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 14 HIS : no HE2:sc= -2.2! C(o=-2.2!,f=-3.2!) USER MOD Set 1.2: A 98 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 33 MET CE :methyl -170:sc= -1.26 (180deg=-1.51) USER MOD Set 2.2: A 90 TYR OH : rot -161:sc= -1.01 USER MOD Set 3.1: A 12 MET CE :methyl 160:sc=-0.00204 (180deg=-1.07) USER MOD Set 3.2: A 43 MET CE :methyl -175:sc= 0 (180deg=0) USER MOD Set 4.1: A 41 HIS : no HD1:sc= 0.168 K(o=-0.25,f=-2.2) USER MOD Set 4.2: A 68 GLN : amide:sc= 0 X(o=-0.25,f=-0.43) USER MOD Set 4.3: A 71 CYS SG : rot -169:sc= -0.419 USER MOD Single : A 10 HIS : no HD1:sc= -0.996 K(o=-1,f=-0.16) USER MOD Single : A 21 SER OG : rot 180:sc=-0.00606 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.821 K(o=-0.82,f=-3.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -118:sc= -2.01 (180deg=-4.79!) USER MOD Single : A 49 GLN : amide:sc= -0.764 K(o=-0.76,f=-2.5) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.055 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.806 K(o=-0.81,f=-1.4) USER MOD Single : A 58 GLN : amide:sc= -0.346 X(o=-0.35,f=-0.48) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -176:sc= 0 (180deg=-0.0371) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 158:sc= -0.762 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=-0.00434 K(o=-0.0043,f=-0.6) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.15 K(o=-0.15,f=-0.96) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 7 6.431 -9.311 -12.599 1.00 0.00 N ATOM 106 CA ILE A 7 6.204 -8.024 -11.921 1.00 0.00 C ATOM 107 C ILE A 7 5.126 -8.196 -10.846 1.00 0.00 C ATOM 108 O ILE A 7 3.934 -7.975 -11.044 1.00 0.00 O ATOM 109 CB ILE A 7 5.986 -6.893 -12.960 1.00 0.00 C ATOM 110 CG1 ILE A 7 6.214 -5.483 -12.382 1.00 0.00 C ATOM 111 CG2 ILE A 7 4.699 -7.006 -13.799 1.00 0.00 C ATOM 112 CD1 ILE A 7 5.256 -4.967 -11.298 1.00 0.00 C ATOM 0 HA ILE A 7 7.087 -7.695 -11.373 1.00 0.00 H new ATOM 0 HB ILE A 7 6.781 -7.057 -13.687 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.224 -5.453 -11.972 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.185 -4.777 -13.212 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.643 -6.168 -14.493 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.711 -7.941 -14.359 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.832 -6.989 -13.139 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.553 -3.962 -10.999 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.240 -4.943 -11.692 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.294 -5.629 -10.433 1.00 0.00 H new ATOM 124 N LEU A 8 5.579 -8.793 -9.750 1.00 0.00 N ATOM 125 CA LEU A 8 4.671 -9.083 -8.634 1.00 0.00 C ATOM 126 C LEU A 8 3.966 -7.811 -8.145 1.00 0.00 C ATOM 127 O LEU A 8 4.384 -6.688 -8.422 1.00 0.00 O ATOM 128 CB LEU A 8 5.424 -9.769 -7.487 1.00 0.00 C ATOM 129 CG LEU A 8 5.063 -11.237 -7.250 1.00 0.00 C ATOM 130 CD1 LEU A 8 3.561 -11.353 -7.043 1.00 0.00 C ATOM 131 CD2 LEU A 8 5.542 -12.148 -8.383 1.00 0.00 C ATOM 0 H LEU A 8 6.546 -9.082 -9.606 1.00 0.00 H new ATOM 0 HA LEU A 8 3.903 -9.767 -8.995 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.494 -9.703 -7.687 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.236 -9.213 -6.568 1.00 0.00 H new ATOM 0 HG LEU A 8 5.581 -11.577 -6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.297 -12.397 -6.874 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.266 -10.759 -6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.042 -10.987 -7.929 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.260 -13.178 -8.165 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.081 -11.836 -9.320 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.626 -12.079 -8.472 1.00 0.00 H new ATOM 143 N TRP A 9 2.906 -8.025 -7.384 1.00 0.00 N ATOM 144 CA TRP A 9 2.132 -6.905 -6.828 1.00 0.00 C ATOM 145 C TRP A 9 2.773 -6.262 -5.594 1.00 0.00 C ATOM 146 O TRP A 9 3.139 -5.096 -5.632 1.00 0.00 O ATOM 147 CB TRP A 9 0.700 -7.345 -6.574 1.00 0.00 C ATOM 148 CG TRP A 9 -0.226 -7.127 -7.778 1.00 0.00 C ATOM 149 CD1 TRP A 9 0.068 -6.612 -8.979 1.00 0.00 C ATOM 150 CD2 TRP A 9 -1.583 -7.334 -7.734 1.00 0.00 C ATOM 151 NE1 TRP A 9 -1.053 -6.500 -9.687 1.00 0.00 N ATOM 152 CE2 TRP A 9 -2.081 -6.943 -8.987 1.00 0.00 C ATOM 153 CE3 TRP A 9 -2.447 -7.733 -6.727 1.00 0.00 C ATOM 154 CZ2 TRP A 9 -3.445 -6.982 -9.214 1.00 0.00 C ATOM 155 CZ3 TRP A 9 -3.807 -7.802 -6.972 1.00 0.00 C ATOM 156 CH2 TRP A 9 -4.307 -7.422 -8.219 1.00 0.00 C ATOM 0 H TRP A 9 2.557 -8.950 -7.133 1.00 0.00 H new ATOM 0 HA TRP A 9 2.129 -6.111 -7.575 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.694 -8.402 -6.307 1.00 0.00 H new ATOM 0 HB3 TRP A 9 0.306 -6.798 -5.718 1.00 0.00 H new ATOM 0 HD1 TRP A 9 1.055 -6.333 -9.318 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -1.110 -6.126 -10.634 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -2.059 -7.990 -5.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.841 -6.669 -10.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -4.480 -8.149 -6.201 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -5.369 -7.471 -8.410 1.00 0.00 H new ATOM 167 N HIS A 10 3.235 -7.112 -4.681 1.00 0.00 N ATOM 168 CA HIS A 10 4.008 -6.675 -3.497 1.00 0.00 C ATOM 169 C HIS A 10 5.281 -5.887 -3.894 1.00 0.00 C ATOM 170 O HIS A 10 5.697 -4.973 -3.193 1.00 0.00 O ATOM 171 CB HIS A 10 4.262 -7.926 -2.642 1.00 0.00 C ATOM 172 CG HIS A 10 5.693 -8.139 -2.097 1.00 0.00 C ATOM 173 ND1 HIS A 10 6.072 -8.114 -0.829 1.00 0.00 N ATOM 174 CD2 HIS A 10 6.759 -8.368 -2.847 1.00 0.00 C ATOM 175 CE1 HIS A 10 7.399 -8.299 -0.801 1.00 0.00 C ATOM 176 NE2 HIS A 10 7.813 -8.457 -2.047 1.00 0.00 N ATOM 0 H HIS A 10 3.091 -8.121 -4.730 1.00 0.00 H new ATOM 0 HA HIS A 10 3.451 -5.955 -2.898 1.00 0.00 H new ATOM 0 HB2 HIS A 10 3.579 -7.897 -1.793 1.00 0.00 H new ATOM 0 HB3 HIS A 10 3.995 -8.800 -3.236 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.769 -8.465 -3.923 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.020 -8.316 0.082 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.776 -8.619 -2.342 1.00 0.00 H new ATOM 184 N GLU A 11 5.819 -6.215 -5.073 1.00 0.00 N ATOM 185 CA GLU A 11 7.039 -5.589 -5.623 1.00 0.00 C ATOM 186 C GLU A 11 6.811 -4.107 -5.933 1.00 0.00 C ATOM 187 O GLU A 11 7.547 -3.245 -5.457 1.00 0.00 O ATOM 188 CB GLU A 11 7.483 -6.288 -6.910 1.00 0.00 C ATOM 189 CG GLU A 11 7.927 -7.736 -6.703 1.00 0.00 C ATOM 190 CD GLU A 11 9.191 -7.924 -5.865 1.00 0.00 C ATOM 191 OE1 GLU A 11 10.258 -7.547 -6.388 1.00 0.00 O ATOM 192 OE2 GLU A 11 9.074 -8.640 -4.854 1.00 0.00 O ATOM 0 H GLU A 11 5.420 -6.929 -5.683 1.00 0.00 H new ATOM 0 HA GLU A 11 7.814 -5.688 -4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.661 -6.268 -7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.305 -5.725 -7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.113 -8.283 -6.228 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.089 -8.191 -7.680 1.00 0.00 H new ATOM 199 N MET A 12 5.662 -3.829 -6.554 1.00 0.00 N ATOM 200 CA MET A 12 5.250 -2.444 -6.829 1.00 0.00 C ATOM 201 C MET A 12 4.899 -1.730 -5.513 1.00 0.00 C ATOM 202 O MET A 12 4.968 -0.515 -5.471 1.00 0.00 O ATOM 203 CB MET A 12 4.100 -2.396 -7.843 1.00 0.00 C ATOM 204 CG MET A 12 2.737 -2.675 -7.213 1.00 0.00 C ATOM 205 SD MET A 12 1.617 -3.677 -8.239 1.00 0.00 S ATOM 206 CE MET A 12 0.530 -2.348 -8.678 1.00 0.00 C ATOM 0 H MET A 12 5.002 -4.537 -6.875 1.00 0.00 H new ATOM 0 HA MET A 12 6.084 -1.911 -7.285 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.081 -1.414 -8.317 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.286 -3.126 -8.630 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.889 -3.184 -6.261 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.252 -1.724 -6.992 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.031 -2.617 -9.573 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.163 -2.159 -7.858 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.115 -1.449 -8.873 1.00 0.00 H new ATOM 216 N TRP A 13 4.485 -2.481 -4.486 1.00 0.00 N ATOM 217 CA TRP A 13 4.237 -1.930 -3.143 1.00 0.00 C ATOM 218 C TRP A 13 5.463 -1.277 -2.512 1.00 0.00 C ATOM 219 O TRP A 13 5.345 -0.157 -2.045 1.00 0.00 O ATOM 220 CB TRP A 13 3.656 -2.952 -2.167 1.00 0.00 C ATOM 221 CG TRP A 13 2.125 -2.922 -2.123 1.00 0.00 C ATOM 222 CD1 TRP A 13 1.344 -3.995 -2.015 1.00 0.00 C ATOM 223 CD2 TRP A 13 1.313 -1.806 -2.144 1.00 0.00 C ATOM 224 NE1 TRP A 13 0.077 -3.594 -1.969 1.00 0.00 N ATOM 225 CE2 TRP A 13 -0.004 -2.281 -2.064 1.00 0.00 C ATOM 226 CE3 TRP A 13 1.540 -0.443 -2.151 1.00 0.00 C ATOM 227 CZ2 TRP A 13 -1.061 -1.387 -2.023 1.00 0.00 C ATOM 228 CZ3 TRP A 13 0.479 0.439 -2.063 1.00 0.00 C ATOM 229 CH2 TRP A 13 -0.831 -0.027 -2.005 1.00 0.00 C ATOM 0 H TRP A 13 4.312 -3.484 -4.559 1.00 0.00 H new ATOM 0 HA TRP A 13 3.491 -1.155 -3.320 1.00 0.00 H new ATOM 0 HB2 TRP A 13 3.988 -3.950 -2.452 1.00 0.00 H new ATOM 0 HB3 TRP A 13 4.048 -2.759 -1.169 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.683 -5.020 -1.972 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -0.724 -4.218 -1.873 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.549 -0.066 -2.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -2.075 -1.758 -2.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.669 1.502 -2.039 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.657 0.667 -1.947 1.00 0.00 H new ATOM 240 N HIS A 14 6.649 -1.827 -2.755 1.00 0.00 N ATOM 241 CA HIS A 14 7.909 -1.246 -2.255 1.00 0.00 C ATOM 242 C HIS A 14 8.086 0.221 -2.697 1.00 0.00 C ATOM 243 O HIS A 14 7.890 1.154 -1.921 1.00 0.00 O ATOM 244 CB HIS A 14 9.066 -2.102 -2.768 1.00 0.00 C ATOM 245 CG HIS A 14 9.963 -2.635 -1.654 1.00 0.00 C ATOM 246 ND1 HIS A 14 10.681 -3.739 -1.774 1.00 0.00 N ATOM 247 CD2 HIS A 14 10.248 -2.071 -0.481 1.00 0.00 C ATOM 248 CE1 HIS A 14 11.424 -3.858 -0.677 1.00 0.00 C ATOM 249 NE2 HIS A 14 11.149 -2.837 0.126 1.00 0.00 N ATOM 0 H HIS A 14 6.773 -2.681 -3.299 1.00 0.00 H new ATOM 0 HA HIS A 14 7.889 -1.243 -1.165 1.00 0.00 H new ATOM 0 HB2 HIS A 14 8.664 -2.942 -3.335 1.00 0.00 H new ATOM 0 HB3 HIS A 14 9.668 -1.511 -3.458 1.00 0.00 H new ATOM 0 HD1 HIS A 14 10.668 -4.383 -2.565 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.824 -1.157 -0.093 1.00 0.00 H new ATOM 0 HE1 HIS A 14 12.130 -4.650 -0.474 1.00 0.00 H new ATOM 257 N GLU A 15 8.287 0.395 -4.000 1.00 0.00 N ATOM 258 CA GLU A 15 8.387 1.725 -4.630 1.00 0.00 C ATOM 259 C GLU A 15 7.081 2.515 -4.625 1.00 0.00 C ATOM 260 O GLU A 15 7.103 3.708 -4.357 1.00 0.00 O ATOM 261 CB GLU A 15 8.877 1.637 -6.067 1.00 0.00 C ATOM 262 CG GLU A 15 10.404 1.582 -6.106 1.00 0.00 C ATOM 263 CD GLU A 15 10.985 2.590 -7.104 1.00 0.00 C ATOM 264 OE1 GLU A 15 10.328 2.848 -8.139 1.00 0.00 O ATOM 265 OE2 GLU A 15 12.089 3.089 -6.805 1.00 0.00 O ATOM 0 H GLU A 15 8.386 -0.378 -4.657 1.00 0.00 H new ATOM 0 HA GLU A 15 9.110 2.256 -4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.462 0.750 -6.546 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.523 2.499 -6.632 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.800 1.786 -5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.725 0.576 -6.377 1.00 0.00 H new ATOM 272 N GLY A 16 5.961 1.842 -4.871 1.00 0.00 N ATOM 273 CA GLY A 16 4.630 2.462 -4.817 1.00 0.00 C ATOM 274 C GLY A 16 4.296 3.036 -3.434 1.00 0.00 C ATOM 275 O GLY A 16 3.628 4.059 -3.337 1.00 0.00 O ATOM 0 H GLY A 16 5.945 0.851 -5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.575 3.259 -5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.878 1.721 -5.089 1.00 0.00 H new ATOM 279 N LEU A 17 4.868 2.431 -2.396 1.00 0.00 N ATOM 280 CA LEU A 17 4.817 2.976 -1.036 1.00 0.00 C ATOM 281 C LEU A 17 5.834 4.090 -0.832 1.00 