 C ATOM 959 C ALA A 59 -1.401 -10.690 7.821 1.00 0.00 C ATOM 960 O ALA A 59 -2.330 -10.341 8.549 1.00 0.00 O ATOM 961 CB ALA A 59 0.180 -12.671 7.762 1.00 0.00 C ATOM 0 H ALA A 59 -0.832 -11.780 5.353 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.967 -12.734 7.933 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.348 -12.533 8.830 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.254 -13.731 7.517 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.932 -12.116 7.202 1.00 0.00 H new ATOM 967 N TYR A 60 -0.650 -9.830 7.147 1.00 0.00 N ATOM 968 CA TYR A 60 -0.701 -8.358 7.230 1.00 0.00 C ATOM 969 C TYR A 60 -1.891 -7.726 6.470 1.00 0.00 C ATOM 970 O TYR A 60 -1.817 -6.620 5.925 1.00 0.00 O ATOM 971 CB TYR A 60 0.660 -7.835 6.750 1.00 0.00 C ATOM 972 CG TYR A 60 1.738 -7.915 7.832 1.00 0.00 C ATOM 973 CD1 TYR A 60 1.890 -9.014 8.681 1.00 0.00 C ATOM 974 CD2 TYR A 60 2.626 -6.851 7.971 1.00 0.00 C ATOM 975 CE1 TYR A 60 2.891 -9.050 9.624 1.00 0.00 C ATOM 976 CE2 TYR A 60 3.626 -6.879 8.914 1.00 0.00 C ATOM 977 CZ TYR A 60 3.785 -7.988 9.739 1.00 0.00 C ATOM 978 OH TYR A 60 4.882 -8.104 10.511 1.00 0.00 O ATOM 0 H TYR A 60 0.057 -10.150 6.485 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.883 -8.060 8.262 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.980 -8.410 5.881 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.553 -6.800 6.425 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.210 -9.849 8.596 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.527 -5.990 7.327 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.984 -9.905 10.278 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.292 -6.035 9.015 1.00 0.00 H new ATOM 0 HH TYR A 60 5.396 -7.270 10.477 1.00 0.00 H new ATOM 988 N GLY A 61 -3.035 -8.416 6.586 1.00 0.00 N ATOM 989 CA GLY A 61 -4.331 -8.033 5.984 1.00 0.00 C ATOM 990 C GLY A 61 -4.982 -6.811 6.655 1.00 0.00 C ATOM 991 O GLY A 61 -5.835 -6.133 6.088 1.00 0.00 O ATOM 0 H GLY A 61 -3.091 -9.285 7.118 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.182 -7.820 4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.015 -8.879 6.046 1.00 0.00 H new ATOM 995 N ARG A 62 -4.439 -6.475 7.818 1.00 0.00 N ATOM 996 CA ARG A 62 -4.891 -5.345 8.653 1.00 0.00 C ATOM 997 C ARG A 62 -3.961 -4.129 8.570 1.00 0.00 C ATOM 998 O ARG A 62 -4.278 -3.072 9.102 1.00 0.00 O ATOM 999 CB ARG A 62 -4.983 -5.821 10.101 1.00 0.00 C ATOM 1000 CG ARG A 62 -6.267 -6.618 10.302 1.00 0.00 C ATOM 1001 CD ARG A 62 -6.219 -7.424 11.601 1.00 0.00 C ATOM 1002 NE ARG A 62 -7.482 -8.163 11.779 1.00 0.00 N ATOM 1003 CZ ARG A 62 -7.948 -9.176 11.038 1.00 0.00 C ATOM 1004 NH1 ARG A 62 -7.273 -9.685 10.014 1.00 0.00 N ATOM 1005 NH2 ARG A 62 -9.123 -9.711 11.330 1.00 0.00 N ATOM 0 H ARG A 62 -3.655 -6.985 8.225 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.862 -5.021 8.279 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.119 -6.438 10.346 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.966 -4.966 10.776 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.120 -5.940 10.323 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.416 -7.292 9.458 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.380 -8.120 11.577 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.055 -6.757 12.447 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.070 -7.868 12.558 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.360 -9.304 9.765 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.667 -10.457 9.477 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.666 -9.351 12.115 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.485 -10.483 10.770 1.00 0.00 H new ATOM 1019 N ASP A 63 -2.934 -4.252 7.733 1.00 0.00 N ATOM 1020 CA ASP A 63 -1.883 -3.235 7.553 1.00 0.00 C ATOM 1021 C ASP A 63 -2.349 -2.239 6.483 1.00 0.00 C ATOM 1022 O ASP A 63 -3.544 -1.958 6.429 1.00 0.00 O ATOM 1023 CB ASP A 63 -0.582 -3.951 7.179 1.00 0.00 C ATOM 1024 CG ASP A 63 -0.064 -4.857 8.294 1.00 0.00 C ATOM 1025 OD1 ASP A 63 -0.800 -5.802 8.652 1.00 0.00 O ATOM 1026 OD2 ASP A 63 1.082 -4.599 8.707 1.00 0.00 O ATOM 0 H ASP A 63 -2.800 -5.075 7.146 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.697 -2.669 8.465 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.745 -4.546 6.280 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.179 -3.209 6.937 1.00 0.00 H new ATOM 1031 N LEU A 64 -1.454 -1.818 5.583 1.00 0.00 N ATOM 1032 CA LEU A 64 -1.794 -0.999 4.399 1.00 0.00 C ATOM 1033 C LEU A 64 -3.133 -1.413 3.753 1.00 0.00 C ATOM 1034 O LEU A 64 -3.920 -0.553 3.384 1.00 0.00 O ATOM 1035 CB LEU A 64 -0.630 -1.010 3.387 1.00 0.00 C ATOM 1036 CG LEU A 64 -0.684 -2.089 2.292 1.00 0.00 C ATOM 1037 CD1 LEU A 64 -1.585 -1.624 1.146 1.00 0.00 C ATOM 1038 CD2 LEU A 64 0.703 -2.450 1.766 1.00 0.00 C ATOM 0 H LEU A 64 -0.460 -2.035 5.651 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.939 0.027 4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.589 -0.034 2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.302 -1.131 3.940 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.100 -2.991 2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.618 -2.393 0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.592 -1.445 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.188 -0.702 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.612 -3.215 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.174 -1.563 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.315 -2.830 2.584 1.00 0.00 H new ATOM 1050 N MET A 65 -3.395 -2.726 3.709 1.00 0.00 N ATOM 1051 CA MET A 65 -4.623 -3.305 3.130 1.00 0.00 C ATOM 1052 C MET A 65 -5.875 -2.576 3.659 1.00 0.00 C ATOM 1053 O MET A 65 -6.464 -1.778 2.931 1.00 0.00 O ATOM 1054 CB MET A 65 -4.651 -4.808 3.432 1.00 0.00 C ATOM 1055 CG MET A 65 -5.796 -5.486 2.676 1.00 0.00 C ATOM 1056 SD MET A 65 -6.073 -7.232 3.132 1.00 0.00 S ATOM 1057 CE MET A 65 -7.831 -7.170 3.403 1.00 0.00 C ATOM 0 H MET A 65 -2.754 -3.428 4.078 1.00 0.00 H new ATOM 0 HA MET A 65 -4.625 -3.171 2.048 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.701 -5.260 3.146 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.770 -4.967 4.504 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.714 -4.927 2.855 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.592 -5.431 1.607 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.189 -8.158 3.694 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.052 -6.456 4.196 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.330 -6.859 2.485 1.00 0.00 H new ATOM 1067 N GLU A 66 -6.048 -2.606 4.979 1.00 0.00 N ATOM 1068 CA GLU A 66 -7.109 -1.829 5.645 1.00 0.00 C ATOM 1069 C GLU A 66 -6.765 -0.351 5.884 1.00 0.00 C ATOM 1070 O GLU A 66 -7.645 0.493 5.755 1.00 0.00 O ATOM 1071 CB GLU A 66 -7.604 -2.485 6.932 1.00 0.00 C ATOM 1072 CG GLU A 66 -8.658 -3.551 6.616 1.00 0.00 C ATOM 1073 CD GLU A 66 -9.662 -3.673 7.765 1.00 0.00 C ATOM 1074 OE1 GLU A 66 -9.212 -3.916 8.907 1.00 0.00 O ATOM 1075 OE2 GLU A 66 -10.852 -3.394 7.503 1.00 0.00 O ATOM 0 H GLU A 66 -5.471 -3.157 5.614 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.926 -1.836 4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.766 -2.938 7.462 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.028 -1.729 7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.181 -3.292 5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.172 -4.512 6.447 1.00 0.00 H new ATOM 1082 N ALA A 67 -5.471 -0.041 5.924 1.00 0.00 N ATOM 1083 CA ALA A 67 -4.959 1.336 6.091 1.00 0.00 C ATOM 1084 C ALA A 67 -5.313 2.261 4.910 1.00 0.00 C ATOM 1085 O ALA A 67 -5.351 3.479 5.059 1.00 0.00 O ATOM 1086 CB ALA A 67 -3.443 1.309 6.282 1.00 0.00 C ATOM 0 H ALA A 67 -4.733 -0.740 5.841 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.447 1.745 6.976 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.073 2.327 6.404 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.198 0.725 7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.974 0.855 5.409 1.00 0.00 H new ATOM 1092 N GLN A 68 -5.506 1.644 3.744 1.00 0.00 N ATOM 1093 CA GLN A 68 -5.928 2.297 2.490 1.00 0.00 C ATOM 1094 C GLN A 68 -7.411 2.023 2.189 1.00 0.00 C ATOM 1095 O GLN A 68 -8.110 2.917 1.715 1.00 0.00 O ATOM 1096 CB GLN A 68 -5.072 1.743 1.345 1.00 0.00 C ATOM 1097 CG GLN A 68 -5.382 2.340 -0.036 1.00 0.00 C ATOM 1098 CD GLN A 68 -4.585 3.599 -0.389 1.00 0.00 C ATOM 1099 OE1 GLN A 68 -3.571 3.941 0.204 1.00 0.00 O ATOM 1100 NE2 GLN A 68 -5.029 4.322 -1.392 1.00 0.00 N ATOM 0 H GLN A 68 -5.370 0.639 3.636 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.796 3.374 2.592 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -4.022 1.922 1.575 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.208 0.663 1.298 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.190 1.582 -0.795 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.445 2.576 -0.083 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.874 4.040 -1.889 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.529 5.165 -1.674 1.00 0.00 H new ATOM 1109 N GLU A 69 -7.871 0.791 2.443 1.00 0.00 N ATOM 1110 CA GLU A 69 -9.278 0.393 2.212 1.00 0.00 C ATOM 1111 C GLU A 69 -10.277 1.303 2.952 1.00 0.00 C ATOM 1112 O GLU A 69 -11.445 1.382 2.571 1.00 0.00 O ATOM 1113 CB GLU A 69 -9.497 -1.072 2.602 1.00 0.00 C ATOM 1114 CG GLU A 69 -10.859 -1.590 2.118 1.00 0.00 C ATOM 1115 CD GLU A 69 -11.128 -3.055 2.463 1.00 0.00 C ATOM 1116 OE1 GLU A 69 -10.722 -3.487 3.567 1.00 0.00 O ATOM 1117 OE2 GLU A 69 -11.732 -3.719 1.595 1.00 0.00 O ATOM 0 H GLU A 69 -7.287 0.041 2.813 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.468 0.509 1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.702 -1.685 2.176 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.433 -1.174 3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.646 -0.975 2.555 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.920 -1.465 1.037 1.00 0.00 H new ATOM 1124 N TRP A 70 -9.791 1.972 3.998 1.00 0.00 N ATOM 1125 CA TRP A 70 -10.502 3.054 4.704 1.00 0.00 C ATOM 1126 C TRP A 70 -10.688 4.298 3.807 1.00 0.00 C ATOM 1127 O TRP A 70 -10.458 5.438 4.204 1.00 0.00 O ATOM 1128 CB TRP A 70 -9.756 3.374 6.009 1.00 0.00 C ATOM 1129 CG TRP A 70 -9.675 2.206 7.011 1.00 0.00 C ATOM 1130 CD1 TRP A 70 -10.317 1.032 6.953 1.00 0.00 C ATOM 1131 CD2 TRP A 70 -8.833 2.154 8.106 1.00 0.00 C ATOM 1132 NE1 TRP A 70 -9.922 0.262 7.963 1.00 0.00 N ATOM 1133 CE2 TRP A 70 -9.019 0.899 8.690 1.00 0.00 C ATOM 1134 CE3 TRP A 70 -7.948 3.057 8.676 1.00 0.00 C ATOM 1135 CZ2 TRP A 70 -8.322 0.569 9.845 1.00 0.00 C ATOM 1136 CZ3 TRP A 70 -7.230 2.715 9.808 1.00 0.00 C ATOM 1137 CH2 TRP A 70 -7.421 1.463 10.400 1.00 0.00 C ATOM 0 H TRP A 70 -8.871 1.777 4.392 1.00 0.00 H new ATOM 0 HA TRP A 70 -11.509 2.721 4.954 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.743 3.694 5.763 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.248 4.217 6.494 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -11.042 0.754 6.203 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -10.265 -0.680 8.149 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -7.819 4.034 8.