USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 826 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 87 HIS : no HE2:sc= 0.355 K(o=3.5,f=1) USER MOD Set 1.2: A 91 THR OG1 : rot -86:sc= 1.86 USER MOD Set 1.3: A 93 GLN : amide:sc= 1.25 K(o=3.5,f=1.5) USER MOD Set 2.1: A 52 SER OG : rot 85:sc= 1.29 USER MOD Set 2.2: A 61 HIS : no HD1:sc= 1.07 K(o=2.4,f=-3.6!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.413 X(o=-0.41,f=-0.4) USER MOD Single : A 16 GLN : amide:sc= 0.838 K(o=0.84,f=-0.45) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.482 X(o=-0.48,f=-0.13) USER MOD Single : A 34 HIS : no HD1:sc=-0.00473 X(o=-0.0047,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 1.54 K(o=1.5,f=-8.4!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0.831 K(o=0.83,f=0) USER MOD Single : A 66 SER OG : rot 44:sc= 0.324 USER MOD Single : A 69 ASN : amide:sc= -0.333 X(o=-0.33,f=-0.31) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 1.91 K(o=1.9,f=-0.22) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.068) USER MOD Single : A 99 SER OG : rot 180:sc= -0.05 USER MOD Single : A 104 HIS : no HD1:sc= -0.706 X(o=-0.71,f=-0.25) USER MOD Single : A 109 SER OG : rot 180:sc= 0.016 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 11.143 7.238 6.862 1.00 0.00 N ATOM 67 CA GLU A 8 10.867 6.283 5.792 1.00 0.00 C ATOM 68 C GLU A 8 9.870 6.901 4.816 1.00 0.00 C ATOM 69 O GLU A 8 10.033 6.772 3.608 1.00 0.00 O ATOM 70 CB GLU A 8 10.324 4.948 6.352 1.00 0.00 C ATOM 71 CG GLU A 8 9.240 5.062 7.446 1.00 0.00 C ATOM 72 CD GLU A 8 9.817 5.524 8.789 1.00 0.00 C ATOM 73 OE1 GLU A 8 10.606 4.754 9.384 1.00 0.00 O ATOM 74 OE2 GLU A 8 9.589 6.699 9.157 1.00 0.00 O ATOM 0 HA GLU A 8 11.799 6.060 5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.916 4.369 5.524 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.161 4.379 6.756 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.472 5.764 7.122 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.754 4.095 7.575 1.00 0.00 H new ATOM 81 N VAL A 9 8.866 7.624 5.318 1.00 0.00 N ATOM 82 CA VAL A 9 7.847 8.290 4.509 1.00 0.00 C ATOM 83 C VAL A 9 8.490 9.334 3.578 1.00 0.00 C ATOM 84 O VAL A 9 7.926 9.680 2.541 1.00 0.00 O ATOM 85 CB VAL A 9 6.762 8.845 5.455 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.326 9.792 6.523 1.00 0.00 C ATOM 87 CG2 VAL A 9 5.627 9.555 4.714 1.00 0.00 C ATOM 0 H VAL A 9 8.738 7.765 6.320 1.00 0.00 H new ATOM 0 HA VAL A 9 7.353 7.591 3.834 1.00 0.00 H new ATOM 0 HB VAL A 9 6.358 7.960 5.948 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.515 10.149 7.157 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.056 9.259 7.133 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.808 10.641 6.038 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.896 9.923 5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.031 10.394 4.147 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.144 8.855 4.032 1.00 0.00 H new ATOM 97 N GLN A 10 9.679 9.823 3.948 1.00 0.00 N ATOM 98 CA GLN A 10 10.441 10.792 3.178 1.00 0.00 C ATOM 99 C GLN A 10 10.966 10.170 1.878 1.00 0.00 C ATOM 100 O GLN A 10 11.207 10.890 0.905 1.00 0.00 O ATOM 101 CB GLN A 10 11.605 11.304 4.003 1.00 0.00 C ATOM 102 CG GLN A 10 11.078 12.413 4.913 1.00 0.00 C ATOM 103 CD GLN A 10 12.195 12.828 5.823 1.00 0.00 C ATOM 104 OE1 GLN A 10 13.239 13.310 5.382 1.00 0.00 O ATOM 105 NE2 GLN A 10 12.041 12.568 7.095 1.00 0.00 N ATOM 0 H GLN A 10 10.142 9.544 4.813 1.00 0.00 H new ATOM 0 HA GLN A 10 9.780 11.620 2.923 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.038 10.498 4.595 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.395 11.684 3.355 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.732 13.261 4.321 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.225 12.059 5.492 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.165 12.169 7.431 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.797 12.764 7.751 1.00 0.00 H new ATOM 114 N LYS A 11 11.222 8.855 1.880 1.00 0.00 N ATOM 115 CA LYS A 11 11.732 8.133 0.724 1.00 0.00 C ATOM 116 C LYS A 11 10.640 7.998 -0.320 1.00 0.00 C ATOM 117 O LYS A 11 9.481 7.776 0.043 1.00 0.00 O ATOM 118 CB LYS A 11 12.141 6.695 1.107 1.00 0.00 C ATOM 119 CG LYS A 11 13.269 6.580 2.136 1.00 0.00 C ATOM 120 CD LYS A 11 14.572 7.101 1.536 1.00 0.00 C ATOM 121 CE LYS A 11 15.732 6.848 2.490 1.00 0.00 C ATOM 122 NZ LYS A 11 16.959 7.481 1.974 1.00 0.00 N ATOM 0 H LYS A 11 11.077 8.263 2.698 1.00 0.00 H new ATOM 0 HA LYS A 11 12.589 8.691 0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.264 6.179 1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.444 6.169 0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.017 7.149 3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.389 5.541 2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.763 6.609 0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.486 8.168 1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.495 7.246 3.477 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.889 5.776 2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.745 7.303 2.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.190 7.081 1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.809 8.506 1.884 1.00 0.00 H new ATOM 136 N PRO A 12 10.962 8.104 -1.618 1.00 0.00 N ATOM 137 CA PRO A 12 9.943 7.923 -2.624 1.00 0.00 C ATOM 138 C PRO A 12 9.557 6.443 -2.587 1.00 0.00 C ATOM 139 O PRO A 12 10.304 5.585 -2.103 1.00 0.00 O ATOM 140 CB PRO A 12 10.579 8.341 -3.948 1.00 0.00 C ATOM 141 CG PRO A 12 12.055 8.036 -3.716 1.00 0.00 C ATOM 142 CD PRO A 12 12.256 8.354 -2.231 1.00 0.00 C ATOM 0 HA PRO A 12 9.039 8.513 -2.473 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.175 7.776 -4.788 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.412 9.396 -4.163 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.290 6.995 -3.939 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.696 8.650 -4.348 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.029 7.723 -1.793 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.569 9.388 -2.087 1.00 0.00 H new ATOM 150 N LEU A 13 8.395 6.145 -3.153 1.00 0.00 N ATOM 151 CA LEU A 13 7.809 4.819 -3.234 1.00 0.00 C ATOM 152 C LEU A 13 8.801 3.749 -3.696 1.00 0.00 C ATOM 153 O LEU A 13 8.771 2.632 -3.190 1.00 0.00 O ATOM 154 CB LEU A 13 6.589 4.934 -4.168 1.00 0.00 C ATOM 155 CG LEU A 13 6.068 3.621 -4.778 1.00 0.00 C ATOM 156 CD1 LEU A 13 4.618 3.823 -5.195 1.00 0.00 C ATOM 157 CD2 LEU A 13 6.811 3.212 -6.060 1.00 0.00 C ATOM 0 H LEU A 13 7.809 6.858 -3.588 1.00 0.00 H new ATOM 0 HA LEU A 13 7.507 4.483 -2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.775 5.399 -3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.845 5.611 -4.983 1.00 0.00 H new ATOM 0 HG LEU A 13 6.207 2.852 -4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.233 2.901 -5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.022 4.089 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.560 4.624 -5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.395 2.278 -6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.696 3.993 -6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.869 3.075 -5.839 1.00 0.00 H new ATOM 169 N HIS A 14 9.705 4.098 -4.610 1.00 0.00 N ATOM 170 CA HIS A 14 10.700 3.200 -5.185 1.00 0.00 C ATOM 171 C HIS A 14 11.631 2.536 -4.180 1.00 0.00 C ATOM 172 O HIS A 14 12.194 1.494 -4.505 1.00 0.00 O ATOM 173 CB HIS A 14 11.556 3.958 -6.203 1.00 0.00 C ATOM 174 CG HIS A 14 10.773 4.958 -7.003 1.00 0.00 C ATOM 175 ND1 HIS A 14 11.013 6.307 -7.033 1.00 0.00 N ATOM 176 CD2 HIS A 14 9.608 4.719 -7.672 1.00 0.00 C ATOM 177 CE1 HIS A 14 10.010 6.879 -7.710 1.00 0.00 C ATOM 178 NE2 HIS A 14 9.117 5.953 -8.118 1.00 0.00 N ATOM 0 H HIS A 14 9.765 5.046 -4.982 1.00 0.00 H new ATOM 0 HA HIS A 14 10.121 2.400 -5.647 1.00 0.00 H new ATOM 0 HB2 HIS A 14 12.362 4.472 -5.680 1.00 0.00 H new ATOM 0 HB3 HIS A 14 12.021 3.243 -6.882 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.148 3.754 -7.829 1.00 0.00 H new ATOM 0 HE1 HIS A 14 9.927 7.938 -7.904 1.00 0.00 H new ATOM 0 HE2 HIS A 14 8.259 6.118 -8.644 1.00 0.00 H new ATOM 186 N GLU A 15 11.805 3.085 -2.977 1.00 0.00 N ATOM 187 CA GLU A 15 12.710 2.510 -1.985 1.00 0.00 C ATOM 188 C GLU A 15 11.956 1.978 -0.774 1.00 0.00 C ATOM 189 O GLU A 15 12.573 1.573 0.212 1.00 0.00 O ATOM 190 CB GLU A 15 13.801 3.521 -1.605 1.00 0.00 C ATOM 191 CG GLU A 15 14.520 4.092 -2.838 1.00 0.00 C ATOM 192 CD GLU A 15 15.902 4.666 -2.537 1.00 0.00 C ATOM 193 OE1 GLU A 15 16.169 5.141 -1.404 1.00 0.00 O ATOM 194 OE2 GLU A 15 16.734 4.701 -3.474 1.00 0.00 O ATOM 0 H GLU A 15 11.328 3.931 -2.667 1.00 0.00 H new ATOM 0 HA GLU A 15 13.206 1.648 -2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.355 4.337 -1.036 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.529 3.039 -0.953 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.619 3.305 -3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.901 4.874 -3.278 1.00 0.00 H new ATOM 201 N GLN A 16 10.627 1.995 -0.825 1.00 0.00 N ATOM 202 CA GLN A 16 9.800 1.504 0.254 1.00 0.00 C ATOM 203 C GLN A 16 9.859 -0.022 0.264 1.00 0.00 C ATOM 204 O GLN A 16 9.750 -0.669 -0.780 1.00 0.00 O ATOM 205 CB GLN A 16 8.355 1.959 0.037 1.00 0.00 C ATOM 206 CG GLN A 16 8.178 3.481 0.097 1.00 0.00 C ATOM 207 CD GLN A 16 8.357 4.087 1.482 1.00 0.00 C ATOM 208 OE1 GLN A 16 8.210 3.441 2.515 1.00 0.00 O ATOM 209 NE2 GLN A 16 8.641 5.371 1.518 1.00 0.00 N ATOM 0 H GLN A 16 10.099 2.352 -1.621 1.00 0.00 H new ATOM 0 HA GLN A 16 10.160 1.895 1.206 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.011 1.599 -0.933 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.720 1.497 0.793 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.894 3.944 -0.583 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.183 3.732 -0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.760 5.892 0.649 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.743 5.846 2.415 1.00 0.00 H new ATOM 218 N LEU A 17 9.937 -0.599 1.459 1.00 0.00 N ATOM 219 CA LEU A 17 9.988 -2.037 1.715 1.00 0.00 C ATOM 220 C LEU A 17 8.756 -2.795 1.208 1.00 0.00 C ATOM 221 O LEU A 17 8.815 -4.016 1.092 1.00 0.00 O ATOM 222 CB LEU A 17 10.222 -2.313 3.215 1.00 0.00 C ATOM 223 CG LEU A 17 9.028 -2.117 4.178 1.00 0.00 C ATOM 224 CD1 LEU A 17 9.483 -2.432 5.605 1.00 0.00 C ATOM 225 CD2 LEU A 17 8.431 -0.706 4.208 1.00 0.00 C ATOM 0 H LEU A 17 9.968 -0.051 2.318 1.00 0.00 H new ATOM 0 HA LEU A 17 10.833 -2.419 1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.569 -3.341 3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.034 -1.668 3.552 1.00 0.00 H new ATOM 0 HG LEU A 17 8.254 -2.787 3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.647 -2.296 6.292 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.831 -3.464 5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.295 -1.761 5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.601 -0.677 4.914 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.196 0.006 4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.071 -0.442 3.214 1.00 0.00 H new ATOM 237 N TRP A 18 7.652 -2.094 0.925 1.00 0.00 N ATOM 238 CA TRP A 18 6.405 -2.656 0.421 1.00 0.00 C ATOM 239 C TRP A 18 6.276 -2.514 -1.101 1.00 0.00 C ATOM 240 O TRP A 18 5.252 -2.912 -1.665 1.00 0.00 O ATOM 241 CB TRP A 18 5.218 -1.993 1.140 1.00 0.00 C ATOM 242 CG TRP A 18 5.268 -0.509 1.388 1.00 0.00 C ATOM 243 CD1 TRP A 18 5.523 0.061 2.585 1.00 0.00 C ATOM 244 CD2 TRP A 18 5.011 0.606 0.477 1.00 0.00 C ATOM 245 NE1 TRP A 18 5.426 1.435 2.484 1.00 0.00 N ATOM 246 CE2 TRP A 18 5.054 1.821 1.222 1.00 0.00 C ATOM 247 CE3 TRP A 18 4.751 0.729 -0.903 1.00 0.00 C ATOM 248 CZ2 TRP A 18 4.801 3.074 0.651 1.00 0.00 C ATOM 249 CZ3 TRP A 18 4.535 1.986 -1.500 1.00 0.00 C ATOM 250 CH2 TRP A 18 4.548 3.156 -0.726 1.00 0.00 C ATOM 0 H TRP A 18 7.607 -1.082 1.047 1.00 0.00 H new ATOM 0 HA TRP A 18 6.405 -3.725 0.631 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.320 -2.202 0.559 1.00 0.00 H new ATOM 0 HB3 TRP A 18 5.096 -2.487 2.104 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.767 -0.478 3.488 1.00 0.00 H new ATOM 0 HE1 TRP A 18 5.608 2.081 3.252 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.717 -0.160 -1.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 4.801 3.965 1.