0.00 C ATOM 282 O LEU A 17 5.404 5.131 -0.384 1.00 0.00 O ATOM 283 CB LEU A 17 4.929 1.941 0.092 1.00 0.00 C ATOM 284 CG LEU A 17 3.696 1.038 0.260 1.00 0.00 C ATOM 285 CD1 LEU A 17 3.794 0.315 1.598 1.00 0.00 C ATOM 286 CD2 LEU A 17 2.365 1.786 0.230 1.00 0.00 C ATOM 0 H LEU A 17 5.379 1.552 -2.470 1.00 0.00 H new ATOM 0 HA LEU A 17 3.809 3.384 -0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.800 1.313 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.109 2.465 1.031 1.00 0.00 H new ATOM 0 HG LEU A 17 3.702 0.355 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.924 -0.329 1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.700 -0.291 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.828 1.047 2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.546 1.077 0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.340 2.516 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.258 2.299 -0.725 1.00 0.00 H new ATOM 298 N GLU A 18 6.985 4.007 -1.500 1.00 0.00 N ATOM 299 CA GLU A 18 8.037 5.033 -1.404 1.00 0.00 C ATOM 300 C GLU A 18 7.658 6.288 -2.201 1.00 0.00 C ATOM 301 O GLU A 18 7.384 7.281 -1.556 1.00 0.00 O ATOM 302 CB GLU A 18 9.395 4.491 -1.837 1.00 0.00 C ATOM 303 CG GLU A 18 10.507 5.466 -1.431 1.00 0.00 C ATOM 304 CD GLU A 18 11.834 5.140 -2.118 1.00 0.00 C ATOM 305 OE1 GLU A 18 11.795 4.890 -3.344 1.00 0.00 O ATOM 306 OE2 GLU A 18 12.860 5.208 -1.411 1.00 0.00 O ATOM 0 H GLU A 18 7.219 3.233 -2.121 1.00 0.00 H new ATOM 0 HA GLU A 18 8.123 5.316 -0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.569 3.518 -1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.408 4.342 -2.917 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.208 6.483 -1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.641 5.433 -0.350 1.00 0.00 H new ATOM 313 N GLU A 19 7.343 6.161 -3.491 1.00 0.00 N ATOM 314 CA GLU A 19 6.838 7.258 -4.348 1.00 0.00 C ATOM 315 C GLU A 19 5.612 7.983 -3.757 1.00 0.00 C ATOM 316 O GLU A 19 5.384 9.153 -4.039 1.00 0.00 O ATOM 317 CB GLU A 19 6.557 6.732 -5.767 1.00 0.00 C ATOM 318 CG GLU A 19 6.005 7.768 -6.765 1.00 0.00 C ATOM 319 CD GLU A 19 6.867 9.024 -6.980 1.00 0.00 C ATOM 320 OE1 GLU A 19 7.323 9.629 -5.986 1.00 0.00 O ATOM 321 OE2 GLU A 19 7.005 9.395 -8.166 1.00 0.00 O ATOM 0 H GLU A 19 7.431 5.275 -3.990 1.00 0.00 H new ATOM 0 HA GLU A 19 7.623 8.013 -4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.482 6.321 -6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.846 5.909 -5.696 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.867 7.277 -7.728 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.019 8.083 -6.423 1.00 0.00 H new ATOM 328 N ALA A 20 4.914 7.314 -2.846 1.00 0.00 N ATOM 329 CA ALA A 20 3.784 7.894 -2.109 1.00 0.00 C ATOM 330 C ALA A 20 4.183 8.437 -0.732 1.00 0.00 C ATOM 331 O ALA A 20 4.157 9.644 -0.502 1.00 0.00 O ATOM 332 CB ALA A 20 2.717 6.830 -1.930 1.00 0.00 C ATOM 0 H ALA A 20 5.113 6.346 -2.592 1.00 0.00 H new ATOM 0 HA ALA A 20 3.413 8.736 -2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.873 7.250 -1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.381 6.484 -2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.130 5.991 -1.370 1.00 0.00 H new ATOM 338 N SER A 21 4.703 7.559 0.118 1.00 0.00 N ATOM 339 CA SER A 21 5.192 7.892 1.465 1.00 0.00 C ATOM 340 C SER A 21 6.273 8.970 1.406 1.00 0.00 C ATOM 341 O SER A 21 6.343 9.743 2.333 1.00 0.00 O ATOM 342 CB SER A 21 5.727 6.688 2.254 1.00 0.00 C ATOM 343 OG SER A 21 6.967 6.187 1.735 1.00 0.00 O ATOM 0 H SER A 21 4.802 6.570 -0.109 1.00 0.00 H new ATOM 0 HA SER A 21 4.316 8.261 1.998 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.865 6.975 3.296 1.00 0.00 H new ATOM 0 HB3 SER A 21 4.984 5.891 2.239 1.00 0.00 H new ATOM 0 HG SER A 21 7.263 5.424 2.274 1.00 0.00 H new ATOM 349 N ARG A 22 6.955 9.124 0.271 1.00 0.00 N ATOM 350 CA ARG A 22 7.958 10.174 -0.016 1.00 0.00 C ATOM 351 C ARG A 22 7.261 11.527 -0.224 1.00 0.00 C ATOM 352 O ARG A 22 7.642 12.526 0.373 1.00 0.00 O ATOM 353 CB ARG A 22 8.722 9.836 -1.305 1.00 0.00 C ATOM 354 CG ARG A 22 9.893 10.770 -1.603 1.00 0.00 C ATOM 355 CD ARG A 22 11.175 10.274 -0.932 1.00 0.00 C ATOM 356 NE ARG A 22 12.015 11.432 -0.594 1.00 0.00 N ATOM 357 CZ ARG A 22 11.914 12.161 0.523 1.00 0.00 C ATOM 358 NH1 ARG A 22 11.016 11.883 1.459 1.00 0.00 N ATOM 359 NH2 ARG A 22 12.715 13.196 0.717 1.00 0.00 N ATOM 0 H ARG A 22 6.823 8.493 -0.519 1.00 0.00 H new ATOM 0 HA ARG A 22 8.644 10.227 0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.096 8.814 -1.235 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.027 9.864 -2.144 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.045 10.836 -2.680 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.660 11.775 -1.251 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.935 9.708 -0.032 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.713 9.600 -1.599 1.00 0.00 H new ATOM 0 HE ARG A 22 12.733 11.702 -1.266 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.379 11.096 1.337 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.962 12.457 2.301 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.412 13.440 0.014 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.635 13.750 1.570 1.00 0.00 H new ATOM 373 N LEU A 23 6.138 11.516 -0.940 1.00 0.00 N ATOM 374 CA LEU A 23 5.319 12.728 -1.122 1.00 0.00 C ATOM 375 C LEU A 23 4.767 13.238 0.222 1.00 0.00 C ATOM 376 O LEU A 23 4.712 14.442 0.435 1.00 0.00 O ATOM 377 CB LEU A 23 4.215 12.485 -2.160 1.00 0.00 C ATOM 378 CG LEU A 23 4.785 12.251 -3.569 1.00 0.00 C ATOM 379 CD1 LEU A 23 3.718 11.654 -4.485 1.00 0.00 C ATOM 380 CD2 LEU A 23 5.285 13.554 -4.198 1.00 0.00 C ATOM 0 H LEU A 23 5.769 10.687 -1.405 1.00 0.00 H new ATOM 0 HA LEU A 23 5.957 13.521 -1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.622 11.621 -1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.542 13.342 -2.180 1.00 0.00 H new ATOM 0 HG LEU A 23 5.622 11.561 -3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.138 11.495 -5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.380 10.701 -4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.873 12.339 -4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.681 13.349 -5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.459 14.261 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.072 13.980 -3.575 1.00 0.00 H new ATOM 392 N TYR A 24 4.649 12.334 1.193 1.00 0.00 N ATOM 393 CA TYR A 24 4.254 12.629 2.584 1.00 0.00 C ATOM 394 C TYR A 24 5.435 12.880 3.549 1.00 0.00 C ATOM 395 O TYR A 24 5.543 13.923 4.174 1.00 0.00 O ATOM 396 CB TYR A 24 3.362 11.473 3.050 1.00 0.00 C ATOM 397 CG TYR A 24 3.151 11.418 4.559 1.00 0.00 C ATOM 398 CD1 TYR A 24 2.592 12.496 5.239 1.00 0.00 C ATOM 399 CD2 TYR A 24 3.642 10.328 5.273 1.00 0.00 C ATOM 400 CE1 TYR A 24 2.499 12.474 6.616 1.00 0.00 C ATOM 401 CE2 TYR A 24 3.555 10.307 6.650 1.00 0.00 C ATOM 402 CZ TYR A 24 2.966 11.371 7.327 1.00 0.00 C ATOM 403 OH TYR A 24 2.745 11.284 8.656 1.00 0.00 O ATOM 0 H TYR A 24 4.830 11.342 1.036 1.00 0.00 H new ATOM 0 HA TYR A 24 3.716 13.577 2.601 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.391 11.557 2.561 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.804 10.532 2.721 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.230 13.352 4.688 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.092 9.498 4.748 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.064 13.311 7.142 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.944 9.465 7.203 1.00 0.00 H new ATOM 0 HH TYR A 24 3.135 10.453 8.999 1.00 0.00 H new ATOM 413 N PHE A 25 6.334 11.919 3.670 1.00 0.00 N ATOM 414 CA PHE A 25 7.531 11.980 4.527 1.00 0.00 C ATOM 415 C PHE A 25 8.621 12.946 4.015 1.00 0.00 C ATOM 416 O PHE A 25 9.647 13.164 4.655 1.00 0.00 O ATOM 417 CB PHE A 25 8.039 10.537 4.657 1.00 0.00 C ATOM 418 CG PHE A 25 9.333 10.397 5.439 1.00 0.00 C ATOM 419 CD1 PHE A 25 9.484 11.011 6.684 1.00 0.00 C ATOM 420 CD2 PHE A 25 10.426 9.798 4.819 1.00 0.00 C ATOM 421 CE1 PHE A 25 10.716 11.017 7.299 1.00 0.00 C ATOM 422 CE2 PHE A 25 11.654 9.800 5.439 1.00 0.00 C ATOM 423 CZ PHE A 25 11.809 10.407 6.688 1.00 0.00 C ATOM 0 H PHE A 25 6.258 11.038 3.161 1.00 0.00 H new ATOM 0 HA PHE A 25 7.268 12.397 5.499 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.269 9.936 5.141 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.185 10.125 3.659 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.637 11.480 7.163 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.310 9.332 3.852 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.835 11.497 8.259 1.00 0.00 H new ATOM 0 HE2 PHE A 25 12.500 9.331 4.959 1.00 0.00 H new ATOM 0 HZ PHE A 25 12.772 10.403 7.177 1.00 0.00 H new ATOM 433 N GLY A 26 8.353 13.545 2.856 1.00 0.00 N ATOM 434 CA GLY A 26 9.264 14.506 2.209 1.00 0.00 C ATOM 435 C GLY A 26 8.597 15.863 1.966 1.00 0.00 C ATOM 436 O GLY A 26 9.255 16.897 2.019 1.00 0.00 O ATOM 0 H GLY A 26 7.494 13.381 2.331 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.147 14.644 2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.606 14.096 1.259 1.00 0.00 H new ATOM 440 N GLU A 27 7.325 15.820 1.576 1.00 0.00 N ATOM 441 CA GLU A 27 6.555 17.047 1.288 1.00 0.00 C ATOM 442 C GLU A 27 5.165 17.116 1.941 1.00 0.00 C ATOM 443 O GLU A 27 4.350 17.965 1.577 1.00 0.00 O ATOM 444 CB GLU A 27 6.492 17.340 -0.227 1.00 0.00 C ATOM 445 CG GLU A 27 6.648 16.153 -1.192 1.00 0.00 C ATOM 446 CD GLU A 27 8.090 15.958 -1.676 1.00 0.00 C ATOM 447 OE1 GLU A 27 8.933 15.500 -0.878 1.00 0.00 O ATOM 448 OE2 GLU A 27 8.307 16.242 -2.872 1.00 0.00 O ATOM 0 H GLU A 27 6.799 14.955 1.450 1.00 0.00 H new ATOM 0 HA GLU A 27 7.121 17.844 1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.535 17.819 -0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.270 18.067 -0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.311 15.243 -0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.999 16.305 -2.054 1.00 0.00 H new ATOM 455 N ARG A 28 4.912 16.233 2.911 1.00 0.00 N ATOM 456 CA ARG A 28 3.619 16.068 3.615 1.00 0.00 C ATOM 457 C ARG A 28 2.377 16.206 2.723 1.00 0.00 C ATOM 458 O ARG A 28 1.268 16.529 3.148 1.00 0.00 O ATOM 459 CB ARG A 28 3.579 16.961 4.854 1.00 0.00 C ATOM 460 CG ARG A 28 4.331 16.302 6.012 1.00 0.00 C ATOM 461 CD ARG A 28 3.373 15.915 7.148 1.00 0.00 C ATOM 462 NE ARG A 28 2.745 17.115 7.733 1.00 0.00 N ATOM 463 CZ ARG A 28 3.349 18.056 8.469 1.00 0.00 C ATOM 464 NH1 ARG A 28 4.631 17.969 8.800 1.00 0.00 N ATOM 465 NH2 ARG A 28 2.669 19.110 8.887 1.00 0.00 N ATOM 0 H ARG A 28 5.624 15.584 3.247 1.00 0.00 H new ATOM 0 HA ARG A 28 3.569 15.029 3.939 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.025 17.929 4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.544 17.147 5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.851 15.414 5.653 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.091 16.985 6.391 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.603 15.244 6.768 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.917 15.371 7.920 1.00 0.00 H new ATOM 0 HE ARG A 28 1.748 17.241 7.559 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.184 17.169 8.492 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.063 18.702 9.362 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.682 19.207 8.649 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.131 19.826 9.448 1.00 0.00 H new ATOM 479 N ASN A 29 2.573 15.716 1.507 1.00 0.00 N ATOM 480 CA ASN A 29 1.593 15.818 0.430 1.00 0.00 C ATOM 481 C ASN A 29 0.944 14.443 0.276 1.00 0.00 C ATOM 482 O ASN A 29 1.144 13.695 -0.684 1.00 0.00 O ATOM 483 CB ASN A 29 2.291 16.319 -0.840 1.00 0.00 C ATOM 484 CG ASN A 29 1.282 16.828 -1.868 1.00 0.00 C ATOM 