USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 811 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 5 ASN : amide:sc= 0.568 K(o=1.8,f=1.1) USER MOD Set 1.2: A 48 GLN : amide:sc= 1.23 K(o=1.8,f=-0.15) USER MOD Set 2.1: A 26 TYR OH : rot 15:sc= 1.07 USER MOD Set 2.2: A 73 LYS NZ :NH3+ 175:sc= 1.27 (180deg=0) USER MOD Set 3.1: A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 84 TYR OH : rot 151:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 145:sc= -0.707 USER MOD Single : A 12 LYS NZ :NH3+ -144:sc= 0.316 (180deg=-0.247) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -123:sc= 0.092 (180deg=-0.0068) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 65:sc= 1.25 USER MOD Single : A 32 LYS NZ :NH3+ 146:sc= 1.2 (180deg=-0.169) USER MOD Single : A 33 MET CE :methyl -115:sc= -0.0876 (180deg=-2.66!) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.0771 K(o=-0.077,f=-1) USER MOD Single : A 68 MET CE :methyl -115:sc= -2.41 (180deg=-4.48!) USER MOD Single : A 72 ASN : amide:sc= 0.893 K(o=0.89,f=-0.45) USER MOD Single : A 78 CYS SG : rot 80:sc= 0.729 USER MOD Single : A 88 THR OG1 : rot -74:sc= -1.27! USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.43 K(o=-1.4,f=-4.9!) USER MOD Single : A 103 MET CE :methyl -164:sc= -2.57! (180deg=-5.14!) USER MOD Single : A 104 LYS NZ :NH3+ -153:sc= -0.19 (180deg=-0.883) USER MOD ----------------------------------------------------------------- ATOM 53 N ASN A 5 -0.891 -3.036 14.847 1.00 0.00 N ATOM 54 CA ASN A 5 -1.748 -2.498 13.794 1.00 0.00 C ATOM 55 C ASN A 5 -0.953 -1.633 12.824 1.00 0.00 C ATOM 56 O ASN A 5 -1.526 -0.977 11.953 1.00 0.00 O ATOM 57 CB ASN A 5 -2.897 -1.673 14.390 1.00 0.00 C ATOM 58 CG ASN A 5 -3.996 -2.516 15.018 1.00 0.00 C ATOM 59 OD1 ASN A 5 -5.162 -2.126 15.011 1.00 0.00 O ATOM 60 ND2 ASN A 5 -3.643 -3.663 15.576 1.00 0.00 N ATOM 0 HA ASN A 5 -2.163 -3.346 13.250 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.494 -0.998 15.145 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.331 -1.052 13.606 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.348 -4.253 16.018 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -2.666 -3.957 15.564 1.00 0.00 H new ATOM 67 N SER A 6 0.363 -1.621 12.982 1.00 0.00 N ATOM 68 CA SER A 6 1.227 -0.890 12.068 1.00 0.00 C ATOM 69 C SER A 6 1.169 -1.512 10.675 1.00 0.00 C ATOM 70 O SER A 6 1.042 -2.734 10.534 1.00 0.00 O ATOM 71 CB SER A 6 2.665 -0.871 12.586 1.00 0.00 C ATOM 72 OG SER A 6 2.739 -0.266 13.867 1.00 0.00 O ATOM 0 H SER A 6 0.854 -2.108 13.732 1.00 0.00 H new ATOM 0 HA SER A 6 0.873 0.139 12.005 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.049 -1.890 12.639 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.300 -0.327 11.886 1.00 0.00 H new ATOM 0 HG SER A 6 3.669 -0.268 14.176 1.00 0.00 H new ATOM 78 N PHE A 7 1.263 -0.665 9.657 1.00 0.00 N ATOM 79 CA PHE A 7 1.148 -1.099 8.268 1.00 0.00 C ATOM 80 C PHE A 7 2.166 -2.190 7.950 1.00 0.00 C ATOM 81 O PHE A 7 1.837 -3.174 7.295 1.00 0.00 O ATOM 82 CB PHE A 7 1.335 0.093 7.321 1.00 0.00 C ATOM 83 CG PHE A 7 0.977 -0.202 5.889 1.00 0.00 C ATOM 84 CD1 PHE A 7 -0.320 -0.012 5.437 1.00 0.00 C ATOM 85 CD2 PHE A 7 1.934 -0.656 4.996 1.00 0.00 C ATOM 86 CE1 PHE A 7 -0.656 -0.270 4.121 1.00 0.00 C ATOM 87 CE2 PHE A 7 1.605 -0.920 3.680 1.00 0.00 C ATOM 88 CZ PHE A 7 0.308 -0.725 3.243 1.00 0.00 C ATOM 0 H PHE A 7 1.420 0.337 9.769 1.00 0.00 H new ATOM 0 HA PHE A 7 0.150 -1.512 8.123 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.724 0.924 7.674 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.374 0.420 7.365 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.077 0.342 6.121 1.00 0.00 H new ATOM 0 HD2 PHE A 7 2.949 -0.805 5.332 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.669 -0.116 3.781 1.00 0.00 H new ATOM 0 HE2 PHE A 7 2.359 -1.278 2.995 1.00 0.00 H new ATOM 0 HZ PHE A 7 0.049 -0.929 2.215 1.00 0.00 H new ATOM 98 N SER A 8 3.393 -2.015 8.438 1.00 0.00 N ATOM 99 CA SER A 8 4.465 -2.988 8.229 1.00 0.00 C ATOM 100 C SER A 8 4.045 -4.392 8.667 1.00 0.00 C ATOM 101 O SER A 8 4.366 -5.381 8.003 1.00 0.00 O ATOM 102 CB SER A 8 5.716 -2.555 9.005 1.00 0.00 C ATOM 103 OG SER A 8 6.788 -3.465 8.819 1.00 0.00 O ATOM 0 H SER A 8 3.671 -1.201 8.986 1.00 0.00 H new ATOM 0 HA SER A 8 4.684 -3.022 7.162 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.021 -1.561 8.678 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.479 -2.483 10.067 1.00 0.00 H new ATOM 0 HG SER A 8 7.569 -3.158 9.326 1.00 0.00 H new ATOM 109 N ALA A 9 3.310 -4.468 9.771 1.00 0.00 N ATOM 110 CA ALA A 9 2.901 -5.745 10.339 1.00 0.00 C ATOM 111 C ALA A 9 1.855 -6.424 9.461 1.00 0.00 C ATOM 112 O ALA A 9 1.993 -7.596 9.101 1.00 0.00 O ATOM 113 CB ALA A 9 2.358 -5.537 11.743 1.00 0.00 C ATOM 0 H ALA A 9 2.984 -3.654 10.292 1.00 0.00 H new ATOM 0 HA ALA A 9 3.774 -6.396 10.387 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.054 -6.497 12.161 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.132 -5.096 12.371 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.498 -4.869 11.705 1.00 0.00 H new ATOM 119 N ILE A 10 0.821 -5.675 9.107 1.00 0.00 N ATOM 120 CA ILE A 10 -0.267 -6.207 8.295 1.00 0.00 C ATOM 121 C ILE A 10 0.205 -6.469 6.868 1.00 0.00 C ATOM 122 O ILE A 10 -0.174 -7.467 6.253 1.00 0.00 O ATOM 123 CB ILE A 10 -1.476 -5.248 8.290 1.00 0.00 C ATOM 124 CG1 ILE A 10 -1.962 -5.027 9.725 1.00 0.00 C ATOM 125 CG2 ILE A 10 -2.602 -5.801 7.422 1.00 0.00 C ATOM 126 CD1 ILE A 10 -3.041 -3.976 9.856 1.00 0.00 C ATOM 0 H ILE A 10 0.711 -4.695 9.369 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.583 -7.152 8.738 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.166 -4.292 7.867 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.339 -5.971 10.119 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.113 -4.740 10.345 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.444 -5.109 7.433 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.246 -5.923 6.399 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.922 -6.767 7.813 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.330 -3.880 10.903 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.663 -3.020 9.495 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.909 -4.270 9.265 1.00 0.00 H new ATOM 138 N TYR A 11 1.045 -5.577 6.354 1.00 0.00 N ATOM 139 CA TYR A 11 1.651 -5.752 5.040 1.00 0.00 C ATOM 140 C TYR A 11 2.418 -7.068 4.968 1.00 0.00 C ATOM 141 O TYR A 11 2.342 -7.778 3.970 1.00 0.00 O ATOM 142 CB TYR A 11 2.585 -4.579 4.721 1.00 0.00 C ATOM 143 CG TYR A 11 3.461 -4.810 3.512 1.00 0.00 C ATOM 144 CD1 TYR A 11 2.916 -4.901 2.239 1.00 0.00 C ATOM 145 CD2 TYR A 11 4.837 -4.945 3.649 1.00 0.00 C ATOM 146 CE1 TYR A 11 3.716 -5.124 1.137 1.00 0.00 C ATOM 147 CE2 TYR A 11 5.643 -5.165 2.551 1.00 0.00 C ATOM 148 CZ TYR A 11 5.077 -5.254 1.298 1.00 0.00 C ATOM 149 OH TYR A 11 5.875 -5.476 0.203 1.00 0.00 O ATOM 0 H TYR A 11 1.323 -4.720 6.832 1.00 0.00 H new ATOM 0 HA TYR A 11 0.852 -5.777 4.299 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.986 -3.683 4.558 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.219 -4.386 5.586 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.849 -4.796 2.109 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.283 -4.877 4.630 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.277 -5.196 0.153 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.711 -5.267 2.673 1.00 0.00 H new ATOM 0 HH TYR A 11 6.735 -5.022 0.327 1.00 0.00 H new ATOM 159 N LYS A 12 3.148 -7.397 6.029 1.00 0.00 N ATOM 160 CA LYS A 12 3.921 -8.630 6.046 1.00 0.00 C ATOM 161 C LYS A 12 3.000 -9.842 6.029 1.00 0.00 C ATOM 162 O LYS A 12 3.250 -10.798 5.304 1.00 0.00 O ATOM 163 CB LYS A 12 4.851 -8.700 7.257 1.00 0.00 C ATOM 164 CG LYS A 12 5.718 -9.952 7.257 1.00 0.00 C ATOM 165 CD LYS A 12 6.695 -9.973 8.418 1.00 0.00 C ATOM 166 CE LYS A 12 7.608 -11.189 8.348 1.00 0.00 C ATOM 167 NZ LYS A 12 6.861 -12.468 8.496 1.00 0.00 N ATOM 0 H LYS A 12 3.219 -6.834 6.877 1.00 0.00 H new ATOM 0 HA LYS A 12 4.537 -8.636 5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.492 -7.818 7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.256 -8.675 8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.079 -10.834 7.306 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.270 -10.010 6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.295 -9.063 8.408 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.145 -9.982 9.359 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.137 -11.188 7.395 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.363 -11.119 9.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.439 -13.148 9.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.972 -12.294 9.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.649 -12.857 7.555 1.00 0.00 H new ATOM 181 N GLU A 13 1.934 -9.796 6.822 1.00 0.00 N ATOM 182 CA GLU A 13 0.969 -10.890 6.858 1.00 0.00 C ATOM 183 C GLU A 13 0.294 -11.044 5.498 1.00 0.00 C ATOM 184 O GLU A 13 0.154 -12.155 4.984 1.00 0.00 O ATOM 185 CB GLU A 13 -0.080 -10.648 7.946 1.00 0.00 C ATOM 186 CG GLU A 13 -1.032 -11.817 8.138 1.00 0.00 C ATOM 187 CD GLU A 13 -2.095 -11.537 9.177 1.00 0.00 C ATOM 188 OE1 GLU A 13 -1.846 -11.778 10.376 1.00 0.00 O ATOM 189 OE2 GLU A 13 -3.188 -11.070 8.802 1.00 0.00 O ATOM 0 H GLU A 13 1.717 -9.018 7.445 1.00 0.00 H new ATOM 0 HA GLU A 13 1.502 -11.812 7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.426 -10.443 8.889 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.656 -9.758 7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.511 -12.050 7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.464 -12.699 8.434 1.00 0.00 H new ATOM 196 N TRP A 14 -0.107 -9.919 4.920 1.00 0.00 N ATOM 197 CA TRP A 14 -0.710 -9.899 3.593 1.00 0.00 C ATOM 198 C TRP A 14 0.260 -10.463 2.555 1.00 0.00 C ATOM 199 O TRP A 14 -0.099 -11.351 1.777 1.00 0.00 O ATOM 200 CB TRP A 14 -1.119 -8.464 3.238 1.00 0.00 C ATOM 201 CG TRP A 14 -1.558 -8.276 1.817 1.00 0.00 C ATOM 202 CD1 TRP A 14 -2.761 -8.620 1.269 1.00 0.00 C ATOM 203 CD2 TRP A 14 -0.794 -7.680 0.765 1.00 0.00 C ATOM 204 NE1 TRP A 14 -2.784 -8.280 -0.063 1.00 0.00 N ATOM 205 CE2 TRP A 14 -1.589 -7.701 -0.395 1.00 0.00 C ATOM 206 CE3 TRP A 14 0.487 -7.133 0.691 1.00 0.00 C ATOM 207 CZ2 TRP A 14 -1.144 -7.193 -1.612 1.00 0.00 C ATOM 208 CZ3 TRP A 14 0.929 -6.629 -0.513 1.00 0.00 C ATOM 209 CH2 TRP A 14 0.115 -6.662 -1.653 1.00 0.00 C ATOM 0 H TRP A 14 -0.024 -9.000 5.354 1.00 0.00 H new ATOM 0 HA TRP A 14 -1.600 -10.528 3.593 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.929 -8.157 3.899 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.277 -7.800 3.436 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.574 -9.090 1.803 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -3.565 -8.434 -0.701 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.123 -7.105 1.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -1.770 -7.217 -2.