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.358 2.050 -2.563 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.364 4.115 -1.188 1.00 0.00 H new ATOM 261 N TYR A 19 7.245 -1.902 -1.789 1.00 0.00 N ATOM 262 CA TYR A 19 7.211 -1.727 -3.231 1.00 0.00 C ATOM 263 C TYR A 19 7.848 -2.954 -3.879 1.00 0.00 C ATOM 264 O TYR A 19 9.044 -2.961 -4.178 1.00 0.00 O ATOM 265 CB TYR A 19 7.894 -0.410 -3.612 1.00 0.00 C ATOM 266 CG TYR A 19 7.920 -0.179 -5.111 1.00 0.00 C ATOM 267 CD1 TYR A 19 6.708 -0.186 -5.822 1.00 0.00 C ATOM 268 CD2 TYR A 19 9.133 -0.016 -5.804 1.00 0.00 C ATOM 269 CE1 TYR A 19 6.696 0.011 -7.217 1.00 0.00 C ATOM 270 CE2 TYR A 19 9.132 0.174 -7.198 1.00 0.00 C ATOM 271 CZ TYR A 19 7.915 0.200 -7.911 1.00 0.00 C ATOM 272 OH TYR A 19 7.932 0.367 -9.262 1.00 0.00 O ATOM 0 H TYR A 19 8.079 -1.513 -1.350 1.00 0.00 H new ATOM 0 HA TYR A 19 6.188 -1.653 -3.600 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.374 0.418 -3.130 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.915 -0.411 -3.230 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.779 -0.344 -5.295 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.068 -0.037 -5.264 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.760 0.018 -7.755 1.00 0.00 H new ATOM 0 HE2 TYR A 19 10.067 0.300 -7.724 1.00 0.00 H new ATOM 0 HH TYR A 19 8.856 0.484 -9.566 1.00 0.00 H new ATOM 282 N HIS A 20 7.049 -4.004 -4.091 1.00 0.00 N ATOM 283 CA HIS A 20 7.576 -5.246 -4.672 1.00 0.00 C ATOM 284 C HIS A 20 7.872 -5.149 -6.166 1.00 0.00 C ATOM 285 O HIS A 20 8.927 -5.607 -6.594 1.00 0.00 O ATOM 286 CB HIS A 20 6.662 -6.444 -4.383 1.00 0.00 C ATOM 287 CG HIS A 20 6.637 -6.835 -2.925 1.00 0.00 C ATOM 288 ND1 HIS A 20 7.311 -7.890 -2.347 1.00 0.00 N ATOM 289 CD2 HIS A 20 5.959 -6.194 -1.926 1.00 0.00 C ATOM 290 CE1 HIS A 20 6.999 -7.905 -1.038 1.00 0.00 C ATOM 291 NE2 HIS A 20 6.172 -6.889 -0.739 1.00 0.00 N ATOM 0 H HIS A 20 6.052 -4.022 -3.874 1.00 0.00 H new ATOM 0 HA HIS A 20 8.533 -5.407 -4.175 1.00 0.00 H new ATOM 0 HB2 HIS A 20 5.649 -6.206 -4.706 1.00 0.00 H new ATOM 0 HB3 HIS A 20 6.993 -7.297 -4.976 1.00 0.00 H new ATOM 0 HD2 HIS A 20 5.361 -5.302 -2.038 1.00 0.00 H new ATOM 0 HE1 HIS A 20 7.363 -8.632 -0.327 1.00 0.00 H new ATOM 0 HE2 HIS A 20 5.778 -6.670 0.176 1.00 0.00 H new ATOM 299 N GLY A 21 6.972 -4.582 -6.970 1.00 0.00 N ATOM 300 CA GLY A 21 7.144 -4.439 -8.409 1.00 0.00 C ATOM 301 C GLY A 21 5.865 -4.805 -9.154 1.00 0.00 C ATOM 302 O GLY A 21 4.799 -4.938 -8.549 1.00 0.00 O ATOM 0 H GLY A 21 6.088 -4.204 -6.629 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.425 -3.412 -8.645 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.960 -5.078 -8.746 1.00 0.00 H new ATOM 306 N ALA A 22 5.941 -4.956 -10.476 1.00 0.00 N ATOM 307 CA ALA A 22 4.817 -5.317 -11.348 1.00 0.00 C ATOM 308 C ALA A 22 4.469 -6.816 -11.234 1.00 0.00 C ATOM 309 O ALA A 22 4.214 -7.495 -12.236 1.00 0.00 O ATOM 310 CB ALA A 22 5.155 -4.905 -12.785 1.00 0.00 C ATOM 0 H ALA A 22 6.813 -4.827 -10.989 1.00 0.00 H new ATOM 0 HA ALA A 22 3.923 -4.780 -11.031 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.327 -5.168 -13.443 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.323 -3.829 -12.825 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.056 -5.425 -13.110 1.00 0.00 H new ATOM 316 N ILE A 23 4.491 -7.344 -10.011 1.00 0.00 N ATOM 317 CA ILE A 23 4.218 -8.735 -9.712 1.00 0.00 C ATOM 318 C ILE A 23 2.729 -9.092 -9.901 1.00 0.00 C ATOM 319 O ILE A 23 1.839 -8.326 -9.496 1.00 0.00 O ATOM 320 CB ILE A 23 4.728 -9.095 -8.298 1.00 0.00 C ATOM 321 CG1 ILE A 23 4.114 -8.238 -7.168 1.00 0.00 C ATOM 322 CG2 ILE A 23 6.264 -8.989 -8.245 1.00 0.00 C ATOM 323 CD1 ILE A 23 4.252 -8.905 -5.798 1.00 0.00 C ATOM 0 H ILE A 23 4.707 -6.792 -9.181 1.00 0.00 H new ATOM 0 HA ILE A 23 4.766 -9.344 -10.431 1.00 0.00 H new ATOM 0 HB ILE A 23 4.405 -10.121 -8.119 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.602 -7.264 -7.147 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.059 -8.062 -7.380 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.612 -9.245 -7.244 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.701 -9.677 -8.968 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.567 -7.970 -8.485 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.806 -8.266 -5.036 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.741 -9.868 -5.809 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.307 -9.057 -5.572 1.00 0.00 H new ATOM 335 N PRO A 24 2.431 -10.262 -10.492 1.00 0.00 N ATOM 336 CA PRO A 24 1.076 -10.733 -10.709 1.00 0.00 C ATOM 337 C PRO A 24 0.487 -11.356 -9.436 1.00 0.00 C ATOM 338 O PRO A 24 1.153 -11.518 -8.410 1.00 0.00 O ATOM 339 CB PRO A 24 1.197 -11.780 -11.820 1.00 0.00 C ATOM 340 CG PRO A 24 2.574 -12.383 -11.593 1.00 0.00 C ATOM 341 CD PRO A 24 3.386 -11.224 -11.021 1.00 0.00 C ATOM 0 HA PRO A 24 0.405 -9.917 -10.979 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.412 -12.533 -11.748 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.115 -11.328 -12.808 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.534 -13.224 -10.901 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.006 -12.755 -12.522 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.058 -11.573 -10.237 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.006 -10.768 -11.793 1.00 0.00 H new ATOM 349 N ARG A 25 -0.779 -11.786 -9.519 1.00 0.00 N ATOM 350 CA ARG A 25 -1.474 -12.399 -8.385 1.00 0.00 C ATOM 351 C ARG A 25 -0.824 -13.658 -7.840 1.00 0.00 C ATOM 352 O ARG A 25 -1.109 -13.997 -6.686 1.00 0.00 O ATOM 353 CB ARG A 25 -2.968 -12.677 -8.687 1.00 0.00 C ATOM 354 CG ARG A 25 -3.255 -13.758 -9.748 1.00 0.00 C ATOM 355 CD ARG A 25 -3.484 -13.199 -11.153 1.00 0.00 C ATOM 356 NE ARG A 25 -4.805 -12.564 -11.290 1.00 0.00 N ATOM 357 CZ ARG A 25 -5.953 -13.203 -11.549 1.00 0.00 C ATOM 358 NH1 ARG A 25 -5.986 -14.520 -11.734 1.00 0.00 N ATOM 359 NH2 ARG A 25 -7.084 -12.517 -11.611 1.00 0.00 N ATOM 0 H ARG A 25 -1.343 -11.719 -10.366 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.395 -11.643 -7.604 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.457 -12.969 -7.758 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.432 -11.746 -9.012 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.419 -14.456 -9.777 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.135 -14.326 -9.445 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.707 -12.470 -11.383 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.392 -14.004 -11.882 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.850 -11.551 -11.178 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.125 -15.064 -11.680 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.872 -14.985 -11.930 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.077 -11.508 -11.462 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.962 -12.998 -11.808 1.00 0.00 H new ATOM 373 N ALA A 26 -0.027 -14.361 -8.643 1.00 0.00 N ATOM 374 CA ALA A 26 0.631 -15.582 -8.222 1.00 0.00 C ATOM 375 C ALA A 26 1.547 -15.311 -7.032 1.00 0.00 C ATOM 376 O ALA A 26 1.539 -16.095 -6.079 1.00 0.00 O ATOM 377 CB ALA A 26 1.414 -16.166 -9.399 1.00 0.00 C ATOM 0 H ALA A 26 0.177 -14.093 -9.606 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.117 -16.308 -7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.910 -17.085 -9.086 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.730 -16.385 -10.219 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.161 -15.446 -9.732 1.00 0.00 H new ATOM 383 N GLU A 27 2.298 -14.207 -7.071 1.00 0.00 N ATOM 384 CA GLU A 27 3.224 -13.865 -5.994 1.00 0.00 C ATOM 385 C GLU A 27 2.503 -13.128 -4.882 1.00 0.00 C ATOM 386 O GLU A 27 2.600 -13.532 -3.731 1.00 0.00 O ATOM 387 CB GLU A 27 4.411 -13.030 -6.493 1.00 0.00 C ATOM 388 CG GLU A 27 5.398 -13.845 -7.341 1.00 0.00 C ATOM 389 CD GLU A 27 5.222 -13.599 -8.839 1.00 0.00 C ATOM 390 OE1 GLU A 27 4.230 -14.076 -9.426 1.00 0.00 O ATOM 391 OE2 GLU A 27 6.090 -12.913 -9.427 1.00 0.00 O ATOM 0 H GLU A 27 2.281 -13.536 -7.839 1.00 0.00 H new ATOM 0 HA GLU A 27 3.620 -14.804 -5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.038 -12.193 -7.083 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.937 -12.607 -5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.418 -13.591 -7.051 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.262 -14.906 -7.132 1.00 0.00 H new ATOM 398 N VAL A 28 1.737 -12.088 -5.219 1.00 0.00 N ATOM 399 CA VAL A 28 0.999 -11.284 -4.246 1.00 0.00 C ATOM 400 C VAL A 28 0.253 -12.163 -3.242 1.00 0.00 C ATOM 401 O VAL A 28 0.298 -11.864 -2.057 1.00 0.00 O ATOM 402 CB VAL A 28 0.033 -10.345 -4.988 1.00 0.00 C ATOM 403 CG1 VAL A 28 -0.903 -9.575 -4.045 1.00 0.00 C ATOM 404 CG2 VAL A 28 0.786 -9.325 -5.842 1.00 0.00 C ATOM 0 H VAL A 28 1.611 -11.779 -6.183 1.00 0.00 H new ATOM 0 HA VAL A 28 1.710 -10.686 -3.675 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.567 -11.000 -5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.559 -8.930 -4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.504 -10.281 -3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.311 -8.966 -3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.071 -8.679 -6.351 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.431 -8.721 -5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.394 -9.847 -6.581 1.00 0.00 H new ATOM 414 N ALA A 29 -0.397 -13.245 -3.682 1.00 0.00 N ATOM 415 CA ALA A 29 -1.162 -14.118 -2.803 1.00 0.00 C ATOM 416 C ALA A 29 -0.403 -14.675 -1.597 1.00 0.00 C ATOM 417 O ALA A 29 -1.070 -14.958 -0.603 1.00 0.00 O ATOM 418 CB ALA A 29 -1.734 -15.282 -3.609 1.00 0.00 C ATOM 0 H ALA A 29 -0.404 -13.536 -4.660 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.944 -13.482 -2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.306 -15.935 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.386 -14.896 -4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.919 -15.847 -4.061 1.00 0.00 H new ATOM 424 N GLU A 30 0.915 -14.878 -1.667 1.00 0.00 N ATOM 425 CA GLU A 30 1.662 -15.418 -0.529 1.00 0.00 C ATOM 426 C GLU A 30 2.224 -14.331 0.382 1.00 0.00 C ATOM 427 O GLU A 30 2.549 -14.602 1.535 1.00 0.00 O ATOM 428 CB GLU A 30 2.809 -16.314 -1.004 1.00 0.00 C ATOM 429 CG GLU A 30 3.855 -15.620 -1.901 1.00 0.00 C ATOM 430 CD GLU A 30 5.296 -16.073 -1.671 1.00 0.00 C ATOM 431 OE1 GLU A 30 5.532 -17.140 -1.060 1.00 0.00 O ATOM 432 OE2 GLU A 30 6.217 -15.343 -2.103 1.00 0.00 O ATOM 0 H GLU A 30 1.482 -14.679 -2.491 1.00 0.00 H new ATOM 0 HA GLU A 30 0.946 -16.003 0.049 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.317 -16.722 -0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.388 -17.158 -1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.595 -15.799 -2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.797 -14.544 -1.738 1.00 0.00 H new ATOM 439 N LEU A 31 2.360 -13.108 -0.127 1.00 0.00 N ATOM 440 CA LEU A 31 2.896 -11.976 0.607 1.00 0.00 C ATOM 441 C LEU A 31 2.017 -11.687 1.816 1.00 0.00 C ATOM 442 O LEU A 31 2.517 -11.502 2.923 1.00 0.00 O ATOM 443 CB LEU A 31 2.999 -10.748 -0.326 1.00 0.00 C ATOM 444 CG LEU A 31 3.984 -10.923 -1.499 1.00 0.00 C ATOM 445 CD1 LEU A 31 4.064 -9.621 -2.298 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.391 -11.309 -1.036 1.00 0.00 C ATOM 0 H LEU A 31 2.093 -12.877 -1.084 1.00 0.00 H new ATOM 0 HA LEU A 31 3.898 -12.209 0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.010 -10.527 -0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.304 -9.883 0.263 1.00 0.00 H new ATOM 0 HG LEU A 31 3.604 -11.737 -2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.761 -9.745 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.077 -9.372 -2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.412 -8.817 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.042 -11.419 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.785 -10.531 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.349 -12.253 -0.492 1.00 0.00 H new ATOM 458 N LEU A 32 0.705 -11.615 1.608 1.00 0.00 N ATOM 459 CA LEU A 32 -0.238 -11.330 2.681 1.00 0.00 C ATOM 460 C LEU A 32 -0.673 -12.647 3.308 1.00 0.00 C ATOM 461 O LEU A 32 -1.156 -13.529 2.595 1.00 0.00 O ATOM 462 CB LEU A 32 -1.459 -10.532 2.185 1.00 0.00 C ATOM 463 CG LEU A 32 -1.260 -9.710 0.900 1.00 0.00 C ATOM 464 CD1 LEU A 32 -1.662 -10.561 -0.306 1.00 0.00 C ATOM 465 CD2 LEU A 32 -2.154 -8.483 0.832 1.00 0.00 C ATOM 0 H LEU A 32 0.269 -11.752 0.696 1.00 0.00 H new ATOM 0 HA LEU A 32 0.257 -10.706 3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.280 -11.230 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.771 -9.854 2.980 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.213 -9.408 