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -8.483 -0.391 10.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -6.524 3.413 10.233 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -6.868 1.194 11.287 1.00 0.00 H new ATOM 1148 N CYS A 71 -11.297 4.051 2.649 1.00 0.00 N ATOM 1149 CA CYS A 71 -11.656 5.063 1.640 1.00 0.00 C ATOM 1150 C CYS A 71 -12.933 5.794 2.071 1.00 0.00 C ATOM 1151 O CYS A 71 -12.883 6.997 2.258 1.00 0.00 O ATOM 1152 CB CYS A 71 -11.830 4.450 0.245 1.00 0.00 C ATOM 1153 SG CYS A 71 -13.283 3.352 0.042 1.00 0.00 S ATOM 0 H CYS A 71 -11.567 3.107 2.371 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.834 5.776 1.574 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -11.903 5.259 -0.482 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.931 3.883 0.001 1.00 0.00 H new ATOM 0 HG CYS A 71 -13.319 2.901 -1.177 1.00 0.00 H new ATOM 1159 N ARG A 72 -13.927 5.033 2.537 1.00 0.00 N ATOM 1160 CA ARG A 72 -15.155 5.588 3.155 1.00 0.00 C ATOM 1161 C ARG A 72 -14.905 6.457 4.398 1.00 0.00 C ATOM 1162 O ARG A 72 -15.677 7.362 4.706 1.00 0.00 O ATOM 1163 CB ARG A 72 -16.147 4.480 3.508 1.00 0.00 C ATOM 1164 CG ARG A 72 -17.134 4.280 2.360 1.00 0.00 C ATOM 1165 CD ARG A 72 -18.267 3.350 2.790 1.00 0.00 C ATOM 1166 NE ARG A 72 -19.553 4.070 2.766 1.00 0.00 N ATOM 1167 CZ ARG A 72 -20.759 3.519 2.931 1.00 0.00 C ATOM 1168 NH1 ARG A 72 -20.905 2.221 3.161 1.00 0.00 N ATOM 1169 NH2 ARG A 72 -21.852 4.264 2.865 1.00 0.00 N ATOM 0 H ARG A 72 -13.912 4.014 2.501 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.574 6.243 2.391 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.612 3.551 3.705 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.685 4.738 4.420 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.542 5.242 2.051 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.618 3.860 1.497 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.312 2.488 2.125 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.074 2.969 3.793 1.00 0.00 H new ATOM 0 HE ARG A 72 -19.519 5.077 2.610 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -20.085 1.617 3.216 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -21.838 1.826 3.283 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.777 5.266 2.687 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -22.769 3.836 2.992 1.00 0.00 H new ATOM 1183 N LYS A 73 -13.718 6.271 4.968 1.00 0.00 N ATOM 1184 CA LYS A 73 -13.232 7.045 6.115 1.00 0.00 C ATOM 1185 C LYS A 73 -12.350 8.214 5.653 1.00 0.00 C ATOM 1186 O LYS A 73 -12.762 9.350 5.818 1.00 0.00 O ATOM 1187 CB LYS A 73 -12.536 6.099 7.094 1.00 0.00 C ATOM 1188 CG LYS A 73 -13.536 5.598 8.134 1.00 0.00 C ATOM 1189 CD LYS A 73 -13.252 6.271 9.478 1.00 0.00 C ATOM 1190 CE LYS A 73 -14.545 6.684 10.181 1.00 0.00 C ATOM 1191 NZ LYS A 73 -14.256 7.193 11.529 1.00 0.00 N ATOM 0 H LYS A 73 -13.054 5.568 4.644 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.066 7.505 6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.106 5.255 6.554 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.712 6.615 7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.554 5.819 7.812 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.461 4.515 8.234 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.691 5.589 10.117 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.625 7.149 9.321 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.055 7.451 9.597 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.220 5.831 10.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.144 7.469 11.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.790 6.450 12.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.629 8.020 11.461 1.00 0.00 H new ATOM 1205 N TYR A 74 -11.390 7.956 4.770 1.00 0.00 N ATOM 1206 CA TYR A 74 -10.541 9.007 4.176 1.00 0.00 C ATOM 1207 C TYR A 74 -11.327 10.004 3.298 1.00 0.00 C ATOM 1208 O TYR A 74 -10.913 11.144 3.118 1.00 0.00 O ATOM 1209 CB TYR A 74 -9.389 8.297 3.447 1.00 0.00 C ATOM 1210 CG TYR A 74 -8.745 9.082 2.313 1.00 0.00 C ATOM 1211 CD1 TYR A 74 -8.289 10.388 2.492 1.00 0.00 C ATOM 1212 CD2 TYR A 74 -8.885 8.573 1.025 1.00 0.00 C ATOM 1213 CE1 TYR A 74 -8.002 11.176 1.399 1.00 0.00 C ATOM 1214 CE2 TYR A 74 -8.571 9.350 -0.070 1.00 0.00 C ATOM 1215 CZ TYR A 74 -8.119 10.655 0.109 1.00 0.00 C ATOM 1216 OH TYR A 74 -7.611 11.346 -0.934 1.00 0.00 O ATOM 0 H TYR A 74 -11.171 7.016 4.440 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.133 9.650 