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 1.919 -6.202 -0.579 1.00 0.00 H new ATOM 0 HH2 TRP A 14 0.490 -6.260 -2.583 1.00 0.00 H new ATOM 220 N TYR A 15 1.489 -9.955 2.562 1.00 0.00 N ATOM 221 CA TYR A 15 2.527 -10.425 1.651 1.00 0.00 C ATOM 222 C TYR A 15 2.808 -11.910 1.855 1.00 0.00 C ATOM 223 O TYR A 15 2.854 -12.669 0.895 1.00 0.00 O ATOM 224 CB TYR A 15 3.818 -9.617 1.835 1.00 0.00 C ATOM 225 CG TYR A 15 5.044 -10.295 1.257 1.00 0.00 C ATOM 226 CD1 TYR A 15 5.155 -10.538 -0.107 1.00 0.00 C ATOM 227 CD2 TYR A 15 6.083 -10.704 2.082 1.00 0.00 C ATOM 228 CE1 TYR A 15 6.266 -11.172 -0.629 1.00 0.00 C ATOM 229 CE2 TYR A 15 7.200 -11.333 1.568 1.00 0.00 C ATOM 230 CZ TYR A 15 7.286 -11.565 0.210 1.00 0.00 C ATOM 231 OH TYR A 15 8.395 -12.196 -0.309 1.00 0.00 O ATOM 0 H TYR A 15 1.791 -9.213 3.193 1.00 0.00 H new ATOM 0 HA TYR A 15 2.163 -10.280 0.634 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.697 -8.641 1.364 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.978 -9.440 2.899 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.361 -10.226 -0.769 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.017 -10.527 3.145 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.335 -11.359 -1.690 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.001 -11.641 2.224 1.00 0.00 H new ATOM 0 HH TYR A 15 9.021 -12.406 0.415 1.00 0.00 H new ATOM 241 N GLU A 16 2.985 -12.316 3.103 1.00 0.00 N ATOM 242 CA GLU A 16 3.332 -13.696 3.425 1.00 0.00 C ATOM 243 C GLU A 16 2.209 -14.642 3.002 1.00 0.00 C ATOM 244 O GLU A 16 2.457 -15.759 2.546 1.00 0.00 O ATOM 245 CB GLU A 16 3.602 -13.821 4.926 1.00 0.00 C ATOM 246 CG GLU A 16 4.346 -15.083 5.320 1.00 0.00 C ATOM 247 CD GLU A 16 4.622 -15.144 6.806 1.00 0.00 C ATOM 248 OE1 GLU A 16 5.681 -14.635 7.239 1.00 0.00 O ATOM 249 OE2 GLU A 16 3.783 -15.698 7.549 1.00 0.00 O ATOM 0 H GLU A 16 2.894 -11.707 3.916 1.00 0.00 H new ATOM 0 HA GLU A 16 4.233 -13.973 2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.178 -12.956 5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.651 -13.791 5.459 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.761 -15.954 5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.289 -15.132 4.775 1.00 0.00 H new ATOM 256 N HIS A 17 0.976 -14.175 3.144 1.00 0.00 N ATOM 257 CA HIS A 17 -0.191 -14.949 2.744 1.00 0.00 C ATOM 258 C HIS A 17 -0.288 -15.019 1.219 1.00 0.00 C ATOM 259 O HIS A 17 -0.535 -16.080 0.649 1.00 0.00 O ATOM 260 CB HIS A 17 -1.457 -14.320 3.337 1.00 0.00 C ATOM 261 CG HIS A 17 -2.698 -15.136 3.147 1.00 0.00 C ATOM 262 ND1 HIS A 17 -3.036 -16.186 3.970 1.00 0.00 N ATOM 263 CD2 HIS A 17 -3.694 -15.038 2.237 1.00 0.00 C ATOM 264 CE1 HIS A 17 -4.184 -16.701 3.574 1.00 0.00 C ATOM 265 NE2 HIS A 17 -4.608 -16.023 2.522 1.00 0.00 N ATOM 0 H HIS A 17 0.758 -13.259 3.535 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.091 -15.966 3.125 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.303 -14.158 4.404 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.608 -13.340 2.884 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.759 -14.318 1.434 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.692 -17.536 4.033 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.470 -16.201 2.007 1.00 0.00 H new ATOM 274 N LYS A 18 -0.075 -13.884 0.562 1.00 0.00 N ATOM 275 CA LYS A 18 -0.128 -13.820 -0.896 1.00 0.00 C ATOM 276 C LYS A 18 1.098 -14.473 -1.530 1.00 0.00 C ATOM 277 O LYS A 18 1.079 -14.843 -2.705 1.00 0.00 O ATOM 278 CB LYS A 18 -0.250 -12.371 -1.367 1.00 0.00 C ATOM 279 CG LYS A 18 -1.685 -11.884 -1.494 1.00 0.00 C ATOM 280 CD LYS A 18 -2.455 -12.719 -2.504 1.00 0.00 C ATOM 281 CE LYS A 18 -3.681 -11.991 -3.028 1.00 0.00 C ATOM 282 NZ LYS A 18 -4.664 -11.683 -1.957 1.00 0.00 N ATOM 0 H LYS A 18 0.136 -12.995 1.015 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.011 -14.374 -1.216 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.282 -11.726 -0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.245 -12.270 -2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.178 -11.935 -0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.692 -10.838 -1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.801 -12.974 -3.338 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.761 -13.657 -2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.370 -11.063 -3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.162 -12.601 -3.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.585 -12.101 -2.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.331 -12.080 -1.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.766 -10.652 -1.865 1.00 0.00 H new ATOM 296 N LYS A 19 2.151 -14.621 -0.742 1.00 0.00 N ATOM 297 CA LYS A 19 3.378 -15.271 -1.188 1.00 0.00 C ATOM 298 C LYS A 19 3.112 -16.748 -1.474 1.00 0.00 C ATOM 299 O LYS A 19 3.869 -17.407 -2.185 1.00 0.00 O ATOM 300 CB LYS A 19 4.460 -15.113 -0.110 1.00 0.00 C ATOM 301 CG LYS A 19 5.839 -15.623 -0.501 1.00 0.00 C ATOM 302 CD LYS A 19 6.865 -15.263 0.564 1.00 0.00 C ATOM 303 CE LYS A 19 8.269 -15.721 0.195 1.00 0.00 C ATOM 304 NZ LYS A 19 8.427 -17.196 0.295 1.00 0.00 N ATOM 0 H LYS A 19 2.182 -14.295 0.224 1.00 0.00 H new ATOM 0 HA LYS A 19 3.726 -14.802 -2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.540 -14.058 0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.136 -15.639 0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.809 -16.704 -0.634 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.134 -15.193 -1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.866 -14.183 0.714 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.575 -15.716 1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.497 -15.402 -0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.991 -15.235 0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.399 -17.460 0.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.236 -17.500 1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.757 -17.661 -0.350 1.00 0.00 H new ATOM 318 N GLN A 20 2.017 -17.255 -0.919 1.00 0.00 N ATOM 319 CA GLN A 20 1.611 -18.635 -1.137 1.00 0.00 C ATOM 320 C GLN A 20 0.737 -18.740 -2.385 1.00 0.00 C ATOM 321 O GLN A 20 0.417 -19.836 -2.848 1.00 0.00 O ATOM 322 CB GLN A 20 0.838 -19.156 0.077 1.00 0.00 C ATOM 323 CG GLN A 20 1.545 -18.918 1.403 1.00 0.00 C ATOM 324 CD GLN A 20 0.748 -19.434 2.585 1.00 0.00 C ATOM 325 OE1 GLN A 20 -0.482 -19.486 2.548 1.00 0.00 O ATOM 326 NE2 GLN A 20 1.440 -19.806 3.648 1.00 0.00 N ATOM 0 H GLN A 20 1.392 -16.725 -0.311 1.00 0.00 H new ATOM 0 HA GLN A 20 2.507 -19.240 -1.278 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.140 -18.676 0.106 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.665 -20.225 -0.045 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.519 -19.406 1.385 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.726 -17.850 1.529 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.458 -19.748 3.640 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.956 -20.151 4.477 1.00 0.00 H new ATOM 335 N VAL A 21 0.357 -17.592 -2.927 1.00 0.00 N ATOM 336 CA VAL A 21 -0.545 -17.543 -4.069 1.00 0.00 C ATOM 337 C VAL A 21 0.216 -17.265 -5.360 1.00 0.00 C ATOM 338 O VAL A 21 0.027 -17.951 -6.366 1.00 0.00 O ATOM 339 CB VAL A 21 -1.638 -16.466 -3.879 1.00 0.00 C ATOM 340 CG1 VAL A 21 -2.603 -16.453 -5.056 1.00 0.00 C ATOM 341 CG2 VAL A 21 -2.390 -16.689 -2.574 1.00 0.00 C ATOM 0 H VAL A 21 0.661 -16.678 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.021 -18.521 -4.139 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.147 -15.494 -3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.361 -15.686 -4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.055 -16.236 -5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.084 -17.427 -5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.155 -15.921 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.862 -17.671 -2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.692 -16.635 -1.738 1.00 0.00 H new ATOM 351 N TRP A 22 1.081 -16.266 -5.326 1.00 0.00 N ATOM 352 CA TRP A 22 1.833 -15.866 -6.510 1.00 0.00 C ATOM 353 C TRP A 22 3.105 -16.691 -6.651 1.00 0.00 C ATOM 354 O TRP A 22 3.453 -17.470 -5.762 1.00 0.00 O ATOM 355 CB TRP A 22 2.212 -14.385 -6.440 1.00 0.00 C ATOM 356 CG TRP A 22 1.066 -13.464 -6.156 1.00 0.00 C ATOM 357 CD1 TRP A 22 -0.209 -13.553 -6.637 1.00 0.00 C ATOM 358 CD2 TRP A 22 1.109 -12.294 -5.338 1.00 0.00 C ATOM 359 NE1 TRP A 22 -0.966 -12.514 -6.151 1.00 0.00 N ATOM 360 CE2 TRP A 22 -0.177 -11.723 -5.356 1.00 0.00 C ATOM 361 CE3 TRP A 22 2.112 -11.674 -4.589 1.00 0.00 C ATOM 362 CZ2 TRP A 22 -0.485 -10.561 -4.651 1.00 0.00 C ATOM 363 CZ3 TRP A 22 1.807 -10.523 -3.891 1.00 0.00 C ATOM 364 CH2 TRP A 22 0.519 -9.974 -3.927 1.00 0.00 C ATOM 0 H TRP A 22 1.282 -15.714 -4.492 1.00 0.00 H new ATOM 0 HA TRP A 22 1.192 -16.037 -7.375 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.968 -14.253 -5.666 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.669 -14.095 -7.386 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -0.569 -14.325 -7.301 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -1.954 -12.357 -6.349 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.109 -12.088 -4.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.479 -10.139 -4.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 2.575 -10.037 -3.307 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.313 -9.070 -3.373 1.00 0.00 H new ATOM 375 N SER A 23 3.791 -16.521 -7.771 1.00 0.00 N ATOM 376 CA SER A 23 5.104 -17.113 -7.957 1.00 0.00 C ATOM 377 C SER A 23 6.140 -16.279 -7.215 1.00 0.00 C ATOM 378 O SER A 23 5.950 -15.074 -7.029 1.00 0.00 O ATOM 379 CB SER A 23 5.448 -17.186 -9.444 1.00 0.00 C ATOM 380 OG SER A 23 4.471 -17.924 -10.159 1.00 0.00 O ATOM 0 H SER A 23 3.458 -15.976 -8.566 1.00 0.00 H new ATOM 0 HA SER A 23 5.103 -18.127 -7.557 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.519 -16.178 -9.854 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.425 -17.652 -9.572 1.00 0.00 H new ATOM 0 HG SER A 23 4.714 -17.954 -11.108 1.00 0.00 H new ATOM 386 N VAL A 24 7.235 -16.907 -6.802 1.00 0.00 N ATOM 387 CA VAL A 24 8.232 -16.235 -5.976 1.00 0.00 C ATOM 388 C VAL A 24 8.845 -15.033 -6.703 1.00 0.00 C ATOM 389 O VAL A 24 9.204 -14.038 -6.075 1.00 0.00 O ATOM 390 CB VAL A 24 9.347 -17.207 -5.518 1.00 0.00 C ATOM 391 CG1 VAL A 24 10.213 -17.649 -6.689 1.00 0.00 C ATOM 392 CG2 VAL A 24 10.193 -16.579 -4.421 1.00 0.00 C ATOM 0 H VAL A 24 7.455 -17.878 -7.025 1.00 0.00 H new ATOM 0 HA VAL A 24 7.712 -15.873 -5.089 1.00 0.00 H new ATOM 0 HB VAL A 24 8.867 -18.096 -5.110 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.986 -18.330 -6.333 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.594 -18.157 -7.428 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.681 -16.777 -7.145 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.970 -17.280 -4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.655 -15.666 -4.796 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.561 -16.341 -3.565 1.00 0.00 H new ATOM 402 N GLY A 25 8.933 -15.119 -8.028 1.00 0.00 N ATOM 403 CA GLY A 25 9.473 -14.021 -8.812 1.00 0.00 C ATOM 404 C GLY A 25 8.610 -12.781 -8.724 1.00 0.00 C ATOM 405 O GLY A 25 9.078 -11.717 -8.309 1.00 0.00 O ATOM 0 H GLY A 25 8.640 -15.930 -8.573 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.479 -13.788 -8.463 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.560 -14.329 -9.854 1.00 0.00 H new ATOM 409 N TYR A 26 7.345 -12.929 -9.096 1.00 0.00 N ATOM 410 CA TYR A 26 6.377 -11.843 -9.005 1.00 0.00 C ATOM 411 C TYR A 26 6.274 -11.335 -7.568 1.00 0.00 C ATOM 412 O TYR A 26 6.215 -10.129 -7.329 1.00 0.00 O ATOM 413 CB TYR A 26 5.004 -12.321 -9.499 1.00 0.00 C ATOM 414 CG TYR A 26 3.921 -11.264 -9.426 1.00 0.00 C ATOM 415 CD1 TYR A 26 3.139 -11.120 -8.287 1.00 0.00 C ATOM 416 CD2 TYR A 26 3.680 -10.411 -10.496 1.00 0.00 C ATOM 417 CE1 TYR A 26 2.154 -10.156 -8.213 1.00 0.00 C ATOM 418 CE2 TYR A 26 2.694 -9.444 -10.431 1.00 0.00 C ATOM 419 CZ TYR A 26 1.935 -9.321 -9.286 1.00 0.00 C ATOM 420 OH TYR A 26 0.949 -8.360 -9.213 1.00 0.00 O ATOM 0 H TYR A 26 6.963 -13.799 -9.467 1.00 0.00 H new ATOM 0 HA TYR A 26 6.715 -11.021 -9.637 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.098 -12.659 -10.531 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.696 -13.183 -8.907 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.305 -11.774 -7.444 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.273 -10.505 -11.394 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.558 -10.057 -7.318 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.519 -8.789 -11.272 1.00 0.00 H new ATOM 0 HH TYR A 26 0.672 -8.245 -8.280 1.00 0.00 H new ATOM 430 N ALA A 27 6.266 -12.267 -6.619 1.00 0.00 N ATOM 431 CA ALA A 27 6.155 -11.927 -5.207 1.00 0.00 C ATOM 432 C ALA A 27 7.326 -11.060 -4.750 1.00 0.00 C ATOM 433 O ALA A 27 7.129 -10.064 -4.059 1.00 0.00 O ATOM 434 CB ALA A 27 6.062 -13.189 -4.363 1.00 0.00 C ATOM 0 H ALA A 27 6.335 -13.267 -6.805 1.00 0.00 H new ATOM 0 HA ALA A 27 5.241 -11.348 -5.072 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.980 -12.918 -3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.183 -13.761 -4.660 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.956 -13.794 -4.513 1.00 0.00 H new ATOM 440 N THR A 28 8.539 -11.436 -5.146 1.00 0.00 N ATOM 441 CA THR A 28 9.733 -10.677 -4.786 1.00 0.00 C ATOM 442 C THR A 28 9.680 -9.270 -5.382 1.00 0.00 C ATOM 443 O THR A 28 9.946 -8.282 -4.696 1.00 0.00 O ATOM 444 CB THR A 28 11.018 -11.390 -5.267 1.00 0.00 C ATOM 445 OG1 THR A 28 11.065 -12.725 -4.743 1.00 0.00 O ATOM 446 CG2 THR A 28 12.264 -10.628 -4.833 1.00 0.00 C ATOM 0 H THR A 28 8.721 -12.262 -5.716 1.00 0.00 H new ATOM 0 HA THR A 28 9.758 -10.607 -3.699 1.00 0.00 H new ATOM 0 HB THR A 28 10.996 -11.425 -6.356 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.322 -13.247 -5.111 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.152 -11.152 -5.185 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.243 -9.624 -5.258 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.289 -10.561 -3.745 1.00 0.00 H new ATOM 454 N GLU A 29 9.312 -9.197 -6.656 1.00 0.00 N ATOM 455 CA GLU A 29 9.221 -7.931 -7.372 1.00 0.00 C ATOM 456 C GLU A 29 8.236 -6.985 -6.684 1.00 0.00 C ATOM 457 O GLU A 29 8.571 -5.842 -6.361 1.00 0.00 O ATOM 458 CB GLU A 29 8.779 -8.194 -8.814 1.00 0.00 C ATOM 459 CG GLU A 29 8.687 -6.947 -9.673 1.00 0.00 C ATOM 460 CD GLU A 29 10.018 -6.244 -9.830 1.00 0.00 C ATOM 461 OE1 GLU A 29 10.927 -6.817 -10.467 1.00 0.00 O ATOM 462 OE2 GLU A 29 10.155 -5.104 -9.340 1.00 0.00 O ATOM 0 H GLU A 29 9.069 -10.011 -7.220 1.00 0.00 H new ATOM 0 HA GLU A 29 10.202 -7.456 -7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.480 -8.889 -9.276 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.806 -8.685 -8.800 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.305 -7.217 -10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.967 -6.258 -9.230 1.00 0.00 H new ATOM 469 N LEU A 30 7.028 -7.483 -6.447 1.00 0.00 N ATOM 470 CA LEU A 30 5.973 -6.689 -5.832 1.00 0.00 C ATOM 471 C LEU A 30 6.363 -6.292 -4.413 1.00 0.00 C ATOM 472 O LEU A 30 6.178 -5.143 -4.007 1.00 0.00 O ATOM 473 CB LEU A 30 4.656 -7.483 -5.841 1.00 0.00 C ATOM 474 CG LEU A 30 3.409 -6.729 -5.357 1.00 0.00 C ATOM 475 CD1 LEU A 30 2.162 -7.312 -5.999 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.281 -6.795 -3.841 1.00 0.00 C ATOM 0 H LEU A 30 6.755 -8.439 -6.673 1.00 0.00 H new ATOM 0 HA LEU A 30 5.832 -5.774 -6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.473 -7.832 -6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.785 -8.368 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 30 3.515 -5.684 -5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.284 -6.769 -5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.235 -7.222 -7.083 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.071 -8.364 -5.727 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.389 -6.253 -3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.202 -7.836 -3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.160 -6.344 -3.382 1.00 0.00 H new ATOM 488 N ALA A 31 6.915 -7.244 -3.672 1.00 0.00 N ATOM 489 CA ALA A 31 7.276 -7.016 -2.283 1.00 0.00 C ATOM 490 C ALA A 31 8.371 -5.972 -2.149 1.00 0.00 C ATOM 491 O ALA A 31 8.302 -5.112 -1.276 1.00 0.00 O ATOM 492 CB ALA A 31 7.712 -8.310 -1.622 1.00 0.00 C ATOM 0 H ALA A 31 7.122 -8.183 -4.013 1.00 0.00 H new ATOM 0 HA ALA A 31 6.387 -6.639 -1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.978 -8.116 -0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.895 -9.031 -1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.577 -8.714 -2.148 1.00 0.00 H new ATOM 498 N LYS A 32 9.384 -6.041 -3.008 1.00 0.00 N ATOM 499 CA LYS A 32 10.504 -5.125 -2.891 1.00 0.00 C ATOM 500 C LYS A 32 10.070 -3.692 -3.145 1.00 0.00 C ATOM 501 O LYS A 32 10.311 -2.832 -2.314 1.00 0.00 O ATOM 502 CB LYS A 32 11.663 -5.491 -3.818 1.00 0.00 C ATOM 503 CG LYS A 32 12.822 -4.508 -3.706 1.00 0.00 C ATOM 504 CD LYS A 32 14.089 -5.029 -4.357 1.00 0.00 C ATOM 505 CE LYS A 32 15.227 -4.023 -4.237 1.00 0.00 C ATOM 506 NZ LYS A 32 15.462 -3.598 -2.827 1.00 0.00 N ATOM 0 H LYS A 32 9.449 -6.709 -3.776 1.00 0.00 H new ATOM 0 HA LYS A 32 10.863 -5.213 -1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.015 -6.494 -3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.308 -5.516 -4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.540 -3.564 -4.172 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.017 -4.299 -2.654 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.381 -5.969 -3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.899 -5.242 -5.409 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.140 -4.462 -4.639 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.000 -3.147 -4.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.477 -3.425 -2.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.931 -2.725 -2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.142 -4.347 -2.181 1.00 0.00 H new ATOM 520 N MET A 33 9.415 -3.433 -4.273 1.00 0.00 N ATOM 521 CA MET A 33 9.019 -2.064 -4.610 1.00 0.00 C ATOM 522 C MET A 33 8.121 -1.473 -3.519 1.00 0.00 C ATOM 523 O MET A 33 8.263 -0.304 -3.145 1.00 0.00 O ATOM 524 CB MET A 33 8.321 -2.005 -5.978 1.00 0.00 C ATOM 525 CG MET A 33 6.993 -2.740 -6.041 1.00 0.00 C ATOM 526 SD MET A 33 6.183 -2.577 -7.645 1.00 0.00 S ATOM 527 CE MET A 33 4.645 -3.438 -7.330 1.00 0.00 C ATOM 0 H MET A 33 9.149 -4.138 -4.961 1.00 0.00 H new ATOM 0 HA MET A 33 9.926 -1.463 -4.672 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.156 -0.961 -6.243 1.00 0.00 H new ATOM 0 HB3 MET A 33 8.989 -2.423 -6.731 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.156 -3.796 -5.827 1.00 0.00 H new ATOM 0 HG3 MET A 33 6.332 -2.355 -5.264 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.595 -4.332 -7.951 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.596 -3.723 -6.279 1.00 0.00 H new ATOM 0 HE3 MET A 33 3.806 -2.783 -7.568 1.00 0.00 H new ATOM 537 N PHE A 34 7.228 -2.304 -2.989 1.00 0.00 N ATOM 538 CA PHE A 34 6.319 -1.888 -1.933 1.00 0.00 C ATOM 539 C PHE A 34 7.092 -1.579 -0.654 1.00 0.00 C ATOM 540 O PHE A 34 7.011 -0.478 -0.121 1.00 0.00 O ATOM 541 CB PHE A 34 5.288 -2.986 -1.671 1.00 0.00 C ATOM 542 CG PHE A 34 3.875 -2.555 -1.913 1.00 0.00 C ATOM 543 CD1 PHE A 34 3.417 -2.328 -3.200 1.00 0.00 C ATOM 544 CD2 PHE A 34 3.002 -2.374 -0.852 1.00 0.00 C ATOM 545 CE1 PHE A 34 2.116 -1.928 -3.426 1.00 0.00 C ATOM 546 CE2 PHE A 34 1.698 -1.975 -1.072 1.00 0.00 C ATOM 547 CZ PHE A 34 1.256 -1.751 -2.359 1.00 0.00 C ATOM 0 H PHE A 34 7.117 -3.276 -3.278 1.00 0.00 H new ATOM 0 HA PHE A 34 5.803 -0.983 -2.253 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.512 -3.842 -2.308 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.384 -3.323 -0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.086 -2.466 -4.037 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.345 -2.547 0.157 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.771 -1.754 -4.434 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.026 -1.839 -0.238 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.237 -1.437 -2.533 1.00 0.00 H new ATOM 557 N ASP A 35 7.858 -2.551 -0.178 1.00 0.00 N ATOM 558 CA ASP A 35 8.633 -2.393 1.050 1.00 0.00 C ATOM 559 C ASP A 35 9.667 -1.276 0.923 1.00 0.00 C ATOM 560 O ASP A 35 9.749 -0.392 1.773 1.00 0.00 O ATOM 561 CB ASP A 35 9.328 -3.713 1.405 1.00 0.00 C ATOM 562 CG ASP A 35 10.305 -3.579 2.557 1.00 0.00 C ATOM 563 OD1 ASP A 35 9.872 -3.634 3.726 1.00 0.00 O ATOM 564 OD2 ASP A 35 11.521 -3.448 2.299 1.00 0.00 O ATOM 0 H ASP A 35 7.961 -3.462 -0.624 1.00 0.00 H new ATOM 0 HA ASP A 35 7.942 -2.119 1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.573 -4.457 1.661 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.858 -4.085 0.528 1.00 0.00 H new ATOM 569 N ASP A 36 10.417 -1.309 -0.168 1.00 0.00 N ATOM 570 CA ASP A 36 11.545 -0.403 -0.384 1.00 0.00 C ATOM 571 C ASP A 36 11.120 1.061 -0.312 1.00 0.00 C ATOM 572 O ASP A 36 11.804 1.884 0.299 1.00 0.00 O ATOM 573 CB ASP A 36 12.172 -0.684 -1.752 1.00 0.00 C ATOM 574 CG ASP A 36 13.635 -0.306 -1.836 1.00 0.00 C ATOM 575 OD1 ASP A 36 13.949 0.901 -1.871 1.00 0.00 O ATOM 576 OD2 ASP A 36 14.480 -1.222 -1.912 1.00 0.00 O ATOM 0 H ASP A 36 10.264 -1.965 -0.933 1.00 0.00 H new ATOM 0 HA ASP A 36 12.271 -0.580 0.409 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.065 -1.744 -1.980 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.619 -0.136 -2.515 1.00 0.00 H new ATOM 581 N ASP A 37 9.993 1.387 -0.934 1.00 0.00 N ATOM 582 CA ASP A 37 9.551 2.777 -1.009 1.00 0.00 C ATOM 583 C ASP A 37 8.474 3.108 0.021 1.00 0.00 C ATOM 584 O ASP A 37 8.542 4.144 0.681 1.00 0.00 O ATOM 585 CB ASP A 37 9.034 3.101 -2.415 1.00 0.00 C ATOM 586 CG ASP A 37 10.153 3.318 -3.416 1.00 0.00 C ATOM 587 OD1 ASP A 37 10.986 2.409 -3.609 1.00 0.00 O ATOM 588 OD2 ASP A 37 10.215 4.408 -4.021 1.00 0.00 O ATOM 0 H ASP A 37 9.373 0.717 -1.390 1.00 0.00 H new ATOM 0 HA ASP A 37 10.422 3.393 -0.784 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.397 2.287 -2.760 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.413 3.995 -2.372 1.00 0.00 H new ATOM 593 N ILE A 38 7.494 2.229 0.170 1.00 0.00 N ATOM 594 CA ILE A 38 6.301 2.532 0.958 1.00 0.00 C ATOM 595 C ILE A 38 6.540 2.397 2.465 1.00 0.00 C ATOM 596 O ILE A 38 5.957 3.142 3.257 1.00 0.00 O ATOM 597 CB ILE A 38 5.124 1.626 0.533 1.00 0.00 C ATOM 598 CG1 ILE A 38 4.901 1.752 -0.977 1.00 0.00 C ATOM 599 CG2 ILE A 38 3.855 1.975 1.300 1.00 0.00 C ATOM 600 CD1 ILE A 38 3.712 0.972 -1.492 1.00 0.00 C ATOM 0 H ILE A 38 7.499 1.297 -0.244 1.00 0.00 H new ATOM 0 HA ILE A 38 6.052 3.574 0.758 1.00 0.00 H new ATOM 0 HB ILE A 38 5.374 0.592 0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.768 2.804 -1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.797 1.412 -1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.044 1.321 0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.027 1.842 2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.584 3.012 1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.623 1.114 -2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.850 -0.087 -1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.805 1.327 -1.003 1.00 0.00 H new ATOM 612 N LEU A 39 7.401 1.465 2.863 1.00 0.00 N ATOM 613 CA LEU A 39 7.671 1.235 4.286 1.00 0.00 C ATOM 614 C LEU A 39 8.224 2.488 4.982 1.00 0.00 C ATOM 615 O LEU A 39 7.739 2.855 6.051 1.00 0.00 O ATOM 616 CB LEU A 39 8.612 0.043 4.483 1.00 0.00 C ATOM 617 CG LEU A 39 7.927 -1.314 4.707 1.00 0.00 C ATOM 618 CD1 LEU A 39 7.426 -1.424 6.135 1.00 0.00 C ATOM 619 CD2 LEU A 39 6.771 -1.514 3.738 1.00 0.00 C ATOM 0 H LEU A 39 7.922 0.859 2.229 1.00 0.00 H new ATOM 0 HA LEU A 39 6.716 1.000 4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.257 -0.036 3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.257 0.250 5.337 1.00 0.00 H new ATOM 0 HG LEU A 39 8.666 -2.094 4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.943 -2.391 6.278 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.266 -1.333 6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.708 -0.628 6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.306 -2.483 3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.034 -0.725 3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.144 -1.478 2.714 1.00 0.00 H new ATOM 631 N PRO A 40 9.239 3.172 4.411 1.00 0.00 N ATOM 632 CA PRO A 40 9.743 4.432 4.979 1.00 0.00 C ATOM 633 C PRO A 40 8.687 5.544 5.010 1.00 0.00 C ATOM 634 O PRO A 40 8.845 6.534 5.722 1.00 0.00 O ATOM 635 CB PRO A 40 10.894 4.821 4.041 1.00 0.00 C ATOM 636 CG PRO A 40 11.283 3.555 3.363 1.00 0.00 C ATOM 637 CD PRO A 40 10.016 2.765 3.223 1.00 0.00 C ATOM 0 HA PRO A 40 10.042 4.302 6.019 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.578 5.574 3.319 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.731 5.244 4.597 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.730 3.754 2.389 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.023 3.009 3.948 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.492 3.003 2.297 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.208 1.692 3.214 1.00 0.00 H new ATOM 645 N ILE A 41 7.608 5.375 4.249 1.00 0.00 N ATOM 646 CA ILE A 41 6.570 6.400 4.168 1.00 0.00 C ATOM 647 C ILE A 41 5.467 6.168 5.200 1.00 0.00 C ATOM 648 O ILE A 41 5.195 7.036 6.030 1.00 0.00 O ATOM 649 CB ILE A 41 5.941 6.469 2.756 1.00 0.00 C ATOM 650 CG1 ILE A 41 7.020 6.750 1.709 1.00 0.00 C ATOM 651 CG2 ILE A 41 4.859 7.544 2.703 1.00 0.00 C ATOM 652 CD1 ILE A 41 6.499 6.780 0.289 1.00 0.00 C ATOM 0 H ILE A 41 7.430 4.545 3.684 1.00 0.00 H new ATOM 0 HA ILE A 41 7.061 7.350 4.381 1.00 0.00 H new ATOM 0 HB ILE A 41 5.481 5.506 2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.491 7.707 1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.795 5.988 1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.428 7.578 1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.078 7.310 3.427 