USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 773 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 76 GLN : amide:sc= -0.567 K(o=-2,f=-5.4!) USER MOD Set 1.2: A 100 MET CE :methyl 150:sc= -1.43 (180deg=-2.89!) USER MOD Set 2.1: A 95 ASN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Set 2.2: A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0738 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= 0.738 K(o=0.74,f=-4!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.597 K(o=-0.6,f=-2.7!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.0027) USER MOD Single : A 45 SER OG : rot 31:sc= 0.0443 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.945 K(o=0.95,f=-0.071) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.055 USER MOD Single : A 54 SER OG : rot 160:sc= -0.732 USER MOD Single : A 55 HIS : no HD1:sc= -0.532 X(o=-0.53,f=-0.035) USER MOD Single : A 61 LYS NZ :NH3+ 157:sc= 1.17 (180deg=0.933) USER MOD Single : A 65 THR OG1 : rot -13:sc= 0.824 USER MOD Single : A 66 SER OG : rot 77:sc= 1.33 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.24) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 77 GLN : amide:sc= 0.828 K(o=0.83,f=-0.52) USER MOD Single : A 80 THR OG1 : rot -77:sc= 1.39 USER MOD Single : A 83 MET CE :methyl -179:sc= -2.23 (180deg=-2.24) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.0163 F(o=-1,f=-0.016) USER MOD Single : A 89 ASN : amide:sc= 0.0278 X(o=0.028,f=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N TYR A 7 -14.748 2.954 -1.964 1.00 4.21 N ATOM 78 CA TYR A 7 -13.662 2.861 -2.930 1.00 21.41 C ATOM 79 C TYR A 7 -12.353 3.157 -2.219 1.00 51.42 C ATOM 80 O TYR A 7 -11.360 3.549 -2.824 1.00 44.33 O ATOM 81 CB TYR A 7 -13.883 3.801 -4.125 1.00 53.33 C ATOM 82 CG TYR A 7 -14.037 5.271 -3.786 1.00 11.54 C ATOM 83 CD1 TYR A 7 -15.257 5.786 -3.364 1.00 75.12 C ATOM 84 CD2 TYR A 7 -12.968 6.150 -3.920 1.00 55.30 C ATOM 85 CE1 TYR A 7 -15.405 7.132 -3.083 1.00 25.42 C ATOM 86 CE2 TYR A 7 -13.112 7.497 -3.648 1.00 1.05 C ATOM 87 CZ TYR A 7 -14.331 7.983 -3.229 1.00 4.51 C ATOM 88 OH TYR A 7 -14.477 9.329 -2.968 1.00 30.33 O ATOM 0 HA TYR A 7 -13.630 1.852 -3.340 1.00 21.41 H new ATOM 0 HB2 TYR A 7 -13.042 3.691 -4.810 1.00 53.33 H new ATOM 0 HB3 TYR A 7 -14.775 3.475 -4.660 1.00 53.33 H new ATOM 0 HD1 TYR A 7 -16.103 5.124 -3.254 1.00 75.12 H new ATOM 0 HD2 TYR A 7 -12.008 5.773 -4.242 1.00 55.30 H new ATOM 0 HE1 TYR A 7 -16.359 7.515 -2.750 1.00 25.42 H new ATOM 0 HE2 TYR A 7 -12.272 8.166 -3.763 1.00 1.05 H new ATOM 0 HH TYR A 7 -13.623 9.786 -3.119 1.00 30.33 H new ATOM 98 N THR A 8 -12.390 2.937 -0.913 1.00 55.53 N ATOM 99 CA THR A 8 -11.254 3.137 -0.033 1.00 3.51 C ATOM 100 C THR A 8 -10.097 2.204 -0.404 1.00 31.14 C ATOM 101 O THR A 8 -10.294 1.200 -1.093 1.00 42.14 O ATOM 102 CB THR A 8 -11.692 2.859 1.415 1.00 31.30 C ATOM 103 OG1 THR A 8 -13.086 3.172 1.549 1.00 41.04 O ATOM 104 CG2 THR A 8 -10.889 3.686 2.409 1.00 62.24 C ATOM 0 H THR A 8 -13.226 2.609 -0.429 1.00 55.53 H new ATOM 0 HA THR A 8 -10.908 4.165 -0.136 1.00 3.51 H new ATOM 0 HB THR A 8 -11.514 1.806 1.633 1.00 31.30 H new ATOM 0 HG1 THR A 8 -13.374 2.996 2.469 1.00 41.04 H new ATOM 0 HG21 THR A 8 -11.225 3.464 3.422 1.00 62.24 H new ATOM 0 HG22 THR A 8 -9.831 3.441 2.316 1.00 62.24 H new ATOM 0 HG23 THR A 8 -11.035 4.746 2.202 1.00 