4.956 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.618 8.050 4.177 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.762 7.355 3.046 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.161 10.782 3.489 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -9.242 7.564 0.882 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.686 12.199 1.540 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.676 8.947 -1.066 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.633 11.295 -0.915 1.00 0.00 H new ATOM 1226 N MET A 75 -12.471 9.573 2.787 1.00 0.00 N ATOM 1227 CA MET A 75 -13.370 10.403 1.967 1.00 0.00 C ATOM 1228 C MET A 75 -14.252 11.344 2.792 1.00 0.00 C ATOM 1229 O MET A 75 -14.256 12.546 2.546 1.00 0.00 O ATOM 1230 CB MET A 75 -14.246 9.558 1.041 1.00 0.00 C ATOM 1231 CG MET A 75 -13.446 9.030 -0.148 1.00 0.00 C ATOM 1232 SD MET A 75 -14.547 8.611 -1.544 1.00 0.00 S ATOM 1233 CE MET A 75 -13.328 8.108 -2.739 1.00 0.00 C ATOM 0 H MET A 75 -12.815 8.623 2.927 1.00 0.00 H new ATOM 0 HA MET A 75 -12.706 11.021 1.363 1.00 0.00 H new ATOM 0 HB2 MET A 75 -14.668 8.722 1.599 1.00 0.00 H new ATOM 0 HB3 MET A 75 -15.083 10.157 0.682 1.00 0.00 H new ATOM 0 HG2 MET A 75 -12.721 9.780 -0.465 1.00 0.00 H new ATOM 0 HG3 MET A 75 -12.882 8.147 0.152 1.00 0.00 H new ATOM 0 HE1 MET A 75 -13.825 7.815 -3.664 1.00 0.00 H new ATOM 0 HE2 MET A 75 -12.650 8.938 -2.938 1.00 0.00 H new ATOM 0 HE3 MET A 75 -12.762 7.263 -2.348 1.00 0.00 H new ATOM 1243 N LYS A 76 -14.991 10.779 3.749 1.00 0.00 N ATOM 1244 CA LYS A 76 -15.862 11.582 4.630 1.00 0.00 C ATOM 1245 C LYS A 76 -15.121 12.259 5.789 1.00 0.00 C ATOM 1246 O LYS A 76 -15.295 13.450 6.033 1.00 0.00 O ATOM 1247 CB LYS A 76 -17.042 10.772 5.169 1.00 0.00 C ATOM 1248 CG LYS A 76 -18.071 10.521 4.069 1.00 0.00 C ATOM 1249 CD LYS A 76 -19.418 10.138 4.678 1.00 0.00 C ATOM 1250 CE LYS A 76 -20.425 9.831 3.571 1.00 0.00 C ATOM 1251 NZ LYS A 76 -21.758 10.331 3.931 1.00 0.00 N ATOM 0 H LYS A 76 -15.009 9.777 3.938 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.241 12.376 3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.686 9.821 5.565 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.509 11.307 5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.183 11.415 3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.723 9.725 3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.300 9.268 5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -19.788 10.951 5.302 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -20.099 10.290 2.638 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -20.468 8.755 3.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -22.429 10.113 3.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -22.074 9.874 4.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -21.716 11.361 4.072 1.00 0.00 H new ATOM 1265 N SER A 77 -14.270 11.490 6.457 1.00 0.00 N ATOM 1266 CA SER A 77 -13.405 11.999 7.541 1.00 0.00 C ATOM 1267 C SER A 77 -12.321 12.923 6.964 1.00 0.00 C ATOM 1268 O SER A 77 -12.039 13.950 7.580 1.00 0.00 O ATOM 1269 CB SER A 77 -12.795 10.833 8.331 1.00 0.00 C ATOM 1270 OG SER A 77 -12.188 11.238 9.559 1.00 0.00 O ATOM 0 H SER A 77 -14.152 10.494 6.271 1.00 0.00 H new ATOM 0 HA SER A 77 -14.008 12.585 8.234 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.574 10.100 8.543 1.00 0.00 H new ATOM 0 HB3 SER A 77 -12.049 10.335 7.712 1.00 0.00 H new ATOM 0 HG SER A 77 -11.820 10.453 10.016 1.00 0.00 H new ATOM 1276 N GLY A 78 -11.767 12.570 5.783 1.00 0.00 N ATOM 1277 CA GLY A 78 -10.728 13.367 5.082 1.00 0.00 C ATOM 1278 C GLY A 78 -9.632 13.927 5.997 1.00 0.00 C ATOM 1279 O GLY A 78 -9.113 15.019 5.793 1.00 0.00 O ATOM 0 H GLY A 78 -12.028 11.720 5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.263 12.743 4.319 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.211 14.196 4.565 1.00 0.00 H new ATOM 1283 N ASN A 79 -9.370 13.167 7.053 1.00 0.00 N ATOM 1284 CA ASN A 79 -8.489 13.596 8.137 1.00 0.00 C ATOM 1285 C ASN A 79 -7.298 12.653 8.209 1.00 0.00 C ATOM 1286 O ASN A 79 -7.425 11.433 8.048 1.00 0.00 O ATOM 1287 CB ASN A 79 -9.268 13.571 9.455 1.00 0.00 C ATOM 1288 CG ASN A 79 -9.219 14.939 10.132 1.00 0.00 C ATOM 1289 OD1 ASN A 79 -8.196 15.349 10.669 1.00 0.00 O ATOM 1290 ND2 ASN A 79 -10.301 15.678 10.047 1.00 0.00 N ATOM 0 H ASN A 79 -9.762 12.234 7.184 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.131 14.609 7.956 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.304 13.289 9.267 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.848 12.815 10.118 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -10.306 16.622 10.434 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -11.137 15.308 9.594 1.00 0.00 H new ATOM 1297 N VAL A 80 -6.203 13.246 8.669 1.00 0.00 N ATOM 1298 CA VAL A 80 -4.967 12.511 9.003 1.00 0.00 C ATOM 1299 C VAL A 80 -5.245 11.450 10.089 1.00 0.00 C ATOM 1300 O VAL A 80 -4.485 10.507 10.194 1.00 0.00 O ATOM 1301 CB VAL A 80 -3.810 13.464 9.376 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -2.491 12.732 9.663 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -3.536 14.463 8.247 1.00 0.00 C ATOM 0 H VAL A 80 -6.137 14.252 8.825 