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.297 8.513 2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.322 6.985 -0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.054 5.815 0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.745 7.562 0.194 1.00 0.00 H new ATOM 664 N ILE A 42 4.820 5.005 5.144 1.00 0.00 N ATOM 665 CA ILE A 42 3.716 4.709 6.060 1.00 0.00 C ATOM 666 C ILE A 42 3.902 3.371 6.762 1.00 0.00 C ATOM 667 O ILE A 42 3.034 2.937 7.515 1.00 0.00 O ATOM 668 CB ILE A 42 2.352 4.669 5.345 1.00 0.00 C ATOM 669 CG1 ILE A 42 2.335 3.561 4.294 1.00 0.00 C ATOM 670 CG2 ILE A 42 2.028 6.012 4.713 1.00 0.00 C ATOM 671 CD1 ILE A 42 0.944 3.068 3.987 1.00 0.00 C ATOM 0 H ILE A 42 5.036 4.259 4.483 1.00 0.00 H new ATOM 0 HA ILE A 42 3.727 5.522 6.786 1.00 0.00 H new ATOM 0 HB ILE A 42 1.584 4.455 6.088 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.796 3.929 3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.943 2.726 4.643 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.060 5.956 4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.994 6.779 5.486 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.797 6.266 3.983 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.995 2.282 3.234 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.490 2.672 4.895 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.340 3.893 3.610 1.00 0.00 H new ATOM 683 N GLY A 43 5.030 2.722 6.516 1.00 0.00 N ATOM 684 CA GLY A 43 5.267 1.406 7.082 1.00 0.00 C ATOM 685 C GLY A 43 5.260 1.415 8.595 1.00 0.00 C ATOM 686 O GLY A 43 4.794 0.466 9.230 1.00 0.00 O ATOM 0 H GLY A 43 5.787 3.081 5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.503 0.717 6.723 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.227 1.030 6.729 1.00 0.00 H new ATOM 690 N GLY A 44 5.766 2.496 9.171 1.00 0.00 N ATOM 691 CA GLY A 44 5.808 2.619 10.611 1.00 0.00 C ATOM 692 C GLY A 44 4.560 3.266 11.176 1.00 0.00 C ATOM 693 O GLY A 44 4.481 3.527 12.378 1.00 0.00 O ATOM 0 H GLY A 44 6.150 3.293 8.663 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.933 1.631 11.053 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.680 3.208 10.897 1.00 0.00 H new ATOM 697 N LEU A 45 3.578 3.526 10.320 1.00 0.00 N ATOM 698 CA LEU A 45 2.342 4.152 10.761 1.00 0.00 C ATOM 699 C LEU A 45 1.291 3.090 11.040 1.00 0.00 C ATOM 700 O LEU A 45 1.285 2.030 10.407 1.00 0.00 O ATOM 701 CB LEU A 45 1.830 5.134 9.706 1.00 0.00 C ATOM 702 CG LEU A 45 2.730 6.344 9.450 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.188 7.175 8.299 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.846 7.199 10.702 1.00 0.00 C ATOM 0 H LEU A 45 3.615 3.314 9.323 1.00 0.00 H new ATOM 0 HA LEU A 45 2.542 4.705 11.679 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.696 4.596 8.767 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.847 5.491 10.012 1.00 0.00 H new ATOM 0 HG LEU A 45 3.722 5.981 9.183 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.840 8.032 8.130 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.149 6.565 7.396 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.185 7.525 8.544 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.490 8.055 10.500 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.857 7.551 10.995 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.274 6.605 11.510 1.00 0.00 H new ATOM 716 N GLU A 46 0.421 3.366 11.996 1.00 0.00 N ATOM 717 CA GLU A 46 -0.668 2.463 12.306 1.00 0.00 C ATOM 718 C GLU A 46 -1.747 2.608 11.251 1.00 0.00 C ATOM 719 O GLU A 46 -2.167 3.721 10.936 1.00 0.00 O ATOM 720 CB GLU A 46 -1.219 2.734 13.706 1.00 0.00 C ATOM 721 CG GLU A 46 -0.157 2.607 14.787 1.00 0.00 C ATOM 722 CD GLU A 46 -0.727 2.602 16.190 1.00 0.00 C ATOM 723 OE1 GLU A 46 -1.013 3.692 16.728 1.00 0.00 O ATOM 724 OE2 GLU A 46 -0.865 1.508 16.773 1.00 0.00 O ATOM 0 H GLU A 46 0.449 4.209 12.570 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.301 1.437 12.299 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.645 3.737 13.737 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.030 2.036 13.915 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.405 1.687 14.628 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.549 3.432 14.692 1.00 0.00 H new ATOM 731 N ILE A 47 -2.186 1.481 10.710 1.00 0.00 N ATOM 732 CA ILE A 47 -3.070 1.465 9.546 1.00 0.00 C ATOM 733 C ILE A 47 -4.386 2.203 9.815 1.00 0.00 C ATOM 734 O ILE A 47 -5.063 2.641 8.886 1.00 0.00 O ATOM 735 CB ILE A 47 -3.355 0.012 9.097 1.00 0.00 C ATOM 736 CG1 ILE A 47 -3.907 -0.011 7.670 1.00 0.00 C ATOM 737 CG2 ILE A 47 -4.321 -0.673 10.058 1.00 0.00 C ATOM 738 CD1 ILE A 47 -3.999 -1.399 7.075 1.00 0.00 C ATOM 0 H ILE A 47 -1.943 0.555 11.061 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.554 1.991 8.743 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.415 -0.539 9.111 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.898 0.443 7.666 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.272 0.606 7.034 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.506 -1.693 9.722 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.887 -0.693 11.057 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.261 -0.123 10.082 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.399 -1.335 6.063 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.007 -1.849 7.046 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.658 -2.014 7.687 1.00 0.00 H new ATOM 750 N GLN A 48 -4.727 2.360 11.087 1.00 0.00 N ATOM 751 CA GLN A 48 -5.954 3.042 11.469 1.00 0.00 C ATOM 752 C GLN A 48 -5.796 4.557 11.368 1.00 0.00 C ATOM 753 O GLN A 48 -6.765 5.273 11.117 1.00 0.00 O ATOM 754 CB GLN A 48 -6.345 2.679 12.901 1.00 0.00 C ATOM 755 CG GLN A 48 -6.510 1.189 13.147 1.00 0.00 C ATOM 756 CD GLN A 48 -6.963 0.889 14.563 1.00 0.00 C ATOM 757 OE1 GLN A 48 -6.675 1.644 15.492 1.00 0.00 O ATOM 758 NE2 GLN A 48 -7.656 -0.221 14.745 1.00 0.00 N ATOM 0 H GLN A 48 -4.170 2.023 11.872 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.735 2.719 10.781 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.586 3.065 13.581 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.280 3.182 13.148 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.236 0.784 12.442 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.563 0.684 12.955 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.875 -0.821 13.950 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.972 -0.478 15.680 1.00 0.00 H new ATOM 767 N ASP A 49 -4.573 5.045 11.551 1.00 0.00 N ATOM 768 CA ASP A 49 -4.337 6.482 11.659 1.00 0.00 C ATOM 769 C ASP A 49 -3.620 7.038 10.439 1.00 0.00 C ATOM 770 O ASP A 49 -3.180 8.188 10.445 1.00 0.00 O ATOM 771 CB ASP A 49 -3.535 6.811 12.920 1.00 0.00 C ATOM 772 CG ASP A 49 -4.355 6.672 14.185 1.00 0.00 C ATOM 773 OD1 ASP A 49 -5.278 7.490 14.396 1.00 0.00 O ATOM 774 OD2 ASP A 49 -4.081 5.750 14.979 1.00 0.00 O ATOM 0 H ASP A 49 -3.734 4.471 11.627 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.317 6.956 11.720 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.670 6.151 12.978 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.154 7.830 12.848 1.00 0.00 H new ATOM 779 N ILE A 50 -3.501 6.234 9.395 1.00 0.00 N ATOM 780 CA ILE A 50 -2.880 6.696 8.164 1.00 0.00 C ATOM 781 C ILE A 50 -3.751 7.759 7.502 1.00 0.00 C ATOM 782 O ILE A 50 -4.942 7.543 7.266 1.00 0.00 O ATOM 783 CB ILE A 50 -2.620 5.535 7.180 1.00 0.00 C ATOM 784 CG1 ILE A 50 -1.651 4.534 7.810 1.00 0.00 C ATOM 785 CG2 ILE A 50 -2.061 6.061 5.860 1.00 0.00 C ATOM 786 CD1 ILE A 50 -1.325 3.358 6.920 1.00 0.00 C ATOM 0 H ILE A 50 -3.823 5.266 9.374 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.915 7.130 8.425 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.565 5.033 6.970 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.726 5.050 8.067 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.080 4.165 8.742 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.885 5.227 5.181 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.776 6.750 5.411 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.122 6.583 6.045 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.633 2.693 7.436 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.241 2.816 6.683 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.866 3.716 5.998 1.00 0.00 H new ATOM 798 N GLU A 51 -3.154 8.910 7.231 1.00 0.00 N ATOM 799 CA GLU A 51 -3.879 10.034 6.654 1.00 0.00 C ATOM 800 C GLU A 51 -3.894 9.948 5.127 1.00 0.00 C ATOM 801 O GLU A 51 -3.010 9.332 4.523 1.00 0.00 O ATOM 802 CB GLU A 51 -3.258 11.363 7.099 1.00 0.00 C ATOM 803 CG GLU A 51 -1.793 11.509 6.728 1.00 0.00 C ATOM 804 CD GLU A 51 -1.360 12.955 6.643 1.00 0.00 C ATOM 805 OE1 GLU A 51 -1.791 13.647 5.698 1.00 0.00 O ATOM 806 OE2 GLU A 51 -0.579 13.401 7.504 1.00 0.00 O ATOM 0 H GLU A 51 -2.165 9.091 7.402 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.907 9.989 7.013 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.820 12.183 6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.361 11.457 8.180 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.181 10.992 7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.614 11.022 5.769 1.00 0.00 H new ATOM 813 N PRO A 52 -4.898 10.575 4.487 1.00 0.00 N ATOM 814 CA PRO A 52 -5.062 10.549 3.028 1.00 0.00 C ATOM 815 C PRO A 52 -3.831 11.052 2.274 1.00 0.00 C ATOM 816 O PRO A 52 -3.420 10.453 1.282 1.00 0.00 O ATOM 817 CB PRO A 52 -6.257 11.481 2.774 1.00 0.00 C ATOM 818 CG PRO A 52 -6.435 12.255 4.035 1.00 0.00 C ATOM 819 CD PRO A 52 -5.966 11.353 5.137 1.00 0.00 C ATOM 0 HA PRO A 52 -5.211 9.530 2.670 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.065 12.144 1.931 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.155 10.911 2.533 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.856 13.178 4.012 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.478 12.536 4.177 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.593 11.918 5.991 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.768 10.712 5.504 1.00 0.00 H new ATOM 827 N MET A 53 -3.230 12.136 2.754 1.00 0.00 N ATOM 828 CA MET A 53 -2.104 12.747 2.054 1.00 0.00 C ATOM 829 C MET A 53 -0.807 11.986 2.307 1.00 0.00 C ATOM 830 O MET A 53 0.175 12.167 1.589 1.00 0.00 O ATOM 831 CB MET A 53 -1.940 14.217 2.449 1.00 0.00 C ATOM 832 CG MET A 53 -3.071 15.109 1.963 1.00 0.00 C ATOM 833 SD MET A 53 -2.758 16.859 2.267 1.00 0.00 S ATOM 834 CE MET A 53 -4.244 17.587 1.578 1.00 0.00 C ATOM 0 H MET A 53 -3.500 12.607 3.618 1.00 0.00 H new ATOM 0 HA MET A 53 -2.324 12.697 0.988 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.874 14.287 3.535 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.997 14.589 2.048 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.219 14.951 0.895 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.997 14.818 2.460 1.00 0.00 H new ATOM 0 HE1 MET A 53 -4.203 18.671 1.689 1.00 0.00 H new ATOM 0 HE2 MET A 53 -4.317 17.333 0.521 1.00 0.00 H new ATOM 0 HE3 MET A 53 -5.116 17.201 2.105 1.00 0.00 H new ATOM 844 N GLN A 54 -0.804 11.128 3.320 1.00 0.00 N ATOM 845 CA GLN A 54 0.364 10.305 3.601 1.00 0.00 C ATOM 846 C GLN A 54 0.322 9.055 2.734 1.00 0.00 C ATOM 847 O GLN A 54 1.346 8.592 2.235 1.00 0.00 O ATOM 848 CB GLN A 54 0.425 9.926 5.079 1.00 0.00 C ATOM 849 CG GLN A 54 1.792 9.441 5.527 1.00 0.00 C ATOM 850 CD GLN A 54 2.881 10.465 5.285 1.00 0.00 C ATOM 851 OE1 GLN A 54 2.636 11.672 5.304 1.00 0.00 O ATOM 852 NE2 GLN A 54 4.095 9.994 5.075 1.00 0.00 N ATOM 0 H GLN A 54 -1.590 10.985 3.955 1.00 0.00 H new ATOM 0 HA GLN A 54 1.261 10.878 3.368 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.141 10.791 5.679 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.310 9.146 5.276 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.757 9.197 6.589 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.039 8.521 4.997 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.257 8.987 5.067 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.872 10.637 4.921 1.00 0.00 H new ATOM 861 N LEU A 55 -0.876 8.520 2.542 1.00 0.00 N ATOM 862 CA LEU A 55 -1.062 7.424 1.607 1.00 0.00 C ATOM 863 C LEU A 55 -0.851 7.949 0.190 1.00 0.00 C ATOM 864 O LEU A 55 -0.330 7.253 -0.683 1.00 0.00 O ATOM 865 CB LEU A 55 -2.458 6.810 1.763 1.00 0.00 C ATOM 866 CG LEU A 55 -2.705 5.533 0.953 1.00 0.00 C ATOM 867 CD1 LEU A 55 -1.688 4.465 1.324 1.00 0.00 C ATOM 868 