62.24 H new ATOM 112 N PHE A 9 -8.902 2.541 0.069 1.00 45.23 N ATOM 113 CA PHE A 9 -7.693 1.777 -0.226 1.00 71.05 C ATOM 114 C PHE A 9 -7.883 0.275 0.009 1.00 61.42 C ATOM 115 O PHE A 9 -7.567 -0.537 -0.862 1.00 63.22 O ATOM 116 CB PHE A 9 -6.538 2.299 0.633 1.00 75.44 C ATOM 117 CG PHE A 9 -5.185 1.783 0.226 1.00 52.21 C ATOM 118 CD1 PHE A 9 -4.426 2.467 -0.710 1.00 43.03 C ATOM 119 CD2 PHE A 9 -4.670 0.624 0.783 1.00 42.30 C ATOM 120 CE1 PHE A 9 -3.181 2.005 -1.084 1.00 60.44 C ATOM 121 CE2 PHE A 9 -3.424 0.156 0.412 1.00 53.31 C ATOM 122 CZ PHE A 9 -2.679 0.849 -0.523 1.00 40.42 C ATOM 0 H PHE A 9 -8.743 3.351 0.668 1.00 45.23 H new ATOM 0 HA PHE A 9 -7.465 1.911 -1.283 1.00 71.05 H new ATOM 0 HB2 PHE A 9 -6.528 3.388 0.586 1.00 75.44 H new ATOM 0 HB3 PHE A 9 -6.721 2.026 1.672 1.00 75.44 H new ATOM 0 HD1 PHE A 9 -4.814 3.373 -1.152 1.00 43.03 H new ATOM 0 HD2 PHE A 9 -5.249 0.080 1.515 1.00 42.30 H new ATOM 0 HE1 PHE A 9 -2.600 2.548 -1.815 1.00 60.44 H new ATOM 0 HE2 PHE A 9 -3.033 -0.750 0.852 1.00 53.31 H new ATOM 0 HZ PHE A 9 -1.704 0.486 -0.814 1.00 40.42 H new ATOM 132 N GLU A 10 -8.421 -0.091 1.170 1.00 72.51 N ATOM 133 CA GLU A 10 -8.515 -1.500 1.552 1.00 50.40 C ATOM 134 C GLU A 10 -9.533 -2.245 0.686 1.00 12.31 C ATOM 135 O GLU A 10 -9.303 -3.386 0.313 1.00 30.21 O ATOM 136 CB GLU A 10 -8.881 -1.642 3.037 1.00 14.11 C ATOM 137 CG GLU A 10 -8.265 -2.863 3.730 1.00 15.44 C ATOM 138 CD GLU A 10 -8.811 -4.201 3.245 1.00 21.33 C ATOM 139 OE1 GLU A 10 -9.944 -4.556 3.630 1.00 4.42 O ATOM 140 OE2 GLU A 10 -8.094 -4.919 2.506 1.00 3.32 O ATOM 0 H GLU A 10 -8.796 0.562 1.858 1.00 72.51 H new ATOM 0 HA GLU A 10 -7.535 -1.948 1.389 1.00 50.40 H new ATOM 0 HB2 GLU A 10 -8.563 -0.742 3.564 1.00 14.11 H new ATOM 0 HB3 GLU A 10 -9.966 -1.698 3.127 1.00 14.11 H new ATOM 0 HG2 GLU A 10 -7.186 -2.847 3.577 1.00 15.44 H new ATOM 0 HG3 GLU A 10 -8.436 -2.782 4.803 1.00 15.44 H new ATOM 147 N THR A 11 -10.643 -1.603 0.337 1.00 63.30 N ATOM 148 CA THR A 11 -11.695 -2.294 -0.402 1.00 63.44 C ATOM 149 C THR A 11 -11.259 -2.595 -1.839 1.00 71.44 C ATOM 150 O THR A 11 -11.688 -3.585 -2.433 1.00 14.41 O ATOM 151 CB THR A 11 -13.034 -1.518 -0.397 1.00 55.31 C ATOM 152 OG1 THR A 11 -14.084 -2.352 -0.903 1.00 4.35 O ATOM 153 CG2 THR A 11 -12.958 -0.251 -1.233 1.00 71.31 C ATOM 0 H THR A 11 -10.837 -0.624 0.549 1.00 63.30 H new ATOM 0 HA THR A 11 -11.865 -3.237 0.117 1.00 63.44 H new ATOM 0 HB THR A 11 -13.242 -1.234 0.635 1.00 55.31 H new ATOM 0 HG1 THR A 11 -14.929 -1.855 -0.896 1.00 4.35 H new ATOM 0 HG21 THR A 11 -13.919 0.263 -1.202 1.00 71.31 H new ATOM 0 HG22 THR A 11 -12.183 0.403 -0.833 1.00 71.31 H new ATOM 0 HG23 THR A 11 -12.718 -0.509 -2.264 1.00 71.31 H new ATOM 161 N ILE A 12 -10.415 -1.741 -2.407 1.00 74.11 N ATOM 162 CA ILE A 12 -9.841 -2.017 -3.717 1.00 42.32 C ATOM 163 C ILE A 12 -8.743 -3.065 -3.582 1.00 30.34 C ATOM 164 O ILE A 12 -8.610 -3.957 -4.419 1.00 34.52 O ATOM 165 CB ILE A 12 -9.288 -0.741 -4.391 1.00 53.43 C ATOM 166 CG1 ILE A 12 -10.416 0.284 -4.572 1.00 25.13 C ATOM 167 CG2 ILE A 12 -8.649 -1.078 -5.735 1.00 74.10 C ATOM 168 CD1 ILE A 12 -9.978 1.570 -5.239 1.00 70.53 C ATOM 0 H ILE A 12 -10.116 -0.861 -1.986 1.00 74.11 H new ATOM 0 HA ILE A 12 -10.636 -2.397 -4.358 1.00 42.32 H new ATOM 0 HB ILE A 12 -8.520 -0.309 -3.750 1.00 53.43 H new ATOM 0 HG12 ILE A 12 -11.212 -0.168 -5.164 1.00 25.13 H new ATOM 0 HG13 ILE A 12 -10.840 0.519 -3.596 1.00 25.13 H new ATOM 0 HG21 ILE A 12 -8.266 -0.167 -6.194 1.00 74.10 H new ATOM 0 HG22 ILE A 12 -7.829 -1.780 -5.582 1.00 74.10 H new ATOM 0 HG23 ILE A 12 -9.395 -1.528 -6.390 1.00 74.10 H new ATOM 0 HD11 ILE A 12 -10.832 2.242 -5.330 1.00 70.53 H new ATOM 0 HD12 ILE A 12 -9.204 2.047 -4.637 1.00 70.53 H new ATOM 0 HD13 ILE A 12 -9.582 1.349 -6.230 1.00 70.53 H new ATOM 180 N ALA A 13 -7.978 -2.969 -2.500 1.00 20.13 N ATOM 181 CA ALA A 13 -6.965 -3.967 -2.195 1.00 74.12 C ATOM 182 C ALA A 13 -7.616 -5.319 -1.933 1.00 25.24 C ATOM 183 O ALA A 13 -7.029 -6.360 -2.194 1.00 34.53 O ATOM 184 CB ALA A 13 -6.136 -3.534 -0.995 1.00 12.15 C ATOM 0 H ALA A 13 -8.042 -2.210 -1.821 1.00 20.13 H new ATOM 0 HA ALA A 13 -6.302 -4.062 -3.055 1.00 74.12 H new ATOM 0 HB1 ALA A 13 -5.383 -4.292 -0.780 1.00 12.15 H new ATOM 0 HB2 ALA A 13 -5.645 -2.586 -1.215 1.00 12.15 H new ATOM 0 HB3 ALA A 13 -6.786 -3.413 -0.128 1.00 12.15 H new ATOM 190 N ARG A 14 -8.846 -5.279 -1.427 1.00 11.13 N ATOM 191 CA ARG A 14 -9.629 -6.475 -1.122 1.00 51.43 C ATOM 192 C ARG A 14 -9.723 -7.418 -2.312 1.00 45.42 C ATOM 193 O ARG A 14 -9.772 -8.637 -2.137 1.00 62.34 O ATOM 194 CB ARG A 14 -11.041 -6.081 -0.688 1.00 74.20 C ATOM 195 CG ARG A 14 -11.331 -6.323 0.781 1.00 50.43 C ATOM 196 CD ARG A 14 -11.125 -7.780 1.152 1.00 44.13 C ATOM 197 NE ARG A 14 -11.595 -8.075 2.501 1.00 0.12 N ATOM 198 CZ ARG A 14 -10.832 -7.998 3.585 1.00 40.22 C ATOM 199 NH1 ARG A 14 -9.611 -7.481 3.508 1.00 11.22 N ATOM 200 NH2 ARG A 14 -11.314 -8.383 4.757 1.00 65.00 N ATOM 0 H ARG A 14 -9.332 -4.408 -1.215 1.00 11.13 H new ATOM 0 HA ARG A 14 -9.115 -6.996 -0.314 1.00 51.43 H new ATOM 0 HB2 ARG A 14 -11.195 -5.025 -0.908 1.00 74.20 H new ATOM 0 HB3 ARG A 14 -11.762 -6.639 -1.286 1.00 74.20 H new ATOM 0 HG2 ARG A 14 -10.681 -5.695 1.390 1.00 50.43 H new ATOM 0 HG3 ARG A 14 -12.357 -6.030 1.004 1.00 50.43 H new ATOM 0 HD2 ARG A 14 -11.652 -8.413 0.438 1.00 44.13 H new ATOM 0 HD3 ARG A 14 -10.066 -8.027 1.076 1.00 44.13 H new ATOM 0 HE ARG A 14 -12.568 -8.357 2.619 1.00 0.12 H new ATOM 0 HH11 ARG A 14 -9.256 -7.141 2.614 1.00 11.22 H new ATOM 0 HH12 ARG A 14 -9.028 -7.424 4.343 1.00 11.22 H new ATOM 0 HH21 ARG A 14 -12.268 -8.737 4.825 1.00 65.00 H new ATOM 0 HH22 ARG A 14 -10.731 -8.325 5.592 1.00 65.00 H new ATOM 214 N GLU A 15 -9.733 -6.849 -3.511 1.00 42.35 N ATOM 215 CA GLU A 15 -9.890 -7.626 -4.729 1.00 4.02 C ATOM 216 C GLU A 15 -8.800 -8.690 -4.830 1.00 75.11 C ATOM 217 O GLU A 15 -9.092 -9.872 -4.967 1.00 71.32 O ATOM 218 CB GLU A 15 -9.878 -6.696 -5.946 1.00 50.45 C ATOM 219 CG GLU A 15 -10.299 -7.374 -7.239 1.00 21.23 C ATOM 220 CD GLU A 15 -9.152 -7.657 -8.190 1.00 70.44 C ATOM 221 OE1 GLU A 15 -8.322 -8.543 -7.899 1.00 41.01 O ATOM 222 OE2 GLU A 15 -9.103 -7.016 -9.260 1.00 10.44 O ATOM 0 H GLU A 15 -9.633 -5.845 -3.664 1.00 42.35 H new ATOM 0 HA GLU A 15 -10.850 -8.141 -4.703 1.00 4.02 H new ATOM 0 HB2 GLU A 15 -10.543 -5.854 -5.755 1.00 50.45 H new ATOM 0 HB3 GLU A 15 -8.875 -6.288 -6.070 1.00 50.45 H new ATOM 0 HG2 GLU A 15 -10.798 -8.313 -6.999 1.00 21.23 H new ATOM 0 HG3 GLU A 15 -11.030 -6.744 -7.746 1.00 21.23 H new ATOM 229 N TRP A 16 -7.548 -8.268 -4.758 1.00 2.44 N ATOM 230 CA TRP A 16 -6.431 -9.212 -4.738 1.00 13.21 C ATOM 231 C TRP A 16 -6.226 -9.793 -3.330 1.00 42.45 C ATOM 232 O TRP A 16 -5.816 -10.944 -3.183 1.00 45.14 O ATOM 233 CB TRP A 16 -5.142 -8.551 -5.252 1.00 50.12 C ATOM 234 CG TRP A 16 -4.748 -7.325 -4.494 1.00 51.22 C ATOM 235 CD1 TRP A 16 -5.080 -6.037 -4.794 1.00 64.12 C ATOM 236 CD2 TRP A 16 -3.948 -7.272 -3.309 1.00 30.20 C ATOM 237 NE1 TRP A 16 -4.540 -5.187 -3.862 1.00 63.12 N ATOM 238 CE2 TRP A 16 -3.844 -5.922 -2.939 1.00 0.31 C ATOM 239 CE3 TRP A 16 -3.316 -8.239 -2.524 1.00 33.25 C ATOM 240 CZ2 TRP A 16 -3.133 -5.515 -1.815 1.00 4.41 C ATOM 241 CZ3 TRP A 16 -2.613 -7.834 -1.410 1.00 14.44 C ATOM 242 CH2 TRP A 16 -2.528 -6.482 -1.065 1.00 72.22 C ATOM 0 H TRP A 16 -7.276 -7.286 -4.713 1.00 2.44 H new ATOM 0 HA TRP A 16 -6.677 -10.035 -5.409 1.00 13.21 H new ATOM 0 HB2 TRP A 16 -4.329 -9.275 -5.201 1.00 50.12 H new ATOM 0 HB3 TRP A 16 -5.272 -8.291 -6.302 1.00 50.12 H new ATOM 0 HD1 TRP A 16 -5.679 -5.731 -5.639 1.00 64.12 H new ATOM 0 HE1 TRP A 16 -4.641 -4.172 -3.857 1.00 63.12 H new ATOM 0 HE3 TRP A 16 -3.377 -9.285 -2.785 1.00 33.25 H new ATOM 0 HZ2 TRP A 16 -3.062 -4.472 -1.545 1.00 4.41 H new ATOM 0 HZ3 TRP A 16 -2.120 -8.572 -0.794 1.00 14.44 H new ATOM 0 HH2 TRP A 16 -1.971 -6.196 -0.185 1.00 72.22 H new ATOM 253 N HIS A 17 -6.516 -8.984 -2.301 1.00 34.02 N ATOM 254 CA HIS A 17 -6.372 -9.390 -0.893 1.00 51.53 C ATOM 255 C HIS A 17 -7.058 -10.722 -0.585 1.00 42.44 C ATOM 256 O HIS A 17 -6.644 -11.431 0.331 1.00 13.22 O ATOM 257 CB HIS A 17 -6.947 -8.314 0.037 1.00 41.41 C ATOM 258 CG HIS A 17 -5.955 -7.757 1.012 1.00 24.35 C ATOM 259 ND1 HIS A 17 -6.150 -6.575 1.701 1.00 10.15 N ATOM 260 CD2 HIS A 17 -4.751 -8.229 1.415 1.00 14.20 C ATOM 261 CE1 HIS A 17 -5.108 -6.349 2.480 1.00 23.34 C ATOM 262 NE2 HIS A 17 -4.248 -7.336 2.327 1.00 1.21 N ATOM 0 H HIS A 17 -6.857 -8.030 -2.420 1.00 34.02 H new ATOM 0 HA HIS A 17 -5.303 -9.513 -0.720 1.00 51.53 H new ATOM 0 HB2 HIS A 17 -7.343 -7.499 -0.569 1.00 41.41 H new ATOM 0 HB3 HIS A 17 -7.786 -8.737 0.590 1.00 41.41 H new ATOM 0 HD1 HIS A 17 -6.969 -5.973 1.621 1.00 10.15 H new ATOM 0 HD2 HIS A 17 -4.275 -9.139 1.081 1.00 14.20 H new ATOM 0 HE1 HIS A 17 -4.982 -5.498 3.133 1.00 23.34 H new ATOM 271 N GLU A 18 -8.111 -11.049 -1.327 1.00 74.54 N ATOM 272 CA GLU A 18 -8.846 -12.293 -1.108 1.00 34.43 C ATOM 273 C GLU A 18 -7.982 -13.517 -1.420 1.00 41.23 C ATOM 274 O GLU A 18 -8.271 -14.622 -0.956 1.00 71.31 O ATOM 275 CB GLU A 18 -10.110 -12.328 -1.964 1.00 54.52 C ATOM 276 CG GLU A 18 -9.826 -12.288 -3.452 1.00 12.11 C ATOM 277 CD GLU A 18 -11.058 -12.528 -4.290 1.00 3.32 C ATOM 278 OE1 GLU A 18 -11.824 -11.575 -4.528 1.00 51.13 O ATOM 279 OE2 GLU A 18 -11.265 -13.681 -4.721 1.00 53.10 O ATOM 0 H GLU A 18 -8.475 -10.472 -2.085 1.00 74.54 H new ATOM 0 HA GLU A 18 -9.122 -12.326 -0.054 1.00 34.43 H new ATOM 0 HB2 GLU A 18 -10.673 -13.232 -1.732 1.00 54.52 H new ATOM 0 HB3 GLU A 18 -10.744 -11.482 -1.699 1.00 54.52 H new ATOM 0 HG2 GLU A 18 -9.400 -11.318 -3.710 1.00 12.11 H new ATOM 0 HG3 GLU A 18 -9.075 -13.040 -3.694 1.00 12.11 H new ATOM 286 N SER A 19 -6.931 -13.317 -2.208 1.00 0.01 N ATOM 287 CA SER A 19 -6.026 -14.398 -2.568 1.00 11.00 C ATOM 288 C SER A 19 -5.058 -14.675 -1.421 1.00 41.42 C ATOM 289 O SER A 19 -4.476 -15.757 -1.328 1.00 63.13 O ATOM 290 CB SER A 19 -5.260 -14.040 -3.848 1.00 11.43 C ATOM 291 OG SER A 19 -4.466 -15.125 -4.309 1.00 14.31 O ATOM 0 H SER A 19 -6.686 -12.412 -2.610 1.00 0.01 H new ATOM 0 HA SER A 19 -6.607 -15.301 -2.755 1.00 11.00 H new ATOM 0 HB2 SER A 19 -5.967 -13.751 -4.626 1.00 11.43 H new ATOM 0 HB3 SER A 19 -4.622 -13.177 -3.660 1.00 11.43 H new ATOM 0 HG SER A 19 -3.994 -14.861 -5.126 1.00 14.31 H new ATOM 297 N ASN A 20 -4.901 -13.692 -0.543 1.00 31.13 N ATOM 298 CA ASN A 20 -4.039 -13.834 0.623 1.00 2.54 C ATOM 299 C ASN A 20 -4.759 -14.629 1.699 1.00 13.14 C ATOM 300 O ASN A 20 -5.921 -14.998 1.531 1.00 42.30 O ATOM 301 CB ASN A 20 -3.636 -12.465 1.181 1.00 61.31 C ATOM 302 CG ASN A 20 -2.847 -11.633 0.192 1.00 21.24 C ATOM 303 OD1 ASN A 20 -3.412 -10.832 -0.549 1.00 61.35 O ATOM 304 ND2 ASN A 20 -1.534 -11.810 0.178 1.00 73.41 N ATOM 0 H ASN A 20 -5.361 -12.785 -0.617 1.00 31.13 H new ATOM 0 HA ASN A 20 -3.135 -14.361 0.317 1.00 2.54 H new ATOM 0 HB2 ASN A 20 -4.533 -11.919 1.473 1.00 61.31 H new ATOM 0 HB3 ASN A 20 -3.042 -12.607 2.084 1.00 61.31 H new ATOM 0 HD21 ASN A 20 -0.954 -11.271 -0.464 1.00 73.41 H new ATOM 0 HD22 ASN A 20 -1.104 -12.485 0.810 1.00 73.41 H new ATOM 311 N LYS A 21 -4.072 -14.894 2.799 1.00 24.33 N ATOM 312 CA LYS A 21 -4.675 -15.617 3.905 1.00 51.45 C ATOM 313 C LYS A 21 -5.677 -14.750 4.652 1.00 3.23 C ATOM 314 O LYS A 21 -5.316 -13.918 5.488 1.00 64.22 O ATOM 315 CB LYS A 21 -3.604 -16.156 4.848 1.00 34.13 C ATOM 316 CG LYS A 21 -2.938 -17.411 4.316 1.00 43.44 C ATOM 317 CD LYS A 21 -3.973 -18.498 4.069 1.00 43.24 C ATOM 318 CE LYS A 21 -3.375 -19.716 3.387 1.00 73.21 C ATOM 319 NZ LYS A 21 -4.401 -20.770 3.159 1.00 63.31 N ATOM 0 H LYS A 21 -3.101 -14.620 2.949 1.00 24.33 H new ATOM 0 HA LYS A 21 -5.220 -16.466 3.492 1.00 51.45 H new ATOM 0 HB2 LYS A 21 -2.848 -15.388 5.010 1.00 34.13 H new ATOM 0 HB3 LYS A 21 -4.053 -16.370 5.818 1.00 34.13 H new ATOM 0 HG2 LYS A 21 -2.411 -17.185 3.389 1.00 43.44 H new ATOM 0 HG3 LYS A 21 -2.193 -17.765 5.029 1.00 43.44 H new ATOM 0 HD2 LYS A 21 -4.417 -18.797 5.019 1.00 43.24 H new ATOM 0 HD3 LYS A 21 -4.778 -18.097 3.453 1.00 43.24 H new ATOM 0 HE2 LYS A 21 -2.935 -19.422 2.434 1.00 73.21 H new ATOM 0 HE3 LYS A 21 -2.568 -20.118 4.000 1.00 73.21 H new ATOM 0 HZ1 LYS A 21 -3.960 -21.588 2.692 1.00 63.31 H new ATOM 0 HZ2 LYS A 21 -4.802 -21.067 4.071 1.00 63.31 H new ATOM 0 HZ3 LYS A 21 -5.158 -20.392 2.554 1.00 63.31 H new ATOM 333 N ARG A 22 -6.942 -14.959 4.332 1.00 43.12 N ATOM 334 CA ARG A 22 -8.032 -14.213 4.930 1.00 72.43 C ATOM 335 C ARG A 22 -9.171 -15.169 5.259 1.00 52.42 C ATOM 336 O ARG A 22 -9.949 -15.556 4.388 1.00 73.23 O ATOM 337 CB ARG A 22 -8.491 -13.095 3.978 1.00 73.14 C ATOM 338 CG ARG A 22 -9.536 -12.139 4.551 1.00 62.33 C ATOM 339 CD ARG A 22 -10.956 -12.668 4.388 1.00 42.15 C ATOM 340 NE ARG A 22 -11.227 -13.080 3.010 1.00 2.11 N ATOM 341 CZ ARG A 22 -12.210 -12.590 2.258 1.00 45.24 C ATOM 342 NH1 ARG A 22 -13.047 -11.681 2.748 1.00 14.12 N ATOM 343 NH2 ARG A 22 -12.364 -13.028 1.015 1.00 3.52 N ATOM 0 H ARG A 22 -7.242 -15.653 3.648 1.00 43.12 H new ATOM 0 HA ARG A 22 -7.698 -13.742 5.854 1.00 72.43 H new ATOM 0 HB2 ARG A 22 -7.618 -12.515 3.677 1.00 73.14 H new ATOM 0 HB3 ARG A 22 -8.897 -13.552 3.076 1.00 73.14 H new ATOM 0 HG2 ARG A 22 -9.332 -11.973 5.609 1.00 62.33 H new ATOM 0 HG3 ARG A 22 -9.452 -11.172 4.054 1.00 62.33 H new ATOM 0 HD2 ARG A 22 -11.108 -13.515 5.057 