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.634 11.981 8.111 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.141 13.970 10.283 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.720 13.459 9.919 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.631 12.043 10.496 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.185 12.174 8.778 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.717 15.122 8.535 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.265 13.922 7.340 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.431 15.056 8.061 1.00 0.00 H new ATOM 1313 N LYS A 81 -6.432 11.449 10.701 1.00 0.00 N ATOM 1314 CA LYS A 81 -6.882 10.360 11.589 1.00 0.00 C ATOM 1315 C LYS A 81 -6.839 8.948 10.971 1.00 0.00 C ATOM 1316 O LYS A 81 -6.532 7.978 11.660 1.00 0.00 O ATOM 1317 CB LYS A 81 -8.255 10.693 12.184 1.00 0.00 C ATOM 1318 CG LYS A 81 -8.156 11.772 13.271 1.00 0.00 C ATOM 1319 CD LYS A 81 -7.183 11.327 14.369 1.00 0.00 C ATOM 1320 CE LYS A 81 -7.498 11.919 15.737 1.00 0.00 C ATOM 1321 NZ LYS A 81 -6.671 11.230 16.735 1.00 0.00 N ATOM 0 H LYS A 81 -7.113 12.201 10.598 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.147 10.308 12.392 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.922 11.034 11.392 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.697 9.791 12.606 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.817 12.711 12.833 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.140 11.958 13.700 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.200 10.239 14.440 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.170 11.612 14.083 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.291 12.989 15.745 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.556 11.797 15.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.870 11.619 17.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.891 10.214 16.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.666 11.369 16.508 1.00 0.00 H new ATOM 1335 N ASP A 82 -6.969 8.894 9.644 1.00 0.00 N ATOM 1336 CA ASP A 82 -6.694 7.668 8.865 1.00 0.00 C ATOM 1337 C ASP A 82 -5.217 7.449 8.522 1.00 0.00 C ATOM 1338 O ASP A 82 -4.730 6.333 8.666 1.00 0.00 O ATOM 1339 CB ASP A 82 -7.510 7.600 7.577 1.00 0.00 C ATOM 1340 CG ASP A 82 -8.898 7.003 7.810 1.00 0.00 C ATOM 1341 OD1 ASP A 82 -9.058 6.192 8.748 1.00 0.00 O ATOM 1342 OD2 ASP A 82 -9.786 7.402 7.038 1.00 0.00 O ATOM 0 H ASP A 82 -7.265 9.688 9.076 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.998 6.867 9.540 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.612 8.601 7.159 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.976 7.000 6.841 1.00 0.00 H new ATOM 1347 N LEU A 83 -4.507 8.540 8.258 1.00 0.00 N ATOM 1348 CA LEU A 83 -3.075 8.531 7.904 1.00 0.00 C ATOM 1349 C LEU A 83 -2.150 8.287 9.103 1.00 0.00 C ATOM 1350 O LEU A 83 -1.276 7.442 9.002 1.00 0.00 O ATOM 1351 CB LEU A 83 -2.695 9.831 7.181 1.00 0.00 C ATOM 1352 CG LEU A 83 -2.339 9.672 5.692 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -1.074 8.827 5.499 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -3.510 9.124 4.869 1.00 0.00 C ATOM 0 H LEU A 83 -4.909 9.477 8.282 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.928 7.685 7.232 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.525 10.532 7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.845 10.279 7.696 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.127 10.672 5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.855 8.737 4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.235 9.307 6.003 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.231 7.835 5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.209 9.030 3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.798 8.145 5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.357 9.806 4.942 1.00 0.00 H new ATOM 1366 N THR A 84 -2.475 8.848 10.263 1.00 0.00 N ATOM 1367 CA THR A 84 -1.772 8.636 11.551 1.00 0.00 C ATOM 1368 C THR A 84 -1.716 7.142 11.935 1.00 0.00 C ATOM 1369 O THR A 84 -0.647 6.593 12.186 1.00 0.00 O ATOM 1370 CB THR A 84 -2.385 9.494 12.683 1.00 0.00 C ATOM 1371 OG1 THR A 84 -1.641 9.306 13.884 1.00 0.00 O ATOM 1372 CG2 THR A 84 -3.863 9.228 12.986 1.00 0.00 C ATOM 0 H THR A 84 -3.263 9.489 10.349 1.00 0.00 H new ATOM 0 HA THR A 84 -0.743 8.969 11.413 1.00 0.00 H new ATOM 0 HB THR A 84 -2.330 10.519 12.315 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.030 9.852 14.599 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.192 9.881 13.794 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.458 9.425 12.095 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.992 8.188 13.285 1.00 0.00 H new ATOM 1380 N GLN A 85 -2.843 6.468 11.707 1.00 0.00 N ATOM 1381 CA GLN A 85 -2.967 5.009 11.892 1.00 0.00 C ATOM 1382 C GLN A 85 -2.397 4.196 10.732 1.00 0.00 C ATOM 1383 O GLN A 85 -1.591 3.284 10.940 1.00 0.00 O ATOM 1384 CB GLN A 85 -4.425 4.632 12.149 1.00 0.00 C ATOM 1385 CG GLN A 85 -4.607 4.241 13.617 1.00 0.00 C ATOM 1386 CD GLN A 85 -4.261 5.387 14.571 1.00 0.00 C ATOM 1387 OE1 GLN A 85 -3.123 5.629 14.945 1.00 0.00 O ATOM 1388 NE2 GLN A 85 -5.255 6.162 14.933 1.00 0.00 N ATOM 0 H GLN A 85 -3.703 6.914 11.387 1.00 0.00 H new ATOM 