CD2 LEU A 55 -4.121 5.023 1.183 1.00 0.00 C ATOM 0 H LEU A 55 -1.725 8.825 3.017 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.336 6.638 1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.624 6.590 2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.199 7.554 1.472 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.590 5.767 -0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.877 3.564 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.683 4.830 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.774 4.234 2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.280 4.116 0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.261 4.804 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.837 5.784 0.872 1.00 0.00 H new ATOM 880 N LEU A 56 -1.237 9.205 -0.019 1.00 0.00 N ATOM 881 CA LEU A 56 -0.984 9.876 -1.283 1.00 0.00 C ATOM 882 C LEU A 56 0.506 10.135 -1.447 1.00 0.00 C ATOM 883 O LEU A 56 0.995 10.223 -2.562 1.00 0.00 O ATOM 884 CB LEU A 56 -1.750 11.197 -1.377 1.00 0.00 C ATOM 885 CG LEU A 56 -1.588 11.933 -2.709 1.00 0.00 C ATOM 886 CD1 LEU A 56 -2.239 11.160 -3.837 1.00 0.00 C ATOM 887 CD2 LEU A 56 -2.150 13.338 -2.619 1.00 0.00 C ATOM 0 H LEU A 56 -1.725 9.775 0.672 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.332 9.223 -2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.809 11.000 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.418 11.853 -0.572 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.523 12.009 -2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.110 11.704 -4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.774 10.178 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.303 11.041 -3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.024 13.842 -3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.210 13.291 -2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.620 13.893 -1.845 1.00 0.00 H new ATOM 899 N GLU A 57 1.219 10.259 -0.332 1.00 0.00 N ATOM 900 CA GLU A 57 2.666 10.440 -0.362 1.00 0.00 C ATOM 901 C GLU A 57 3.319 9.195 -0.936 1.00 0.00 C ATOM 902 O GLU A 57 4.295 9.276 -1.680 1.00 0.00 O ATOM 903 CB GLU A 57 3.198 10.732 1.045 1.00 0.00 C ATOM 904 CG GLU A 57 4.661 11.147 1.082 1.00 0.00 C ATOM 905 CD GLU A 57 4.958 12.071 2.242 1.00 0.00 C ATOM 906 OE1 GLU A 57 4.493 13.232 2.200 1.00 0.00 O ATOM 907 OE2 GLU A 57 5.644 11.652 3.197 1.00 0.00 O ATOM 0 H GLU A 57 0.817 10.237 0.605 1.00 0.00 H new ATOM 0 HA GLU A 57 2.909 11.292 -0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.596 11.523 1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.068 9.843 1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.288 10.259 1.156 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.921 11.643 0.147 1.00 0.00 H new ATOM 914 N VAL A 58 2.754 8.045 -0.598 1.00 0.00 N ATOM 915 CA VAL A 58 3.170 6.778 -1.183 1.00 0.00 C ATOM 916 C VAL A 58 2.991 6.799 -2.699 1.00 0.00 C ATOM 917 O VAL A 58 3.913 6.482 -3.450 1.00 0.00 O ATOM 918 CB VAL A 58 2.364 5.604 -0.587 1.00 0.00 C ATOM 919 CG1 VAL A 58 2.536 4.343 -1.417 1.00 0.00 C ATOM 920 CG2 VAL A 58 2.778 5.350 0.851 1.00 0.00 C ATOM 0 H VAL A 58 2.000 7.963 0.084 1.00 0.00 H new ATOM 0 HA VAL A 58 4.225 6.637 -0.949 1.00 0.00 H new ATOM 0 HB VAL A 58 1.309 5.879 -0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.957 3.533 -0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.185 4.525 -2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.590 4.064 -1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.199 4.519 1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.839 5.104 0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.593 6.244 1.446 1.00 0.00 H new ATOM 930 N ILE A 59 1.806 7.183 -3.147 1.00 0.00 N ATOM 931 CA ILE A 59 1.524 7.224 -4.577 1.00 0.00 C ATOM 932 C ILE A 59 2.333 8.339 -5.248 1.00 0.00 C ATOM 933 O ILE A 59 2.822 8.178 -6.364 1.00 0.00 O ATOM 934 CB ILE A 59 0.024 7.426 -4.864 1.00 0.00 C ATOM 935 CG1 ILE A 59 -0.826 6.441 -4.050 1.00 0.00 C ATOM 936 CG2 ILE A 59 -0.257 7.274 -6.351 1.00 0.00 C ATOM 937 CD1 ILE A 59 -0.499 4.987 -4.309 1.00 0.00 C ATOM 0 H ILE A 59 1.030 7.468 -2.550 1.00 0.00 H new ATOM 0 HA ILE A 59 1.817 6.259 -4.991 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.248 8.437 -4.562 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.690 6.650 -2.989 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.878 6.612 -4.276 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.321 7.420 -6.537 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.314 8.018 -6.907 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.035 6.275 -6.676 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.142 4.355 -3.697 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.663 4.759 -5.362 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.544 4.798 -4.055 1.00 0.00 H new ATOM 949 N ARG A 60 2.472 9.465 -4.550 1.00 0.00 N ATOM 950 CA ARG A 60 3.318 10.564 -5.002 1.00 0.00 C ATOM 951 C ARG A 60 4.747 10.077 -5.207 1.00 0.00 C ATOM 952 O ARG A 60 5.434 10.508 -6.130 1.00 0.00 O ATOM 953 CB ARG A 60 3.288 11.712 -3.982 1.00 0.00 C ATOM 954 CG ARG A 60 4.177 12.887 -4.351 1.00 0.00 C ATOM 955 CD ARG A 60 3.958 14.081 -3.430 1.00 0.00 C ATOM 956 NE ARG A 60 4.377 13.833 -2.046 1.00 0.00 N ATOM 957 CZ ARG A 60 5.471 14.367 -1.495 1.00 0.00 C ATOM 958 NH1 ARG A 60 6.279 15.129 -2.222 1.00 0.00 N ATOM 959 NH2 ARG A 60 5.754 14.152 -0.216 1.00 0.00 N ATOM 0 H ARG A 60 2.004 9.639 -3.661 1.00 0.00 H new ATOM 0 HA ARG A 60 2.934 10.933 -5.953 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.262 12.064 -3.877 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.595 11.328 -3.009 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.222 12.580 -4.304 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.978 13.183 -5.381 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.508 14.937 -3.820 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.902 14.349 -3.440 1.00 0.00 H new ATOM 0 HE ARG A 60 3.800 13.218 -1.472 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.065 15.308 -3.203 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.114 15.536 -1.799 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.134 13.576 0.354 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.591 14.563 0.197 1.00 0.00 H new ATOM 973 N ARG A 61 5.177 9.169 -4.341 1.00 0.00 N ATOM 974 CA ARG A 61 6.486 8.547 -4.460 1.00 0.00 C ATOM 975 C ARG A 61 6.612 7.821 -5.800 1.00 0.00 C ATOM 976 O ARG A 61 7.603 7.980 -6.510 1.00 0.00 O ATOM 977 CB ARG A 61 6.710 7.566 -3.303 1.00 0.00 C ATOM 978 CG ARG A 61 8.017 6.802 -3.398 1.00 0.00 C ATOM 979 CD ARG A 61 9.209 7.734 -3.297 1.00 0.00 C ATOM 980 NE ARG A 61 10.445 7.087 -3.733 1.00 0.00 N ATOM 981 CZ ARG A 61 11.507 7.746 -4.195 1.00 0.00 C ATOM 982 NH1 ARG A 61 11.490 9.072 -4.278 1.00 0.00 N ATOM 983 NH2 ARG A 61 12.583 7.082 -4.590 1.00 0.00 N ATOM 0 H ARG A 61 4.632 8.846 -3.542 1.00 0.00 H new ATOM 0 HA ARG A 61 7.247 9.326 -4.415 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.688 8.116 -2.362 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.884 6.855 -3.276 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.065 6.059 -2.602 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.056 6.260 -4.343 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.029 8.621 -3.905 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.320 8.071 -2.266 1.00 0.00 H new ATOM 0 HE ARG A 61 10.498 6.070 -3.680 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.661 9.591 -3.987 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.306 9.571 -4.632 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.600 6.063 -4.541 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.394 7.589 -4.943 1.00 0.00 H new ATOM 997 N PHE A 62 5.596 7.039 -6.144 1.00 0.00 N ATOM 998 CA PHE A 62 5.596 6.307 -7.408 1.00 0.00 C ATOM 999 C PHE A 62 5.433 7.250 -8.598 1.00 0.00 C ATOM 1000 O PHE A 62 5.978 6.995 -9.675 1.00 0.00 O ATOM 1001 CB PHE A 62 4.501 5.239 -7.416 1.00 0.00 C ATOM 1002 CG PHE A 62 4.841 4.023 -6.601 1.00 0.00 C ATOM 1003 CD1 PHE A 62 4.563 3.979 -5.245 1.00 0.00 C ATOM 1004 CD2 PHE A 62 5.442 2.923 -7.195 1.00 0.00 C ATOM 1005 CE1 PHE A 62 4.878 2.861 -4.495 1.00 0.00 C ATOM 1006 CE2 PHE A 62 5.758 1.802 -6.449 1.00 0.00 C ATOM 1007 CZ PHE A 62 5.476 1.772 -5.098 1.00 0.00 C ATOM 0 H PHE A 62 4.765 6.895 -5.570 1.00 0.00 H new ATOM 0 HA PHE A 62 6.563 5.813 -7.503 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.577 5.675 -7.035 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.309 4.935 -8.445 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.095 4.827 -4.768 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.666 2.942 -8.251 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.657 2.839 -3.438 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.225 0.951 -6.923 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.723 0.898 -4.513 1.00 0.00 H new ATOM 1017 N GLU A 63 4.692 8.337 -8.408 1.00 0.00 N ATOM 1018 CA GLU A 63 4.557 9.354 -9.445 1.00 0.00 C ATOM 1019 C GLU A 63 5.903 10.019 -9.706 1.00 0.00 C ATOM 1020 O GLU A 63 6.318 10.185 -10.854 1.00 0.00 O ATOM 1021 CB GLU A 63 3.533 10.421 -9.041 1.00 0.00 C ATOM 1022 CG GLU A 63 3.373 11.513 -10.089 1.00 0.00 C ATOM 1023 CD GLU A 63 2.513 12.664 -9.620 1.00 0.00 C ATOM 1024 OE1 GLU A 63 1.282 12.612 -9.817 1.00 0.00 O ATOM 1025 OE2 GLU A 63 3.070 13.639 -9.072 1.00 0.00 O ATOM 0 H GLU A 63 4.178 8.536 -7.550 1.00 0.00 H new ATOM 0 HA GLU A 63 4.209 8.862 -10.353 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.568 9.945 -8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.839 10.872 -8.097 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.358 11.891 -10.364 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.934 11.083 -10.989 1.00 0.00 H new ATOM 1032 N ASP A 64 6.579 10.382 -8.624 1.00 0.00 N ATOM 1033 CA ASP A 64 7.892 11.013 -8.694 1.00 0.00 C ATOM 1034 C ASP A 64 8.922 10.045 -9.267 1.00 0.00 C ATOM 1035 O ASP A 64 9.930 10.454 -9.845 1.00 0.00 O ATOM 1036 CB ASP A 64 8.313 11.487 -7.300 1.00 0.00 C ATOM 1037 CG ASP A 64 9.664 12.166 -7.288 1.00 0.00 C ATOM 1038 OD1 ASP A 64 9.787 13.273 -7.853 1.00 0.00 O ATOM 1039 OD2 ASP A 64 10.605 11.605 -6.687 1.00 0.00 O ATOM 0 H ASP A 64 6.234 10.248 -7.674 1.00 0.00 H new ATOM 0 HA ASP A 64 7.835 11.876 -9.357 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.562 12.178 -6.915 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.336 10.632 -6.624 1.00 0.00 H new ATOM 1044 N ARG A 65 8.654 8.755 -9.111 1.00 0.00 N ATOM 1045 CA ARG A 65 9.470 7.713 -9.722 1.00 0.00 C ATOM 1046 C ARG A 65 9.389 7.773 -11.243 1.00 0.00 C ATOM 1047 O ARG A 65 10.376 7.532 -11.939 1.00 0.00 O ATOM 1048 CB ARG A 65 8.990 6.329 -9.286 1.00 0.00 C ATOM 1049 CG ARG A 65 9.547 5.829 -7.967 1.00 0.00 C ATOM 1050 CD ARG A 65 8.961 4.465 -7.651 1.00 0.00 C ATOM 1051 NE ARG A 65 9.780 3.696 -6.720 1.00 0.00 N ATOM 1052 CZ ARG A 65 10.485 2.623 -7.080 1.00 0.00 C ATOM 1053 NH1 ARG A 65 10.585 2.289 -8.360 1.00 0.00 N ATOM 1054 NH2 ARG A 65 11.113 1.897 -6.165 1.00 0.00 N ATOM 0 H ARG A 65 7.870 8.403 -8.561 1.00 0.00 H new ATOM 0 HA ARG A 65 10.497 7.881 -9.397 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.902 6.346 -9.218 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.249 5.612 -10.065 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.634 5.766 -8.020 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.308 6.532 -7.170 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.964 4.593 -7.230 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.846 3.901 -8.577 1.00 0.00 H new ATOM 0 HE ARG A 65 9.815 3.994 -5.745 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.122 2.854 -9.072 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.125 1.468 -8.632 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.058 2.158 -5.181 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.651 1.077 -6.446 1.00 0.00 H new ATOM 1068 N GLY A 66 8.206 8.090 -11.749 1.00 0.00 N ATOM 1069 CA GLY A 66 7.951 7.951 -13.165 1.00 0.00 C ATOM 1070 C GLY A 66 7.230 6.648 -13.442 1.00 0.00 C ATOM 1071 O GLY A 66 6.884 6.334 -14.581 1.00 0.00 O ATOM 0 H GLY A 66 7.419 8.441 -11.203 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.350 8.789 -13.518 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.891 7.979 -13.716 1.00 0.00 H new