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.523 -9.984 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.040 -11.456 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.709 -10.850 -0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.965 -7.946 -0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.199 -8.792 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.940 -7.830 1.678 1.00 0.00 H new ATOM 477 N VAL A 33 -0.553 -12.771 4.628 1.00 0.00 N ATOM 478 CA VAL A 33 -0.939 -13.976 5.364 1.00 0.00 C ATOM 479 C VAL A 33 -1.902 -13.590 6.485 1.00 0.00 C ATOM 480 O VAL A 33 -2.866 -14.315 6.750 1.00 0.00 O ATOM 481 CB VAL A 33 0.317 -14.720 5.875 1.00 0.00 C ATOM 482 CG1 VAL A 33 -0.040 -16.033 6.592 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.255 -15.068 4.708 1.00 0.00 C ATOM 0 H VAL A 33 -0.182 -12.031 5.224 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.460 -14.672 4.707 1.00 0.00 H new ATOM 0 HB VAL A 33 0.806 -14.045 6.577 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.873 -16.521 6.933 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.679 -15.818 7.449 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.568 -16.692 5.903 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.132 -15.591 5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.731 -15.708 3.999 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.568 -14.152 4.207 1.00 0.00 H new ATOM 493 N HIS A 34 -1.715 -12.429 7.112 1.00 0.00 N ATOM 494 CA HIS A 34 -2.566 -11.965 8.195 1.00 0.00 C ATOM 495 C HIS A 34 -3.389 -10.777 7.709 1.00 0.00 C ATOM 496 O HIS A 34 -2.945 -10.022 6.843 1.00 0.00 O ATOM 497 CB HIS A 34 -1.680 -11.620 9.392 1.00 0.00 C ATOM 498 CG HIS A 34 -0.781 -12.759 9.826 1.00 0.00 C ATOM 499 ND1 HIS A 34 0.502 -12.631 10.300 1.00 0.00 N ATOM 500 CD2 HIS A 34 -1.062 -14.099 9.772 1.00 0.00 C ATOM 501 CE1 HIS A 34 0.972 -13.864 10.558 1.00 0.00 C ATOM 502 NE2 HIS A 34 0.041 -14.792 10.280 1.00 0.00 N ATOM 0 H HIS A 34 -0.962 -11.783 6.877 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.269 -12.736 8.511 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.064 -10.757 9.141 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.313 -11.327 10.230 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.975 -14.542 9.402 1.00 0.00 H new ATOM 0 HE1 HIS A 34 1.961 -14.079 10.936 1.00 0.00 H new ATOM 0 HE2 HIS A 34 0.123 -15.800 10.413 1.00 0.00 H new ATOM 510 N SER A 35 -4.612 -10.617 8.214 1.00 0.00 N ATOM 511 CA SER A 35 -5.446 -9.494 7.798 1.00 0.00 C ATOM 512 C SER A 35 -4.732 -8.199 8.194 1.00 0.00 C ATOM 513 O SER A 35 -4.125 -8.133 9.265 1.00 0.00 O ATOM 514 CB SER A 35 -6.833 -9.599 8.416 1.00 0.00 C ATOM 515 OG SER A 35 -7.386 -10.870 8.114 1.00 0.00 O ATOM 0 H SER A 35 -5.040 -11.239 8.899 1.00 0.00 H new ATOM 0 HA SER A 35 -5.590 -9.502 6.718 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.774 -9.463 9.496 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.477 -8.809 8.030 1.00 0.00 H new ATOM 0 HG SER A 35 -8.279 -10.941 8.512 1.00 0.00 H new ATOM 521 N GLY A 36 -4.795 -7.178 7.341 1.00 0.00 N ATOM 522 CA GLY A 36 -4.136 -5.914 7.589 1.00 0.00 C ATOM 523 C GLY A 36 -2.768 -5.868 6.915 1.00 0.00 C ATOM 524 O GLY A 36 -2.180 -4.785 6.855 1.00 0.00 O ATOM 0 H GLY A 36 -5.307 -7.212 6.460 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.756 -5.098 7.218 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.021 -5.764 8.663 1.00 0.00 H new ATOM 528 N ASP A 37 -2.255 -7.011 6.436 1.00 0.00 N ATOM 529 CA ASP A 37 -0.980 -7.088 5.730 1.00 0.00 C ATOM 530 C ASP A 37 -1.239 -6.386 4.399 1.00 0.00 C ATOM 531 O ASP A 37 -2.256 -6.671 3.754 1.00 0.00 O ATOM 532 CB ASP A 37 -0.552 -8.539 5.406 1.00 0.00 C ATOM 533 CG ASP A 37 0.214 -9.306 6.489 1.00 0.00 C ATOM 534 OD1 ASP A 37 0.668 -8.693 7.493 1.00 0.00 O ATOM 535 OD2 ASP A 37 0.427 -10.528 6.291 1.00 0.00 O ATOM 0 H ASP A 37 -2.722 -7.913 6.532 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.192 -6.651 6.344 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.449 -9.108 5.161 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.066 -8.516 4.509 1.00 0.00 H new ATOM 540 N PHE A 38 -0.341 -5.500 3.964 1.00 0.00 N ATOM 541 CA PHE A 38 -0.461 -4.773 2.705 1.00 0.00 C ATOM 542 C PHE A 38 0.890 -4.650 1.984 1.00 0.00 C ATOM 543 O PHE A 38 1.954 -4.786 2.596 1.00 0.00 O ATOM 544 CB PHE A 38 -1.046 -3.381 3.015 1.00 0.00 C ATOM 545 CG PHE A 38 -0.032 -2.356 3.483 1.00 0.00 C ATOM 546 CD1 PHE A 38 0.712 -1.600 2.553 1.00 0.00 C ATOM 547 CD2 PHE A 38 0.198 -2.188 4.856 1.00 0.00 C ATOM 548 CE1 PHE A 38 1.686 -0.686 2.995 1.00 0.00 C ATOM 549 CE2 PHE A 38 1.168 -1.272 5.291 1.00 0.00 C ATOM 550 CZ PHE A 38 1.900 -0.506 4.368 1.00 0.00 C ATOM 0 H PHE A 38 0.503 -5.266 4.487 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.120 -5.322 2.032 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.539 -3.002 2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.814 -3.487 3.781 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.533 -1.724 1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.369 -2.761 5.575 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.267 -0.125 2.278 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.354 -1.154 6.348 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.623 0.217 4.715 1.00 0.00 H new ATOM 560 N LEU A 39 0.843 -4.377 0.675 1.00 0.00 N ATOM 561 CA LEU A 39 1.977 -4.180 -0.231 1.00 0.00 C ATOM 562 C LEU A 39 1.526 -3.419 -1.486 1.00 0.00 C ATOM 563 O LEU A 39 0.324 -3.375 -1.770 1.00 0.00 O ATOM 564 CB LEU A 39 2.632 -5.527 -0.590 1.00 0.00 C ATOM 565 CG LEU A 39 1.988 -6.448 -1.652 1.00 0.00 C ATOM 566 CD1 LEU A 39 0.486 -6.651 -1.488 1.00 0.00 C ATOM 567 CD2 LEU A 39 2.329 -6.100 -3.107 1.00 0.00 C ATOM 0 H LEU A 39 -0.049 -4.282 0.189 1.00 0.00 H new ATOM 0 HA LEU A 39 2.731 -3.578 0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.648 -5.314 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.711 -6.103 0.332 1.00 0.00 H new ATOM 0 HG LEU A 39 2.468 -7.403 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.120 -7.310 -2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.284 -7.100 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.021 -5.688 -1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.831 -6.802 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.992 -5.087 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.407 -6.163 -3.253 1.00 0.00 H new ATOM 579 N VAL A 40 2.427 -2.827 -2.272 1.00 0.00 N ATOM 580 CA VAL A 40 2.051 -2.109 -3.495 1.00 0.00 C ATOM 581 C VAL A 40 2.692 -2.817 -4.681 1.00 0.00 C ATOM 582 O VAL A 40 3.857 -3.232 -4.609 1.00 0.00 O ATOM 583 CB VAL A 40 2.321 -0.589 -3.400 1.00 0.00 C ATOM 584 CG1 VAL A 40 3.479 -0.066 -4.241 1.00 0.00 C ATOM 585 CG2 VAL A 40 1.073 0.212 -3.780 1.00 0.00 C ATOM 0 H VAL A 40 3.429 -2.830 -2.083 1.00 0.00 H new ATOM 0 HA VAL A 40 0.972 -2.145 -3.642 1.00 0.00 H new ATOM 0 HB VAL A 40 2.600 -0.448 -2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.576 1.010 -4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.402 -0.558 -3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.288 -0.275 -5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.288 1.278 -3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.783 -0.029 -4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.258 -0.042 -3.103 1.00 0.00 H new ATOM 595 N ARG A 41 1.920 -2.965 -5.758 1.00 0.00 N ATOM 596 CA ARG A 41 2.353 -3.609 -6.986 1.00 0.00 C ATOM 597 C ARG A 41 1.993 -2.712 -8.162 1.00 0.00 C ATOM 598 O ARG A 41 1.057 -1.912 -8.057 1.00 0.00 O ATOM 599 CB ARG A 41 1.760 -5.023 -7.092 1.00 0.00 C ATOM 600 CG ARG A 41 0.266 -4.997 -7.413 1.00 0.00 C ATOM 601 CD ARG A 41 -0.356 -6.391 -7.346 1.00 0.00 C ATOM 602 NE ARG A 41 -1.595 -6.453 -8.140 1.00 0.00 N ATOM 603 CZ ARG A 41 -1.583 -6.400 -9.486 1.00 0.00 C ATOM 604 NH1 ARG A 41 -0.462 -6.628 -10.165 1.00 0.00 N ATOM 605 NH2 ARG A 41 -2.689 -6.090 -10.155 1.00 0.00 N ATOM 0 H ARG A 41 0.957 -2.631 -5.796 1.00 0.00 H new ATOM 0 HA ARG A 41 3.435 -3.741 -6.991 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.287 -5.580 -7.867 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.920 -5.554 -6.154 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.245 -4.338 -6.711 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.116 -4.580 -8.409 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.355 -7.129 -7.717 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.571 -6.648 -6.309 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.489 -6.539 -7.656 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.401 -6.846 -9.667 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.465 -6.585 -11.184 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.552 -5.891 -9.649 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.675 -6.051 -11.174 1.00 0.00 H new ATOM 619 N GLU A 42 2.732 -2.816 -9.256 1.00 0.00 N ATOM 620 CA GLU A 42 2.476 -2.050 -10.469 1.00 0.00 C ATOM 621 C GLU A 42 1.572 -2.926 -11.350 1.00 0.00 C ATOM 622 O GLU A 42 1.615 -4.158 -11.280 1.00 0.00 O ATOM 623 CB GLU A 42 3.809 -1.664 -11.146 1.00 0.00 C ATOM 624 CG GLU A 42 3.633 -1.180 -12.594 1.00 0.00 C ATOM 625 CD GLU A 42 4.950 -0.790 -13.267 1.00 0.00 C ATOM 626 OE1 GLU A 42 5.461 0.328 -13.025 1.00 0.00 O ATOM 627 OE2 GLU A 42 5.474 -1.579 -14.085 1.00 0.00 O ATOM 0 H GLU A 42 3.535 -3.441 -9.329 1.00 0.00 H new ATOM 0 HA GLU A 42 1.972 -1.104 -10.268 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.291 -0.879 -10.563 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.477 -2.525 -11.136 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.154 -1.967 -13.177 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.960 -0.322 -12.604 1.00 0.00 H new ATOM 634 N SER A 43 0.709 -2.299 -12.146 1.00 0.00 N ATOM 635 CA SER A 43 -0.182 -2.991 -13.056 1.00 0.00 C ATOM 636 C SER A 43 0.686 -3.391 -14.253 1.00 0.00 C ATOM 637 O SER A 43 1.253 -2.538 -14.931 1.00 0.00 O ATOM 638 CB SER A 43 -1.343 -2.060 -13.390 1.00 0.00 C ATOM 639 OG SER A 43 -2.365 -2.699 -14.121 1.00 0.00 O ATOM 0 H SER A 43 0.613 -1.284 -12.173 1.00 0.00 H new ATOM 0 HA SER A 43 -0.640 -3.893 -12.650 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.760 -1.661 -12.465 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.969 -1.212 -13.963 1.00 0.00 H new ATOM 0 HG SER A 43 -3.084 -2.059 -14.307 1.00 0.00 H new ATOM 645 N GLN A 44 0.804 -4.695 -14.487 1.00 0.00 N ATOM 646 CA GLN A 44 1.598 -5.317 -15.539 1.00 0.00 C ATOM 647 C GLN A 44 1.393 -4.689 -16.919 1.00 0.00 C ATOM 648 O GLN A 44 0.378 -4.942 -17.585 1.00 0.00 O ATOM 649 CB GLN A 44 1.343 -6.833 -15.572 1.00 0.00 C ATOM 650 CG GLN A 44 1.551 -7.498 -14.204 1.00 0.00 C ATOM 651 CD GLN A 44 0.236 -7.728 -13.474 1.00 0.00 C ATOM 652 OE1 GLN A 44 -0.367 -6.816 -12.916 1.00 0.00 O ATOM 653 NE2 GLN A 44 -0.256 -8.950 -13.474 1.00 0.00 N ATOM 0 H GLN A 44 0.319 -5.385 -13.913 1.00 0.00 H new ATOM 0 HA GLN A 44 2.643 -5.133 -15.290 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.324 -7.019 -15.911 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.010 -7.294 -16.301 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.062 -8.451 -14.339 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.200 -6.872 -13.592 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.250 -9.703 -13.939 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.143 -9.143 -13.009 1.00 0.00 H new ATOM 662 N GLY A 45 2.382 -3.921 -17.379 1.00 0.00 N ATOM 663 CA GLY A 45 2.357 -3.259 -18.673 1.00 0.00 C ATOM 664 C GLY A 45 1.540 -1.980 -18.666 1.00 0.00 C ATOM 665 O GLY A 45 0.834 -1.709 -19.638 1.00 0.00 O ATOM 0 H GLY A 45 3.235 -3.742 -16.849 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.378 -3.030 -18.978 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.947 -3.942 -19.417 1.00 0.00 H new ATOM 669 N LYS A 46 1.565 -1.235 -17.568 1.00 0.00 N ATOM 670 CA LYS A 46 0.862 0.022 -17.374 1.00 0.00 C ATOM 671 C LYS A 46 1.633 0.792 -16.298 1.00 0.00 C ATOM 672 O LYS A 46 2.529 0.231 -15.660 1.00 0.00 O ATOM 673 CB LYS A 46 -0.575 -0.319 -16.925 1.00 0.00 C ATOM 674 CG LYS A 46 -1.600 0.824 -16.954 1.00 0.00 C ATOM 675 CD LYS A 46 -1.916 1.270 -18.384 1.00 0.00 C ATOM 676 CE LYS A 46 -3.093 2.248 -18.380 1.00 0.00 C ATOM 677 NZ LYS A 46 -3.400 2.714 -19.744 1.00 0.00 N ATOM 0 H LYS A 46 2.105 -1.508 -16.747 1.00 0.00 H new ATOM 0 HA LYS A 46 0.803 0.633 -18.275 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.947 -1.124 -17.559 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.530 -0.709 -15.908 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.518 0.501 -16.463 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.216 1.671 -16.386 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.040 1.744 -18.828 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.155 0.403 -19.000 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.971 1.764 -17.952 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.858 3.102 -17.