0 HA GLN A 85 -2.363 4.755 12.763 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.076 5.471 11.903 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -4.715 3.803 11.503 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.639 3.932 13.783 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.977 3.381 13.842 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.203 5.956 14.618 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.080 6.971 15.529 1.00 0.00 H new ATOM 1397 N ALA A 86 -2.706 4.654 9.520 1.00 0.00 N ATOM 1398 CA ALA A 86 -2.108 4.129 8.287 1.00 0.00 C ATOM 1399 C ALA A 86 -0.582 4.241 8.319 1.00 0.00 C ATOM 1400 O ALA A 86 0.043 3.356 7.786 1.00 0.00 O ATOM 1401 CB ALA A 86 -2.637 4.833 7.035 1.00 0.00 C ATOM 0 H ALA A 86 -3.381 5.403 9.362 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.396 3.079 8.236 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.163 4.407 6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.716 4.696 6.969 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.409 5.897 7.092 1.00 0.00 H new ATOM 1407 N TRP A 87 -0.015 5.149 9.112 1.00 0.00 N ATOM 1408 CA TRP A 87 1.437 5.329 9.273 1.00 0.00 C ATOM 1409 C TRP A 87 2.056 4.140 10.010 1.00 0.00 C ATOM 1410 O TRP A 87 2.951 3.510 9.462 1.00 0.00 O ATOM 1411 CB TRP A 87 1.714 6.630 10.029 1.00 0.00 C ATOM 1412 CG TRP A 87 2.981 7.323 9.516 1.00 0.00 C ATOM 1413 CD1 TRP A 87 3.995 7.765 10.263 1.00 0.00 C ATOM 1414 CD2 TRP A 87 3.243 7.670 8.206 1.00 0.00 C ATOM 1415 NE1 TRP A 87 4.878 8.375 9.474 1.00 0.00 N ATOM 1416 CE2 TRP A 87 4.469 8.338 8.216 1.00 0.00 C ATOM 1417 CE3 TRP A 87 2.573 7.457 7.009 1.00 0.00 C ATOM 1418 CZ2 TRP A 87 5.011 8.783 7.019 1.00 0.00 C ATOM 1419 CZ3 TRP A 87 3.143 7.854 5.814 1.00 0.00 C ATOM 1420 CH2 TRP A 87 4.366 8.531 5.819 1.00 0.00 C ATOM 0 H TRP A 87 -0.562 5.799 9.677 1.00 0.00 H new ATOM 0 HA TRP A 87 1.894 5.385 8.285 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.862 7.302 9.922 1.00 0.00 H new ATOM 0 HB3 TRP A 87 1.820 6.418 11.093 1.00 0.00 H new ATOM 0 HD1 TRP A 87 4.085 7.647 11.333 1.00 0.00 H new ATOM 0 HE1 TRP A 87 5.744 8.808 9.793 1.00 0.00 H new ATOM 0 HE3 TRP A 87 1.604 6.980 7.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 5.942 9.330 7.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 2.645 7.642 4.879 1.00 0.00 H new ATOM 0 HH2 TRP A 87 4.807 8.857 4.889 1.00 0.00 H new ATOM 1431 N ASP A 88 1.360 3.668 11.044 1.00 0.00 N ATOM 1432 CA ASP A 88 1.782 2.477 11.800 1.00 0.00 C ATOM 1433 C ASP A 88 1.564 1.213 10.957 1.00 0.00 C ATOM 1434 O ASP A 88 2.513 0.475 10.741 1.00 0.00 O ATOM 1435 CB ASP A 88 1.027 2.363 13.128 1.00 0.00 C ATOM 1436 CG ASP A 88 1.816 1.623 14.220 1.00 0.00 C ATOM 1437 OD1 ASP A 88 2.847 0.992 13.894 1.00 0.00 O ATOM 1438 OD2 ASP A 88 1.387 1.745 15.386 1.00 0.00 O ATOM 0 H ASP A 88 0.496 4.091 11.383 1.00 0.00 H new ATOM 0 HA ASP A 88 2.843 2.580 12.025 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.780 3.363 13.484 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.084 1.844 12.957 1.00 0.00 H new ATOM 1443 N LEU A 89 0.405 1.106 10.305 1.00 0.00 N ATOM 1444 CA LEU A 89 0.080 -0.051 9.444 1.00 0.00 C ATOM 1445 C LEU A 89 0.955 -0.132 8.185 1.00 0.00 C ATOM 1446 O LEU A 89 1.461 -1.197 7.832 1.00 0.00 O ATOM 1447 CB LEU A 89 -1.403 -0.024 9.064 1.00 0.00 C ATOM 1448 CG LEU A 89 -2.343 -0.226 10.258 1.00 0.00 C ATOM 1449 CD1 LEU A 89 -3.792 -0.076 9.796 1.00 0.00 C ATOM 1450 CD2 LEU A 89 -2.132 -1.586 10.935 1.00 0.00 C ATOM 0 H LEU A 89 -0.334 1.808 10.353 1.00 0.00 H new ATOM 0 HA LEU A 89 0.294 -0.947 10.026 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.631 0.930 8.589 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.595 -0.802 8.325 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.114 0.537 11.002 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.461 -0.220 10.644 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.940 0.921 9.381 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.009 -0.823 9.032 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.819 -1.685 11.775 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.321 -2.383 10.216 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.106 -1.658 11.295 1.00 0.00 H new ATOM 1462 N TYR A 90 1.165 1.023 7.566 1.00 0.00 N ATOM 1463 CA TYR A 90 2.103 1.229 6.458 1.00 0.00 C ATOM 1464 C TYR A 90 3.531 0.911 6.899 1.00 0.00 C ATOM 1465 O TYR A 90 4.121 0.034 6.300 1.00 0.00 O ATOM 1466 CB TYR A 90 1.999 2.659 5.904 1.00 0.00 C ATOM 1467 CG TYR A 90 3.126 3.123 5.002 1.00 0.00 C ATOM 1468 CD1 TYR A 90 3.827 2.211 4.219 1.00 0.00 C ATOM 1469 CD2 TYR A 90 3.524 4.456 5.026 1.00 0.00 C ATOM 1470 CE1 TYR A 90 4.910 2.607 3.497 1.00 0.00 C ATOM 1471 CE2 TYR A 90 4.600 4.864 4.274 1.00 0.00 C ATOM 1472 CZ TYR A 90 5.315 3.934 3.515 1.00 0.00 C ATOM 1473 OH TYR A 90 6.402 4.253 2.796 1.00 0.00 O ATOM 0 H TYR A 90 0.671 1.876 7.828 1.00 0.00 H new ATOM 0 HA TYR A 90 1.836 0.544 5.653 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.064 2.742 5.350 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.933 3.347 6.747 1.00 0.00 H new ATOM 0 HD1 TYR A 90 3.509 1.180 4.184 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.988 