ATOM 1075 N ALA A 67 7.005 5.890 -12.375 1.00 0.00 N ATOM 1076 CA ALA A 67 6.293 4.627 -12.455 1.00 0.00 C ATOM 1077 C ALA A 67 4.804 4.866 -12.256 1.00 0.00 C ATOM 1078 O ALA A 67 4.242 4.542 -11.210 1.00 0.00 O ATOM 1079 CB ALA A 67 6.830 3.650 -11.417 1.00 0.00 C ATOM 0 H ALA A 67 7.312 6.136 -11.434 1.00 0.00 H new ATOM 0 HA ALA A 67 6.448 4.189 -13.441 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.287 2.708 -11.489 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.890 3.472 -11.599 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.698 4.070 -10.420 1.00 0.00 H new ATOM 1085 N MET A 68 4.175 5.451 -13.264 1.00 0.00 N ATOM 1086 CA MET A 68 2.781 5.861 -13.167 1.00 0.00 C ATOM 1087 C MET A 68 1.858 4.652 -13.125 1.00 0.00 C ATOM 1088 O MET A 68 0.868 4.632 -12.393 1.00 0.00 O ATOM 1089 CB MET A 68 2.404 6.765 -14.346 1.00 0.00 C ATOM 1090 CG MET A 68 3.367 7.925 -14.565 1.00 0.00 C ATOM 1091 SD MET A 68 3.689 8.869 -13.059 1.00 0.00 S ATOM 1092 CE MET A 68 2.035 9.380 -12.605 1.00 0.00 C ATOM 0 H MET A 68 4.610 5.654 -14.164 1.00 0.00 H new ATOM 0 HA MET A 68 2.661 6.420 -12.239 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.362 6.163 -15.254 1.00 0.00 H new ATOM 0 HB3 MET A 68 1.403 7.163 -14.181 1.00 0.00 H new ATOM 0 HG2 MET A 68 4.309 7.539 -14.954 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.958 8.591 -15.324 1.00 0.00 H new ATOM 0 HE1 MET A 68 1.958 10.465 -12.673 1.00 0.00 H new ATOM 0 HE2 MET A 68 1.314 8.922 -13.282 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.824 9.064 -11.583 1.00 0.00 H new ATOM 1102 N GLU A 69 2.202 3.634 -13.894 1.00 0.00 N ATOM 1103 CA GLU A 69 1.400 2.421 -13.958 1.00 0.00 C ATOM 1104 C GLU A 69 1.456 1.673 -12.630 1.00 0.00 C ATOM 1105 O GLU A 69 0.448 1.142 -12.159 1.00 0.00 O ATOM 1106 CB GLU A 69 1.892 1.544 -15.106 1.00 0.00 C ATOM 1107 CG GLU A 69 1.745 2.218 -16.460 1.00 0.00 C ATOM 1108 CD GLU A 69 2.606 1.585 -17.528 1.00 0.00 C ATOM 1109 OE1 GLU A 69 3.837 1.792 -17.496 1.00 0.00 O ATOM 1110 OE2 GLU A 69 2.059 0.893 -18.406 1.00 0.00 O ATOM 0 H GLU A 69 3.033 3.622 -14.485 1.00 0.00 H new ATOM 0 HA GLU A 69 0.359 2.686 -14.144 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.939 1.291 -14.942 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.334 0.607 -15.108 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.701 2.176 -16.770 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.007 3.272 -16.366 1.00 0.00 H new ATOM 1117 N ARG A 70 2.633 1.657 -12.011 1.00 0.00 N ATOM 1118 CA ARG A 70 2.789 1.038 -10.703 1.00 0.00 C ATOM 1119 C ARG A 70 2.275 1.957 -9.598 1.00 0.00 C ATOM 1120 O ARG A 70 2.015 1.507 -8.485 1.00 0.00 O ATOM 1121 CB ARG A 70 4.247 0.640 -10.448 1.00 0.00 C ATOM 1122 CG ARG A 70 4.701 -0.537 -11.298 1.00 0.00 C ATOM 1123 CD ARG A 70 6.025 -1.115 -10.822 1.00 0.00 C ATOM 1124 NE ARG A 70 7.163 -0.238 -11.097 1.00 0.00 N ATOM 1125 CZ ARG A 70 8.391 -0.455 -10.620 1.00 0.00 C ATOM 1126 NH1 ARG A 70 8.609 -1.475 -9.794 1.00 0.00 N ATOM 1127 NH2 ARG A 70 9.397 0.344 -10.958 1.00 0.00 N ATOM 0 H ARG A 70 3.487 2.064 -12.393 1.00 0.00 H new ATOM 0 HA ARG A 70 2.188 0.129 -10.693 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.892 1.496 -10.649 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.370 0.389 -9.395 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.938 -1.315 -11.275 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.799 -0.217 -12.335 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.969 -1.303 -9.750 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.190 -2.078 -11.306 1.00 0.00 H new ATOM 0 HE ARG A 70 7.010 0.582 -11.684 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.839 -2.089 -9.527 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.546 -1.643 -9.428 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.234 1.131 -11.587 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.332 0.171 -10.589 1.00 0.00 H new ATOM 1141 N ALA A 71 2.117 3.242 -9.909 1.00 0.00 N ATOM 1142 CA ALA A 71 1.524 4.190 -8.968 1.00 0.00 C ATOM 1143 C ALA A 71 0.047 3.879 -8.773 1.00 0.00 C ATOM 1144 O ALA A 71 -0.457 3.859 -7.649 1.00 0.00 O ATOM 1145 CB ALA A 71 1.705 5.621 -9.455 1.00 0.00 C ATOM 0 H ALA A 71 2.391 3.650 -10.803 1.00 0.00 H new ATOM 0 HA ALA A 71 2.035 4.090 -8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.256 6.309 -8.739 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.768 5.841 -9.551 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.221 5.739 -10.424 1.00 0.00 H new ATOM 1151 N ASN A 72 -0.640 3.628 -9.881 1.00 0.00 N ATOM 1152 CA ASN A 72 -2.037 3.217 -9.837 1.00 0.00 C ATOM 1153 C ASN A 72 -2.158 1.855 -9.167 1.00 0.00 C ATOM 1154 O ASN A 72 -3.110 1.594 -8.426 1.00 0.00 O ATOM 1155 CB ASN A 72 -2.636 3.165 -11.249 1.00 0.00 C ATOM 1156 CG ASN A 72 -2.876 4.543 -11.842 1.00 0.00 C ATOM 1157 OD1 ASN A 72 -3.952 5.118 -11.687 1.00 0.00 O ATOM 1158 ND2 ASN A 72 -1.877 5.080 -12.524 1.00 0.00 N ATOM 0 H ASN A 72 -0.252 3.702 -10.821 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.594 3.952 -9.256 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.966 2.606 -11.902 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.579 2.619 -11.218 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.984 6.003 -12.944 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.000 4.570 -12.630 1.00 0.00 H new ATOM 1165 N LYS A 73 -1.177 0.993 -9.417 1.00 0.00 N ATOM 1166 CA LYS A 73 -1.150 -0.330 -8.813 1.00 0.00 C ATOM 1167 C LYS A 73 -0.925 -0.230 -7.306 1.00 0.00 C ATOM 1168 O LYS A 73 -1.544 -0.964 -6.533 1.00 0.00 O ATOM 1169 CB LYS A 73 -0.064 -1.195 -9.458 1.00 0.00 C ATOM 1170 CG LYS A 73 -0.055 -2.629 -8.955 1.00 0.00 C ATOM 1171 CD LYS A 73 0.867 -3.509 -9.782 1.00 0.00 C ATOM 1172 CE LYS A 73 0.825 -4.950 -9.304 1.00 0.00 C ATOM 1173 NZ LYS A 73 1.587 -5.858 -10.198 1.00 0.00 N ATOM 0 H LYS A 73 -0.390 1.190 -10.035 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.117 -0.803 -8.986 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.207 -1.198 -10.539 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.910 -0.745 -9.266 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.263 -2.647 -7.913 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.067 -3.032 -8.986 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.574 -3.462 -10.831 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.888 -3.132 -9.719 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.233 -5.009 -8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.211 -5.283 -9.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.603 -6.814 -9.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.131 -5.888 -11.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.561 -5.509 -10.299 1.00 0.00 H new ATOM 1187 N ALA A 74 -0.044 0.684 -6.893 1.00 0.00 N ATOM 1188 CA ALA A 74 0.200 0.934 -5.475 1.00 0.00 C ATOM 1189 C ALA A 74 -1.106 1.249 -4.761 1.00 0.00 C ATOM 1190 O ALA A 74 -1.371 0.736 -3.677 1.00 0.00 O ATOM 1191 CB ALA A 74 1.198 2.075 -5.283 1.00 0.00 C ATOM 0 H ALA A 74 0.512 1.263 -7.523 1.00 0.00 H new ATOM 0 HA ALA A 74 0.630 0.031 -5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.361 2.240 -4.218 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.143 1.815 -5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.802 2.985 -5.735 1.00 0.00 H new ATOM 1197 N ARG A 75 -1.926 2.078 -5.400 1.00 0.00 N ATOM 1198 CA ARG A 75 -3.221 2.466 -4.852 1.00 0.00 C ATOM 1199 C ARG A 75 -4.092 1.240 -4.589 1.00 0.00 C ATOM 1200 O ARG A 75 -4.613 1.059 -3.486 1.00 0.00 O ATOM 1201 CB ARG A 75 -3.945 3.403 -5.823 1.00 0.00 C ATOM 1202 CG ARG A 75 -5.236 3.977 -5.264 1.00 0.00 C ATOM 1203 CD ARG A 75 -6.143 4.509 -6.363 1.00 0.00 C ATOM 1204 NE ARG A 75 -5.471 5.473 -7.236 1.00 0.00 N ATOM 1205 CZ ARG A 75 -5.687 5.555 -8.551 1.00 0.00 C ATOM 1206 NH1 ARG A 75 -6.544 4.730 -9.141 1.00 0.00 N ATOM 1207 NH2 ARG A 75 -5.053 6.465 -9.279 1.00 0.00 N ATOM 0 H ARG A 75 -1.714 2.497 -6.305 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.046 2.981 -3.908 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.278 4.223 -6.090 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.166 2.860 -6.742 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.762 3.206 -4.701 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.003 4.780 -4.565 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.507 3.675 -6.963 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.015 4.981 -5.911 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.801 6.118 -6.817 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.040 4.030 -8.589 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.706 4.796 -10.146 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.396 7.107 -8.834 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.222 6.523 -10.283 1.00 0.00 H new ATOM 1221 N ARG A 76 -4.235 0.399 -5.609 1.00 0.00 N ATOM 1222 CA ARG A 76 -5.092 -0.780 -5.524 1.00 0.00 C ATOM 1223 C ARG A 76 -4.578 -1.767 -4.477 1.00 0.00 C ATOM 1224 O ARG A 76 -5.349 -2.285 -3.670 1.00 0.00 O ATOM 1225 CB ARG A 76 -5.191 -1.466 -6.890 1.00 0.00 C ATOM 1226 CG ARG A 76 -6.038 -2.729 -6.875 1.00 0.00 C ATOM 1227 CD ARG A 76 -6.157 -3.341 -8.261 1.00 0.00 C ATOM 1228 NE ARG A 76 -6.873 -2.467 -9.189 1.00 0.00 N ATOM 1229 CZ ARG A 76 -7.333 -2.856 -10.377 1.00 0.00 C ATOM 1230 NH1 ARG A 76 -7.178 -4.112 -10.776 1.00 0.00 N ATOM 1231 NH2 ARG A 76 -7.957 -1.988 -11.160 1.00 0.00 N ATOM 0 H ARG A 76 -3.766 0.513 -6.508 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.084 -0.449 -5.218 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.612 -0.764 -7.610 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.188 -1.715 -7.236 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.596 -3.455 -6.193 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.032 -2.496 -6.493 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.161 -3.546 -8.653 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.675 -4.297 -8.191 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.030 -1.499 -8.909 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.705 -4.784 -10.172 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.532 -4.405 -11.687 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.084 -1.024 -10.853 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.310 -2.284 -12.070 1.00 0.00 H new ATOM 1245 N ARG A 77 -3.274 -2.018 -4.489 1.00 0.00 N ATOM 1246 CA ARG A 77 -2.674 -2.978 -3.570 1.00 0.00 C ATOM 1247 C ARG A 77 -2.785 -2.497 -2.125 1.00 0.00 C ATOM 1248 O ARG A 77 -3.101 -3.282 -1.231 1.00 0.00 O ATOM 1249 CB ARG A 77 -1.209 -3.218 -3.931 1.00 0.00 C ATOM 1250 CG ARG A 77 -0.994 -3.866 -5.291 1.00 0.00 C ATOM 1251 CD ARG A 77 -0.881 -5.382 -5.197 1.00 0.00 C ATOM 1252 NE ARG A 77 -2.162 -6.056 -4.962 1.00 0.00 N ATOM 1253 CZ ARG A 77 -2.520 -7.186 -5.581 1.00 0.00 C ATOM 1254 NH1 ARG A 77 -1.721 -7.715 -6.501 1.00 0.00 N ATOM 1255 NH2 ARG A 77 -3.670 -7.784 -5.294 1.00 0.00 N ATOM 0 H ARG A 77 -2.613 -1.571 -5.124 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.220 -3.917 -3.662 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.681 -2.265 -3.909 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.758 -3.850 -3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.822 -3.606 -5.950 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.088 -3.464 -5.744 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.444 -5.763 -6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.193 -5.637 -4.391 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.812 -5.643 -4.293 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.838 -7.259 -6.733 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.990 -8.577 -6.976 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.293 -7.382 -4.594 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.931 -8.646 -5.774 1.00 0.00 H new ATOM 1269 N CYS A 78 -2.538 -1.207 -1.897 1.00 0.00 N ATOM 1270 CA CYS A 78 -2.647 -0.640 -0.555 1.00 0.00 C ATOM 1271 C CYS A 78 -4.077 -0.750 -0.043 1.00 0.00 C ATOM 1272 O CYS A 78 -4.302 -1.164 1.093 1.00 0.00 O ATOM 1273 CB CYS A 78 -2.190 0.823 -0.535 1.00 0.00 C ATOM 1274 SG CYS A 78 -0.443 1.058 -0.936 1.00 0.00 S ATOM 0 H CYS A 78 -2.263 -0.540 -2.618 1.00 0.00 H new ATOM 0 HA CYS A 78 -1.992 -1.211 0.103 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.794 1.390 -1.243 