485 OD1 ASN A 29 0.093 16.988 -1.607 1.00 0.00 O ATOM 486 ND2 ASN A 29 1.690 16.919 -3.110 1.00 0.00 N ATOM 0 H ASN A 29 3.427 15.230 1.235 1.00 0.00 H new ATOM 0 HA ASN A 29 0.805 16.540 0.645 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.986 17.119 -0.583 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.880 15.512 -1.275 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.021 17.122 -3.853 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.676 16.787 -3.334 1.00 0.00 H new ATOM 493 N VAL A 30 0.098 14.203 1.273 1.00 0.00 N ATOM 494 CA VAL A 30 -0.769 13.007 1.347 1.00 0.00 C ATOM 495 C VAL A 30 -1.760 12.997 0.158 1.00 0.00 C ATOM 496 O VAL A 30 -2.168 11.942 -0.317 1.00 0.00 O ATOM 497 CB VAL A 30 -1.471 12.868 2.716 1.00 0.00 C ATOM 498 CG1 VAL A 30 -2.084 11.474 2.882 1.00 0.00 C ATOM 499 CG2 VAL A 30 -0.527 13.087 3.902 1.00 0.00 C ATOM 0 H VAL A 30 -0.014 14.834 2.067 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.138 12.123 1.263 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.238 13.642 2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.571 11.404 3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.818 11.303 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.299 10.721 2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.082 12.976 4.834 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.277 12.352 3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.103 14.090 3.850 1.00 0.00 H new ATOM 509 N LYS A 31 -1.944 14.170 -0.449 1.00 0.00 N ATOM 510 CA LYS A 31 -2.699 14.342 -1.703 1.00 0.00 C ATOM 511 C LYS A 31 -1.945 13.736 -2.907 1.00 0.00 C ATOM 512 O LYS A 31 -2.500 12.924 -3.642 1.00 0.00 O ATOM 513 CB LYS A 31 -3.009 15.840 -1.862 1.00 0.00 C ATOM 514 CG LYS A 31 -3.446 16.314 -3.258 1.00 0.00 C ATOM 515 CD LYS A 31 -4.593 15.507 -3.877 1.00 0.00 C ATOM 516 CE LYS A 31 -5.836 16.359 -4.121 1.00 0.00 C ATOM 517 NZ LYS A 31 -6.667 16.464 -2.914 1.00 0.00 N ATOM 0 H LYS A 31 -1.569 15.045 -0.082 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.641 13.794 -1.665 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.795 16.101 -1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.121 16.403 -1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.748 17.359 -3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.587 16.271 -3.927 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.261 15.074 -4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.848 14.677 -3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.536 17.356 -4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.423 15.924 -4.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.502 17.050 -3.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.973 15.515 -2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.115 16.902 -2.149 1.00 0.00 H new ATOM 531 N GLY A 32 -0.658 14.086 -3.033 1.00 0.00 N ATOM 532 CA GLY A 32 0.218 13.581 -4.111 1.00 0.00 C ATOM 533 C GLY A 32 0.373 12.055 -4.052 1.00 0.00 C ATOM 534 O GLY A 32 0.043 11.343 -4.997 1.00 0.00 O ATOM 0 H GLY A 32 -0.190 14.727 -2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.194 13.867 -5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.199 14.049 -4.031 1.00 0.00 H new ATOM 538 N MET A 33 0.771 11.574 -2.876 1.00 0.00 N ATOM 539 CA MET A 33 0.909 10.133 -2.584 1.00 0.00 C ATOM 540 C MET A 33 -0.343 9.304 -2.911 1.00 0.00 C ATOM 541 O MET A 33 -0.258 8.215 -3.473 1.00 0.00 O ATOM 542 CB MET A 33 1.287 9.977 -1.110 1.00 0.00 C ATOM 543 CG MET A 33 0.174 10.071 -0.073 1.00 0.00 C ATOM 544 SD MET A 33 0.750 9.762 1.631 1.00 0.00 S ATOM 545 CE MET A 33 1.075 8.025 1.490 1.00 0.00 C ATOM 0 H MET A 33 1.011 12.173 -2.086 1.00 0.00 H new ATOM 0 HA MET A 33 1.688 9.739 -3.236 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.774 9.009 -0.991 1.00 0.00 H new ATOM 0 HB3 MET A 33 2.030 10.739 -0.873 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.277 11.062 -0.123 1.00 0.00 H new ATOM 0 HG3 MET A 33 -0.607 9.352 -0.322 1.00 0.00 H new ATOM 0 HE1 MET A 33 1.269 7.610 2.479 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.210 7.528 1.051 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.946 7.868 0.853 1.00 0.00 H new ATOM 555 N PHE A 34 -1.481 9.966 -2.739 1.00 0.00 N ATOM 556 CA PHE A 34 -2.817 9.418 -2.991 1.00 0.00 C ATOM 557 C PHE A 34 -3.042 9.117 -4.480 1.00 0.00 C ATOM 558 O PHE A 34 -3.881 8.288 -4.807 1.00 0.00 O ATOM 559 CB PHE A 34 -3.834 10.439 -2.485 1.00 0.00 C ATOM 560 CG PHE A 34 -5.093 9.769 -1.970 1.00 0.00 C ATOM 561 CD1 PHE A 34 -5.012 8.817 -0.952 1.00 0.00 C ATOM 562 CD2 PHE A 34 -6.325 10.109 -2.515 1.00 0.00 C ATOM 563 CE1 PHE A 34 -6.157 8.198 -0.501 1.00 0.00 C ATOM 564 CE2 PHE A 34 -7.472 9.497 -2.055 1.00 0.00 C ATOM 565 CZ PHE A 34 -7.393 8.527 -1.055 1.00 0.00 C ATOM 0 H PHE A 34 -1.505 10.931 -2.410 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.928 8.468 -2.468 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.387 11.034 -1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.091 11.126 -3.291 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.055 8.567 -0.519 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.384 10.851 -3.297 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.097 7.457 0.283 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.432 9.769 -2.469 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.289 8.032 -0.711 1.00 0.00 H new ATOM 575 N GLU A 35 -2.255 9.745 -5.350 1.00 0.00 N ATOM 576 CA GLU A 35 -2.261 9.494 -6.803 1.00 0.00 C ATOM 577 C GLU A 35 -1.545 8.183 -7.168 1.00 0.00 C ATOM 578 O GLU A 35 -2.033 7.461 -8.026 1.00 0.00 O ATOM 579 CB GLU A 35 -1.614 10.672 -7.535 1.00 0.00 C ATOM 580 CG GLU A 35 -1.791 10.580 -9.056 1.00 0.00 C ATOM 581 CD GLU A 35 -0.477 10.801 -9.810 1.00 0.00 C ATOM 582 OE1 GLU A 35 0.247 11.762 -9.463 1.00 0.00 O ATOM 583 OE2 GLU A 35 -0.195 9.963 -10.694 1.00 0.00 O ATOM 0 H GLU A 35 -1.581 10.456 -5.068 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.300 9.392 -7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.051 11.604 -7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.551 10.706 -7.296 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.195 9.601 -9.314 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.522 11.321 -9.380 1.00 0.00 H new ATOM 590 N VAL A 36 -0.420 7.880 -6.518 1.00 0.00 N ATOM 591 CA VAL A 36 0.309 6.611 -6.759 1.00 0.00 C ATOM 592 C VAL A 36 -0.254 5.451 -5.909 1.00 0.00 C ATOM 593 O VAL A 36 -0.316 4.314 -6.366 1.00 0.00 O ATOM 594 CB VAL A 36 1.834 6.832 -6.672 1.00 0.00 C ATOM 595 CG1 VAL A 36 2.308 7.207 -5.275 1.00 0.00 C ATOM 596 CG2 VAL A 36 2.635 5.646 -7.219 1.00 0.00 C ATOM 0 H VAL A 36 0.013 8.486 -5.821 1.00 0.00 H new ATOM 0 HA VAL A 36 0.133 6.281 -7.783 1.00 0.00 H new ATOM 0 HB VAL A 36 2.031 7.689 -7.316 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.389 7.348 -5.283 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.824 8.132 -4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.051 6.410 -4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.701 5.856 -7.133 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.394 4.750 -6.647 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.380 5.487 -8.267 1.00 0.00 H new ATOM 606 N LEU A 37 -0.878 5.818 -4.790 1.00 0.00 N ATOM 607 CA LEU A 37 -1.607 4.907 -3.887 1.00 0.00 C ATOM 608 C LEU A 37 -3.061 4.642 -4.295 1.00 0.00 C ATOM 609 O LEU A 37 -3.608 3.591 -3.967 1.00 0.00 O ATOM 610 CB LEU A 37 -1.493 5.425 -2.445 1.00 0.00 C ATOM 611 CG LEU A 37 -0.546 4.630 -1.529 1.00 0.00 C ATOM 612 CD1 LEU A 37 -1.253 3.405 -0.951 1.00 0.00 C ATOM 613 CD2 LEU A 37 0.722 4.165 -2.242 1.00 0.00 C ATOM 0 H LEU A 37 -0.895 6.787 -4.471 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.132 3.929 -3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.156 6.461 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.487 5.426 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.257 5.316 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.565 2.858 -0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.118 3.725 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.581 2.757 -1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.349 3.610 -1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.453 3.521 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.270 5.032 -2.612 1.00 0.00 H new ATOM 625 N GLU A 38 -3.556 5.460 -5.223 1.00 0.00 N ATOM 626 CA GLU A 38 -4.877 5.272 -5.854 1.00 0.00 C ATOM 627 C GLU A 38 -4.886 3.963 -6.669 1.00 0.00 C ATOM 628 O GLU A 38 -5.608 3.043 -6.276 1.00 0.00 O ATOM 629 CB GLU A 38 -5.337 6.520 -6.642 1.00 0.00 C ATOM 630 CG GLU A 38 -6.215 6.219 -7.865 1.00 0.00 C ATOM 631 CD GLU A 38 -6.892 7.437 -8.478 1.00 0.00 C ATOM 632 OE1 GLU A 38 -6.170 8.322 -8.985 1.00 0.00 O ATOM 633 OE2 GLU A 38 -8.139 7.386 -8.504 1.00 0.00 O ATOM 0 H GLU A 38 -3.054 6.279 -5.566 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.632 5.163 -5.075 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.889 7.175 -5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.456 7.070 -6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.600 5.740 -8.627 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.982 5.501 -7.576 1.00 0.00 H new ATOM 640 N PRO A 39 -4.066 3.831 -7.729 1.00 0.00 N ATOM 641 CA PRO A 39 -4.064 2.610 -8.538 1.00 0.00 C ATOM 642 C PRO A 39 -3.449 1.453 -7.747 1.00 0.00 C ATOM 643 O PRO A 39 -3.927 0.342 -7.897 1.00 0.00 O ATOM 644 CB PRO A 39 -3.312 2.974 -9.818 1.00 0.00 C ATOM 645 CG PRO A 39 -2.278 3.993 -9.352 1.00 0.00 C ATOM 646 CD PRO A 39 -2.968 4.708 -8.192 1.00 0.00 C ATOM 0 HA PRO A 39 -5.062 2.257 -8.797 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -2.839 2.100 -10.267 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.980 3.396 -10.569 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.355 3.509 -9.032 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.013 4.687 -10.149 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.262 4.900 -7.384 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.357 5.675 -8.512 1.00 0.00 H new ATOM 654 N LEU A 40 -2.651 1.759 -6.724 1.00 0.00 N ATOM 655 CA LEU A 40 -2.106 0.742 -5.816 1.00 0.00 C ATOM 656 C LEU A 40 -3.150 0.067 -4.923 1.00 0.00 C ATOM 657 O LEU A 40 -3.014 -1.103 -4.611 1.00 0.00 O ATOM 658 CB LEU A 40 -0.995 1.357 -4.985 1.00 0.00 C ATOM 659 CG LEU A 40 0.347 1.096 -5.656 1.00 0.00 C ATOM 660 CD1 LEU A 40 1.355 2.052 -5.055 1.00 0.00 C ATOM 661 CD2 LEU A 40 0.817 -0.336 -5.407 1.00 0.00 C ATOM 0 H LEU A 40 -2.364 2.712 -6.500 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.714 -0.060 -6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.158 2.430 -4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.000 0.933 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 40 0.248 1.241 -6.732 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.330 1.890 -5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.035 3.078 -5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.428 1.877 -3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.777 -0.494 -5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.925 -0.502 -4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.084 -1.035 -5.810 1.00 0.00 H new ATOM 673 N HIS A 41 -4.223 0.786 -4.606 1.00 0.00 N ATOM 674 CA HIS A 41 -5.398 0.207 -3.929 1.00 0.00 C ATOM 675 C HIS A 41 -6.211 -0.694 -4.878 1.00 0.00 C ATOM 676 O HIS A 41 -6.426 -1.870 -4.598 1.00 0.00 O ATOM 677 CB HIS A 41 -6.205 1.373 -3.349 1.00 0.00 C ATOM 678 CG HIS A 41 -7.669 1.057 -3.014 1.00 0.00 C ATOM 679 ND1 HIS A 41 -8.170 -0.104 -2.599 1.00 0.00 N ATOM 680 CD2 HIS A 41 -8.684 1.844 -3.347 1.00 0.00 C ATOM 681 CE1 HIS A 41 -9.495 -0.037 -2.694 1.00 0.00 C ATOM 682 NE2 HIS A 41 -9.811 1.165 -3.156 1.00 0.00 N ATOM 0 H HIS A 41 -4.311 1.782 -4.806 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.098 -0.456 -3.117 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -5.709 1.721 -2.443 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -6.183 2.198 -4.061 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -8.608 2.858 -3.710 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -10.191 -0.823 -2.440 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -10.755 1.509 -3.334 1.00 0.00 H new ATOM 690 N ALA A 42 -6.426 -0.210 -6.103 1.00 0.00 N ATOM 691 CA ALA A 42 -7.226 -0.918 -7.125 1.00 0.00 C ATOM 692 C ALA A 42 -6.510 -2.158 -7.689 1.00 0.00 C ATOM 693 O ALA A 42 -7.054 -3.261 -7.652 1.00 0.00 O ATOM 694 CB ALA A 42 -7.612 0.054 -8.243 1.00 0.00 C ATOM 0 H ALA A 42 -6.053 0.684 -6.422 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.129 -1.287 -6.639 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.201 -0.471 -8.994 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.200 0.872 -7.827 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.709 0.454 -8.705 1.00 0.00 H new ATOM 700 N MET A 43 -5.219 -1.987 -7.964 1.00 0.00 N ATOM 701 CA MET A 43 -4.272 -3.050 -8.358 1.00 0.00 C ATOM 702 C MET A 43 -3.948 -4.028 -7.214 1.00 0.00 C ATOM 703 O MET A 43 -3.049 -4.844 -7.344 1.00 0.00 O ATOM 704 CB MET A 43 -2.970 -2.407 -8.842 1.00 0.00 C ATOM 705 CG MET A 43 -3.089 -1.704 -10.196 1.00 0.00 C ATOM 706 SD MET A 43 -1.849 -0.370 -10.385 1.00 0.00 S ATOM 707 CE MET A 43 -1.036 -0.877 -11.886 1.00 0.00 C ATOM 0 H MET A 43 -4.777 -1.069 -7.919 1.00 0.00 H new ATOM 0 HA MET A 43 -4.751 -3.626 -9.150 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.635 -1.685 -8.097 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.200 -3.176 -8.910 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.962 -2.433 -10.996 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.090 -1.286 -10.301 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.195 -0.213 -12.086 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.673 -1.899 -11.776 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.741 -0.830 -12.716 1.00 0.00 H new ATOM 717 N MET A 44 -4.491 -3.778 -6.025 1.00 0.00 N ATOM 718 CA MET A 44 -4.412 -4.739 -4.903 1.00 0.00 C ATOM 719 C MET A 44 -5.762 -5.318 -4.479 1.00 0.00 C ATOM 720 O MET A 44 -5.815 -6.320 -3.766 1.00 0.00 O ATOM 721 CB MET A 44 -3.748 -4.118 -3.678 1.00 0.00 C ATOM 722 CG MET A 44 -2.288 -3.831 -3.990 1.00 0.00 C ATOM 723 SD MET A 44 -1.233 -5.264 -4.368 1.00 0.00 S ATOM 724 CE MET A 44 -0.012 -4.270 -5.185 1.00 0.00 C ATOM 0 H MET A 44 -4.994 -2.919 -5.803 1.00 0.00 H new ATOM 0 HA MET A 44 -3.807 -5.558 -5.292 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.260 -3.197 -3.400 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.824 -4.794 -2.827 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.250 -3.148 -4.839 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.855 -3.306 -3.138 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.065 -4.574 -6.229 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.303 -3.221 -5.133 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.953 -4.404 -4.696 1.00 0.00 H new ATOM 734 N GLU A 45 -6.822 -4.625 -4.874 1.00 0.00 N ATOM 735 CA GLU A 45 -8.202 -5.005 -4.545 1.00 0.00 C ATOM 736 C GLU A 45 -8.822 -5.908 -5.620 1.00 0.00 C ATOM 737 O GLU A 45 -9.546 -6.833 -5.263 1.00 0.00 O ATOM 738 CB GLU A 45 -9.063 -3.756 -4.373 1.00 0.00 C ATOM 739 CG GLU A 45 -10.352 -4.128 -3.635 1.00 0.00 C ATOM 740 CD GLU A 45 -11.514 -3.216 -4.019 1.00 0.00 C ATOM 741 OE1 GLU A 45 -11.768 -3.081 -5.236 1.00 0.00 O ATOM 742 OE2 GLU A 45 -12.128 -2.670 -3.078 1.00 0.00 O ATOM 0 H GLU A 45 -6.755 -3.776 -5.436 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.169 -5.567 -3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.516 -2.997 -3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.299 -3.326 -5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.613 -5.162 -3.860 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.184 -4.068 -2.560 1.00 0.00 H new ATOM 749 N ARG A 46 -8.503 -5.641 -6.891 1.00 0.00 N ATOM 750 CA ARG A 46 -8.970 -6.440 -8.046 1.00 0.00 C ATOM 751 C ARG A 46 -8.813 -7.956 -7.820 1.00 0.00 C ATOM 752 O ARG A 46 -9.650 -8.748 -8.244 1.00 0.00 O ATOM 753 CB ARG A 46 -8.177 -5.978 -9.273 1.00 0.00 C ATOM 754 CG ARG A 46 -8.963 -6.208 -10.563 1.00 0.00 C ATOM 755 CD ARG A 46 -8.261 -5.540 -11.748 1.00 0.00 C ATOM 756 NE ARG A 46 -8.982 -5.840 -12.997 1.00 0.00 N ATOM 757 CZ ARG A 46 -10.120 -5.289 -13.442 1.00 0.00 C ATOM 758 NH1 ARG A 46 -10.751 -4.325 -12.781 1.00 0.00 N ATOM 759 NH2 ARG A 46 -10.642 -5.704 -14.583 1.00 0.00 N ATOM 0 H ARG A 46 -7.907 -4.857 -7.157 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.038 -6.277 -8.190 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.937 -4.919 -9.175 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.231 -6.517 -9.321 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.063 -7.277 -10.748 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.971 -5.807 -10.457 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.217 -4.462 -11.594 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.233 -5.894 -11.818 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.565 -6.553 -13.595 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.371 -3.978 -11.900 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.615 -3.932 -13.154 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.179 -6.439 -15.118 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.508 -5.290 -14.928 1.00 0.00 H new ATOM 773 N GLY A 47 -7.759 -8.301 -7.064 1.00 0.00 N ATOM 774 CA GLY A 47 -7.549 -9.672 -6.583 1.00 0.00 C ATOM 775 C GLY A 47 -6.289 -10.285 -7.207 1.00 0.00 C ATOM 776 O GLY A 47 -5.881 -9.859 -8.291 1.00 0.00 O ATOM 0 H GLY A 47 -7.036 -7.643 -6.772 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.458 -9.670 -5.497 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.416 -10.285 -6.829 1.00 0.00 H new ATOM 780 N PRO A 48 -5.628 -11.206 -6.496 1.00 0.00 N ATOM 781 CA PRO A 48 -4.459 -11.908 -7.046 1.00 0.00 C ATOM 782 C PRO A 48 -4.877 -12.830 -8.205 1.00 0.00 C ATOM 783 O PRO A 48 -5.970 -12.723 -8.755 1.00 0.00 O ATOM 784 CB PRO A 48 -3.856 -12.638 -5.842 1.00 0.00 C ATOM 785 CG PRO A 48 -5.052 -12.914 -4.934 1.00 0.00 C ATOM 786 CD PRO A 48 -5.935 -11.682 -5.129 1.00 0.00 C ATOM 0 HA PRO A 48 -3.717 -11.248 -7.495 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.363 -13.562 -6.143 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.107 -12.026 -5.339 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -5.570 -13.829 -5.219 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.748 -13.030 -3.894 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.991 -11.932 -5.026 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.715 -10.916 -4.385 1.00 0.00 H new ATOM 794 N GLN A 49 -3.929 -13.646 -8.635 1.00 0.00 N ATOM 795 CA GLN A 49 -4.112 -14.571 -9.773 1.00 0.00 C ATOM 796 C GLN A 49 -3.483 -15.942 -9.487 1.00 0.00 C ATOM 797 O GLN A 49 -4.126 -16.763 -8.841 1.00 0.00 O ATOM 798 CB GLN A 49 -3.654 -13.921 -11.093 1.00 0.00 C ATOM 799 CG GLN A 49 -2.385 -13.072 -10.934 1.00 0.00 C ATOM 800 CD GLN A 49 -1.317 -13.348 -11.983 1.00 0.00 C ATOM 801 OE1 GLN A 49 -1.057 -14.478 -12.387 1.00 0.00 O ATOM 802 NE2 GLN A 49 -0.537 -12.332 -12.253 1.00 0.00 N ATOM 0 H GLN A 49 -3.002 -13.696 -8.212 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.176 -14.769 -9.901 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.472 -14.701 -11.832 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.457 -13.295 -11.481 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.658 -12.018 -10.978 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.963 -13.251 -9.945 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.773 -11.402 -11.907 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.307 -12.470 -12.810 1.00 0.00 H new ATOM 811 N THR A 50 -2.198 -16.082 -9.826 1.00 0.00 N ATOM 812 CA THR A 50 -1.352 -17.259 -9.521 1.00 0.00 C ATOM 813 C THR A 50 -1.426 -17.668 -8.034 1.00 0.00 C ATOM 814 O THR A 50 -2.345 -18.374 -7.630 1.00 0.00 O ATOM 815 CB THR A 50 0.095 -17.076 -10.067 1.00 0.00 C ATOM 816 OG1 THR A 50 0.984 -18.046 -9.505 1.00 0.00 O ATOM 817 CG2 THR A 50 0.704 -15.679 -9.880 1.00 0.00 C ATOM 0 H THR A 50 -1.693 -15.359 -10.338 1.00 0.00 H new ATOM 0 HA THR A 50 -1.762 -18.114 -10.058 1.00 0.00 H new ATOM 0 HB THR A 50 -0.015 -17.218 -11.142 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.885 -17.911 -9.865 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.712 -15.663 -10.295 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.088 -14.942 -10.394 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.746 -15.439 -8.817 1.00 0.00 H new ATOM 825 N LEU A 51 -0.480 -17.162 -7.247 1.00 0.00 N ATOM 826 CA LEU A 51 -0.294 -17.417 -5.801 1.00 0.00 C ATOM 827 C LEU A 51 1.019 -16.801 -5.283 1.00 0.00 C ATOM 828 O LEU A 51 1.752 -17.368 -4.477 1.00 0.00 O ATOM 829 CB LEU A 51 -0.313 -18.927 -5.519 1.00 0.00 C ATOM 830 CG LEU A 51 -1.383 -19.257 -4.480 1.00 0.00 C ATOM 831 CD1 LEU A 51 -1.971 -20.639 -4.770 1.00 0.00 C ATOM 832 CD2 LEU A 51 -0.782 -19.231 -3.073 1.00 0.00 C ATOM 0 H LEU A 51 0.225 -16.523 -7.613 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.120 -16.942 -5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.510 -19.474 -6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.664 -19.249 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.174 -18.509 -4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.734 -20.873 -4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.418 -20.643 -5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.180 -21.388 -4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.556 -19.468 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.019 -19.968 -3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.380 -18.239 -2.867 1.00 0.00 H new ATOM 844 N LYS A 52 1.350 -15.645 -5.850 1.00 0.00 N ATOM 845 CA LYS A 52 2.569 -14.916 -5.462 1.00 0.00 C ATOM 846 C LYS A 52 2.237 -13.552 -4.838 1.00 0.00 C ATOM 847 O LYS A 52 2.800 -13.153 -3.822 1.00 0.00 O ATOM 848 CB LYS A 52 3.500 -14.788 -6.670 1.00 0.00 C ATOM 849 CG LYS A 52 3.947 -16.140 -7.238 1.00 0.00 C ATOM 850 CD LYS A 52 5.340 -16.081 -7.870 1.00 0.00 C ATOM 851 CE LYS A 52 6.421 -15.876 -6.804 1.00 0.00 C ATOM 852 NZ LYS A 52 7.464 -16.904 -6.901 1.00 0.00 N ATOM 0 H LYS A 52 0.799 -15.189 -6.577 1.00 0.00 H new ATOM 0 HA LYS A 52 3.089 -15.484 -4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.993 -14.223 -7.452 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.381 -14.214 -6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.945 -16.883 -6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.227 -16.472 -7.986 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.534 -17.004 -8.416 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.380 -15.267 -8.594 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.868 -14.889 -6.921 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.968 -15.906 -5.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.182 -16.740 -6.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.039 -17.844 -6.