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.202 3.376 -19.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.569 3.196 -20.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.647 1.900 -20.342 1.00 0.00 H new ATOM 691 N GLN A 47 1.289 2.058 -16.082 1.00 0.00 N ATOM 692 CA GLN A 47 1.900 2.911 -15.078 1.00 0.00 C ATOM 693 C GLN A 47 0.758 3.305 -14.147 1.00 0.00 C ATOM 694 O GLN A 47 0.252 4.426 -14.192 1.00 0.00 O ATOM 695 CB GLN A 47 2.632 4.096 -15.721 1.00 0.00 C ATOM 696 CG GLN A 47 3.439 4.901 -14.691 1.00 0.00 C ATOM 697 CD GLN A 47 4.361 5.936 -15.330 1.00 0.00 C ATOM 698 OE1 GLN A 47 5.568 5.941 -15.097 1.00 0.00 O ATOM 699 NE2 GLN A 47 3.850 6.882 -16.095 1.00 0.00 N ATOM 0 H GLN A 47 0.558 2.528 -16.616 1.00 0.00 H new ATOM 0 HA GLN A 47 2.684 2.409 -14.512 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.301 3.730 -16.500 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.907 4.750 -16.205 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.751 5.406 -14.013 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.035 4.215 -14.088 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.850 6.890 -16.297 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.455 7.605 -16.485 1.00 0.00 H new ATOM 708 N GLU A 48 0.257 2.328 -13.394 1.00 0.00 N ATOM 709 CA GLU A 48 -0.824 2.515 -12.443 1.00 0.00 C ATOM 710 C GLU A 48 -0.608 1.502 -11.330 1.00 0.00 C ATOM 711 O GLU A 48 -0.566 0.295 -11.584 1.00 0.00 O ATOM 712 CB GLU A 48 -2.199 2.325 -13.108 1.00 0.00 C ATOM 713 CG GLU A 48 -3.343 2.774 -12.176 1.00 0.00 C ATOM 714 CD GLU A 48 -3.572 4.287 -12.232 1.00 0.00 C ATOM 715 OE1 GLU A 48 -2.581 5.045 -12.156 1.00 0.00 O ATOM 716 OE2 GLU A 48 -4.730 4.730 -12.410 1.00 0.00 O ATOM 0 H GLU A 48 0.601 1.368 -13.432 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.817 3.532 -12.050 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.238 2.896 -14.035 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.334 1.277 -13.373 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.262 2.258 -12.456 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.112 2.480 -11.152 1.00 0.00 H new ATOM 723 N TYR A 49 -0.473 1.970 -10.096 1.00 0.00 N ATOM 724 CA TYR A 49 -0.252 1.098 -8.956 1.00 0.00 C ATOM 725 C TYR A 49 -1.556 0.491 -8.418 1.00 0.00 C ATOM 726 O TYR A 49 -2.664 0.956 -8.706 1.00 0.00 O ATOM 727 CB TYR A 49 0.460 1.893 -7.864 1.00 0.00 C ATOM 728 CG TYR A 49 1.743 2.596 -8.283 1.00 0.00 C ATOM 729 CD1 TYR A 49 2.860 1.841 -8.682 1.00 0.00 C ATOM 730 CD2 TYR A 49 1.842 4.002 -8.214 1.00 0.00 C ATOM 731 CE1 TYR A 49 4.060 2.480 -9.033 1.00 0.00 C ATOM 732 CE2 TYR A 49 3.055 4.646 -8.523 1.00 0.00 C ATOM 733 CZ TYR A 49 4.170 3.887 -8.942 1.00 0.00 C ATOM 734 OH TYR A 49 5.342 4.501 -9.268 1.00 0.00 O ATOM 0 H TYR A 49 -0.514 2.962 -9.860 1.00 0.00 H new ATOM 0 HA TYR A 49 0.366 0.260 -9.280 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.232 2.641 -7.477 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.691 1.217 -7.041 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.795 0.764 -8.719 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.982 4.587 -7.923 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.902 1.895 -9.374 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.133 5.720 -8.440 1.00 0.00 H new ATOM 0 HH TYR A 49 5.247 5.469 -9.151 1.00 0.00 H new ATOM 744 N VAL A 50 -1.403 -0.524 -7.573 1.00 0.00 N ATOM 745 CA VAL A 50 -2.450 -1.284 -6.899 1.00 0.00 C ATOM 746 C VAL A 50 -1.983 -1.562 -5.466 1.00 0.00 C ATOM 747 O VAL A 50 -0.855 -2.024 -5.263 1.00 0.00 O ATOM 748 CB VAL A 50 -2.701 -2.609 -7.650 1.00 0.00 C ATOM 749 CG1 VAL A 50 -3.726 -3.478 -6.913 1.00 0.00 C ATOM 750 CG2 VAL A 50 -3.140 -2.405 -9.100 1.00 0.00 C ATOM 0 H VAL A 50 -0.474 -0.862 -7.323 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.383 -0.721 -6.884 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.740 -3.123 -7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.882 -4.404 -7.466 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.356 -3.709 -5.914 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.670 -2.939 -6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.300 -3.375 -9.572 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.068 -1.833 -9.122 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.366 -1.861 -9.642 1.00 0.00 H new ATOM 760 N LEU A 51 -2.859 -1.348 -4.484 1.00 0.00 N ATOM 761 CA LEU A 51 -2.638 -1.553 -3.058 1.00 0.00 C ATOM 762 C LEU A 51 -3.465 -2.775 -2.637 1.00 0.00 C ATOM 763 O LEU A 51 -4.671 -2.670 -2.399 1.00 0.00 O ATOM 764 CB LEU A 51 -3.040 -0.259 -2.318 1.00 0.00 C ATOM 765 CG LEU A 51 -2.477 -0.049 -0.898 1.00 0.00 C ATOM 766 CD1 LEU A 51 -0.945 -0.102 -0.811 1.00 0.00 C ATOM 767 CD2 LEU A 51 -2.898 1.322 -0.355 1.00 0.00 C ATOM 0 H LEU A 51 -3.800 -1.005 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.595 -1.753 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.733 0.589 -2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.128 -0.230 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.886 -0.875 -0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.634 0.055 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.595 -1.076 -1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.518 0.678 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.493 1.456 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.515 2.106 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.986 1.380 -0.318 1.00 0.00 H new ATOM 779 N SER A 52 -2.859 -3.966 -2.652 1.00 0.00 N ATOM 780 CA SER A 52 -3.507 -5.208 -2.295 1.00 0.00 C ATOM 781 C SER A 52 -3.340 -5.434 -0.790 1.00 0.00 C ATOM 782 O SER A 52 -2.201 -5.509 -0.333 1.00 0.00 O ATOM 783 CB SER A 52 -2.863 -6.332 -3.116 1.00 0.00 C ATOM 784 OG SER A 52 -3.562 -7.550 -2.977 1.00 0.00 O ATOM 0 H SER A 52 -1.882 -4.084 -2.920 1.00 0.00 H new ATOM 0 HA SER A 52 -4.574 -5.185 -2.514 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.838 -6.045 -4.167 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.829 -6.468 -2.798 1.00 0.00 H new ATOM 0 HG SER A 52 -4.307 -7.574 -3.613 1.00 0.00 H new ATOM 790 N VAL A 53 -4.411 -5.476 0.000 1.00 0.00 N ATOM 791 CA VAL A 53 -4.337 -5.736 1.451 1.00 0.00 C ATOM 792 C VAL A 53 -5.189 -6.981 1.735 1.00 0.00 C ATOM 793 O VAL A 53 -6.145 -7.240 1.006 1.00 0.00 O ATOM 794 CB VAL A 53 -4.711 -4.513 2.334 1.00 0.00 C ATOM 795 CG1 VAL A 53 -4.843 -3.184 1.591 1.00 0.00 C ATOM 796 CG2 VAL A 53 -5.947 -4.715 3.168 1.00 0.00 C ATOM 0 H VAL A 53 -5.361 -5.331 -0.342 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.301 -5.922 1.733 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.840 -4.446 2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.106 -2.397 2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.895 -2.939 1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.622 -3.267 0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.141 -3.817 3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.798 -4.912 2.516 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.799 -5.562 3.838 1.00 0.00 H new ATOM 806 N LEU A 54 -4.878 -7.762 2.770 1.00 0.00 N ATOM 807 CA LEU A 54 -5.652 -8.956 3.112 1.00 0.00 C ATOM 808 C LEU A 54 -6.689 -8.600 4.167 1.00 0.00 C ATOM 809 O LEU A 54 -6.370 -7.889 5.117 1.00 0.00 O ATOM 810 CB LEU A 54 -4.699 -10.052 3.596 1.00 0.00 C ATOM 811 CG LEU A 54 -5.354 -11.381 4.015 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.221 -11.985 2.910 1.00 0.00 C ATOM 813 CD2 LEU A 54 -4.261 -12.395 4.340 1.00 0.00 C ATOM 0 H LEU A 54 -4.088 -7.587 3.391 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.182 -9.333 2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.981 -10.258 2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.134 -9.666 4.444 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.987 -11.165 4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.658 -12.920 3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.017 -11.288 2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.607 -12.178 2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.717 -13.339 4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.639 -12.554 3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.645 -12.017 5.156 1.00 0.00 H new ATOM 825 N TRP A 55 -7.925 -9.075 4.011 1.00 0.00 N ATOM 826 CA TRP A 55 -8.989 -8.815 4.967 1.00 0.00 C ATOM 827 C TRP A 55 -10.041 -9.900 4.837 1.00 0.00 C ATOM 828 O TRP A 55 -10.426 -10.224 3.709 1.00 0.00 O ATOM 829 CB TRP A 55 -9.619 -7.453 4.688 1.00 0.00 C ATOM 830 CG TRP A 55 -10.335 -6.875 5.863 1.00 0.00 C ATOM 831 CD1 TRP A 55 -11.665 -6.944 6.092 1.00 0.00 C ATOM 832 CD2 TRP A 55 -9.769 -6.153 6.997 1.00 0.00 C ATOM 833 NE1 TRP A 55 -11.963 -6.294 7.270 1.00 0.00 N ATOM 834 CE2 TRP A 55 -10.835 -5.778 7.869 1.00 0.00 C ATOM 835 CE3 TRP A 55 -8.464 -5.767 7.375 1.00 0.00 C ATOM 836 CZ2 TRP A 55 -10.614 -5.047 9.046 1.00 0.00 C ATOM 837 CZ3 TRP A 55 -8.236 -5.045 8.557 1.00 0.00 C ATOM 838 CH2 TRP A 55 -9.304 -4.676 9.390 1.00 0.00 C ATOM 0 H TRP A 55 -8.211 -9.649 3.218 1.00 0.00 H new ATOM 0 HA TRP A 55 -8.580 -8.813 5.978 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.840 -6.760 4.370 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -10.319 -7.549 3.858 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -12.383 -7.433 5.451 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.905 -6.206 7.652 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.628 -6.032 6.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.443 -4.772 9.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.227 -4.770 8.829 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -9.119 -4.110 10.291 1.00 0.00 H new ATOM 849 N ASP A 56 -10.521 -10.437 5.964 1.00 0.00 N ATOM 850 CA ASP A 56 -11.536 -11.496 6.000 1.00 0.00 C ATOM 851 C ASP A 56 -11.127 -12.637 5.051 1.00 0.00 C ATOM 852 O ASP A 56 -11.900 -13.098 4.210 1.00 0.00 O ATOM 853 CB ASP A 56 -12.919 -10.863 5.745 1.00 0.00 C ATOM 854 CG ASP A 56 -14.130 -11.803 5.736 1.00 0.00 C ATOM 855 OD1 ASP A 56 -14.077 -12.944 6.243 1.00 0.00 O ATOM 856 OD2 ASP A 56 -15.189 -11.346 5.237 1.00 0.00 O ATOM 0 H ASP A 56 -10.211 -10.144 6.890 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.610 -11.970 6.979 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.088 -10.102 6.507 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.883 -10.349 4.784 1.00 0.00 H new ATOM 861 N GLY A 57 -9.856 -13.052 5.138 1.00 0.00 N ATOM 862 CA GLY A 57 -9.260 -14.129 4.348 1.00 0.00 C ATOM 863 C GLY A 57 -9.191 -13.904 2.832 1.00 0.00 C ATOM 864 O GLY A 57 -8.800 -14.828 2.116 1.00 0.00 O ATOM 0 H GLY A 57 -9.192 -12.628 5.786 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.248 -14.302 4.714 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.826 -15.042 4.533 1.00 0.00 H new ATOM 868 N LEU A 58 -9.502 -12.709 2.316 1.00 0.00 N ATOM 869 CA LEU A 58 -9.481 -12.423 0.882 1.00 0.00 C ATOM 870 C LEU A 58 -8.592 -11.213 0.572 1.00 0.00 C ATOM 871 O LEU A 58 -8.803 -10.159 1.172 1.00 0.00 O ATOM 872 CB LEU A 58 -10.929 -12.214 0.427 1.00 0.00 C ATOM 873 CG LEU A 58 -11.175 -12.434 -1.072 1.00 0.00 C ATOM 874 CD1 LEU A 58 -12.659 -12.744 -1.280 1.00 0.00 C ATOM 875 CD2 LEU A 58 -10.817 -11.225 -1.945 1.00 0.00 C ATOM 0 H LEU A 58 -9.777 -11.910 2.888 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.047 -13.258 0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.572 -12.891 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.232 -11.199 0.685 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.526 -13.255 -1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.852 -12.903 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -12.924 -13.643 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.259 -11.907 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.019 -11.459 -2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -11.418 -10.367 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -9.760 -10.989 -1.823 1.00 0.00 H