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.384 1.239 0.454 1.00 0.00 H new ATOM 0 HG CYS A 78 -0.284 1.015 -2.226 1.00 0.00 H new ATOM 1280 N GLY A 79 -5.041 -0.402 -0.896 1.00 0.00 N ATOM 1281 CA GLY A 79 -6.443 -0.521 -0.526 1.00 0.00 C ATOM 1282 C GLY A 79 -6.810 -1.940 -0.144 1.00 0.00 C ATOM 1283 O GLY A 79 -7.635 -2.161 0.744 1.00 0.00 O ATOM 0 H GLY A 79 -4.876 -0.040 -1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.655 0.146 0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.067 -0.197 -1.359 1.00 0.00 H new ATOM 1287 N GLU A 80 -6.183 -2.905 -0.809 1.00 0.00 N ATOM 1288 CA GLU A 80 -6.403 -4.309 -0.495 1.00 0.00 C ATOM 1289 C GLU A 80 -5.853 -4.629 0.892 1.00 0.00 C ATOM 1290 O GLU A 80 -6.473 -5.368 1.652 1.00 0.00 O ATOM 1291 CB GLU A 80 -5.749 -5.213 -1.542 1.00 0.00 C ATOM 1292 CG GLU A 80 -6.183 -6.666 -1.432 1.00 0.00 C ATOM 1293 CD GLU A 80 -5.469 -7.571 -2.409 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -5.709 -7.447 -3.629 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -4.672 -8.420 -1.963 1.00 0.00 O ATOM 0 H GLU A 80 -5.520 -2.739 -1.567 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.477 -4.497 -0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.993 -4.842 -2.537 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.666 -5.155 -1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.999 -7.019 -0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.258 -6.732 -1.602 1.00 0.00 H new ATOM 1302 N VAL A 81 -4.695 -4.058 1.221 1.00 0.00 N ATOM 1303 CA VAL A 81 -4.096 -4.234 2.544 1.00 0.00 C ATOM 1304 C VAL A 81 -5.002 -3.644 3.624 1.00 0.00 C ATOM 1305 O VAL A 81 -5.234 -4.265 4.662 1.00 0.00 O ATOM 1306 CB VAL A 81 -2.697 -3.580 2.637 1.00 0.00 C ATOM 1307 CG1 VAL A 81 -2.121 -3.732 4.037 1.00 0.00 C ATOM 1308 CG2 VAL A 81 -1.750 -4.184 1.612 1.00 0.00 C ATOM 0 H VAL A 81 -4.152 -3.469 0.589 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.983 -5.306 2.703 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.809 -2.517 2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.137 -3.265 4.078 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.782 -3.250 4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.030 -4.791 4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.772 -3.709 1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.650 -5.254 1.795 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.147 -4.022 0.610 1.00 0.00 H new ATOM 1318 N PHE A 82 -5.518 -2.446 3.366 1.00 0.00 N ATOM 1319 CA PHE A 82 -6.447 -1.799 4.288 1.00 0.00 C ATOM 1320 C PHE A 82 -7.681 -2.668 4.506 1.00 0.00 C ATOM 1321 O PHE A 82 -8.097 -2.895 5.641 1.00 0.00 O ATOM 1322 CB PHE A 82 -6.864 -0.418 3.768 1.00 0.00 C ATOM 1323 CG PHE A 82 -5.843 0.663 4.010 1.00 0.00 C ATOM 1324 CD1 PHE A 82 -4.821 0.895 3.106 1.00 0.00 C ATOM 1325 CD2 PHE A 82 -5.913 1.452 5.147 1.00 0.00 C ATOM 1326 CE1 PHE A 82 -3.889 1.889 3.326 1.00 0.00 C ATOM 1327 CE2 PHE A 82 -4.984 2.450 5.374 1.00 0.00 C ATOM 1328 CZ PHE A 82 -3.971 2.668 4.464 1.00 0.00 C ATOM 0 H PHE A 82 -5.309 -1.904 2.528 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.935 -1.670 5.241 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.057 -0.488 2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.802 -0.130 4.243 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.752 0.289 2.215 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.703 1.285 5.864 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.098 2.057 2.610 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.051 3.059 6.264 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.243 3.446 4.641 1.00 0.00 H new ATOM 1338 N ARG A 83 -8.249 -3.169 3.415 1.00 0.00 N ATOM 1339 CA ARG A 83 -9.433 -4.013 3.495 1.00 0.00 C ATOM 1340 C ARG A 83 -9.095 -5.352 4.148 1.00 0.00 C ATOM 1341 O ARG A 83 -9.913 -5.926 4.867 1.00 0.00 O ATOM 1342 CB ARG A 83 -10.032 -4.226 2.104 1.00 0.00 C ATOM 1343 CG ARG A 83 -11.351 -4.978 2.117 1.00 0.00 C ATOM 1344 CD ARG A 83 -11.959 -5.062 0.727 1.00 0.00 C ATOM 1345 NE ARG A 83 -11.079 -5.745 -0.221 1.00 0.00 N ATOM 1346 CZ ARG A 83 -11.410 -6.865 -0.861 1.00 0.00 C ATOM 1347 NH1 ARG A 83 -12.589 -7.436 -0.635 1.00 0.00 N ATOM 1348 NH2 ARG A 83 -10.561 -7.412 -1.722 1.00 0.00 N ATOM 0 H ARG A 83 -7.909 -3.005 2.467 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.175 -3.509 4.115 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.181 -3.256 1.630 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.317 -4.774 1.490 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.194 -5.983 2.508 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.048 -4.480 2.791 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.912 -5.589 0.780 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.171 -4.056 0.364 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.160 -5.341 -0.402 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.240 -7.016 0.029 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.843 -8.294 -1.125 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.656 -6.975 -1.893 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.814 -8.270 -2.212 1.00 0.00 H new ATOM 1362 N TYR A 84 -7.881 -5.836 3.905 1.00 0.00 N ATOM 1363 CA TYR A 84 -7.394 -7.061 4.529 1.00 0.00 C ATOM 1364 C TYR A 84 -7.405 -6.897 6.043 1.00 0.00 C ATOM 1365 O TYR A 84 -7.790 -7.803 6.781 1.00 0.00 O ATOM 1366 CB TYR A 84 -5.971 -7.365 4.046 1.00 0.00 C ATOM 1367 CG TYR A 84 -5.527 -8.799 4.241 1.00 0.00 C ATOM 1368 CD1 TYR A 84 -4.890 -9.212 5.408 1.00 0.00 C ATOM 1369 CD2 TYR A 84 -5.727 -9.737 3.237 1.00 0.00 C ATOM 1370 CE1 TYR A 84 -4.468 -10.523 5.562 1.00 0.00 C ATOM 1371 CE2 TYR A 84 -5.306 -11.042 3.383 1.00 0.00 C ATOM 1372 CZ TYR A 84 -4.678 -11.431 4.545 1.00 0.00 C ATOM 1373 OH TYR A 84 -4.249 -12.733 4.680 1.00 0.00 O ATOM 0 H TYR A 84 -7.212 -5.394 3.275 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.044 -7.891 4.251 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.902 -7.119 2.986 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.276 -6.710 4.571 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -4.723 -8.501 6.204 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.222 -9.439 2.324 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -3.977 -10.832 6.473 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.468 -11.756 2.589 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.834 -13.326 4.164 1.00 0.00 H new ATOM 1383 N ALA A 85 -6.993 -5.720 6.491 1.00 0.00 N ATOM 1384 CA ALA A 85 -6.987 -5.391 7.904 1.00 0.00 C ATOM 1385 C ALA A 85 -8.410 -5.250 8.440 1.00 0.00 C ATOM 1386 O ALA A 85 -8.670 -5.528 9.605 1.00 0.00 O ATOM 1387 CB ALA A 85 -6.194 -4.121 8.147 1.00 0.00 C ATOM 0 H ALA A 85 -6.655 -4.971 5.886 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.507 -6.208 8.442 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.199 -3.887 9.212 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.167 -4.264 7.811 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.646 -3.298 7.593 1.00 0.00 H new ATOM 1393 N ILE A 86 -9.329 -4.812 7.589 1.00 0.00 N ATOM 1394 CA ILE A 86 -10.734 -4.723 7.972 1.00 0.00 C ATOM 1395 C ILE A 86 -11.288 -6.118 8.252 1.00 0.00 C ATOM 1396 O ILE A 86 -11.928 -6.355 9.280 1.00 0.00 O ATOM 1397 CB ILE A 86 -11.587 -4.038 6.879 1.00 0.00 C ATOM 1398 CG1 ILE A 86 -11.072 -2.621 6.612 1.00 0.00 C ATOM 1399 CG2 ILE A 86 -13.055 -4.002 7.289 1.00 0.00 C ATOM 1400 CD1 ILE A 86 -11.803 -1.903 5.496 1.00 0.00 C ATOM 0 H ILE A 86 -9.130 -4.514 6.634 1.00 0.00 H new ATOM 0 HA ILE A 86 -10.790 -4.113 8.874 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.501 -4.618 5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.160 -2.035 7.527 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.011 -2.671 6.365 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.639 -3.516 6.507 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.417 -5.020 7.434 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.159 -3.444 8.220 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.381 -0.906 5.367 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.694 -2.466 4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.860 -1.820 5.748 1.00 0.00 H new ATOM 1412 N VAL A 87 -11.004 -7.044 7.344 1.00 0.00 N ATOM 1413 CA VAL A 87 -11.454 -8.425 7.476 1.00 0.00 C ATOM 1414 C VAL A 87 -10.799 -9.102 8.680 1.00 0.00 C ATOM 1415 O VAL A 87 -11.422 -9.916 9.364 1.00 0.00 O ATOM 1416 CB VAL A 87 -11.144 -9.238 6.198 1.00 0.00 C ATOM 1417 CG1 VAL A 87 -11.659 -10.664 6.315 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -11.743 -8.558 4.978 1.00 0.00 C ATOM 0 H VAL A 87 -10.459 -6.861 6.501 1.00 0.00 H new ATOM 0 HA VAL A 87 -12.533 -8.400 7.625 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.061 -9.279 6.081 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.426 -11.211 5.401 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.182 -11.155 7.163 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -12.739 -10.650 6.464 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -11.516 -9.143 4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -12.824 -8.483 5.097 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.320 -7.559 4.874 1.00 0.00 H new ATOM 1428 N THR A 88 -9.549 -8.749 8.948 1.00 0.00 N ATOM 1429 CA THR A 88 -8.810 -9.337 10.057 1.00 0.00 C ATOM 1430 C THR A 88 -9.122 -8.633 11.380 1.00 0.00 C ATOM 1431 O THR A 88 -8.552 -8.968 12.418 1.00 0.00 O ATOM 1432 CB THR A 88 -7.290 -9.315 9.793 1.00 0.00 C ATOM 1433 OG1 THR A 88 -6.886 -8.023 9.324 1.00 0.00 O ATOM 1434 CG2 THR A 88 -6.905 -10.370 8.766 1.00 0.00 C ATOM 0 H THR A 88 -9.025 -8.057 8.412 1.00 0.00 H new ATOM 0 HA THR A 88 -9.134 -10.375 10.138 1.00 0.00 H new ATOM 0 HB THR A 88 -6.782 -9.535 10.732 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.178 -7.906 8.396 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.829 -10.336 8.596 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.183 -11.357 9.136 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.427 -10.174 7.829 1.00 0.00 H new ATOM 1442 N GLY A 89 -10.034 -7.663 11.337 1.00 0.00 N ATOM 1443 CA GLY A 89 -10.460 -6.979 12.547 1.00 0.00 C ATOM 1444 C GLY A 89 -9.383 -6.076 13.115 1.00 0.00 C ATOM 1445 O GLY A 89 -9.171 -6.030 14.329 1.00 0.00 O ATOM 0 H GLY A 89 -10.486 -7.338 10.482 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.349 -6.387 12.331 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.743 -7.717 13.297 1.00 0.00 H new ATOM 1449 N ARG A 90 -8.691 -5.367 12.238 1.00 0.00 N ATOM 1450 CA ARG A 90 -7.621 -4.470 12.653 1.00 0.00 C ATOM 1451 C ARG A 90 -7.866 -3.056 12.142 1.00 0.00 C ATOM 1452 O ARG A 90 -7.450 -2.083 12.764 1.00 0.00 O ATOM 1453 CB ARG A 90 -6.276 -4.987 12.140 1.00 0.00 C ATOM 1454 CG ARG A 90 -5.941 -6.385 12.632 1.00 0.00 C ATOM 1455 CD ARG A 90 -4.684 -6.921 11.975 1.00 0.00 C ATOM 1456 NE ARG A 90 -4.390 -8.290 12.395 1.00 0.00 N ATOM 1457 CZ ARG A 90 -3.880 -9.221 11.590 1.00 0.00 C ATOM 1458 NH1 ARG A 90 -3.682 -8.953 10.307 1.00 0.00 N ATOM 1459 NH2 ARG A 90 -3.590 -10.427 12.057 1.00 0.00 N ATOM 0 H ARG A 90 -8.851 -5.395 11.231 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.603 -4.441 13.742 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.286 -4.986 11.050 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.488 -4.301 12.452 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.808 -6.369 13.714 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.775 -7.055 12.423 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.800 -6.891 10.892 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.841 -6.276 12.224 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.587 -8.548 13.362 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.920 -8.033 9.935 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.291 -9.666 9.691 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.757 -10.647 13.039 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.200 -11.135 11.435 1.00 0.00 H new ATOM 1473 N ALA A 91 -8.550 -2.940 11.012 1.00 0.00 N ATOM 1474 CA ALA A 91 -8.844 -1.634 10.438 1.00 0.00 C ATOM 1475 C ALA A 91 -10.343 -1.403 10.363 1.00 0.00 C ATOM 1476 O ALA A 91 -11.104 -2.304 10.010 1.00 0.00 O ATOM 1477 CB ALA A 91 -8.218 -1.492 9.060 1.00 0.00 C ATOM 0 H ALA A 91 -8.910 -3.730 10.477 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.410 -0.877 11.091 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.452 -0.508 8.653 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.137 -1.604 9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.615 -2.262 8.399 1.00 0.00 H new ATOM 1483 N LYS A 92 -10.759 -0.200 10.718 1.00 0.00 N ATOM 1484 CA LYS A 92 -12.164 0.171 10.668 1.00 0.00 C ATOM 1485 C LYS A 92 -12.443 1.081 9.476 1.00 0.00 C ATOM 1486 O LYS A 92 -13.487 0.981 8.830 1.00 0.00 O ATOM 1487 CB LYS A 92 -12.557 0.867 11.974 1.00 0.00 C ATOM 1488 CG LYS A 92 -13.914 1.548 11.940 1.00 0.00 C ATOM 1489 CD LYS A 92 -14.168 2.310 13.228 1.00 0.00 C ATOM 1490 CE LYS A 92 -15.405 3.184 13.131 1.00 0.00 C ATOM 1491 NZ LYS A 92 -15.642 3.931 14.391 1.00 0.00 N ATOM 0 H LYS A 92 -10.140 0.541 11.046 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.762 -0.732 10.548 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -12.554 0.131 12.778 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -11.798 1.610 12.218 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -13.961 2.232 11.092 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -14.696 0.803 11.793 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -14.285 1.605 14.051 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -13.302 2.930 13.460 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -15.292 3.887 12.306 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -16.273 2.565 12.