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.911 -16.858 -7.839 1.00 0.00 H new ATOM 866 N GLU A 53 1.275 -12.860 -5.447 1.00 0.00 N ATOM 867 CA GLU A 53 0.760 -11.572 -4.938 1.00 0.00 C ATOM 868 C GLU A 53 -0.248 -11.705 -3.781 1.00 0.00 C ATOM 869 O GLU A 53 -1.333 -11.130 -3.834 1.00 0.00 O ATOM 870 CB GLU A 53 0.234 -10.690 -6.086 1.00 0.00 C ATOM 871 CG GLU A 53 -0.858 -11.268 -6.990 1.00 0.00 C ATOM 872 CD GLU A 53 -0.303 -11.760 -8.324 1.00 0.00 C ATOM 873 OE1 GLU A 53 -0.162 -10.921 -9.236 1.00 0.00 O ATOM 874 OE2 GLU A 53 0.013 -12.971 -8.374 1.00 0.00 O ATOM 0 H GLU A 53 0.825 -13.170 -6.308 1.00 0.00 H new ATOM 0 HA GLU A 53 1.614 -11.063 -4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.147 -9.766 -5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.082 -10.420 -6.716 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.352 -12.094 -6.478 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.616 -10.507 -7.173 1.00 0.00 H new ATOM 881 N THR A 54 0.272 -12.234 -2.672 1.00 0.00 N ATOM 882 CA THR A 54 -0.483 -12.562 -1.433 1.00 0.00 C ATOM 883 C THR A 54 0.493 -12.801 -0.256 1.00 0.00 C ATOM 884 O THR A 54 0.508 -13.831 0.411 1.00 0.00 O ATOM 885 CB THR A 54 -1.478 -13.730 -1.696 1.00 0.00 C ATOM 886 OG1 THR A 54 -2.493 -13.268 -2.592 1.00 0.00 O ATOM 887 CG2 THR A 54 -2.216 -14.308 -0.482 1.00 0.00 C ATOM 0 H THR A 54 1.264 -12.459 -2.596 1.00 0.00 H new ATOM 0 HA THR A 54 -1.101 -11.715 -1.134 1.00 0.00 H new ATOM 0 HB THR A 54 -0.845 -14.530 -2.080 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.128 -13.993 -2.769 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.876 -15.113 -0.806 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.491 -14.698 0.232 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.806 -13.524 -0.008 1.00 0.00 H new ATOM 895 N SER A 55 1.371 -11.821 -0.033 1.00 0.00 N ATOM 896 CA SER A 55 2.287 -11.842 1.135 1.00 0.00 C ATOM 897 C SER A 55 1.737 -10.993 2.286 1.00 0.00 C ATOM 898 O SER A 55 1.544 -11.472 3.403 1.00 0.00 O ATOM 899 CB SER A 55 3.704 -11.358 0.799 1.00 0.00 C ATOM 900 OG SER A 55 4.294 -12.206 -0.186 1.00 0.00 O ATOM 0 H SER A 55 1.476 -11.004 -0.634 1.00 0.00 H new ATOM 0 HA SER A 55 2.349 -12.888 1.436 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.668 -10.332 0.432 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.318 -11.353 1.700 1.00 0.00 H new ATOM 0 HG SER A 55 5.197 -11.887 -0.394 1.00 0.00 H new ATOM 906 N PHE A 56 1.301 -9.786 1.928 1.00 0.00 N ATOM 907 CA PHE A 56 0.627 -8.874 2.864 1.00 0.00 C ATOM 908 C PHE A 56 -0.780 -9.380 3.213 1.00 0.00 C ATOM 909 O PHE A 56 -1.100 -9.528 4.372 1.00 0.00 O ATOM 910 CB PHE A 56 0.576 -7.438 2.322 1.00 0.00 C ATOM 911 CG PHE A 56 -0.407 -7.243 1.176 1.00 0.00 C ATOM 912 CD1 PHE A 56 -0.006 -7.448 -0.139 1.00 0.00 C ATOM 913 CD2 PHE A 56 -1.747 -6.981 1.472 1.00 0.00 C ATOM 914 CE1 PHE A 56 -0.938 -7.385 -1.157 1.00 0.00 C ATOM 915 CE2 PHE A 56 -2.677 -6.931 0.454 1.00 0.00 C ATOM 916 CZ PHE A 56 -2.279 -7.124 -0.865 1.00 0.00 C ATOM 0 H PHE A 56 1.402 -9.410 0.985 1.00 0.00 H new ATOM 0 HA PHE A 56 1.217 -8.856 3.780 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.309 -6.763 3.135 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.572 -7.152 1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.030 -7.656 -0.364 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.054 -6.818 2.495 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.629 -7.538 -2.181 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.716 -6.742 0.681 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.006 -7.072 -1.662 1.00 0.00 H new ATOM 926 N ASN A 57 -1.549 -9.806 2.211 1.00 0.00 N ATOM 927 CA ASN A 57 -2.909 -10.320 2.457 1.00 0.00 C ATOM 928 C ASN A 57 -2.939 -11.635 3.253 1.00 0.00 C ATOM 929 O ASN A 57 -3.990 -12.078 3.705 1.00 0.00 O ATOM 930 CB ASN A 57 -3.641 -10.473 1.125 1.00 0.00 C ATOM 931 CG ASN A 57 -5.087 -9.987 1.246 1.00 0.00 C ATOM 932 OD1 ASN A 57 -5.657 -9.814 2.314 1.00 0.00 O ATOM 933 ND2 ASN A 57 -5.680 -9.670 0.121 1.00 0.00 N ATOM 0 H ASN A 57 -1.264 -9.809 1.231 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.419 -9.589 3.084 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.124 -9.904 0.352 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.628 -11.518 0.814 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.621 -9.277 0.134 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.200 -9.816 -0.767 1.00 0.00 H new ATOM 940 N GLN A 58 -1.768 -12.261 3.359 1.00 0.00 N ATOM 941 CA GLN A 58 -1.582 -13.505 4.117 1.00 0.00 C ATOM 942 C GLN A 58 -1.459 -13.263 5.636 1.00 0.00 C ATOM 943 O GLN A 58 -2.157 -13.881 6.431 1.00 0.00 O ATOM 944 CB GLN A 58 -0.344 -14.228 3.574 1.00 0.00 C ATOM 945 CG GLN A 58 -0.550 -15.745 3.514 1.00 0.00 C ATOM 946 CD GLN A 58 -0.976 -16.319 4.867 1.00 0.00 C ATOM 947 OE1 GLN A 58 -2.149 -16.461 5.180 1.00 0.00 O ATOM 948 NE2 GLN A 58 -0.021 -16.643 5.705 1.00 0.00 N ATOM 0 H GLN A 58 -0.913 -11.920 2.919 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.468 -14.125 3.984 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.113 -13.853 2.577 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.515 -14.003 4.206 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.308 -15.979 2.766 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.375 -16.224 3.192 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.956 -16.522 5.437 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.255 -17.016 6.625 1.00 0.00 H new ATOM 957 N ALA A 59 -0.628 -12.294 6.019 1.00 0.00 N ATOM 958 CA ALA A 59 -0.385 -11.981 7.446 1.00 0.00 C ATOM 959 C ALA A 59 -0.800 -10.552 7.830 1.00 0.00 C ATOM 960 O ALA A 59 -1.593 -10.328 8.747 1.00 0.00 O ATOM 961 CB ALA A 59 1.090 -12.222 7.782 1.00 0.00 C ATOM 0 H ALA A 59 -0.107 -11.706 5.368 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.014 -12.649 8.034 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.266 -11.991 8.833 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.340 -13.266 7.593 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.714 -11.581 7.160 1.00 0.00 H new ATOM 967 N TYR A 60 -0.457 -9.630 6.948 1.00 0.00 N ATOM 968 CA TYR A 60 -0.738 -8.182 7.020 1.00 0.00 C ATOM 969 C TYR A 60 -2.150 -7.871 6.466 1.00 0.00 C ATOM 970 O TYR A 60 -2.382 -6.859 5.799 1.00 0.00 O ATOM 971 CB TYR A 60 0.352 -7.452 6.210 1.00 0.00 C ATOM 972 CG TYR A 60 1.796 -7.944 6.356 1.00 0.00 C ATOM 973 CD1 TYR A 60 2.229 -8.674 7.464 1.00 0.00 C ATOM 974 CD2 TYR A 60 2.682 -7.736 5.306 1.00 0.00 C ATOM 975 CE1 TYR A 60 3.503 -9.195 7.509 1.00 0.00 C ATOM 976 CE2 TYR A 60 3.966 -8.244 5.345 1.00 0.00 C ATOM 977 CZ TYR A 60 4.377 -8.989 6.445 1.00 0.00 C ATOM 978 OH TYR A 60 5.629 -9.485 6.489 1.00 0.00 O ATOM 0 H TYR A 60 0.059 -9.875 6.103 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.722 -7.842 8.055 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.082 -7.511 5.155 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.327 -6.398 6.487 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.558 -8.832 8.295 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.362 -7.168 4.445 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.824 -9.763 8.369 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.647 -8.064 4.526 1.00 0.00 H new ATOM 0 HH TYR A 60 6.103 -9.250 5.664 1.00 0.00 H new ATOM 988 N GLY A 61 -3.098 -8.757 6.812 1.00 0.00 N ATOM 989 CA GLY A 61 -4.533 -8.631 6.471 1.00 0.00 C ATOM 990 C GLY A 61 -5.173 -7.367 7.074 1.00 0.00 C ATOM 991 O GLY A 61 -6.031 -6.729 6.476 1.00 0.00 O ATOM 0 H GLY A 61 -2.889 -9.600 7.347 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.645 -8.609 5.387 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.067 -9.511 6.829 1.00 0.00 H new ATOM 995 N ARG A 62 -4.651 -6.953 8.226 1.00 0.00 N ATOM 996 CA ARG A 62 -5.043 -5.680 8.866 1.00 0.00 C ATOM 997 C ARG A 62 -4.195 -4.478 8.441 1.00 0.00 C ATOM 998 O ARG A 62 -4.557 -3.334 8.703 1.00 0.00 O ATOM 999 CB ARG A 62 -5.029 -5.812 10.386 1.00 0.00 C ATOM 1000 CG ARG A 62 -6.268 -6.585 10.816 1.00 0.00 C ATOM 1001 CD ARG A 62 -6.100 -7.083 12.243 1.00 0.00 C ATOM 1002 NE ARG A 62 -6.825 -8.358 12.328 1.00 0.00 N ATOM 1003 CZ ARG A 62 -6.812 -9.202 13.361 1.00 0.00 C ATOM 1004 NH1 ARG A 62 -6.119 -8.947 14.461 1.00 0.00 N ATOM 1005 NH2 ARG A 62 -7.494 -10.333 13.293 1.00 0.00 N ATOM 0 H ARG A 62 -3.949 -7.479 8.746 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.056 -5.481 8.517 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.127 -6.330 10.713 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.017 -4.826 10.852 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.148 -5.946 10.746 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.432 -7.428 10.145 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.046 -7.219 12.485 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.500 -6.361 12.955 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.391 -8.623 11.522 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.576 -8.086 14.534 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.128 -9.611 15.235 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.027 -10.557 12.453 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.487 -10.981 14.081 1.00 0.00 H new ATOM 1019 N ASP A 63 -3.145 -4.761 7.674 1.00 0.00 N ATOM 1020 CA ASP A 63 -2.235 -3.719 7.177 1.00 0.00 C ATOM 1021 C ASP A 63 -2.823 -3.186 5.856 1.00 0.00 C ATOM 1022 O ASP A 63 -4.016 -2.922 5.840 1.00 0.00 O ATOM 1023 CB ASP A 63 -0.840 -4.336 7.088 1.00 0.00 C ATOM 1024 CG ASP A 63 0.220 -3.245 7.011 1.00 0.00 C ATOM 1025 OD1 ASP A 63 0.382 -2.737 5.883 1.00 0.00 O ATOM 1026 OD2 ASP A 63 0.781 -2.910 8.070 1.00 0.00 O ATOM 0 H ASP A 63 -2.898 -5.706 7.379 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.136 -2.852 7.830 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.659 -4.967 7.958 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.775 -4.978 6.209 1.00 0.00 H new ATOM 1031 N LEU A 64 -2.022 -2.928 4.822 1.00 0.00 N ATOM 1032 CA LEU A 64 -2.427 -2.484 3.473 1.00 0.00 C ATOM 1033 C LEU A 64 -3.872 -2.723 3.039 1.00 0.00 C ATOM 1034 O LEU A 64 -4.608 -1.769 2.838 1.00 0.00 O ATOM 1035 CB LEU A 64 -1.457 -3.017 2.424 1.00 0.00 C ATOM 1036 CG LEU A 64 -0.481 -1.909 2.031 1.00 0.00 C ATOM 1037 CD1 LEU A 64 0.676 -2.513 1.242 1.00 0.00 C ATOM 1038 CD2 LEU A 64 -1.199 -0.818 1.226 1.00 0.00 C ATOM 0 H LEU A 64 -1.010 -3.027 4.901 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.379 -1.398 3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.912 -3.875 2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.005 -3.363 1.547 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.082 -1.439 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.374 -1.725 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.190 -3.251 1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.291 -2.995 0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.488 -0.038 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.622 -1.253 0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.998 -0.387 1.829 1.00 0.00 H new ATOM 1050 N MET A 65 -4.300 -3.973 3.193 1.00 0.00 N ATOM 1051 CA MET A 65 -5.705 -4.391 3.055 1.00 0.00 C ATOM 1052 C MET A 65 -6.705 -3.414 3.709 1.00 0.00 C ATOM 1053 O MET A 65 -7.388 -2.675 3.001 1.00 0.00 O ATOM 1054 CB MET A 65 -5.784 -5.767 3.698 1.00 0.00 C ATOM 1055 CG MET A 65 -6.263 -6.816 2.707 1.00 0.00 C ATOM 1056 SD MET A 65 -7.704 -7.736 3.352 1.00 0.00 S ATOM 1057 CE MET A 65 -9.005 -6.633 2.846 1.00 0.00 C ATOM 0 H MET A 65 -3.673 -4.744 3.422 1.00 0.00 H new ATOM 0 HA MET A 65 -5.990 -4.405 2.003 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.803 -6.048 4.082 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.462 -5.733 4.551 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.529 -6.335 1.766 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.452 -7.512 2.492 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.960 -7.001 3.220 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.816 -5.638 3.250 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.037 -6.583 1.758 1.00 0.00 H new ATOM 1067 N GLU A 66 -6.576 -3.215 5.021 1.00 0.00 N ATOM 1068 CA GLU A 66 -7.344 -2.203 5.772 1.00 0.00 C ATOM 1069 C GLU A 66 -6.799 -0.769 5.645 1.00 0.00 C ATOM 1070 O GLU A 66 -7.590 0.143 5.432 1.00 0.00 O ATOM 1071 CB GLU A 66 -7.530 -2.612 7.236 1.00 0.00 C ATOM 1072 CG GLU A 66 -8.872 -3.325 7.438 1.00 0.00 C ATOM 1073 CD GLU A 66 -8.881 -4.777 6.951 1.00 0.00 C ATOM 1074 OE1 GLU A 66 -8.970 -4.970 5.718 1.00 0.00 O ATOM 1075 OE2 GLU A 66 -8.891 -5.654 7.840 1.00 0.00 O ATOM 0 H GLU A 66 -5.933 -3.752 5.603 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.325 -2.175 5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.715 -3.269 7.541 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.483 -1.729 7.873 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.127 -3.306 8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.650 -2.771 6.913 1.00 0.00 H new ATOM 1082 N ALA A 67 -5.491 -0.642 5.428 1.00 0.00 N ATOM 1083 CA ALA A 67 -4.816 0.660 5.216 1.00 0.00 C ATOM 1084 C ALA A 67 -5.322 1.393 3.958 1.00 0.00 C ATOM 1085 O ALA A 67 -5.217 2.613 3.860 1.00 0.00 O ATOM 1086 CB ALA A 67 -3.297 0.476 5.151 1.00 0.00 C ATOM 0 H ALA A 67 -4.856 -1.439 5.392 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.065 1.286 6.073 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.820 1.443 4.995 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.943 0.043 6.087 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.046 -0.190 4.325 1.00 0.00 H new ATOM 1092 N GLN A 68 -5.883 0.618 3.026 1.00 0.00 N ATOM 1093 CA GLN A 68 -6.541 1.111 1.805 1.00 0.00 C ATOM 1094 C GLN A 68 -8.069 0.959 1.889 1.00 0.00 C ATOM 1095 O GLN A 68 -8.769 1.748 1.284 1.00 0.00 O ATOM 1096 CB GLN A 68 -5.998 0.383 0.562 1.00 0.00 C ATOM 1097 CG GLN A 68 -6.610 -1.012 0.365 1.00 0.00 C ATOM 1098 CD GLN A 68 -5.902 -1.935 -0.612 1.00 0.00 C ATOM 1099 OE1 GLN A 68 -4.681 -2.012 -0.697 1.00 0.00 O ATOM 1100 NE2 GLN A 68 -6.683 -2.775 -1.247 1.00 0.00 N ATOM 0 H GLN A 68 -5.894 -0.399 3.099 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.314 2.173 1.715 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.197 0.989 -0.322 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -4.915 0.289 0.647 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.647 -1.507 1.335 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.640 -0.888 0.031 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.696 -2.693 -1.162 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.277 -3.511 -1.826 1.00 0.00 H new ATOM 1109 N GLU A 69 -8.585 -0.102 2.523 1.00 0.00 N ATOM 1110 CA GLU A 69 -10.041 -0.319 2.670 1.00 0.00 C ATOM 1111 C GLU A 69 -10.730 0.848 3.398 1.00 0.00 C ATOM 1112 O GLU A 69 -11.911 1.119 3.190 1.00 0.00 O ATOM 1113 CB GLU A 69 -10.284 -1.635 3.408 1.00 0.00 C ATOM 1114 CG GLU A 69 -11.518 -2.359 2.860 1.00 0.00 C ATOM 1115 CD GLU A 69 -12.602 -2.617 3.913 1.00 0.00 C ATOM 1116 OE1 GLU A 69 -12.253 -2.725 5.112 1.00 0.00 O ATOM 1117 OE2 GLU A 69 -13.769 -2.740 3.484 1.00 0.00 O ATOM 0 H GLU A 69 -8.014 -0.833 2.948 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.480 -0.370 1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.409 -2.277 3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.417 -1.439 4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.945 -1.768 2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.208 -3.312 2.430 1.00 0.00 H new ATOM 1124 N TRP A 70 -9.925 1.578 4.167 1.00 0.00 N ATOM 1125 CA TRP A 70 -10.320 2.850 4.793 1.00 0.00 C ATOM 1126 C TRP A 70 -10.346 4.009 3.779 1.00 0.00 C ATOM 1127 O TRP A 70 -10.638 5.135 4.158 1.00 0.00 O ATOM 1128 CB TRP A 70 -9.363 3.180 5.946 1.00 0.00 C ATOM 1129 CG TRP A 70 -9.188 2.066 6.997 1.00 0.00 C ATOM 1130 CD1 TRP A 70 -9.844 0.902 7.077 1.00 0.00 C ATOM 1131 CD2 TRP A 70 -8.138 2.008 7.888 1.00 0.00 C ATOM 1132 NE1 TRP A 70 -9.248 0.125 7.976 1.00 0.00 N ATOM 1133 CE2 TRP A 70 -8.211 0.749 8.503 1.00 0.00 C ATOM 1134 CE3 TRP A 70 -7.149 2.902 8.263 1.00 0.00 C ATOM 1135 CZ2 TRP A 70 -7.296 0.413 9.485 1.00 0.00 C ATOM 1136 CZ3 TRP A 70 -6.270 2.582 9.285 1.00 0.00 C ATOM 1137 CH2 TRP A 70 -6.342 1.329 9.899 1.00 0.00 C ATOM 0 H TRP A 70 -8.966 1.304 4.379 1.00 0.00 H new ATOM 0 HA TRP A 70 -11.333 2.730 5.178 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.385 3.419 5.528 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -9.722 4.078 6.449 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -10.719 0.636 6.502 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -9.549 -0.818 8.223 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -7.063 3.852 7.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -7.325 -0.570 9.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -5.530 3.300 9.607 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -5.656 1.075 10.694 1.00 0.00 H new ATOM 1148 N CYS A 71 -10.134 3.732 2.491 1.00 0.00 N ATOM 1149 CA CYS A 71 -10.288 4.691 1.375 1.00 0.00 C ATOM 1150 C CYS A 71 -11.663 5.358 1.386 1.00 0.00 C ATOM 1151 O CYS A 71 -11.722 6.572 1.482 1.00 0.00 O ATOM 1152 CB CYS A 71 -10.093 4.018 0.010 1.00 0.00 C ATOM 1153 SG CYS A 71 -11.173 2.558 -0.255 1.00 0.00 S ATOM 0 H CYS A 71 -9.841 2.807 2.177 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.514 5.444 1.523 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -10.285 4.748 -0.776 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -9.052 3.711 -0.088 1.00 0.00 H new ATOM 0 HG CYS A 71 -10.788 1.921 -1.321 1.00 0.00 H new ATOM 1159 N ARG A 72 -12.709 4.558 1.584 1.00 0.00 N ATOM 1160 CA ARG A 72 -14.088 5.067 1.747 1.00 0.00 C ATOM 1161 C ARG A 72 -14.224 6.054 2.929 1.00 0.00 C ATOM 1162 O ARG A 72 -14.947 7.048 2.839 1.00 0.00 O ATOM 1163 CB ARG A 72 -15.039 3.881 1.922 1.00 0.00 C ATOM 1164 CG ARG A 72 -16.465 4.337 1.615 1.00 0.00 C ATOM 1165 CD ARG A 72 -17.506 3.291 2.009 1.00 0.00 C ATOM 1166 NE ARG A 72 -18.843 3.789 1.637 1.00 0.00 N ATOM 1167 CZ ARG A 72 -19.355 3.860 0.402 1.00 0.00 C ATOM 1168 NH1 ARG A 72 -18.679 3.452 -0.665 1.00 0.00 N ATOM 1169 NH2 ARG A 72 -20.571 4.346 0.218 1.00 0.00 N ATOM 0 H ARG A 72 -12.635 3.542 1.637 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.348 5.628 0.850 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.752 3.067 1.256 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.978 3.496 2.940 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.669 5.267 2.146 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.554 4.552 0.550 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.301 2.346 1.505 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -17.460 3.097 3.081 1.00 0.00 H new ATOM 0 HE ARG A 72 -19.439 4.113 2.399 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -17.739 3.070 -0.558 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.099 3.520 -1.592 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.118 4.667 1.017 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.962 4.400 -0.723 1.00 0.00 H new ATOM 1183 N LYS A 73 -13.362 5.870 3.929 1.00 0.00 N ATOM 1184 CA LYS A 73 -13.254 6.753 5.105 1.00 0.00 C ATOM 1185 C LYS A 73 -12.365 7.964 4.759 1.00 0.00 C ATOM 1186 O LYS A 73 -12.876 9.069 4.713 1.00 0.00 O ATOM 1187 CB LYS A 73 -12.687 5.970 6.297 1.00 0.00 C ATOM 1188 CG LYS A 73 -12.790 6.729 7.622 1.00 0.00 C ATOM 1189 CD LYS A 73 -14.049 6.330 8.396 1.00 0.00 C ATOM 1190 CE LYS A 73 -14.950 7.528 8.694 1.00 0.00 C ATOM 1191 NZ LYS A 73 -16.048 7.137 9.588 1.00 0.00 N ATOM 0 H LYS A 73 -12.704 5.091 3.951 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.242 7.119 5.383 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.218 5.022 6.386 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.641 5.732 6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.908 6.526 8.229 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.804 7.802 7.429 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.608 5.592 7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.761 5.853 9.333 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.365 8.325 9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.355 7.926 7.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.650 7.963 9.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.616 6.392 9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.657 6.779 10.482 1.00 0.00 H new ATOM 1205 N TYR A 74 -11.160 7.742 4.237 1.00 0.00 N ATOM 1206 CA TYR A 74 -10.233 8.811 3.801 1.00 0.00 C ATOM 1207 C TYR A 74 -10.832 9.715 2.696 1.00 0.00 C ATOM 1208 O TYR A 74 -10.378 10.832 2.477 1.00 0.00 O ATOM 1209 CB TYR A 74 -8.920 8.151 3.354 1.00 0.00 C ATOM 1210 CG TYR A 74 -7.845 9.170 2.979 1.00 0.00 C ATOM 1211 CD1 TYR A 74 -7.861 9.737 1.710 1.00 0.00 C ATOM 1212 CD2 TYR A 74 -6.871 9.578 3.886 1.00 0.00 C ATOM 1213 CE1 TYR A 74 -6.931 10.682 1.337 1.00 0.00 C ATOM 1214 CE2 TYR A 74 -5.934 10.529 3.519 1.00 0.00 C ATOM 1215 CZ TYR A 74 -5.952 11.076 2.241 1.00 0.00 C ATOM 1216 OH TYR A 74 -4.990 11.935 1.837 1.00 0.00 O ATOM 0 H TYR A 74 -10.785 6.804 4.099 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.046 9.482 4.640 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.547 7.514 4.156 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.116 7.504 2.499 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.617 9.431 1.003 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.846 9.152 4.878 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.962 11.114 0.348 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.185 10.848 4.229 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.599 12.379 2.618 1.00 0.00 H new ATOM 1226 N MET A 75 -11.825 9.197 1.985 1.00 0.00 N ATOM 1227 CA MET A 75 -12.585 9.885 0.926 1.00 0.00 C ATOM 1228 C MET A 75 -13.626 10.868 1.479 1.00 0.00 C ATOM 1229 O MET A 75 -13.527 12.066 1.239 1.00 0.00 O ATOM 1230 CB MET A 75 -13.238 8.829 0.031 1.00 0.00 C ATOM 1231 CG MET A 75 -12.501 8.733 -1.303 1.00 0.00 C ATOM 1232 SD MET A 75 -13.446 9.535 -2.648 1.00 0.00 S ATOM 1233 CE MET A 75 -14.201 8.089 -3.357 1.00 0.00 C ATOM 0 H MET A 75 -12.145 8.240 2.131 1.00 0.00 H new ATOM 0 HA MET A 75 -11.892 10.493 0.345 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.225 7.861 0.531 1.00 0.00 H new ATOM 0 HB3 MET A 75 -14.283 9.085 -0.141 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.522 9.203 -1.214 1.00 0.00 H new ATOM 0 HG3 MET A 75 -12.330 7.685 -1.551 1.00 0.00 H new ATOM 0 HE1 MET A 75 -14.824 8.381 -4.202 1.00 0.00 H new ATOM 0 HE2 MET A 75 -13.425 7.403 -3.698 1.00 0.00 H new ATOM 0 HE3 MET A 75 -14.817 7.595 -2.606 1.00 0.00 H new ATOM 1243 N LYS A 76 -14.605 10.331 2.210 1.00 0.00 N ATOM 1244 CA LYS A 76 -15.675 11.133 2.839 1.00 0.00 C ATOM 1245 C LYS A 76 -15.255 11.843 4.135 1.00 0.00 C ATOM 1246 O LYS A 76 -15.466 13.043 4.291 1.00 0.00 O ATOM 1247 CB LYS A 76 -16.905 10.243 3.049 1.00 0.00 C ATOM 1248 CG LYS A 76 -17.874 10.371 1.870 1.00 0.00 C ATOM 1249 CD LYS A 76 -18.915 11.454 2.172 1.00 0.00 C ATOM 1250 CE LYS A 76 -19.458 12.124 0.906 1.00 0.00 C ATOM 1251 NZ LYS A 76 -20.814 11.690 0.536 1.00 0.00 N ATOM 0 H LYS A 76 -14.685 9.330 2.387 1.00 0.00 H new ATOM 0 HA LYS A 76 -15.915 11.947 2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.594 9.204 3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.410 10.524 3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -17.326 10.623 0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -18.369 9.417 1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.742 11.012 2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.468 12.212 2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -19.460 13.204 1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -18.781 11.915 0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.113 12.185 -0.