new ATOM 887 N PRO A 59 -7.595 -11.328 -0.328 1.00 0.00 N ATOM 888 CA PRO A 59 -6.714 -10.228 -0.693 1.00 0.00 C ATOM 889 C PRO A 59 -7.484 -9.215 -1.545 1.00 0.00 C ATOM 890 O PRO A 59 -7.774 -9.429 -2.725 1.00 0.00 O ATOM 891 CB PRO A 59 -5.537 -10.875 -1.418 1.00 0.00 C ATOM 892 CG PRO A 59 -6.147 -12.117 -2.066 1.00 0.00 C ATOM 893 CD PRO A 59 -7.244 -12.524 -1.084 1.00 0.00 C ATOM 0 HA PRO A 59 -6.345 -9.661 0.162 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.108 -10.205 -2.163 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.736 -11.137 -0.727 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.553 -11.897 -3.054 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.408 -12.908 -2.194 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.112 -12.915 -1.614 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.894 -13.314 -0.419 1.00 0.00 H new ATOM 901 N ARG A 60 -7.887 -8.133 -0.895 1.00 0.00 N ATOM 902 CA ARG A 60 -8.635 -7.016 -1.431 1.00 0.00 C ATOM 903 C ARG A 60 -7.699 -6.158 -2.271 1.00 0.00 C ATOM 904 O ARG A 60 -6.743 -5.588 -1.744 1.00 0.00 O ATOM 905 CB ARG A 60 -9.199 -6.183 -0.274 1.00 0.00 C ATOM 906 CG ARG A 60 -9.897 -6.957 0.859 1.00 0.00 C ATOM 907 CD ARG A 60 -11.166 -7.679 0.414 1.00 0.00 C ATOM 908 NE ARG A 60 -11.632 -8.641 1.424 1.00 0.00 N ATOM 909 CZ ARG A 60 -12.814 -9.269 1.419 1.00 0.00 C ATOM 910 NH1 ARG A 60 -13.768 -8.967 0.541 1.00 0.00 N ATOM 911 NH2 ARG A 60 -13.026 -10.252 2.280 1.00 0.00 N ATOM 0 H ARG A 60 -7.681 -8.008 0.096 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.458 -7.377 -2.048 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.382 -5.607 0.160 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.910 -5.467 -0.685 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.200 -7.686 1.273 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.146 -6.263 1.662 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.951 -6.948 0.220 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.977 -8.201 -0.524 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.999 -8.848 2.196 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.609 -8.238 -0.155 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.658 -9.465 0.564 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.293 -10.522 2.936 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.922 -10.739 2.287 1.00 0.00 H new ATOM 925 N HIS A 61 -7.940 -6.071 -3.574 1.00 0.00 N ATOM 926 CA HIS A 61 -7.114 -5.275 -4.471 1.00 0.00 C ATOM 927 C HIS A 61 -7.741 -3.894 -4.659 1.00 0.00 C ATOM 928 O HIS A 61 -8.787 -3.793 -5.306 1.00 0.00 O ATOM 929 CB HIS A 61 -6.979 -5.969 -5.831 1.00 0.00 C ATOM 930 CG HIS A 61 -6.412 -7.365 -5.817 1.00 0.00 C ATOM 931 ND1 HIS A 61 -5.235 -7.801 -5.249 1.00 0.00 N ATOM 932 CD2 HIS A 61 -6.969 -8.429 -6.468 1.00 0.00 C ATOM 933 CE1 HIS A 61 -5.072 -9.091 -5.583 1.00 0.00 C ATOM 934 NE2 HIS A 61 -6.093 -9.515 -6.347 1.00 0.00 N ATOM 0 H HIS A 61 -8.713 -6.550 -4.037 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.122 -5.168 -4.031 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.964 -6.005 -6.296 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.348 -5.350 -6.469 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -7.917 -8.432 -6.985 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.236 -9.703 -5.280 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.207 -10.442 -6.757 1.00 0.00 H new ATOM 942 N PHE A 62 -7.151 -2.832 -4.105 1.00 0.00 N ATOM 943 CA PHE A 62 -7.660 -1.477 -4.261 1.00 0.00 C ATOM 944 C PHE A 62 -6.764 -0.776 -5.288 1.00 0.00 C ATOM 945 O PHE A 62 -5.546 -0.714 -5.114 1.00 0.00 O ATOM 946 CB PHE A 62 -7.666 -0.765 -2.906 1.00 0.00 C ATOM 947 CG PHE A 62 -8.549 -1.426 -1.857 1.00 0.00 C ATOM 948 CD1 PHE A 62 -9.924 -1.122 -1.806 1.00 0.00 C ATOM 949 CD2 PHE A 62 -8.006 -2.339 -0.929 1.00 0.00 C ATOM 950 CE1 PHE A 62 -10.747 -1.711 -0.829 1.00 0.00 C ATOM 951 CE2 PHE A 62 -8.819 -2.888 0.074 1.00 0.00 C ATOM 952 CZ PHE A 62 -10.189 -2.586 0.120 1.00 0.00 C ATOM 0 H PHE A 62 -6.307 -2.893 -3.536 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.690 -1.468 -4.618 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.645 -0.719 -2.528 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -7.999 0.263 -3.050 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -10.348 -0.433 -2.521 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.964 -2.616 -0.991 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.804 -1.492 -0.808 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.389 -3.546 0.814 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.814 -3.025 0.883 1.00 0.00 H new ATOM 962 N ILE A 63 -7.328 -0.357 -6.420 1.00 0.00 N ATOM 963 CA ILE A 63 -6.616 0.341 -7.480 1.00 0.00 C ATOM 964 C ILE A 63 -6.432 1.776 -6.990 1.00 0.00 C ATOM 965 O ILE A 63 -7.411 2.442 -6.636 1.00 0.00 O ATOM 966 CB ILE A 63 -7.404 0.307 -8.808 1.00 0.00 C ATOM 967 CG1 ILE A 63 -7.637 -1.130 -9.334 1.00 0.00 C ATOM 968 CG2 ILE A 63 -6.637 1.123 -9.871 1.00 0.00 C ATOM 969 CD1 ILE A 63 -8.837 -1.866 -8.719 1.00 0.00 C ATOM 0 H ILE A 63 -8.317 -0.499 -6.627 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.658 -0.136 -7.686 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.385 0.740 -8.615 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.773 -1.086 -10.415 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.738 -1.717 -9.149 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.187 1.104 -10.812 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.533 2.154 -9.533 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.649 0.688 -10.020 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.914 -2.863 -9.153 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.699 -1.949 -7.641 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.751 -1.309 -8.926 1.00 0.00 H new ATOM 981 N ILE A 64 -5.188 2.244 -6.964 1.00 0.00 N ATOM 982 CA ILE A 64 -4.870 3.596 -6.524 1.00 0.00 C ATOM 983 C ILE A 64 -5.400 4.578 -7.577 1.00 0.00 C ATOM 984 O ILE A 64 -5.363 4.305 -8.781 1.00 0.00 O ATOM 985 CB ILE A 64 -3.344 3.727 -6.285 1.00 0.00 C ATOM 986 CG1 ILE A 64 -2.874 2.544 -5.395 1.00 0.00 C ATOM 987 CG2 ILE A 64 -2.963 5.096 -5.679 1.00 0.00 C ATOM 988 CD1 ILE A 64 -1.544 2.725 -4.667 1.00 0.00 C ATOM 0 H ILE A 64 -4.375 1.697 -7.247 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.350 3.828 -5.573 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.829 3.680 -7.245 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.646 2.349 -4.651 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.802 1.654 -6.020 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.884 5.140 -5.530 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.268 5.892 -6.358 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.467 5.223 -4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.326 1.833 -4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.749 2.883 -5.396 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.606 3.589 -4.005 1.00 0.00 H new ATOM 1000 N GLN A 65 -5.950 5.702 -7.122 1.00 0.00 N ATOM 1001 CA GLN A 65 -6.481 6.769 -7.961 1.00 0.00 C ATOM 1002 C GLN A 65 -5.449 7.894 -7.958 1.00 0.00 C ATOM 1003 O GLN A 65 -4.881 8.206 -6.904 1.00 0.00 O ATOM 1004 CB GLN A 65 -7.815 7.321 -7.425 1.00 0.00 C ATOM 1005 CG GLN A 65 -8.854 6.259 -7.050 1.00 0.00 C ATOM 1006 CD GLN A 65 -9.312 5.444 -8.251 1.00 0.00 C ATOM 1007 OE1 GLN A 65 -9.990 5.961 -9.136 1.00 0.00 O ATOM 1008 NE2 GLN A 65 -8.936 4.179 -8.341 1.00 0.00 N ATOM 0 H GLN A 65 -6.040 5.900 -6.125 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.669 6.377 -8.960 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.610 7.933 -6.547 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.247 7.979 -8.179 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.431 5.590 -6.301 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.717 6.744 -6.594 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.373 3.760 -7.600 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.209 3.622 -9.151 1.00 0.00 H new ATOM 1017 N SER A 66 -5.251 8.523 -9.108 1.00 0.00 N ATOM 1018 CA SER A 66 -4.316 9.626 -9.305 1.00 0.00 C ATOM 1019 C SER A 66 -4.950 10.595 -10.290 1.00 0.00 C ATOM 1020 O SER A 66 -4.904 10.328 -11.494 1.00 0.00 O ATOM 1021 CB SER A 66 -2.980 9.082 -9.820 1.00 0.00 C ATOM 1022 OG SER A 66 -3.143 8.190 -10.908 1.00 0.00 O ATOM 0 H SER A 66 -5.753 8.272 -9.960 1.00 0.00 H new ATOM 0 HA SER A 66 -4.112 10.148 -8.370 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.347 9.914 -10.128 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.462 8.570 -9.009 1.00 0.00 H new ATOM 0 HG SER A 66 -3.801 8.556 -11.535 1.00 0.00 H new ATOM 1028 N LEU A 67 -5.560 11.682 -9.808 1.00 0.00 N ATOM 1029 CA LEU A 67 -6.220 12.651 -10.696 1.00 0.00 C ATOM 1030 C LEU A 67 -5.834 14.081 -10.357 1.00 0.00 C ATOM 1031 O LEU A 67 -5.291 14.811 -11.183 1.00 0.00 O ATOM 1032 CB LEU A 67 -7.762 12.546 -10.613 1.00 0.00 C ATOM 1033 CG LEU A 67 -8.395 11.150 -10.686 1.00 0.00 C ATOM 1034 CD1 LEU A 67 -9.889 11.279 -10.391 1.00 0.00 C ATOM 1035 CD2 LEU A 67 -8.249 10.463 -12.050 1.00 0.00 C ATOM 0 H LEU A 67 -5.612 11.914 -8.816 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.884 12.406 -11.704 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.078 13.007 -9.677 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.181 13.145 -11.421 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.867 10.536 -9.957 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.356 10.295 -10.439 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.028 11.699 -9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.350 11.935 -11.129 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.723 9.482 -12.016 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.728 11.071 -12.817 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.192 10.347 -12.288 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.098 14.452 -9.111 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.887 15.761 -8.505 1.00 0.00 C ATOM 1049 C ASP A 68 -4.450 15.951 -8.011 1.00 0.00 C ATOM 1050 O ASP A 68 -4.192 16.856 -7.213 1.00 0.00 O ATOM 1051 CB ASP A 68 -6.856 15.848 -7.309 1.00 0.00 C ATOM 1052 CG ASP A 68 -8.347 15.836 -7.655 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -8.738 15.855 -8.842 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -9.151 15.692 -6.704 1.00 0.00 O ATOM 0 H ASP A 68 -6.498 13.792 -8.444 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.066 16.540 -9.246 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.651 15.013 -6.639 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.638 16.761 -6.756 1.00 0.00 H new ATOM 1059 N ASN A 69 -3.512 15.091 -8.431 1.00 0.00 N ATOM 1060 CA ASN A 69 -2.096 15.087 -8.025 1.00 0.00 C ATOM 1061 C ASN A 69 -1.950 14.751 -6.532 1.00 0.00 C ATOM 1062 O ASN A 69 -0.910 14.971 -5.916 1.00 0.00 O ATOM 1063 CB ASN A 69 -1.367 16.372 -8.434 1.00 0.00 C ATOM 1064 CG ASN A 69 0.144 16.224 -8.290 1.00 0.00 C ATOM 1065 OD1 ASN A 69 0.793 15.575 -9.098 1.00 0.00 O ATOM 1066 ND2 ASN A 69 0.755 16.881 -7.314 1.00 0.00 N ATOM 0 H ASN A 69 -3.727 14.345 -9.093 1.00 0.00 H new ATOM 0 HA ASN A 69 -1.595 14.290 -8.574 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.613 16.619 -9.467 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.713 17.201 -7.817 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.771 16.847 -7.234 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.209 17.421 -6.643 1.00 0.00 H new ATOM 1073 N LEU A 70 -3.029 14.259 -5.919 1.00 0.00 N ATOM 1074 CA LEU A 70 -3.100 13.873 -4.524 1.00 0.00 C ATOM 1075 C LEU A 70 -3.753 12.511 -4.554 1.00 0.00 C ATOM 1076 O LEU A 70 -4.950 12.400 -4.847 1.00 0.00 O ATOM 1077 CB LEU A 70 -3.844 14.893 -3.651 1.00 0.00 C ATOM 1078 CG LEU A 70 -2.938 16.073 -3.243 1.00 0.00 C ATOM 1079 CD1 LEU A 70 -3.052 17.240 -4.217 1.00 0.00 C ATOM 1080 CD2 LEU A 70 -3.294 16.596 -1.863 1.00 0.00 C ATOM 0 H LEU A 70 -3.911 14.116 -6.411 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.117 13.840 -4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.710 15.272 -4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.220 14.398 -2.756 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.921 15.681 -3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.398 18.050 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.757 16.912 -5.214 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.083 17.594 -4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.636 17.427 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.329 16.938 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.173 15.799 -1.129 1.00 0.00 H new ATOM 1092 N TYR A 71 -2.928 11.482 -4.374 1.00 0.00 N ATOM 1093 CA TYR A 71 -3.384 10.098 -4.398 1.00 0.00 C ATOM 1094 C TYR A 71 -4.298 9.916 -3.200 1.00 0.00 C ATOM 1095 O TYR A 71 -3.923 10.331 -2.104 1.00 0.00 O ATOM 1096 CB TYR A 71 -2.215 9.114 -4.311 1.00 0.00 C ATOM 1097 CG TYR A 71 -1.141 9.310 -5.354 1.00 0.00 C ATOM 1098 CD1 TYR A 71 -1.300 8.710 -6.611 1.00 0.00 C ATOM 1099 CD2 TYR A 71 0.027 10.037 -5.059 1.00 0.00 C ATOM 1100 CE1 TYR A 71 -0.275 8.792 -7.567 1.00 0.00 C ATOM 1101 CE2 TYR A 71 1.049 10.143 -6.020 1.00 0.00 C ATOM 1102 CZ TYR A 71 0.906 9.506 -7.276 1.00 0.00 C ATOM 1103 OH TYR A 71 1.914 9.554 -8.191 1.00 0.00 O ATOM 0 H TYR A 71 -1.927 11.586 -4.208 1.00 0.00 H new ATOM 0 HA TYR A 71 -3.900 9.895 -5.336 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.762 9.197 -3.323 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -2.605 8.100 -4.398 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.213 8.183 -6.845 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.139 10.513 -4.096 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.391 8.308 -8.526 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.942 10.710 -5.800 1.00 0.00 H new ATOM 0 HH TYR A 71 2.655 10.087 -7.834 1.00 0.00 H new ATOM 1113 N ARG A 72 -5.490 9.370 -3.418 1.00 0.00 N ATOM 1114 CA ARG A 72 -6.521 9.135 -2.405 1.00 0.00 C ATOM 1115 C ARG A 72 -7.468 8.033 -2.866 1.00 0.00 C ATOM 1116 O ARG A 72 -7.464 7.697 -4.053 1.00 0.00 O ATOM 1117 CB ARG A 72 -7.313 10.434 -2.190 1.00 0.00 C ATOM 1118 CG ARG A 72 -8.013 10.929 -3.455 1.00 0.00 C ATOM 1119 CD ARG A 72 -8.756 12.250 -3.235 1.00 0.00 C ATOM 1120 NE ARG A 72 -7.901 13.410 -3.517 1.00 0.00 N ATOM 1121 CZ ARG A 72 -8.355 14.664 -3.635 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -9.643 14.953 -3.462 1.00 0.00 N ATOM 1123 NH2 ARG A 72 -7.501 15.637 -3.938 1.00 0.00 N ATOM 0 H ARG A 72 -5.780 9.064 -4.347 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.049 8.826 -1.472 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.057 10.273 -1.410 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.636 11.209 -1.830 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.276 11.058 -4.248 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.719 10.171 -3.796 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.637 12.283 -3.877 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.110 12.301 -2.205 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.900 13.251 -3.630 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.306 14.212 -3.235 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.967 15.916 -3.557 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.513 15.424 -4.078 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.834 16.597 -4.031 1.00 0.00 H new ATOM 1137 N LEU A 73 -8.308 7.520 -1.977 1.00 0.00 N ATOM 1138 CA LEU A 73 -9.256 6.453 -2.305 1.00 0.00 C ATOM 1139 C LEU A 73 -10.652 6.744 -1.752 1.00 0.00 C ATOM 1140 O LEU A 73 -11.661 6.474 -2.411 1.00 0.00 O ATOM 1141 CB LEU A 73 -8.700 5.132 -1.730 1.00 0.00 C ATOM 1142 CG LEU A 73 -9.112 3.830 -2.441 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -10.625 3.650 -2.607 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -8.429 3.674 -3.800 1.00 0.00 C ATOM 0 H LEU A 73 -8.355 7.829 -1.006 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.363 6.381 -3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.612 5.192 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.009 5.060 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.769 3.044 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.826 2.708 -3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.100 3.640 -1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.027 4.474 -3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.750 2.741 -4.264 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.701 4.511 -4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.348 3.658 -3.664 1.00 0.00 H new ATOM 1156 N GLU A 74 -10.721 7.297 -0.542 1.00 0.00 N ATOM 1157 CA GLU A 74 -11.974 7.602 0.136 1.00 0.00 C ATOM 1158 C GLU A 74 -11.886 8.991 0.770 1.00 0.00 C ATOM 1159 O GLU A 74 -12.725 9.850 0.493 1.00 0.00 O ATOM 1160 CB GLU A 74 -12.210 6.471 1.152 1.00 0.00 C ATOM 1161 CG GLU A 74 -13.548 6.526 1.899 1.00 0.00 C ATOM 1162 CD GLU A 74 -14.783 6.128 1.083 1.00 0.00 C ATOM 1163 OE1 GLU A 74 -14.694 5.641 -0.071 1.00 0.00 O ATOM 1164 OE2 GLU A 74 -15.895 6.291 1.640 1.00 0.00 O ATOM 0 H GLU A 74 -9.894 7.548 0.000 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.826 7.642 -0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.144 5.517 0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.403 6.490 1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.484 5.872 2.769 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.693 7.540 2.272 1.00 0.00 H new ATOM 1171 N GLY A 75 -10.859 9.229 1.585 1.00 0.00 N ATOM 1172 CA GLY A 75 -10.595 10.480 2.275 1.00 0.00 C ATOM 1173 C GLY A 75 -9.731 11.408 1.439 1.00 0.00 C ATOM 1174 O GLY A 75 -9.806 11.401 0.205 1.00 0.00 O ATOM 0 H GLY A 75 -10.158 8.517 1.788 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.538 10.973 2.509 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.098 10.275 3.223 1.00 0.00 H new ATOM 1178 N GLU A 76 -8.966 12.253 2.129 1.00 0.00 N ATOM 1179 CA GLU A 76 -8.049 13.199 1.511 1.00 0.00 C ATOM 1180 C GLU A 76 -6.916 12.418 0.837 1.00 0.00 C ATOM 1181 O GLU A 76 -6.808 11.190 0.957 1.00 0.00 O ATOM 1182 CB GLU A 76 -7.465 14.147 2.576 1.00 0.00 C ATOM 1183 CG GLU A 76 -8.424 15.273 2.983 1.00 0.00 C ATOM 1184 CD GLU A 76 -9.588 14.830 3.869 1.00 0.00 C ATOM 1185 OE1 GLU A 76 -9.403 13.991 4.782 1.00 0.00 O ATOM 1186 OE2 GLU A 76 -10.689 15.418 3.760 1.00 0.00 O ATOM 0 H GLU A 76 -8.969 12.297 3.148 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.583 13.795 0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.200 13.568 3.461 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.543 14.586 2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.858 16.042 3.508 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.826 15.733 2.081 1.00 0.00 H new ATOM 1193 N GLY A 77 -6.072 13.138 0.096 1.00 0.00 N ATOM 1194 CA GLY A 77 -4.936 12.574 -0.593 1.00 0.00 C ATOM 1195 C GLY A 77 -3.661 13.286 -0.211 1.00 0.00 C ATOM 1196 O GLY A 77 -3.685 14.239 0.571 1.00 0.00 O ATOM 0 H GLY A 77 -6.170 14.145 -0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.850 11.514 -0.353 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.088 12.646 -1.670 1.00 0.00 H new ATOM 1200 N PHE A 78 -2.547 12.842 -0.791 1.00 0.00 N ATOM 1201 CA PHE A 78 -1.238 13.414 -0.512 1.00 0.00 C ATOM 1202 C PHE A 78 -0.384 13.532 -1.772 1.00 0.00 C ATOM 1203 O PHE A 78 -0.587 12.763 -2.713 1.00 0.00 O ATOM 1204 CB PHE A 78 -0.517 12.531 0.506 1.00 0.00 C ATOM 1205 CG PHE A 78 -1.032 12.676 1.920 1.00 0.00 C ATOM 1206 CD1 PHE A 78 -2.222 12.038 2.308 1.00 0.00 C ATOM 1207 CD2 PHE A 78 -0.334 13.474 2.845 1.00 0.00 C ATOM 1208 CE1 PHE A 78 -2.706 12.178 3.617 1.00 0.00 C ATOM 1209 CE2 PHE A 78 -0.813 13.608 4.156 1.00 0.00 C ATOM 1210 CZ PHE A 78 -2.003 12.968 4.543 1.00 0.00 C ATOM 0 H PHE A 78 -2.530 12.077 -1.466 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.386 14.419 -0.117 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.613 11.489 0.200 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.546 12.771 0.491 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.767 11.437 1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.570 13.983 2.545 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.617 11.680 3.913 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.266 14.205 4.871 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.376 13.083 5.550 1.00 0.00 H new ATOM 1220 N PRO A 79 0.631 14.420 -1.755 1.00 0.00 N ATOM 1221 CA PRO A 79 1.540 14.666 -2.873 1.00 0.00 C ATOM 1222 C PRO A 79 2.389 13.462 -3.298 1.00 0.00 C ATOM 1223 O PRO A 79 3.084 13.556 -4.316 1.00 0.00 O ATOM 1224 CB PRO A 79 2.437 15.826 -2.426 1.00 0.00 C ATOM 1225 CG PRO A 79 2.359 15.801 -0.907 1.00 0.00 C ATOM 1226 CD PRO A 79 0.927 15.353 -0.672 1.00 0.00 C ATOM 0 HA PRO A 79 0.950 14.890 -3.762 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.461 15.693 -2.774 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.086 16.777 -2.826 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.080 15.108 -0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.557 16.781 -0.472 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.820 14.873 0.301 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.243 16.201 -0.686 1.00 0.00 H new ATOM 1234 N SER A 80 2.419 12.374 -2.524 1.00 0.00 N ATOM 1235 CA SER A 80 3.175 11.182 -2.864 1.00 0.00 C ATOM 1236 C SER A 80 2.453 9.977 -2.271 1.00 0.00 C ATOM 1237 O SER A 80 1.704 10.122 -1.302 1.00 0.00 O ATOM 1238 CB SER A 80 4.610 11.285 -2.325 1.00 0.00 C ATOM 1239 OG SER A 80 5.545 10.893 -3.305 1.00 0.00 O ATOM 0 H SER A 80 1.914 12.302 -1.641 1.00 0.00 H new ATOM 0 HA SER A 80 3.242 11.073 -3.947 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.813 12.309 -2.012 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.717 10.655 -1.442 1.00 0.00 H new ATOM 0 HG SER A 80 6.452 10.968 -2.941 1.00 0.00 H new ATOM 1245 N ILE A 81 2.688 8.792 -2.836 1.00 0.00 N ATOM 1246 CA ILE A 81 2.081 7.561 -2.351 1.00 0.00 C ATOM 1247 C ILE A 81 2.501 7.292 -0.896 1.00 0.00 C ATOM 1248 O ILE A 81 1.599 7.066 -0.091 1.00 0.00 O ATOM 1249 CB ILE A 81 2.420 6.354 -3.257 1.00 0.00 C ATOM 1250 CG1 ILE A 81 1.946 6.517 -4.719 1.00 0.00 C ATOM 1251 CG2 ILE A 81 1.857 5.060 -2.635 1.00 0.00 C ATOM 1252 CD1 ILE A 81 0.446 6.315 -4.931 1.00 0.00 C ATOM 0 H ILE A 81 3.303 8.663 -3.640 1.00 0.00 H new ATOM 0 HA ILE A 81 0.999 7.691 -2.383 1.00 0.00 H new ATOM 0 HB ILE A 81 3.507 6.297 -3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.217 7.514 -5.065 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.486 5.805 -5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.098 4.213 -3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.299 4.907 -1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.775 5.144 -2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.206 6.449 -5.986 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.167 5.308 -4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.107 7.044 -4.338 1.00 0.00 H new ATOM 1264 N PRO A 82 3.799 7.323 -0.511 1.00 0.00 N ATOM 1265 CA PRO A 82 4.169 7.030 0.868 1.00 0.00 C ATOM 1266 C PRO A 82 3.535 8.001 1.861 1.00 0.00 C ATOM 1267 O PRO A 82 3.149 7.577 2.943 1.00 0.00 O ATOM 1268 CB PRO A 82 5.696 6.991 0.924 1.00 0.00 C ATOM 1269 CG PRO A 82 6.142 7.759 -0.315 1.00 0.00 C ATOM 1270 CD PRO A 82 4.996 7.581 -1.308 1.00 0.00 C ATOM 0 HA PRO A 82 3.775 6.062 1.177 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.072 7.455 1.836 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.068 5.966 0.911 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.312 8.812 -0.090 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.077 7.363 -0.712 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.870 8.474 -1.921 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.196 6.753 -1.988 1.00 0.00 H new ATOM 1278 N LEU A 83 3.363 9.274 1.488 1.00 0.00 N ATOM 1279 CA LEU A 83 2.750 10.277 2.357 1.00 0.00 C ATOM 1280 C LEU A 83 1.323 9.845 2.739 1.00 0.00 C ATOM 1281 O LEU A 83 0.909 10.079 3.874 1.00 0.00 O ATOM 1282 CB LEU A 83 2.758 11.658 1.669 1.00 0.00 C ATOM 1283 CG LEU A 83 3.968 12.574 1.926 1.00 0.00 C ATOM 1284 CD1 LEU A 83 4.050 13.018 3.390 1.00 0.00 C ATOM 1285 CD2 LEU A 83 5.296 11.960 1.476 1.00 0.00 C ATOM 0 H LEU A 83 3.645 9.635 0.577 1.00 0.00 H new ATOM 0 HA LEU A 83 3.332 10.360 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.680 11.498 0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.860 12.193 1.978 1.00 0.00 H new ATOM 0 HG LEU A 83 3.799 13.456 1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.918 13.663 3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.146 13.566 3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.144 12.142 4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.108 12.656 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.468 11.029 2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.259 