5.169 5.635 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.457 1.886 2.908 1.00 0.00 H new ATOM 0 HE2 TYR A 90 4.893 5.904 4.270 1.00 0.00 H new ATOM 0 HH TYR A 90 7.067 3.537 2.873 1.00 0.00 H new ATOM 1483 N TYR A 91 4.042 1.537 7.949 1.00 0.00 N ATOM 1484 CA TYR A 91 5.403 1.276 8.450 1.00 0.00 C ATOM 1485 C TYR A 91 5.623 -0.176 8.918 1.00 0.00 C ATOM 1486 O TYR A 91 6.601 -0.820 8.543 1.00 0.00 O ATOM 1487 CB TYR A 91 5.671 2.272 9.575 1.00 0.00 C ATOM 1488 CG TYR A 91 7.137 2.319 9.948 1.00 0.00 C ATOM 1489 CD1 TYR A 91 8.057 2.886 9.069 1.00 0.00 C ATOM 1490 CD2 TYR A 91 7.535 1.907 11.215 1.00 0.00 C ATOM 1491 CE1 TYR A 91 9.367 3.041 9.456 1.00 0.00 C ATOM 1492 CE2 TYR A 91 8.844 2.065 11.607 1.00 0.00 C ATOM 1493 CZ TYR A 91 9.772 2.622 10.724 1.00 0.00 C ATOM 1494 OH TYR A 91 11.069 2.727 11.078 1.00 0.00 O ATOM 0 H TYR A 91 3.534 2.241 8.484 1.00 0.00 H new ATOM 0 HA TYR A 91 6.110 1.407 7.631 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.342 3.265 9.267 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.082 1.998 10.450 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.742 3.203 8.086 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.818 1.464 11.890 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.082 3.486 8.780 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.154 1.759 12.595 1.00 0.00 H new ATOM 0 HH TYR A 91 11.187 2.394 11.992 1.00 0.00 H new ATOM 1504 N HIS A 92 4.599 -0.733 9.557 1.00 0.00 N ATOM 1505 CA HIS A 92 4.580 -2.137 10.017 1.00 0.00 C ATOM 1506 C HIS A 92 4.668 -3.104 8.826 1.00 0.00 C ATOM 1507 O HIS A 92 5.479 -4.027 8.834 1.00 0.00 O ATOM 1508 CB HIS A 92 3.306 -2.409 10.822 1.00 0.00 C ATOM 1509 CG HIS A 92 3.337 -3.774 11.517 1.00 0.00 C ATOM 1510 ND1 HIS A 92 4.420 -4.371 12.001 1.00 0.00 N ATOM 1511 CD2 HIS A 92 2.303 -4.589 11.671 1.00 0.00 C ATOM 1512 CE1 HIS A 92 4.052 -5.569 12.453 1.00 0.00 C ATOM 1513 NE2 HIS A 92 2.744 -5.703 12.253 1.00 0.00 N ATOM 0 H HIS A 92 3.743 -0.224 9.778 1.00 0.00 H new ATOM 0 HA HIS A 92 5.448 -2.300 10.656 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.177 -1.626 11.569 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.443 -2.361 10.158 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.284 -4.386 11.377 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.703 -6.304 12.904 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.179 -6.515 12.501 1.00 0.00 H new ATOM 1521 N VAL A 93 3.990 -2.729 7.743 1.00 0.00 N ATOM 1522 CA VAL A 93 3.994 -3.499 6.488 1.00 0.00 C ATOM 1523 C VAL A 93 5.205 -3.145 5.609 1.00 0.00 C ATOM 1524 O VAL A 93 5.636 -3.975 4.820 1.00 0.00 O ATOM 1525 CB VAL A 93 2.646 -3.363 5.753 1.00 0.00 C ATOM 1526 CG1 VAL A 93 2.489 -2.101 4.901 1.00 0.00 C ATOM 1527 CG2 VAL A 93 2.349 -4.614 4.929 1.00 0.00 C ATOM 0 H VAL A 93 3.421 -1.884 7.705 1.00 0.00 H new ATOM 0 HA VAL A 93 4.107 -4.555 6.734 1.00 0.00 H new ATOM 0 HB VAL A 93 1.906 -3.257 6.546 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.507 -2.102 4.427 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.585 -1.220 5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.263 -2.082 4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.393 -4.495 4.419 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.138 -4.760 4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.304 -5.481 5.588 1.00 0.00 H new ATOM 1537 N PHE A 94 5.694 -1.916 5.721 1.00 0.00 N ATOM 1538 CA PHE A 94 6.868 -1.363 5.027 1.00 0.00 C ATOM 1539 C PHE A 94 8.080 -2.294 5.108 1.00 0.00 C ATOM 1540 O PHE A 94 8.902 -2.250 4.210 1.00 0.00 O ATOM 1541 CB PHE A 94 7.208 0.011 5.623 1.00 0.00 C ATOM 1542 CG PHE A 94 8.347 0.723 4.910 1.00 0.00 C ATOM 1543 CD1 PHE A 94 8.168 1.155 3.596 1.00 0.00 C ATOM 1544 CD2 PHE A 94 9.570 0.939 5.546 1.00 0.00 C ATOM 1545 CE1 PHE A 94 9.189 1.789 2.925 1.00 0.00 C ATOM 1546 CE2 PHE A 94 10.592 1.572 4.875 1.00 0.00 C ATOM 1547 CZ PHE A 94 10.411 2.004 3.556 1.00 0.00 C ATOM 0 H PHE A 94 5.259 -1.229 6.337 1.00 0.00 H new ATOM 0 HA PHE A 94 6.619 -1.259 3.971 1.00 0.00 H new ATOM 0 HB2 PHE A 94 6.320 0.642 5.589 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.470 -0.114 6.674 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.222 0.991 3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 94 9.715 0.610 6.564 1.00 0.00 H new ATOM 0 HE1 PHE A 94 9.042 2.120 1.908 1.00 0.00 H new ATOM 0 HE2 PHE A 94 11.538 1.736 5.369 1.00 0.00 H new ATOM 0 HZ PHE A 94 11.214 2.501 3.031 1.00 0.00 H new ATOM 1557 N ARG A 95 8.144 -3.079 6.184 1.00 0.00 N ATOM 1558 CA ARG A 95 9.101 -4.190 6.361 1.00 0.00 C ATOM 1559 C ARG A 95 8.629 -5.573 5.868 1.00 0.00 C ATOM 1560 O ARG A 95 9.399 -6.312 5.251 1.00 0.00 O ATOM 1561 CB ARG A 95 9.490 -4.249 7.833 1.00 0.00 C ATOM 1562 CG ARG A 95 10.887 -3.664 8.006 1.00 0.00 C ATOM 1563 CD ARG A 95 11.141 -3.410 9.485 1.00 0.00 C ATOM 1564 NE ARG A 95 12.557 -3.078 9.701 1.00 0.00 N ATOM 1565 CZ ARG A 95 13.094 -2.716 10.867 1.00 0.00 C ATOM 1566 NH1 ARG A 95 12.348 -2.537 11.948 1.00 0.00 N ATOM 1567 NH2 ARG A 95 14.396 -2.492 10.958 1.00 0.00 N ATOM 0 H ARG A 95 7.519 -2.963 6.981 1.00 0.00 H new ATOM 0 HA ARG A 95 9.953 -3.967 5.719 