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.816 10.664 0.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -21.473 11.914 1.309 1.00 0.00 H new ATOM 1265 N SER A 77 -14.547 11.113 4.989 1.00 0.00 N ATOM 1266 CA SER A 77 -14.001 11.647 6.254 1.00 0.00 C ATOM 1267 C SER A 77 -12.812 12.572 5.959 1.00 0.00 C ATOM 1268 O SER A 77 -12.681 13.601 6.622 1.00 0.00 O ATOM 1269 CB SER A 77 -13.577 10.496 7.174 1.00 0.00 C ATOM 1270 OG SER A 77 -13.322 10.896 8.522 1.00 0.00 O ATOM 0 H SER A 77 -14.329 10.129 4.833 1.00 0.00 H new ATOM 0 HA SER A 77 -14.773 12.224 6.762 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.358 9.736 7.173 1.00 0.00 H new ATOM 0 HB3 SER A 77 -12.679 10.031 6.767 1.00 0.00 H new ATOM 0 HG SER A 77 -13.059 10.114 9.051 1.00 0.00 H new ATOM 1276 N GLY A 78 -11.980 12.199 4.961 1.00 0.00 N ATOM 1277 CA GLY A 78 -10.790 12.976 4.536 1.00 0.00 C ATOM 1278 C GLY A 78 -9.955 13.525 5.701 1.00 0.00 C ATOM 1279 O GLY A 78 -9.387 14.610 5.636 1.00 0.00 O ATOM 0 H GLY A 78 -12.115 11.343 4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.157 12.341 3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.116 13.808 3.912 1.00 0.00 H new ATOM 1283 N ASN A 79 -9.977 12.765 6.790 1.00 0.00 N ATOM 1284 CA ASN A 79 -9.396 13.198 8.058 1.00 0.00 C ATOM 1285 C ASN A 79 -8.176 12.337 8.343 1.00 0.00 C ATOM 1286 O ASN A 79 -8.240 11.106 8.415 1.00 0.00 O ATOM 1287 CB ASN A 79 -10.446 13.058 9.165 1.00 0.00 C ATOM 1288 CG ASN A 79 -10.639 14.394 9.879 1.00 0.00 C ATOM 1289 OD1 ASN A 79 -9.950 14.713 10.844 1.00 0.00 O ATOM 1290 ND2 ASN A 79 -11.525 15.212 9.359 1.00 0.00 N ATOM 0 H ASN A 79 -10.396 11.835 6.820 1.00 0.00 H new ATOM 0 HA ASN A 79 -9.089 14.243 8.012 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -11.392 12.725 8.739 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -10.133 12.297 9.880 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.656 16.142 9.757 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -12.082 14.917 8.557 1.00 0.00 H new ATOM 1297 N VAL A 80 -7.081 13.049 8.584 1.00 0.00 N ATOM 1298 CA VAL A 80 -5.817 12.443 9.055 1.00 0.00 C ATOM 1299 C VAL A 80 -6.050 11.580 10.310 1.00 0.00 C ATOM 1300 O VAL A 80 -5.293 10.647 10.530 1.00 0.00 O ATOM 1301 CB VAL A 80 -4.703 13.499 9.232 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -3.407 12.940 9.836 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -4.338 14.098 7.871 1.00 0.00 C ATOM 0 H VAL A 80 -7.033 14.061 8.462 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.455 11.767 8.280 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.111 14.239 9.920 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.674 13.741 9.929 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.615 12.523 10.821 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.011 12.159 9.187 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.552 14.842 8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.984 13.308 7.209 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.217 14.571 7.434 1.00 0.00 H new ATOM 1313 N LYS A 81 -7.178 11.753 10.996 1.00 0.00 N ATOM 1314 CA LYS A 81 -7.650 10.806 12.021 1.00 0.00 C ATOM 1315 C LYS A 81 -7.677 9.311 11.632 1.00 0.00 C ATOM 1316 O LYS A 81 -7.549 8.445 12.494 1.00 0.00 O ATOM 1317 CB LYS A 81 -9.006 11.250 12.575 1.00 0.00 C ATOM 1318 CG LYS A 81 -8.855 11.889 13.962 1.00 0.00 C ATOM 1319 CD LYS A 81 -8.153 10.906 14.901 1.00 0.00 C ATOM 1320 CE LYS A 81 -8.577 11.031 16.357 1.00 0.00 C ATOM 1321 NZ LYS A 81 -8.439 9.696 16.951 1.00 0.00 N ATOM 0 H LYS A 81 -7.796 12.553 10.861 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.882 10.852 12.793 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.466 11.963 11.891 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.675 10.392 12.638 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.280 12.812 13.889 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.834 12.154 14.361 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.352 9.890 14.561 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.076 11.060 14.832 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.953 11.755 16.881 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.606 11.384 16.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.719 9.731 17.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.051 9.025 16.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.449 9.385 16.879 1.00 0.00 H new ATOM 1335 N ASP A 82 -7.744 9.034 10.329 1.00 0.00 N ATOM 1336 CA ASP A 82 -7.545 7.670 9.789 1.00 0.00 C ATOM 1337 C ASP A 82 -6.093 7.433 9.320 1.00 0.00 C ATOM 1338 O ASP A 82 -5.503 6.383 9.566 1.00 0.00 O ATOM 1339 CB ASP A 82 -8.554 7.341 8.672 1.00 0.00 C ATOM 1340 CG ASP A 82 -8.324 8.049 7.329 1.00 0.00 C ATOM 1341 OD1 ASP A 82 -7.364 7.642 6.641 1.00 0.00 O ATOM 1342 OD2 ASP A 82 -9.112 8.962 7.009 1.00 0.00 O ATOM 0 H ASP A 82 -7.936 9.737 9.615 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.733 6.982 10.613 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.538 6.265 8.500 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.554 7.593 9.027 1.00 0.00 H new ATOM 1347 N LEU A 83 -5.505 8.475 8.731 1.00 0.00 N ATOM 1348 CA LEU A 83 -4.130 8.459 8.197 1.00 0.00 C ATOM 1349 C LEU A 83 -3.061 8.333 9.294 1.00 0.00 C ATOM 1350 O LEU A 83 -2.126 7.566 9.120 1.00 0.00 O ATOM 1351 CB LEU A 83 -3.895 9.696 7.316 1.00 0.00 C ATOM 1352 CG LEU A 83 -3.068 9.450 6.038 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -1.619 9.032 6.316 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -3.747 8.432 5.118 1.00 0.00 C ATOM 0 H LEU A 83 -5.974 9.372 8.606 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.028 7.564 7.584 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.863 10.106 7.029 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -3.392 10.456 7.913 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.025 10.414 5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.098 8.876 5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.117 9.816 6.883 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.611 8.106 6.892 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.137 8.283 4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.859 7.484 5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.730 8.803 4.827 1.00 0.00 H new ATOM 1366 N THR A 84 -3.310 8.902 10.471 1.00 0.00 N ATOM 1367 CA THR A 84 -2.495 8.720 11.699 1.00 0.00 C ATOM 1368 C THR A 84 -2.220 7.233 12.013 1.00 0.00 C ATOM 1369 O THR A 84 -1.090 6.837 12.275 1.00 0.00 O ATOM 1370 CB THR A 84 -3.121 9.435 12.919 1.00 0.00 C ATOM 1371 OG1 THR A 84 -2.404 9.121 14.113 1.00 0.00 O ATOM 1372 CG2 THR A 84 -4.598 9.119 13.165 1.00 0.00 C ATOM 0 H THR A 84 -4.106 9.524 10.615 1.00 0.00 H new ATOM 0 HA THR A 84 -1.533 9.189 11.494 1.00 0.00 H new ATOM 0 HB THR A 84 -3.052 10.494 12.671 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.815 9.584 14.873 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.946 9.667 14.041 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.183 9.416 12.295 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.718 8.049 13.335 1.00 0.00 H new ATOM 1380 N GLN A 85 -3.224 6.406 11.734 1.00 0.00 N ATOM 1381 CA GLN A 85 -3.135 4.942 11.890 1.00 0.00 C ATOM 1382 C GLN A 85 -2.642 4.242 10.616 1.00 0.00 C ATOM 1383 O GLN A 85 -1.755 3.394 10.674 1.00 0.00 O ATOM 1384 CB GLN A 85 -4.504 4.407 12.308 1.00 0.00 C ATOM 1385 CG GLN A 85 -4.522 3.980 13.780 1.00 0.00 C ATOM 1386 CD GLN A 85 -3.778 2.667 14.053 1.00 0.00 C ATOM 1387 OE1 GLN A 85 -3.494 1.850 13.183 1.00 0.00 O ATOM 1388 NE2 GLN A 85 -3.451 2.433 15.302 1.00 0.00 N ATOM 0 H GLN A 85 -4.130 6.726 11.391 1.00 0.00 H new ATOM 0 HA GLN A 85 -2.396 4.725 12.661 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.260 5.174 12.143 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -4.770 3.557 11.679 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.077 4.771 14.384 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -5.557 3.875 14.105 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.686 3.111 16.026 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -2.961 1.573 15.548 1.00 0.00 H new ATOM 1397 N ALA A 86 -3.081 4.744 9.462 1.00 0.00 N ATOM 1398 CA ALA A 86 -2.616 4.267 8.146 1.00 0.00 C ATOM 1399 C ALA A 86 -1.099 4.456 7.959 1.00 0.00 C ATOM 1400 O ALA A 86 -0.448 3.535 7.490 1.00 0.00 O ATOM 1401 CB ALA A 86 -3.397 4.951 7.022 1.00 0.00 C ATOM 0 H ALA A 86 -3.770 5.494 9.406 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.807 3.195 8.103 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.041 4.587 6.058 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.458 4.724 7.126 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.249 6.029 7.080 1.00 0.00 H new ATOM 1407 N TRP A 87 -0.542 5.525 8.526 1.00 0.00 N ATOM 1408 CA TRP A 87 0.911 5.787 8.635 1.00 0.00 C ATOM 1409 C TRP A 87 1.619 4.696 9.452 1.00 0.00 C ATOM 1410 O TRP A 87 2.642 4.163 9.022 1.00 0.00 O ATOM 1411 CB TRP A 87 1.129 7.190 9.230 1.00 0.00 C ATOM 1412 CG TRP A 87 2.242 7.306 10.290 1.00 0.00 C ATOM 1413 CD1 TRP A 87 2.039 7.466 11.598 1.00 0.00 C ATOM 1414 CD2 TRP A 87 3.599 7.132 10.097 1.00 0.00 C ATOM 1415 NE1 TRP A 87 3.204 7.400 12.235 1.00 0.00 N ATOM 1416 CE2 TRP A 87 4.183 7.197 11.371 1.00 0.00 C ATOM 1417 CE3 TRP A 87 4.391 6.915 8.984 1.00 0.00 C ATOM 1418 CZ2 TRP A 87 5.555 7.056 11.501 1.00 0.00 C ATOM 1419 CZ3 TRP A 87 5.759 6.738 9.123 1.00 0.00 C ATOM 1420 CH2 TRP A 87 6.345 6.815 10.388 1.00 0.00 C ATOM 0 H TRP A 87 -1.104 6.268 8.942 1.00 0.00 H new ATOM 0 HA TRP A 87 1.357 5.759 7.641 1.00 0.00 H new ATOM 0 HB2 TRP A 87 1.357 7.878 8.415 1.00 0.00 H new ATOM 0 HB3 TRP A 87 0.192 7.524 9.677 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.079 7.624 12.066 1.00 0.00 H new ATOM 0 HE1 TRP A 87 3.325 7.493 13.244 1.00 0.00 H new ATOM 0 HE3 TRP A 87 3.942 6.883 8.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.012 7.134 12.