11.757 0.406 1.00 0.00 H new ATOM 1297 N LEU A 84 0.576 9.248 1.796 1.00 0.00 N ATOM 1298 CA LEU A 84 -0.789 8.758 2.003 1.00 0.00 C ATOM 1299 C LEU A 84 -0.730 7.449 2.786 1.00 0.00 C ATOM 1300 O LEU A 84 -1.472 7.295 3.748 1.00 0.00 O ATOM 1301 CB LEU A 84 -1.507 8.587 0.640 1.00 0.00 C ATOM 1302 CG LEU A 84 -2.942 7.998 0.596 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -2.975 6.465 0.630 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -3.895 8.629 1.616 1.00 0.00 C ATOM 0 H LEU A 84 0.916 9.091 0.847 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.367 9.479 2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.543 9.568 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.876 7.954 0.016 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.326 8.282 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.009 6.123 0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.434 6.070 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.505 6.111 1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.879 8.169 1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.508 8.469 2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.977 9.699 1.424 1.00 0.00 H new ATOM 1316 N ILE A 85 0.142 6.510 2.405 1.00 0.00 N ATOM 1317 CA ILE A 85 0.265 5.223 3.090 1.00 0.00 C ATOM 1318 C ILE A 85 0.493 5.466 4.576 1.00 0.00 C ATOM 1319 O ILE A 85 -0.242 4.941 5.410 1.00 0.00 O ATOM 1320 CB ILE A 85 1.430 4.383 2.494 1.00 0.00 C ATOM 1321 CG1 ILE A 85 1.248 3.919 1.025 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.820 3.199 3.410 1.00 0.00 C ATOM 1323 CD1 ILE A 85 -0.148 4.049 0.398 1.00 0.00 C ATOM 0 H ILE A 85 0.779 6.622 1.616 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.657 4.659 2.949 1.00 0.00 H new ATOM 0 HB ILE A 85 2.259 5.090 2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.946 4.484 0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.545 2.872 0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.637 2.640 2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.138 3.579 4.381 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.960 2.542 3.541 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.121 3.686 -0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.861 3.458 0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.454 5.095 0.405 1.00 0.00 H new ATOM 1335 N ASP A 86 1.510 6.263 4.893 1.00 0.00 N ATOM 1336 CA ASP A 86 1.887 6.597 6.253 1.00 0.00 C ATOM 1337 C ASP A 86 0.700 7.184 7.014 1.00 0.00 C ATOM 1338 O ASP A 86 0.498 6.861 8.184 1.00 0.00 O ATOM 1339 CB ASP A 86 3.083 7.544 6.213 1.00 0.00 C ATOM 1340 CG ASP A 86 3.740 7.609 7.580 1.00 0.00 C ATOM 1341 OD1 ASP A 86 4.454 6.640 7.922 1.00 0.00 O ATOM 1342 OD2 ASP A 86 3.550 8.623 8.288 1.00 0.00 O ATOM 0 H ASP A 86 2.105 6.702 4.191 1.00 0.00 H new ATOM 0 HA ASP A 86 2.181 5.698 6.794 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.803 7.202 5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.759 8.539 5.908 1.00 0.00 H new ATOM 1347 N HIS A 87 -0.125 7.997 6.342 1.00 0.00 N ATOM 1348 CA HIS A 87 -1.299 8.593 6.955 1.00 0.00 C ATOM 1349 C HIS A 87 -2.295 7.496 7.356 1.00 0.00 C ATOM 1350 O HIS A 87 -2.794 7.507 8.483 1.00 0.00 O ATOM 1351 CB HIS A 87 -1.926 9.611 5.998 1.00 0.00 C ATOM 1352 CG HIS A 87 -3.175 10.226 6.547 1.00 0.00 C ATOM 1353 ND1 HIS A 87 -3.219 11.252 7.453 1.00 0.00 N ATOM 1354 CD2 HIS A 87 -4.460 9.855 6.254 1.00 0.00 C ATOM 1355 CE1 HIS A 87 -4.510 11.508 7.700 1.00 0.00 C ATOM 1356 NE2 HIS A 87 -5.309 10.689 6.990 1.00 0.00 N ATOM 0 H HIS A 87 0.009 8.254 5.364 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.011 9.124 7.862 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.202 10.397 5.785 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.153 9.122 5.051 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -2.418 11.732 7.863 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.762 9.066 5.581 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.863 12.270 8.379 1.00 0.00 H new ATOM 1364 N LEU A 88 -2.607 6.541 6.470 1.00 0.00 N ATOM 1365 CA LEU A 88 -3.548 5.452 6.776 1.00 0.00 C ATOM 1366 C LEU A 88 -3.007 4.611 7.917 1.00 0.00 C ATOM 1367 O LEU A 88 -3.738 4.228 8.832 1.00 0.00 O ATOM 1368 CB LEU A 88 -3.774 4.499 5.585 1.00 0.00 C ATOM 1369 CG LEU A 88 -4.885 4.946 4.629 1.00 0.00 C ATOM 1370 CD1 LEU A 88 -4.475 6.221 3.919 1.00 0.00 C ATOM 1371 CD2 LEU A 88 -5.155 3.861 3.580 1.00 0.00 C ATOM 0 H LEU A 88 -2.219 6.500 5.528 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.493 5.933 7.030 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.843 4.407 5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.016 3.507 5.968 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.789 5.121 5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.270 6.532 3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.297 7.006 4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.562 6.043 3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.947 4.193 2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.247 3.675 3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.464 2.942 4.078 1.00 0.00 H new ATOM 1383 N LEU A 89 -1.723 4.284 7.854 1.00 0.00 N ATOM 1384 CA LEU A 89 -1.059 3.471 8.857 1.00 0.00 C ATOM 1385 C LEU A 89 -1.097 4.146 10.227 1.00 0.00 C ATOM 1386 O LEU A 89 -1.368 3.457 11.211 1.00 0.00 O ATOM 1387 CB LEU A 89 0.353 3.125 8.365 1.00 0.00 C ATOM 1388 CG LEU A 89 0.454 1.774 7.630 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.231 0.579 8.563 1.00 0.00 C ATOM 1390 CD2 LEU A 89 -0.478 1.722 6.426 1.00 0.00 C ATOM 0 H LEU A 89 -1.109 4.580 7.095 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.590 2.529 8.996 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.697 3.915 7.698 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.030 3.112 9.219 1.00 0.00 H new ATOM 0 HG LEU A 89 1.477 1.696 7.263 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.313 -0.347 7.994 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.983 0.588 9.352 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.762 0.645 9.008 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.380 0.755 5.932 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.508 1.858 6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.214 2.515 5.727 1.00 0.00 H new ATOM 1402 N SER A 90 -0.912 5.459 10.312 1.00 0.00 N ATOM 1403 CA SER A 90 -0.959 6.171 11.581 1.00 0.00 C ATOM 1404 C SER A 90 -2.400 6.367 12.067 1.00 0.00 C ATOM 1405 O SER A 90 -2.698 6.110 13.229 1.00 0.00 O ATOM 1406 CB SER A 90 -0.252 7.515 11.412 1.00 0.00 C ATOM 1407 OG SER A 90 1.145 7.290 11.392 1.00 0.00 O ATOM 0 H SER A 90 -0.726 6.056 9.506 1.00 0.00 H new ATOM 0 HA SER A 90 -0.451 5.578 12.342 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.571 7.997 10.488 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.516 8.187 12.229 1.00 0.00 H new ATOM 0 HG SER A 90 1.612 8.144 11.282 1.00 0.00 H new ATOM 1413 N THR A 91 -3.327 6.781 11.204 1.00 0.00 N ATOM 1414 CA THR A 91 -4.717 7.014 11.601 1.00 0.00 C ATOM 1415 C THR A 91 -5.549 5.751 11.833 1.00 0.00 C ATOM 1416 O THR A 91 -6.472 5.797 12.643 1.00 0.00 O ATOM 1417 CB THR A 91 -5.430 7.848 10.530 1.00 0.00 C ATOM 1418 OG1 THR A 91 -5.326 7.218 9.271 1.00 0.00 O ATOM 1419 CG2 THR A 91 -4.872 9.263 10.415 1.00 0.00 C ATOM 0 H THR A 91 -3.139 6.963 10.218 1.00 0.00 H new ATOM 0 HA THR A 91 -4.647 7.530 12.559 1.00 0.00 H new ATOM 0 HB THR A 91 -6.473 7.920 10.840 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.488 7.486 8.840 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.415 9.806 9.642 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.987 9.778 11.369 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.815 9.217 10.152 1.00 0.00 H new ATOM 1427 N GLN A 92 -5.207 4.627 11.196 1.00 0.00 N ATOM 1428 CA GLN A 92 -5.939 3.359 11.280 1.00 0.00 C ATOM 1429 C GLN A 92 -7.381 3.530 10.752 1.00 0.00 C ATOM 1430 O GLN A 92 -8.281 2.761 11.103 1.00 0.00 O ATOM 1431 CB GLN A 92 -5.833 2.705 12.676 1.00 0.00 C ATOM 1432 CG GLN A 92 -4.421 2.197 13.010 1.00 0.00 C ATOM 1433 CD GLN A 92 -4.014 1.038 12.101 1.00 0.00 C ATOM 1434 OE1 GLN A 92 -4.589 -0.047 12.165 1.00 0.00 O ATOM 1435 NE2 GLN A 92 -3.034 1.253 11.234 1.00 0.00 N ATOM 0 H GLN A 92 -4.389 4.572 10.589 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.460 2.636 10.619 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.138 3.429 13.432 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.533 1.871 12.732 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.705 3.012 12.905 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.386 1.875 14.051 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.573 2.162 11.201 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.741 0.509 10.600 1.00 0.00 H new ATOM 1444 N GLN A 93 -7.614 4.550 9.912 1.00 0.00 N ATOM 1445 CA GLN A 93 -8.919 4.826 9.324 1.00 0.00 C ATOM 1446 C GLN A 93 -9.313 3.681 8.387 1.00 0.00 C ATOM 1447 O GLN A 93 -8.440 3.145 7.695 1.00 0.00 O ATOM 1448 CB GLN A 93 -8.900 6.161 8.553 1.00 0.00 C ATOM 1449 CG GLN A 93 -7.990 6.180 7.306 1.00 0.00 C ATOM 1450 CD GLN A 93 -7.801 7.587 6.739 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -8.215 7.898 5.627 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -7.127 8.445 7.480 1.00 0.00 N ATOM 0 H GLN A 93 -6.890 5.208 9.624 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.654 4.907 10.125 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.918 6.400 8.245 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.578 6.951 9.232 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.017 5.762 7.564 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -8.419 5.537 6.538 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.791 8.168 8.402 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -6.942 9.385 7.131 1.00 0.00 H new ATOM 1461 N PRO A 94 -10.596 3.304 8.306 1.00 0.00 N ATOM 1462 CA PRO A 94 -11.010 2.243 7.417 1.00 0.00 C ATOM 1463 C PRO A 94 -11.076 2.768 5.985 1.00 0.00 C ATOM 1464 O PRO A 94 -11.698 3.795 5.697 1.00 0.00 O ATOM 1465 CB PRO A 94 -12.366 1.783 7.934 1.00 0.00 C ATOM 1466 CG PRO A 94 -12.954 3.053 8.538 1.00 0.00 C ATOM 1467 CD PRO A 94 -11.732 3.821 9.052 1.00 0.00 C ATOM 0 HA PRO A 94 -10.312 1.406 7.399 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.991 1.391 7.132 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -12.267 0.992 8.677 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.504 3.630 7.795 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.651 2.826 9.345 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.849 4.893 8.893 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.598 3.670 10.123 1.00 0.00 H new ATOM 1475 N LEU A 95 -10.462 2.003 5.088 1.00 0.00 N ATOM 1476 CA LEU A 95 -10.358 2.219 3.652 1.00 0.00 C ATOM 1477 C LEU A 95 -11.730 2.544 3.050 1.00 0.00 C ATOM 1478 O LEU A 95 -11.817 3.424 2.196 1.00 0.00 O ATOM 1479 CB LEU A 95 -9.775 0.942 3.021 1.00 0.00 C ATOM 1480 CG LEU A 95 -8.242 0.876 2.927 1.00 0.00 C ATOM 1481 CD1 LEU A 95 -7.843 -0.597 2.832 1.00 0.00 C ATOM 1482 CD2 LEU A 95 -7.713 1.584 1.679 1.00 0.00 C ATOM 0 H LEU A 95 -9.986 1.147 5.372 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.706 3.069 3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.121 0.085 3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.186 0.837 2.017 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.823 1.367 3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.758 -0.676 2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.191 -1.126 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.296 -1.040 1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.626 1.512 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.129 1.112 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.007 2.633 1.704 1.00 0.00 H new ATOM 1494 N THR A 96 -12.776 1.798 3.416 1.00 0.00 N ATOM 1495 CA THR A 96 -14.153 1.983 2.958 1.00 0.00 C ATOM 1496 C THR A 96 -15.059 1.447 4.062 1.00 0.00 C ATOM 1497 O THR A 96 -14.647 0.552 4.807 1.00 0.00 O ATOM 1498 CB THR A 96 -14.472 1.220 1.650 1.00 0.00 C ATOM 1499 OG1 THR A 96 -14.407 -0.189 1.821 1.00 0.00 O ATOM 1500 CG2 THR A 96 -13.595 1.591 0.455 1.00 0.00 C ATOM 0 H THR A 96 -12.681 1.017 4.066 1.00 0.00 H new ATOM 0 HA THR A 96 -14.307 3.042 2.749 1.00 0.00 H new ATOM 0 HB THR A 96 -15.490 1.536 1.424 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.617 -0.632 0.972 1.00 0.00 H new ATOM 0 HG21 THR A 96 -13.895 1.004 -0.413 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.712 2.652 0.233 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.551 1.382 0.691 1.00 0.00 H new ATOM 1508 N LYS A 97 -16.293 1.934 4.162 1.00 0.00 N ATOM 1509 CA LYS A 97 -17.237 1.459 5.167 1.00 0.00 C ATOM 1510 C LYS A 97 -17.772 0.080 4.771 1.00 0.00 C ATOM 1511 O LYS A 97 -17.851 -0.808 5.613 1.00 0.00 O ATOM 1512 CB LYS A 97 -18.377 2.484 5.310 1.00 0.00 C ATOM 1513 CG LYS A 97 -19.504 2.063 6.270 1.00 0.00 C ATOM 1514 CD LYS A 97 -19.016 1.612 7.653 1.00 0.00 C ATOM 1515 CE LYS A 97 -18.292 2.716 8.434 1.00 0.00 C ATOM 1516 NZ LYS A 97 -19.240 3.548 9.200 1.00 0.00 N ATOM 0 H LYS A 97 -16.664 2.664 3.553 1.00 0.00 H new ATOM 0 HA LYS A 97 -16.738 1.357 6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -17.957 3.428 5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -18.807 2.669 4.326 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -20.191 2.900 6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -20.070 1.251 5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -19.869 1.265 8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -18.345 0.762 7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -17.568 2.267 9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -17.731 3.345 7.