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.772 -3.691 8.434 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.468 -5.280 8.186 1.00 0.00 H new ATOM 0 HG2 ARG A 95 11.634 -4.351 7.609 1.00 0.00 H new ATOM 0 HG3 ARG A 95 10.978 -2.735 7.444 1.00 0.00 H new ATOM 0 HD2 ARG A 95 10.510 -2.594 9.836 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.873 -4.293 10.066 1.00 0.00 H new ATOM 0 HE ARG A 95 13.179 -3.129 8.894 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.339 -2.676 11.900 1.00 0.00 H new ATOM 0 HH12 ARG A 95 12.783 -2.260 12.828 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.990 -2.596 10.135 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.805 -2.215 11.851 1.00 0.00 H new ATOM 1581 N ARG A 96 7.330 -5.829 5.976 1.00 0.00 N ATOM 1582 CA ARG A 96 6.672 -7.062 5.486 1.00 0.00 C ATOM 1583 C ARG A 96 6.693 -7.123 3.946 1.00 0.00 C ATOM 1584 O ARG A 96 7.383 -7.953 3.353 1.00 0.00 O ATOM 1585 CB ARG A 96 5.225 -7.100 5.992 1.00 0.00 C ATOM 1586 CG ARG A 96 4.427 -8.301 5.469 1.00 0.00 C ATOM 1587 CD ARG A 96 4.677 -9.518 6.352 1.00 0.00 C ATOM 1588 NE ARG A 96 4.910 -10.716 5.534 1.00 0.00 N ATOM 1589 CZ ARG A 96 4.758 -11.971 5.960 1.00 0.00 C ATOM 1590 NH1 ARG A 96 4.243 -12.237 7.154 1.00 0.00 N ATOM 1591 NH2 ARG A 96 5.094 -12.985 5.180 1.00 0.00 N ATOM 0 H ARG A 96 6.679 -5.178 6.415 1.00 0.00 H new ATOM 0 HA ARG A 96 7.218 -7.925 5.866 1.00 0.00 H new ATOM 0 HB2 ARG A 96 5.230 -7.123 7.082 1.00 0.00 H new ATOM 0 HB3 ARG A 96 4.720 -6.181 5.695 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.363 -8.063 5.456 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.717 -8.521 4.442 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.539 -9.337 6.994 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.821 -9.680 7.007 1.00 0.00 H new ATOM 0 HE ARG A 96 5.210 -10.578 4.569 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.954 -11.474 7.766 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.136 -13.204 7.459 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.471 -12.809 4.249 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.976 -13.943 5.510 1.00 0.00 H new ATOM 1605 N ILE A 97 5.886 -6.250 3.334 1.00 0.00 N ATOM 1606 CA ILE A 97 5.793 -6.080 1.868 1.00 0.00 C ATOM 1607 C ILE A 97 7.130 -5.686 1.231 1.00 0.00 C ATOM 1608 O ILE A 97 7.282 -5.846 0.024 1.00 0.00 O ATOM 1609 CB ILE A 97 4.680 -5.120 1.403 1.00 0.00 C ATOM 1610 CG1 ILE A 97 4.719 -3.702 1.979 1.00 0.00 C ATOM 1611 CG2 ILE A 97 3.310 -5.749 1.599 1.00 0.00 C ATOM 1612 CD1 ILE A 97 5.528 -2.750 1.101 1.00 0.00 C ATOM 0 H ILE A 97 5.264 -5.626 3.848 1.00 0.00 H new ATOM 0 HA ILE A 97 5.516 -7.072 1.512 1.00 0.00 H new ATOM 0 HB ILE A 97 4.882 -4.975 0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.702 -3.324 2.082 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.152 -3.729 2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.539 -5.054 1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.246 -6.669 1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.161 -5.975 2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.529 -1.756 1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.553 -3.112 1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.080 -2.702 0.108 1.00 0.00 H new ATOM 1624 N SER A 98 8.052 -5.222 2.077 1.00 0.00 N ATOM 1625 CA SER A 98 9.442 -4.921 1.701 1.00 0.00 C ATOM 1626 C SER A 98 10.102 -6.145 1.058 1.00 0.00 C ATOM 1627 O SER A 98 10.072 -6.293 -0.161 1.00 0.00 O ATOM 1628 CB SER A 98 10.201 -4.386 2.930 1.00 0.00 C ATOM 1629 OG SER A 98 11.523 -4.880 3.162 1.00 0.00 O ATOM 0 H SER A 98 7.854 -5.040 3.061 1.00 0.00 H new ATOM 0 HA SER A 98 9.468 -4.137 0.944 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.259 -3.301 2.842 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.602 -4.603 3.815 1.00 0.00 H new ATOM 0 HG SER A 98 11.892 -4.462 3.968 1.00 0.00 H new ATOM 1635 N LYS A 99 10.483 -7.091 1.912 1.00 0.00 N ATOM 1636 CA LYS A 99 11.261 -8.283 1.532 1.00 0.00 C ATOM 1637 C LYS A 99 11.362 -9.256 2.724 1.00 0.00 C ATOM 1638 O LYS A 99 12.418 -9.807 3.023 1.00 0.00 O ATOM 1639 CB LYS A 99 12.644 -7.850 0.985 1.00 0.00 C ATOM 1640 CG LYS A 99 13.592 -7.296 2.058 1.00 0.00 C ATOM 1641 CD LYS A 99 14.705 -6.402 1.526 1.00 0.00 C ATOM 1642 CE LYS A 99 14.529 -5.037 2.188 1.00 0.00 C ATOM 1643 NZ LYS A 99 15.775 -4.548 2.785 1.00 0.00 N ATOM 0 H LYS A 99 10.260 -7.057 2.907 1.00 0.00 H new ATOM 0 HA LYS A 99 10.753 -8.823 0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 99 13.117 -8.706 0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 99 12.498 -7.091 0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 99 13.007 -6.731 2.784 1.00 0.00 H new ATOM 0 HG3 LYS A 99 14.041 -8.133 2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.683 -6.822 1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 99 14.646 -6.316 0.441 1.00 0.00 H new ATOM 0 HE2 LYS A 99 14.176 -4.319 1.448 1.00 0.00 H new ATOM 0 HE3 LYS A 99 13.761 -5.105 2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 15.609 -3.619 3.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.100 -5.219 3.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.502 -4.458 2.047 1.00 0.00 H new