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 6.370 6.541 8.255 1.00 0.00 H new ATOM 0 HH2 TRP A 87 7.412 6.687 10.499 1.00 0.00 H new ATOM 1431 N ASP A 88 0.970 4.288 10.541 1.00 0.00 N ATOM 1432 CA ASP A 88 1.478 3.223 11.421 1.00 0.00 C ATOM 1433 C ASP A 88 1.575 1.921 10.617 1.00 0.00 C ATOM 1434 O ASP A 88 2.690 1.483 10.398 1.00 0.00 O ATOM 1435 CB ASP A 88 0.576 3.048 12.645 1.00 0.00 C ATOM 1436 CG ASP A 88 1.407 2.733 13.888 1.00 0.00 C ATOM 1437 OD1 ASP A 88 1.668 1.532 14.118 1.00 0.00 O ATOM 1438 OD2 ASP A 88 1.774 3.711 14.576 1.00 0.00 O ATOM 0 H ASP A 88 0.079 4.682 10.843 1.00 0.00 H new ATOM 0 HA ASP A 88 2.468 3.496 11.787 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.003 3.957 12.809 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.137 2.244 12.465 1.00 0.00 H new ATOM 1443 N LEU A 89 0.518 1.607 9.863 1.00 0.00 N ATOM 1444 CA LEU A 89 0.497 0.429 8.973 1.00 0.00 C ATOM 1445 C LEU A 89 1.433 0.579 7.767 1.00 0.00 C ATOM 1446 O LEU A 89 2.153 -0.353 7.436 1.00 0.00 O ATOM 1447 CB LEU A 89 -0.933 0.125 8.509 1.00 0.00 C ATOM 1448 CG LEU A 89 -1.853 -0.283 9.666 1.00 0.00 C ATOM 1449 CD1 LEU A 89 -3.295 -0.334 9.165 1.00 0.00 C ATOM 1450 CD2 LEU A 89 -1.465 -1.643 10.259 1.00 0.00 C ATOM 0 H LEU A 89 -0.343 2.153 9.847 1.00 0.00 H new ATOM 0 HA LEU A 89 0.868 -0.412 9.559 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.345 1.004 8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.909 -0.675 7.769 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.749 0.460 10.457 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.954 -0.624 9.983 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.586 0.649 8.795 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.375 -1.064 8.359 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.144 -1.891 11.075 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.531 -2.409 9.486 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.444 -1.597 10.638 1.00 0.00 H new ATOM 1462 N TYR A 90 1.592 1.814 7.307 1.00 0.00 N ATOM 1463 CA TYR A 90 2.441 2.209 6.175 1.00 0.00 C ATOM 1464 C TYR A 90 3.911 1.944 6.500 1.00 0.00 C ATOM 1465 O TYR A 90 4.547 1.187 5.784 1.00 0.00 O ATOM 1466 CB TYR A 90 2.259 3.705 5.921 1.00 0.00 C ATOM 1467 CG TYR A 90 2.234 4.039 4.445 1.00 0.00 C ATOM 1468 CD1 TYR A 90 3.344 3.824 3.628 1.00 0.00 C ATOM 1469 CD2 TYR A 90 1.076 4.607 3.926 1.00 0.00 C ATOM 1470 CE1 TYR A 90 3.294 4.192 2.307 1.00 0.00 C ATOM 1471 CE2 TYR A 90 1.018 4.953 2.599 1.00 0.00 C ATOM 1472 CZ TYR A 90 2.129 4.746 1.785 1.00 0.00 C ATOM 1473 OH TYR A 90 2.089 5.095 0.489 1.00 0.00 O ATOM 0 H TYR A 90 1.113 2.609 7.729 1.00 0.00 H new ATOM 0 HA TYR A 90 2.156 1.631 5.296 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.330 4.039 6.382 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.069 4.254 6.402 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.237 3.371 4.033 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.223 4.776 4.566 1.00 0.00 H new ATOM 0 HE1 TYR A 90 4.157 4.052 1.673 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.116 5.383 2.189 1.00 0.00 H new ATOM 0 HH TYR A 90 1.351 5.722 0.342 1.00 0.00 H new ATOM 1483 N TYR A 91 4.367 2.485 7.628 1.00 0.00 N ATOM 1484 CA TYR A 91 5.733 2.315 8.154 1.00 0.00 C ATOM 1485 C TYR A 91 5.993 0.926 8.764 1.00 0.00 C ATOM 1486 O TYR A 91 6.989 0.278 8.444 1.00 0.00 O ATOM 1487 CB TYR A 91 5.971 3.405 9.197 1.00 0.00 C ATOM 1488 CG TYR A 91 7.446 3.535 9.558 1.00 0.00 C ATOM 1489 CD1 TYR A 91 8.361 3.971 8.603 1.00 0.00 C ATOM 1490 CD2 TYR A 91 7.861 3.302 10.864 1.00 0.00 C ATOM 1491 CE1 TYR A 91 9.681 4.174 8.952 1.00 0.00 C ATOM 1492 CE2 TYR A 91 9.181 3.508 11.218 1.00 0.00 C ATOM 1493 CZ TYR A 91 10.098 3.932 10.258 1.00 0.00 C ATOM 1494 OH TYR A 91 11.405 4.071 10.577 1.00 0.00 O ATOM 0 H TYR A 91 3.784 3.073 8.224 1.00 0.00 H new ATOM 0 HA TYR A 91 6.429 2.400 7.319 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.605 4.358 8.815 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.396 3.180 10.095 1.00 0.00 H new ATOM 0 HD1 TYR A 91 8.038 4.150 7.588 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.151 2.960 11.603 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.389 4.520 8.213 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.501 3.341 12.236 1.00 0.00 H new ATOM 0 HH TYR A 91 11.533 3.867 11.527 1.00 0.00 H new ATOM 1504 N HIS A 92 5.014 0.434 9.520 1.00 0.00 N ATOM 1505 CA HIS A 92 5.049 -0.908 10.139 1.00 0.00 C ATOM 1506 C HIS A 92 5.175 -1.985 9.052 1.00 0.00 C ATOM 1507 O HIS A 92 5.980 -2.900 9.188 1.00 0.00 O ATOM 1508 CB HIS A 92 3.774 -1.145 10.952 1.00 0.00 C ATOM 1509 CG HIS A 92 3.778 -2.443 11.764 1.00 0.00 C ATOM 1510 ND1 HIS A 92 4.171 -2.554 13.025 1.00 0.00 N ATOM 1511 CD2 HIS A 92 3.240 -3.593 11.382 1.00 0.00 C ATOM 1512 CE1 HIS A 92 3.873 -3.791 13.428 1.00 0.00 C ATOM 1513 NE2 HIS A 92 3.284 -4.423 12.421 1.00 0.00 N ATOM 0 H HIS A 92 4.161 0.954 9.728 1.00 0.00 H new ATOM 0 HA HIS A 92 5.912 -0.965 10.802 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.629 -0.305 11.632 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.921 -1.157 10.273 1.00 0.00 H new ATOM 0 HD2 HIS A 92 2.839 -3.816 10.404 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.076 -4.206 14.404 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.927 -5.378 12.440 1.00 0.00 H new ATOM 1521 N VAL A 93 4.529 -1.735 7.914 1.00 0.00 N ATOM 1522 CA VAL A 93 4.604 -2.631 6.753 1.00 0.00 C ATOM 1523 C VAL A 93 5.773 -2.286 5.832 1.00 0.00 C ATOM 1524 O VAL A 93 6.305 -3.185 5.194 1.00 0.00 O ATOM 1525 CB VAL A 93 3.283 -2.716 5.980 1.00 0.00 C ATOM 1526 CG1 VAL A 93 3.060 -1.694 4.848 1.00 0.00 C ATOM 1527 CG2 VAL A 93 3.091 -4.158 5.521 1.00 0.00 C ATOM 0 H VAL A 93 3.942 -0.913 7.768 1.00 0.00 H new ATOM 0 HA VAL A 93 4.792 -3.626 7.156 1.00 0.00 H new ATOM 0 HB VAL A 93 2.503 -2.417 6.680 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.088 -1.868 4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.092 -0.684 5.258 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.843 -1.806 4.098 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.156 -4.242 4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.921 -4.448 4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.059 -4.815 6.390 1.00 0.00 H new ATOM 1537 N PHE A 94 6.096 -1.003 5.717 1.00 0.00 N ATOM 1538 CA PHE A 94 7.255 -0.491 4.965 1.00 0.00 C ATOM 1539 C PHE A 94 8.509 -1.354 5.160 1.00 0.00 C ATOM 1540 O PHE A 94 9.356 -1.366 4.279 1.00 0.00 O ATOM 1541 CB PHE A 94 7.514 0.954 5.412 1.00 0.00 C ATOM 1542 CG PHE A 94 8.793 1.562 4.864 1.00 0.00 C ATOM 1543 CD1 PHE A 94 9.997 1.316 5.520 1.00 0.00 C ATOM 1544 CD2 PHE A 94 8.778 2.280 3.671 1.00 0.00 C ATOM 1545 CE1 PHE A 94 11.181 1.768 4.985 1.00 0.00 C ATOM 1546 CE2 PHE A 94 9.966 2.744 3.141 1.00 0.00 C ATOM 1547 CZ PHE A 94 11.173 2.492 3.790 1.00 0.00 C ATOM 0 H PHE A 94 5.548 -0.262 6.154 1.00 0.00 H new ATOM 0 HA PHE A 94 7.026 -0.527 3.900 1.00 0.00 H new ATOM 0 HB2 PHE A 94 6.671 1.573 5.104 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.550 0.983 6.501 1.00 0.00 H new ATOM 0 HD1 PHE A 94 10.001 0.769 6.451 1.00 0.00 H new ATOM 0 HD2 PHE A 94 7.844 2.473 3.164 1.00 0.00 H new ATOM 0 HE1 PHE A 94 12.115 1.564 5.488 1.00 0.00 H new ATOM 0 HE2 PHE A 94 9.959 3.305 2.218 1.00 0.00 H new ATOM 0 HZ PHE A 94 12.100 2.855 3.371 1.00 0.00 H new ATOM 1557 N ARG A 95 8.640 -1.935 6.355 1.00 0.00 N ATOM 1558 CA ARG A 95 9.669 -2.944 6.680 1.00 0.00 C ATOM 1559 C ARG A 95 9.252 -4.414 6.495 1.00 0.00 C ATOM 1560 O ARG A 95 10.035 -5.215 5.979 1.00 0.00 O ATOM 1561 CB ARG A 95 10.181 -2.724 8.101 1.00 0.00 C ATOM 1562 CG ARG A 95 11.243 -1.629 8.105 1.00 0.00 C ATOM 1563 CD ARG A 95 11.744 -1.400 9.527 1.00 0.00 C ATOM 1564 NE ARG A 95 13.181 -1.713 9.621 1.00 0.00 N ATOM 1565 CZ ARG A 95 13.979 -1.373 10.636 1.00 0.00 C ATOM 1566 NH1 ARG A 95 13.519 -0.692 11.678 1.00 0.00 N ATOM 1567 NH2 ARG A 95 15.262 -1.695 10.618 1.00 0.00 N ATOM 0 H ARG A 95 8.027 -1.719 7.141 1.00 0.00 H new ATOM 0 HA ARG A 95 10.457 -2.785 5.944 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.355 -2.445 8.755 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.600 -3.651 8.494 1.00 0.00 H new ATOM 0 HG2 ARG A 95 12.073 -1.913 7.458 1.00 0.00 H new ATOM 0 HG3 ARG A 95 10.827 -0.705 7.703 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.571 -0.364 9.818 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.183 -2.024 10.222 1.00 0.00 H new ATOM 0 HE ARG A 95 13.600 -2.231 8.849 1.00 0.00 H new ATOM 0 HH11 ARG A 95 12.537 -0.417 11.715 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.147 -0.443 12.442 1.00 0.00 H new ATOM 0 HH21 ARG A 95 15.648 -2.207 9.825 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.865 -1.431 11.397 1.00 0.00 H new ATOM 1581 N ARG A 96 7.982 -4.708 6.760 1.00 0.00 N ATOM 1582 CA ARG A 96 7.365 -6.046 6.618 1.00 0.00 C ATOM 1583 C ARG A 96 7.274 -6.499 5.152 1.00 0.00 C ATOM 1584 O ARG A 96 8.087 -7.308 4.712 1.00 0.00 O ATOM 1585 CB ARG A 96 5.973 -6.072 7.264 1.00 0.00 C ATOM 1586 CG ARG A 96 6.010 -5.887 8.778 1.00 0.00 C ATOM 1587 CD ARG A 96 6.736 -7.035 9.483 1.00 0.00 C ATOM 1588 NE ARG A 96 7.356 -6.527 10.717 1.00 0.00 N ATOM 1589 CZ ARG A 96 6.748 -6.245 11.875 1.00 0.00 C ATOM 1590 NH1 ARG A 96 5.452 -6.439 12.045 1.00 0.00 N ATOM 1591 NH2 ARG A 96 7.448 -5.768 12.890 1.00 0.00 N ATOM 0 H ARG A 96 7.322 -4.005 7.092 1.00 0.00 H new ATOM 0 HA ARG A 96 8.017 -6.749 7.137 1.00 0.00 H new ATOM 0 HB2 ARG A 96 5.360 -5.286 6.823 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.489 -7.021 7.032 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.506 -4.946 9.015 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.991 -5.815 9.159 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.035 -7.836 9.717 1.00 0.00 H new ATOM 0 HD3 ARG A 96 7.496 -7.458 8.827 1.00 0.00 H new ATOM 0 HE ARG A 96 8.364 -6.372 10.686 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.888 -6.813 11.282 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.016 -6.215 12.939 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.452 -5.615 12.790 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.985 -5.553 13.773 1.00 0.00 H new ATOM 1605 N ILE A 97 6.471 -5.769 4.372 1.00 0.00 N ATOM 1606 CA ILE A 97 6.355 -5.963 2.906 1.00 0.00 C ATOM 1607 C ILE A 97 7.664 -5.652 2.164 1.00 0.00 C ATOM 1608 O ILE A 97 7.783 -5.955 0.983 1.00 0.00 O ATOM 1609 CB ILE A 97 5.213 -5.188 2.221 1.00 0.00 C ATOM 1610 CG1 ILE A 97 5.204 -3.683 2.499 1.00 0.00 C ATOM 1611 CG2 ILE A 97 3.859 -5.837 2.493 1.00 0.00 C ATOM 1612 CD1 ILE A 97 5.389 -2.875 1.218 1.00 0.00 C ATOM 0 H ILE A 97 5.877 -5.022 4.732 1.00 0.00 H new ATOM 0 HA ILE A 97 6.115 -7.024 2.829 1.00 0.00 H new ATOM 0 HB ILE A 97 5.415 -5.261 1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.262 -3.405 2.972 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.999 -3.438 3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.075 -5.266 1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.862 -6.858 2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.672 -5.852 3.567 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.377 -1.811 1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.343 -3.134 0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.579 -3.102 0.525 1.00 0.00 H new ATOM 1624 N SER A 98 8.563 -4.951 2.855 1.00 0.00 N ATOM 1625 CA SER A 98 9.919 -4.657 2.370 1.00 0.00 C ATOM 1626 C SER A 98 10.758 -5.928 2.239 1.00 0.00 C ATOM 1627 O SER A 98 11.367 -6.158 1.199 1.00 0.00 O ATOM 1628 CB SER A 98 10.620 -3.700 3.335 1.00 0.00 C ATOM 1629 OG SER A 98 12.046 -3.675 3.249 1.00 0.00 O ATOM 0 H SER A 98 8.371 -4.565 3.779 1.00 0.00 H new ATOM 0 HA SER A 98 9.824 -4.200 1.385 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.245 -2.692 3.156 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.339 -3.969 4.353 1.00 0.00 H new ATOM 0 HG SER A 98 12.402 -3.035 3.901 1.00 0.00 H new ATOM 1635 N LYS A 99 10.816 -6.686 3.334 1.00 0.00 N ATOM 1636 CA LYS A 99 11.721 -7.844 3.458 1.00 0.00 C ATOM 1637 C LYS A 99 13.209 -7.455 3.368 1.00 0.00 C ATOM 1638 O LYS A 99 14.038 -8.176 2.818 1.00 0.00 O ATOM 1639 CB LYS A 99 11.328 -8.935 2.447 1.00 0.00 C ATOM 1640 CG LYS A 99 10.363 -9.925 3.089 1.00 0.00 C ATOM 1641 CD LYS A 99 11.152 -10.898 3.968 1.00 0.00 C ATOM 1642 CE LYS A 99 10.392 -11.249 5.246 1.00 0.00 C ATOM 1643 NZ LYS A 99 10.872 -10.444 6.379 1.00 0.00 N ATOM 0 H LYS A 99 10.242 -6.521 4.161 1.00 0.00 H new ATOM 0 HA LYS A 99 11.600 -8.256 4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 99 10.865 -8.480 1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 99 12.219 -9.458 2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.623 -9.394 3.687 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.818 -10.471 2.319 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.360 -11.809 3.407 1.00 0.00 H new ATOM 0 HD3 LYS A 99 12.114 -10.456 4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 99 9.326 -11.078 5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 99 10.517 -12.309 5.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.341 -10.700 7.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 11.884 -10.627 6.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 10.730 -9.435 6.172 1.00 0.00 H new