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.717 4.284 9.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -19.915 3.996 8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -19.757 2.951 9.877 1.00 0.00 H new ATOM 1530 N LYS A 98 -18.038 -0.138 3.480 1.00 0.00 N ATOM 1531 CA LYS A 98 -18.582 -1.382 2.937 1.00 0.00 C ATOM 1532 C LYS A 98 -17.775 -2.643 3.256 1.00 0.00 C ATOM 1533 O LYS A 98 -18.322 -3.745 3.199 1.00 0.00 O ATOM 1534 CB LYS A 98 -18.750 -1.181 1.422 1.00 0.00 C ATOM 1535 CG LYS A 98 -19.673 -2.178 0.713 1.00 0.00 C ATOM 1536 CD LYS A 98 -21.129 -2.062 1.176 1.00 0.00 C ATOM 1537 CE LYS A 98 -22.048 -3.035 0.434 1.00 0.00 C ATOM 1538 NZ LYS A 98 -22.171 -2.709 -0.997 1.00 0.00 N ATOM 0 H LYS A 98 -17.875 0.569 2.763 1.00 0.00 H new ATOM 0 HA LYS A 98 -19.537 -1.573 3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.132 -0.175 1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -17.766 -1.233 0.957 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -19.623 -2.012 -0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -19.317 -3.192 0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -21.185 -2.256 2.247 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -21.479 -1.042 1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -21.662 -4.049 0.541 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -23.036 -3.020 0.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -22.916 -3.296 -1.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -22.418 -1.704 -1.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -21.266 -2.896 -1.475 1.00 0.00 H new ATOM 1552 N SER A 99 -16.489 -2.504 3.575 1.00 0.00 N ATOM 1553 CA SER A 99 -15.621 -3.625 3.907 1.00 0.00 C ATOM 1554 C SER A 99 -14.954 -3.389 5.268 1.00 0.00 C ATOM 1555 O SER A 99 -14.755 -4.329 6.038 1.00 0.00 O ATOM 1556 CB SER A 99 -14.668 -3.845 2.727 1.00 0.00 C ATOM 1557 OG SER A 99 -13.948 -5.055 2.839 1.00 0.00 O ATOM 0 H SER A 99 -16.019 -1.599 3.610 1.00 0.00 H new ATOM 0 HA SER A 99 -16.171 -4.557 4.039 1.00 0.00 H new ATOM 0 HB2 SER A 99 -15.238 -3.848 1.798 1.00 0.00 H new ATOM 0 HB3 SER A 99 -13.968 -3.012 2.668 1.00 0.00 H new ATOM 0 HG SER A 99 -13.354 -5.155 2.066 1.00 0.00 H new ATOM 1563 N GLY A 100 -14.645 -2.138 5.619 1.00 0.00 N ATOM 1564 CA GLY A 100 -14.026 -1.800 6.890 1.00 0.00 C ATOM 1565 C GLY A 100 -12.545 -2.163 6.968 1.00 0.00 C ATOM 1566 O GLY A 100 -12.003 -2.146 8.068 1.00 0.00 O ATOM 0 H GLY A 100 -14.821 -1.331 5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.138 -0.730 7.065 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.559 -2.312 7.691 1.00 0.00 H new ATOM 1570 N VAL A 101 -11.889 -2.466 5.843 1.00 0.00 N ATOM 1571 CA VAL A 101 -10.477 -2.839 5.791 1.00 0.00 C ATOM 1572 C VAL A 101 -9.588 -1.739 6.371 1.00 0.00 C ATOM 1573 O VAL A 101 -9.818 -0.559 6.098 1.00 0.00 O ATOM 1574 CB VAL A 101 -10.064 -3.144 4.333 1.00 0.00 C ATOM 1575 CG1 VAL A 101 -8.653 -3.725 4.202 1.00 0.00 C ATOM 1576 CG2 VAL A 101 -11.024 -4.105 3.632 1.00 0.00 C ATOM 0 H VAL A 101 -12.336 -2.458 4.926 1.00 0.00 H new ATOM 0 HA VAL A 101 -10.342 -3.734 6.399 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.095 -2.166 3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.433 -3.913 3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.929 -3.016 4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.591 -4.660 4.759 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.682 -4.281 2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -11.052 -5.050 4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -12.023 -3.670 3.610 1.00 0.00 H new ATOM 1586 N VAL A 102 -8.553 -2.124 7.115 1.00 0.00 N ATOM 1587 CA VAL A 102 -7.576 -1.236 7.729 1.00 0.00 C ATOM 1588 C VAL A 102 -6.197 -1.845 7.430 1.00 0.00 C ATOM 1589 O VAL A 102 -6.074 -3.063 7.291 1.00 0.00 O ATOM 1590 CB VAL A 102 -7.832 -1.090 9.250 1.00 0.00 C ATOM 1591 CG1 VAL A 102 -6.940 0.009 9.841 1.00 0.00 C ATOM 1592 CG2 VAL A 102 -9.283 -0.732 9.606 1.00 0.00 C ATOM 0 H VAL A 102 -8.367 -3.107 7.313 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.644 -0.226 7.324 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.605 -2.071 9.668 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.133 0.098 10.910 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.893 -0.247 9.681 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -7.160 0.958 9.352 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.382 -0.648 10.688 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.548 0.218 9.142 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.950 -1.512 9.241 1.00 0.00 H new ATOM 1602 N LEU A 103 -5.158 -1.023 7.286 1.00 0.00 N ATOM 1603 CA LEU A 103 -3.793 -1.473 7.027 1.00 0.00 C ATOM 1604 C LEU A 103 -3.125 -1.551 8.387 1.00 0.00 C ATOM 1605 O LEU A 103 -2.959 -0.520 9.045 1.00 0.00 O ATOM 1606 CB LEU A 103 -3.020 -0.484 6.148 1.00 0.00 C ATOM 1607 CG LEU A 103 -3.298 -0.617 4.644 1.00 0.00 C ATOM 1608 CD1 LEU A 103 -4.733 -0.282 4.250 1.00 0.00 C ATOM 1609 CD2 LEU A 103 -2.384 0.341 3.886 1.00 0.00 C ATOM 0 H LEU A 103 -5.244 -0.008 7.347 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.804 -2.426 6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.266 0.530 6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.953 -0.621 6.321 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.118 -1.662 4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.851 -0.399 3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.418 -0.955 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.956 0.748 4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.573 0.255 2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.581 1.363 4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.343 0.090 4.092 1.00 0.00 H new ATOM 1621 N HIS A 104 -2.791 -2.759 8.828 1.00 0.00 N ATOM 1622 CA HIS A 104 -2.143 -2.977 10.111 1.00 0.00 C ATOM 1623 C HIS A 104 -0.625 -2.847 9.958 1.00 0.00 C ATOM 1624 O HIS A 104 -0.002 -2.173 10.783 1.00 0.00 O ATOM 1625 CB HIS A 104 -2.522 -4.346 10.694 1.00 0.00 C ATOM 1626 CG HIS A 104 -3.949 -4.468 11.191 1.00 0.00 C ATOM 1627 ND1 HIS A 104 -4.325 -4.921 12.435 1.00 0.00 N ATOM 1628 CD2 HIS A 104 -5.098 -4.242 10.481 1.00 0.00 C ATOM 1629 CE1 HIS A 104 -5.667 -4.970 12.466 1.00 0.00 C ATOM 1630 NE2 HIS A 104 -6.184 -4.572 11.294 1.00 0.00 N ATOM 0 H HIS A 104 -2.964 -3.616 8.302 1.00 0.00 H new ATOM 0 HA HIS A 104 -2.489 -2.216 10.810 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.355 -5.106 9.931 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.847 -4.570 11.520 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -5.154 -3.873 9.468 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.250 -5.287 13.318 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -7.172 -4.521 11.046 1.00 0.00 H new ATOM 1638 N ARG A 105 -0.009 -3.467 8.935 1.00 0.00 N ATOM 1639 CA ARG A 105 1.444 -3.410 8.719 1.00 0.00 C ATOM 1640 C ARG A 105 1.814 -3.868 7.305 1.00 0.00 C ATOM 1641 O ARG A 105 1.084 -4.629 6.677 1.00 0.00 O ATOM 1642 CB ARG A 105 2.124 -4.335 9.749 1.00 0.00 C ATOM 1643 CG ARG A 105 3.660 -4.361 9.751 1.00 0.00 C ATOM 1644 CD ARG A 105 4.334 -3.008 10.043 1.00 0.00 C ATOM 1645 NE ARG A 105 5.798 -3.073 9.908 1.00 0.00 N ATOM 1646 CZ ARG A 105 6.653 -3.807 10.630 1.00 0.00 C ATOM 1647 NH1 ARG A 105 6.244 -4.542 11.659 1.00 0.00 N ATOM 1648 NH2 ARG A 105 7.936 -3.794 10.296 1.00 0.00 N ATOM 0 H ARG A 105 -0.506 -4.020 8.237 1.00 0.00 H new ATOM 0 HA ARG A 105 1.780 -2.380 8.838 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.788 -4.041 10.743 1.00 0.00 H new ATOM 0 HB3 ARG A 105 1.768 -5.351 9.580 1.00 0.00 H new ATOM 0 HG2 ARG A 105 3.995 -5.084 10.494 1.00 0.00 H new ATOM 0 HG3 ARG A 105 4.003 -4.719 8.780 1.00 0.00 H new ATOM 0 HD2 ARG A 105 3.941 -2.254 9.360 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.078 -2.688 11.053 1.00 0.00 H new ATOM 0 HE ARG A 105 6.209 -2.490 9.179 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.257 -4.556 11.915 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.917 -5.092 12.192 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.251 -3.233 9.505 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.608 -4.345 10.830 1.00 0.00 H new ATOM 1662 N ALA A 106 2.956 -3.398 6.806 1.00 0.00 N ATOM 1663 CA ALA A 106 3.478 -3.729 5.487 1.00 0.00 C ATOM 1664 C ALA A 106 4.116 -5.122 5.475 1.00 0.00 C ATOM 1665 O ALA A 106 4.446 -5.667 6.535 1.00 0.00 O ATOM 1666 CB ALA A 106 4.578 -2.713 5.158 1.00 0.00 C ATOM 0 H ALA A 106 3.558 -2.759 7.325 1.00 0.00 H new ATOM 0 HA ALA A 106 2.660 -3.709 4.767 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.993 -2.932 4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 106 4.157 -1.708 5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.368 -2.777 5.907 1.00 0.00 H new ATOM 1672 N VAL A 107 4.323 -5.699 4.290 1.00 0.00 N ATOM 1673 CA VAL A 107 4.977 -6.986 4.134 1.00 0.00 C ATOM 1674 C VAL A 107 6.334 -6.569 3.559 1.00 0.00 C ATOM 1675 O VAL A 107 6.359 -5.964 2.487 1.00 0.00 O ATOM 1676 CB VAL A 107 4.118 -7.902 3.253 1.00 0.00 C ATOM 1677 CG1 VAL A 107 4.885 -9.093 2.690 1.00 0.00 C ATOM 1678 CG2 VAL A 107 2.947 -8.430 4.100 1.00 0.00 C ATOM 0 H VAL A 107 4.036 -5.277 3.407 1.00 0.00 H new ATOM 0 HA VAL A 107 5.110 -7.586 5.034 1.00 0.00 H new ATOM 0 HB VAL A 107 3.778 -7.309 2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.218 -9.699 2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.715 -8.736 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.272 -9.697 3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.323 -9.084 3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.336 -8.989 4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.351 -7.591 4.459 1.00 0.00 H new ATOM 1688 N PRO A 108 7.447 -6.754 4.291 1.00 0.00 N ATOM 1689 CA PRO A 108 8.762 -6.362 3.824 1.00 0.00 C ATOM 1690 C PRO A 108 9.307 -7.340 2.783 1.00 0.00 C ATOM 1691 O PRO A 108 9.383 -8.543 3.037 1.00 0.00 O ATOM 1692 CB PRO A 108 9.634 -6.373 5.077 1.00 0.00 C ATOM 1693 CG PRO A 108 9.030 -7.485 5.937 1.00 0.00 C ATOM 1694 CD PRO A 108 7.545 -7.433 5.576 1.00 0.00 C ATOM 0 HA PRO A 108 8.740 -5.389 3.334 1.00 0.00 H new ATOM 0 HB2 PRO A 108 10.677 -6.577 4.836 1.00 0.00 H new ATOM 0 HB3 PRO A 108 9.607 -5.412 5.591 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.467 -8.456 5.706 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.193 -7.307 7.000 1.00 0.00 H new ATOM 0 HD2 PRO A 108 7.127 -8.438 5.515 1.00 0.00 H new ATOM 0 HD3 PRO A 108 6.980 -6.898 6.340 1.00 0.00 H new ATOM 1702 N SER A 109 9.745 -6.827 1.642 1.00 0.00 N ATOM 1703 CA SER A 109 10.314 -7.637 0.569 1.00 0.00 C ATOM 1704 C SER A 109 11.666 -8.232 0.993 1.00 0.00 C ATOM 1705 O SER A 109 11.999 -9.378 0.674 1.00 0.00 O ATOM 1706 CB SER A 109 10.473 -6.732 -0.652 1.00 0.00 C ATOM 1707 OG SER A 109 11.175 -5.550 -0.303 1.00 0.00 O ATOM 0 H SER A 109 9.716 -5.829 1.431 1.00 0.00 H new ATOM 0 HA SER A 109 9.658 -8.476 0.335 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.010 -7.263 -1.438 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.492 -6.475 -1.053 1.00 0.00 H new ATOM 0 HG SER A 109 11.271 -4.981 -1.095 1.00 0.00 H new