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -16.494 4.518 14.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -15.774 3.259 15.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -14.824 4.540 14.593 1.00 0.00 H new ATOM 1505 N TYR A 93 -11.500 1.962 9.181 1.00 0.00 N ATOM 1506 CA TYR A 93 -11.678 2.940 8.122 1.00 0.00 C ATOM 1507 C TYR A 93 -10.397 3.101 7.311 1.00 0.00 C ATOM 1508 O TYR A 93 -9.301 3.138 7.869 1.00 0.00 O ATOM 1509 CB TYR A 93 -12.095 4.282 8.732 1.00 0.00 C ATOM 1510 CG TYR A 93 -12.258 5.403 7.728 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -13.368 5.463 6.896 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -11.301 6.406 7.619 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -13.522 6.492 5.987 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -11.449 7.435 6.711 1.00 0.00 C ATOM 1515 CZ TYR A 93 -12.561 7.473 5.898 1.00 0.00 C ATOM 1516 OH TYR A 93 -12.715 8.501 4.997 1.00 0.00 O ATOM 0 H TYR A 93 -10.602 2.019 9.662 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.460 2.591 7.448 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.037 4.148 9.264 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.350 4.578 9.471 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -14.123 4.693 6.960 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -10.428 6.379 8.255 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.393 6.526 5.349 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.697 8.207 6.638 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.950 9.110 5.061 1.00 0.00 H new ATOM 1526 N ASN A 94 -10.542 3.178 5.995 1.00 0.00 N ATOM 1527 CA ASN A 94 -9.414 3.444 5.121 1.00 0.00 C ATOM 1528 C ASN A 94 -9.592 4.804 4.461 1.00 0.00 C ATOM 1529 O ASN A 94 -10.700 5.164 4.064 1.00 0.00 O ATOM 1530 CB ASN A 94 -9.263 2.349 4.052 1.00 0.00 C ATOM 1531 CG ASN A 94 -10.492 2.189 3.173 1.00 0.00 C ATOM 1532 OD1 ASN A 94 -10.681 2.926 2.212 1.00 0.00 O ATOM 1533 ND2 ASN A 94 -11.314 1.197 3.474 1.00 0.00 N ATOM 0 H ASN A 94 -11.432 3.059 5.511 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.505 3.446 5.723 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.404 2.582 3.423 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.051 1.399 4.543 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -12.138 1.025 2.898 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -11.124 0.604 4.282 1.00 0.00 H new ATOM 1540 N PRO A 95 -8.512 5.588 4.353 1.00 0.00 N ATOM 1541 CA PRO A 95 -8.555 6.912 3.733 1.00 0.00 C ATOM 1542 C PRO A 95 -8.469 6.846 2.208 1.00 0.00 C ATOM 1543 O PRO A 95 -7.995 7.780 1.568 1.00 0.00 O ATOM 1544 CB PRO A 95 -7.314 7.589 4.308 1.00 0.00 C ATOM 1545 CG PRO A 95 -6.343 6.475 4.503 1.00 0.00 C ATOM 1546 CD PRO A 95 -7.162 5.258 4.850 1.00 0.00 C ATOM 0 HA PRO A 95 -9.489 7.436 3.937 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -6.921 8.344 3.627 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -7.536 8.093 5.249 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -5.758 6.306 3.599 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.637 6.709 5.300 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -6.768 4.361 4.372 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -7.166 5.071 5.924 1.00 0.00 H new ATOM 1554 N ALA A 96 -8.945 5.745 1.635 1.00 0.00 N ATOM 1555 CA ALA A 96 -8.881 5.531 0.191 1.00 0.00 C ATOM 1556 C ALA A 96 -9.744 6.533 -0.593 1.00 0.00 C ATOM 1557 O ALA A 96 -9.286 7.068 -1.605 1.00 0.00 O ATOM 1558 CB ALA A 96 -9.266 4.098 -0.152 1.00 0.00 C ATOM 0 H ALA A 96 -9.382 4.982 2.152 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.849 5.703 -0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.213 3.955 -1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.579 3.409 0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.282 3.902 0.190 1.00 0.00 H new ATOM 1564 N PRO A 97 -11.008 6.796 -0.173 1.00 0.00 N ATOM 1565 CA PRO A 97 -11.844 7.817 -0.811 1.00 0.00 C ATOM 1566 C PRO A 97 -11.134 9.168 -0.924 1.00 0.00 C ATOM 1567 O PRO A 97 -11.151 9.803 -1.981 1.00 0.00 O ATOM 1568 CB PRO A 97 -13.079 7.925 0.099 1.00 0.00 C ATOM 1569 CG PRO A 97 -12.778 7.105 1.310 1.00 0.00 C ATOM 1570 CD PRO A 97 -11.740 6.101 0.900 1.00 0.00 C ATOM 0 HA PRO A 97 -12.093 7.541 -1.836 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.273 8.963 0.370 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.970 7.556 -0.409 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.411 7.733 2.122 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.677 6.607 1.674 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.084 5.837 1.730 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.193 5.175 0.545 1.00 0.00 H new ATOM 1578 N ASP A 98 -10.491 9.600 0.159 1.00 0.00 N ATOM 1579 CA ASP A 98 -9.765 10.868 0.150 1.00 0.00 C ATOM 1580 C ASP A 98 -8.396 10.718 -0.497 1.00 0.00 C ATOM 1581 O ASP A 98 -7.805 11.695 -0.938 1.00 0.00 O ATOM 1582 CB ASP A 98 -9.618 11.438 1.562 1.00 0.00 C ATOM 1583 CG ASP A 98 -10.892 12.087 2.058 1.00 0.00 C ATOM 1584 OD1 ASP A 98 -11.184 13.225 1.636 1.00 0.00 O ATOM 1585 OD2 ASP A 98 -11.607 11.465 2.871 1.00 0.00 O ATOM 0 H ASP A 98 -10.458 9.097 1.045 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.353 11.568 -0.444 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -9.331 10.639 2.245 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.812 12.172 1.573 1.00 0.00 H new ATOM 1590 N LEU A 99 -7.891 9.492 -0.543 1.00 0.00 N ATOM 1591 CA LEU A 99 -6.654 9.193 -1.256 1.00 0.00 C ATOM 1592 C LEU A 99 -6.821 9.559 -2.725 1.00 0.00 C ATOM 1593 O LEU A 99 -5.997 10.274 -3.301 1.00 0.00 O ATOM 1594 CB LEU A 99 -6.304 7.699 -1.083 1.00 0.00 C ATOM 1595 CG LEU A 99 -5.059 7.168 -1.820 1.00 0.00 C ATOM 1596 CD1 LEU A 99 -5.363 6.856 -3.278 1.00 0.00 C ATOM 1597 CD2 LEU A 99 -3.910 8.154 -1.722 1.00 0.00 C ATOM 0 H LEU A 99 -8.321 8.684 -0.093 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.832 9.780 -0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.172 7.506 -0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.163 7.113 -1.409 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.764 6.239 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.462 6.484 -3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.145 6.098 -3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.700 7.762 -3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.043 7.756 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.205 9.102 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.655 8.313 -0.674 1.00 0.00 H new ATOM 1609 N ALA A 100 -7.904 9.076 -3.318 1.00 0.00 N ATOM 1610 CA ALA A 100 -8.202 9.362 -4.712 1.00 0.00 C ATOM 1611 C ALA A 100 -8.563 10.830 -4.894 1.00 0.00 C ATOM 1612 O ALA A 100 -8.229 11.439 -5.908 1.00 0.00 O ATOM 1613 CB ALA A 100 -9.331 8.469 -5.207 1.00 0.00 C ATOM 0 H ALA A 100 -8.591 8.483 -2.853 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.311 9.154 -5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.542 8.695 -6.252 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.035 7.424 -5.115 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.225 8.648 -4.609 1.00 0.00 H new ATOM 1619 N ASP A 101 -9.228 11.394 -3.894 1.00 0.00 N ATOM 1620 CA ASP A 101 -9.663 12.786 -3.945 1.00 0.00 C ATOM 1621 C ASP A 101 -8.475 13.737 -3.858 1.00 0.00 C ATOM 1622 O ASP A 101 -8.419 14.742 -4.568 1.00 0.00 O ATOM 1623 CB ASP A 101 -10.648 13.075 -2.815 1.00 0.00 C ATOM 1624 CG ASP A 101 -11.180 14.490 -2.868 1.00 0.00 C ATOM 1625 OD1 ASP A 101 -12.071 14.764 -3.699 1.00 0.00 O ATOM 1626 OD2 ASP A 101 -10.712 15.336 -2.085 1.00 0.00 O ATOM 0 H ASP A 101 -9.479 10.907 -3.034 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.160 12.948 -4.902 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.480 12.373 -2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.157 12.909 -1.856 1.00 0.00 H new ATOM 1631 N ALA A 102 -7.527 13.411 -2.990 1.00 0.00 N ATOM 1632 CA ALA A 102 -6.319 14.208 -2.836 1.00 0.00 C ATOM 1633 C ALA A 102 -5.472 14.133 -4.100 1.00 0.00 C ATOM 1634 O ALA A 102 -5.013 15.150 -4.602 1.00 0.00 O ATOM 1635 CB ALA A 102 -5.520 13.746 -1.627 1.00 0.00 C ATOM 0 H ALA A 102 -7.573 12.596 -2.379 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.609 15.246 -2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.621 14.355 -1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.127 13.850 -0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.238 12.701 -1.755 1.00 0.00 H new ATOM 1641 N MET A 103 -5.262 12.914 -4.590 1.00 0.00 N ATOM 1642 CA MET A 103 -4.622 12.685 -5.887 1.00 0.00 C ATOM 1643 C MET A 103 -5.284 13.519 -6.982 1.00 0.00 C ATOM 1644 O MET A 103 -4.612 14.177 -7.776 1.00 0.00 O ATOM 1645 CB MET A 103 -4.720 11.200 -6.241 1.00 0.00 C ATOM 1646 CG MET A 103 -3.935 10.794 -7.476 1.00 0.00 C ATOM 1647 SD MET A 103 -4.054 9.022 -7.801 1.00 0.00 S ATOM 1648 CE MET A 103 -3.561 8.366 -6.210 1.00 0.00 C ATOM 0 H MET A 103 -5.529 12.058 -4.103 1.00 0.00 H new ATOM 0 HA MET A 103 -3.576 12.985 -5.817 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.368 10.613 -5.393 1.00 0.00 H new ATOM 0 HB3 MET A 103 -5.769 10.944 -6.392 1.00 0.00 H new ATOM 0 HG2 MET A 103 -4.306 11.347 -8.339 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.888 11.069 -7.347 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.307 7.311 -6.314 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.693 8.914 -5.844 1.00 0.00 H new ATOM 0 HE3 MET A 103 -4.383 8.473 -5.502 1.00 0.00 H new ATOM 1658 N LYS A 104 -6.608 13.484 -7.005 1.00 0.00 N ATOM 1659 CA LYS A 104 -7.399 14.231 -7.976 1.00 0.00 C ATOM 1660 C LYS A 104 -7.160 15.737 -7.844 1.00 0.00 C ATOM 1661 O LYS A 104 -7.169 16.472 -8.833 1.00 0.00 O ATOM 1662 CB LYS A 104 -8.882 13.900 -7.779 1.00 0.00 C ATOM 1663 CG LYS A 104 -9.838 14.770 -8.575 1.00 0.00 C ATOM 1664 CD LYS A 104 -11.282 14.423 -8.258 1.00 0.00 C ATOM 1665 CE LYS A 104 -12.226 15.541 -8.662 1.00 0.00 C ATOM 1666 NZ LYS A 104 -11.910 16.811 -7.953 1.00 0.00 N ATOM 0 H LYS A 104 -7.167 12.936 -6.350 1.00 0.00 H new ATOM 0 HA LYS A 104 -7.092 13.939 -8.980 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -9.047 12.858 -8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -9.123 13.993 -6.720 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.654 15.820 -8.348 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.654 14.637 -9.641 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.559 13.506 -8.778 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.384 14.227 -7.191 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.163 15.700 -9.739 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.253 15.248 -8.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.772 17.388 -7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.549 16.597 -7.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -11.189 17.337 -8.487 1.00 0.00 H new