1.00 42.15 H new ATOM 0 HD3 ARG A 22 -11.667 -11.897 4.684 1.00 42.15 H new ATOM 0 HE ARG A 22 -10.622 -13.790 2.598 1.00 2.11 H new ATOM 0 HH11 ARG A 22 -12.939 -11.353 3.708 1.00 14.12 H new ATOM 0 HH12 ARG A 22 -13.797 -11.311 2.164 1.00 14.12 H new ATOM 0 HH21 ARG A 22 -11.731 -13.736 0.642 1.00 3.52 H new ATOM 0 HH22 ARG A 22 -13.115 -12.657 0.433 1.00 3.52 H new ATOM 357 N TRP A 23 -9.226 -15.577 6.514 1.00 5.00 N ATOM 358 CA TRP A 23 -10.245 -16.504 6.983 1.00 73.14 C ATOM 359 C TRP A 23 -11.279 -15.783 7.837 1.00 14.11 C ATOM 360 O TRP A 23 -12.251 -16.381 8.297 1.00 4.35 O ATOM 361 CB TRP A 23 -9.593 -17.641 7.780 1.00 52.41 C ATOM 362 CG TRP A 23 -8.717 -17.168 8.902 1.00 11.43 C ATOM 363 CD1 TRP A 23 -9.080 -16.972 10.204 1.00 60.24 C ATOM 364 CD2 TRP A 23 -7.323 -16.839 8.819 1.00 31.41 C ATOM 365 NE1 TRP A 23 -8.000 -16.535 10.932 1.00 35.01 N ATOM 366 CE2 TRP A 23 -6.913 -16.446 10.106 1.00 23.43 C ATOM 367 CE3 TRP A 23 -6.385 -16.836 7.780 1.00 61.02 C ATOM 368 CZ2 TRP A 23 -5.606 -16.055 10.381 1.00 2.54 C ATOM 369 CZ3 TRP A 23 -5.088 -16.449 8.058 1.00 54.03 C ATOM 370 CH2 TRP A 23 -4.710 -16.063 9.348 1.00 60.12 C ATOM 0 H TRP A 23 -8.570 -15.278 7.235 1.00 5.00 H new ATOM 0 HA TRP A 23 -10.755 -16.926 6.117 1.00 73.14 H new ATOM 0 HB2 TRP A 23 -10.375 -18.282 8.187 1.00 52.41 H new ATOM 0 HB3 TRP A 23 -9.000 -18.254 7.102 1.00 52.41 H new ATOM 0 HD1 TRP A 23 -10.070 -17.136 10.603 1.00 60.24 H new ATOM 0 HE1 TRP A 23 -8.007 -16.313 11.927 1.00 35.01 H new ATOM 0 HE3 TRP A 23 -6.669 -17.130 6.781 1.00 61.02 H new ATOM 0 HZ2 TRP A 23 -5.310 -15.756 11.376 1.00 2.54 H new ATOM 0 HZ3 TRP A 23 -4.354 -16.445 7.266 1.00 54.03 H new ATOM 0 HH2 TRP A 23 -3.688 -15.765 9.532 1.00 60.12 H new ATOM 381 N SER A 24 -11.066 -14.491 8.037 1.00 61.34 N ATOM 382 CA SER A 24 -11.941 -13.692 8.875 1.00 40.12 C ATOM 383 C SER A 24 -11.721 -12.208 8.603 1.00 74.22 C ATOM 384 O SER A 24 -10.582 -11.767 8.406 1.00 43.22 O ATOM 385 CB SER A 24 -11.684 -14.008 10.354 1.00 61.11 C ATOM 386 OG SER A 24 -12.544 -13.269 11.204 1.00 70.55 O ATOM 0 H SER A 24 -10.289 -13.973 7.627 1.00 61.34 H new ATOM 0 HA SER A 24 -12.977 -13.937 8.639 1.00 40.12 H new ATOM 0 HB2 SER A 24 -11.828 -15.074 10.529 1.00 61.11 H new ATOM 0 HB3 SER A 24 -10.646 -13.782 10.600 1.00 61.11 H new ATOM 0 HG SER A 24 -12.354 -13.496 12.138 1.00 70.55 H new ATOM 392 N GLU A 25 -12.811 -11.448 8.582 1.00 60.13 N ATOM 393 CA GLU A 25 -12.741 -10.004 8.386 1.00 43.45 C ATOM 394 C GLU A 25 -12.114 -9.327 9.598 1.00 41.12 C ATOM 395 O GLU A 25 -11.493 -8.275 9.479 1.00 31.13 O ATOM 396 CB GLU A 25 -14.133 -9.425 8.120 1.00 45.42 C ATOM 397 CG GLU A 25 -14.781 -9.969 6.857 1.00 74.04 C ATOM 398 CD GLU A 25 -13.939 -9.720 5.623 1.00 10.02 C ATOM 399 OE1 GLU A 25 -14.008 -8.610 5.061 1.00 72.45 O ATOM 400 OE2 GLU A 25 -13.186 -10.627 5.216 1.00 45.41 O ATOM 0 H GLU A 25 -13.757 -11.810 8.699 1.00 60.13 H new ATOM 0 HA GLU A 25 -12.113 -9.812 7.516 1.00 43.45 H new ATOM 0 HB2 GLU A 25 -14.777 -9.641 8.972 1.00 45.42 H new ATOM 0 HB3 GLU A 25 -14.059 -8.340 8.043 1.00 45.42 H new ATOM 0 HG2 GLU A 25 -14.948 -11.040 6.970 1.00 74.04 H new ATOM 0 HG3 GLU A 25 -15.759 -9.506 6.726 1.00 74.04 H new ATOM 407 N ASP A 26 -12.262 -9.959 10.759 1.00 41.32 N ATOM 408 CA ASP A 26 -11.701 -9.443 12.008 1.00 32.43 C ATOM 409 C ASP A 26 -10.185 -9.307 11.907 1.00 72.23 C ATOM 410 O ASP A 26 -9.592 -8.359 12.425 1.00 63.12 O ATOM 411 CB ASP A 26 -12.059 -10.380 13.165 1.00 60.40 C ATOM 412 CG ASP A 26 -11.428 -9.966 14.481 1.00 3.35 C ATOM 413 OD1 ASP A 26 -10.299 -10.415 14.771 1.00 24.31 O ATOM 414 OD2 ASP A 26 -12.063 -9.205 15.240 1.00 74.22 O ATOM 0 H ASP A 26 -12.770 -10.837 10.863 1.00 41.32 H new ATOM 0 HA ASP A 26 -12.126 -8.456 12.193 1.00 32.43 H new ATOM 0 HB2 ASP A 26 -13.142 -10.408 13.281 1.00 60.40 H new ATOM 0 HB3 ASP A 26 -11.739 -11.392 12.918 1.00 60.40 H new ATOM 419 N HIS A 27 -9.571 -10.242 11.194 1.00 61.41 N ATOM 420 CA HIS A 27 -8.121 -10.298 11.081 1.00 25.12 C ATOM 421 C HIS A 27 -7.572 -9.061 10.374 1.00 61.25 C ATOM 422 O HIS A 27 -6.440 -8.650 10.631 1.00 40.44 O ATOM 423 CB HIS A 27 -7.693 -11.569 10.337 1.00 35.30 C ATOM 424 CG HIS A 27 -6.223 -11.863 10.427 1.00 10.23 C ATOM 425 ND1 HIS A 27 -5.670 -12.609 11.445 1.00 50.13 N ATOM 426 CD2 HIS A 27 -5.191 -11.508 9.625 1.00 3.50 C ATOM 427 CE1 HIS A 27 -4.367 -12.698 11.269 1.00 52.13 C ATOM 428 NE2 HIS A 27 -4.050 -12.041 10.170 1.00 62.52 N ATOM 0 H HIS A 27 -10.060 -10.977 10.682 1.00 61.41 H new ATOM 0 HA HIS A 27 -7.707 -10.321 12.089 1.00 25.12 H new ATOM 0 HB2 HIS A 27 -8.248 -12.417 10.738 1.00 35.30 H new ATOM 0 HB3 HIS A 27 -7.971 -11.474 9.287 1.00 35.30 H new ATOM 0 HD2 HIS A 27 -5.254 -10.916 8.724 1.00 3.50 H new ATOM 0 HE1 HIS A 27 -3.676 -13.220 11.915 1.00 52.13 H new ATOM 0 HE2 HIS A 27 -3.109 -11.945 9.787 1.00 62.52 H new ATOM 437 N ARG A 28 -8.372 -8.454 9.493 1.00 11.50 N ATOM 438 CA ARG A 28 -7.903 -7.291 8.741 1.00 53.00 C ATOM 439 C ARG A 28 -7.807 -6.075 9.654 1.00 71.13 C ATOM 440 O ARG A 28 -7.040 -5.158 9.391 1.00 51.12 O ATOM 441 CB ARG A 28 -8.799 -6.972 7.531 1.00 10.32 C ATOM 442 CG ARG A 28 -10.072 -6.210 7.872 1.00 55.31 C ATOM 443 CD ARG A 28 -10.746 -5.662 6.625 1.00 61.14 C ATOM 444 NE ARG A 28 -12.008 -4.994 6.937 1.00 72.24 N ATOM 445 CZ ARG A 28 -12.681 -4.220 6.082 1.00 20.33 C ATOM 446 NH1 ARG A 28 -12.192 -3.955 4.874 1.00 71.03 N ATOM 447 NH2 ARG A 28 -13.845 -3.694 6.446 1.00 61.41 N ATOM 0 H ARG A 28 -9.328 -8.742 9.287 1.00 11.50 H new ATOM 0 HA ARG A 28 -6.914 -7.538 8.356 1.00 53.00 H new ATOM 0 HB2 ARG A 28 -8.223 -6.389 6.812 1.00 10.32 H new ATOM 0 HB3 ARG A 28 -9.070 -7.906 7.039 1.00 10.32 H new ATOM 0 HG2 ARG A 28 -10.761 -6.869 8.399 1.00 55.31 H new ATOM 0 HG3 ARG A 28 -9.835 -5.389 8.549 1.00 55.31 H new ATOM 0 HD2 ARG A 28 -10.076 -4.959 6.129 1.00 61.14 H new ATOM 0 HD3 ARG A 28 -10.930 -6.476 5.924 1.00 61.14 H new ATOM 0 HE ARG A 28 -12.400 -5.128 7.869 1.00 72.24 H new ATOM 0 HH11 ARG A 28 -11.293 -4.345 4.591 1.00 71.03 H new ATOM 0 HH12 ARG A 28 -12.716 -3.362 4.230 1.00 71.03 H new ATOM 0 HH21 ARG A 28 -14.221 -3.882 7.375 1.00 61.41 H new ATOM 0 HH22 ARG A 28 -14.363 -3.102 5.796 1.00 61.41 H new ATOM 461 N SER A 29 -8.579 -6.079 10.732 1.00 13.33 N ATOM 462 CA SER A 29 -8.552 -4.985 11.691 1.00 15.31 C ATOM 463 C SER A 29 -7.265 -5.033 12.514 1.00 31.12 C ATOM 464 O SER A 29 -6.711 -4.002 12.892 1.00 5.31 O ATOM 465 CB SER A 29 -9.777 -5.067 12.600 1.00 71.21 C ATOM 466 OG SER A 29 -10.964 -5.189 11.831 1.00 22.32 O ATOM 0 H SER A 29 -9.231 -6.828 10.964 1.00 13.33 H new ATOM 0 HA SER A 29 -8.576 -4.037 11.154 1.00 15.31 H new ATOM 0 HB2 SER A 29 -9.682 -5.921 13.270 1.00 71.21 H new ATOM 0 HB3 SER A 29 -9.833 -4.176 13.225 1.00 71.21 H new ATOM 0 HG SER A 29 -11.738 -5.242 12.430 1.00 22.32 H new ATOM 472 N ARG A 30 -6.782 -6.244 12.762 1.00 31.14 N ATOM 473 CA ARG A 30 -5.564 -6.442 13.534 1.00 45.21 C ATOM 474 C ARG A 30 -4.334 -6.079 12.715 1.00 70.04 C ATOM 475 O ARG A 30 -3.379 -5.494 13.225 1.00 13.14 O ATOM 476 CB ARG A 30 -5.470 -7.892 14.012 1.00 70.34 C ATOM 477 CG ARG A 30 -6.577 -8.278 14.977 1.00 52.01 C ATOM 478 CD ARG A 30 -6.580 -7.349 16.176 1.00 54.14 C ATOM 479 NE ARG A 30 -7.637 -7.674 17.132 1.00 41.22 N ATOM 480 CZ ARG A 30 -7.689 -7.195 18.372 1.00 22.12 C ATOM 481 NH1 ARG A 30 -6.713 -6.415 18.831 1.00 52.43 N ATOM 482 NH2 ARG A 30 -8.709 -7.507 19.156 1.00 11.12 N ATOM 0 H ARG A 30 -7.218 -7.107 12.437 1.00 31.14 H new ATOM 0 HA ARG A 30 -5.602 -5.784 14.402 1.00 45.21 H new ATOM 0 HB2 ARG A 30 -5.503 -8.555 13.148 1.00 70.34 H new ATOM 0 HB3 ARG A 30 -4.505 -8.046 14.496 1.00 70.34 H new ATOM 0 HG2 ARG A 30 -7.541 -8.233 14.471 1.00 52.01 H new ATOM 0 HG3 ARG A 30 -6.438 -9.308 15.307 1.00 52.01 H new ATOM 0 HD2 ARG A 30 -5.613 -7.403 16.676 1.00 54.14 H new ATOM 0 HD3 ARG A 30 -6.706 -6.321 15.835 1.00 54.14 H new ATOM 0 HE ARG A 30 -8.379 -8.306 16.830 1.00 41.22 H new ATOM 0 HH11 ARG A 30 -5.921 -6.182 18.231 1.00 52.43 H new ATOM 0 HH12 ARG A 30 -6.757 -6.050 19.782 1.00 52.43 H new ATOM 0 HH21 ARG A 30 -9.452 -8.113 18.809 1.00 11.12 H new ATOM 0 HH22 ARG A 30 -8.752 -7.141 20.107 1.00 11.12 H new ATOM 496 N VAL A 31 -4.368 -6.429 11.439 1.00 13.33 N ATOM 497 CA VAL A 31 -3.266 -6.121 10.533 1.00 31.52 C ATOM 498 C VAL A 31 -3.381 -4.699 9.983 1.00 62.05 C ATOM 499 O VAL A 31 -2.429 -4.174 9.409 1.00 43.23 O ATOM 500 CB VAL A 31 -3.169 -7.123 9.361 1.00 74.35 C ATOM 501 CG1 VAL A 31 -2.957 -8.537 9.882 1.00 13.04 C ATOM 502 CG2 VAL A 31 -4.404 -7.056 8.477 1.00 63.03 C ATOM 0 H VAL A 31 -5.145 -6.927 11.005 1.00 13.33 H new ATOM 0 HA VAL A 31 -2.354 -6.205 11.124 1.00 31.52 H new ATOM 0 HB VAL A 31 -2.308 -6.846 8.753 1.00 74.35 H new ATOM 0 HG11 VAL A 31 -2.891 -9.228 9.042 1.00 13.04 H new ATOM 0 HG12 VAL A 31 -2.033 -8.578 10.459 1.00 13.04 H new ATOM 0 HG13 VAL A 31 -3.795 -8.819 10.519 1.00 13.04 H new ATOM 0 HG21 VAL A 31 -4.307 -7.772 7.661 1.00 63.03 H new ATOM 0 HG22 VAL A 31 -5.288 -7.297 9.068 1.00 63.03 H new ATOM 0 HG23 VAL A 31 -4.504 -6.051 8.067 1.00 63.03 H new ATOM 512 N LEU A 32 -4.556 -4.094 10.145 1.00 4.42 N ATOM 513 CA LEU A 32 -4.806 -2.733 9.675 1.00 10.40 C ATOM 514 C LEU A 32 -3.743 -1.782 10.213 1.00 62.35 C ATOM 515 O LEU A 32 -3.114 -1.046 9.456 1.00 63.13 O ATOM 516 CB LEU A 32 -6.210 -2.278 10.106 1.00 62.33 C ATOM 517 CG LEU A 32 -6.751 -1.001 9.440 1.00 42.55 C ATOM 518 CD1 LEU A 32 -8.267 -0.952 9.562 1.00 63.32 C ATOM 519 CD2 LEU A 32 -6.145 0.252 10.065 1.00 14.34 C ATOM 0 H LEU A 32 -5.357 -4.530 10.603 1.00 4.42 H new ATOM 0 HA LEU A 32 -4.755 -2.720 8.586 1.00 10.40 H new ATOM 0 HB2 LEU A 32 -6.909 -3.090 9.905 1.00 62.33 H new ATOM 0 HB3 LEU A 32 -6.203 -2.123 11.185 1.00 62.33 H new ATOM 0 HG LEU A 32 -6.469 -1.028 8.388 1.00 42.55 H new ATOM 0 HD11 LEU A 32 -8.641 -0.045 9.088 1.00 63.32 H new ATOM 0 HD12 LEU A 32 -8.700 -1.823 9.070 1.00 63.32 H new ATOM 0 HD13 LEU A 32 -8.547 -0.953 10.615 1.00 63.32 H new ATOM 0 HD21 LEU A 32 -6.548 1.136 9.572 1.00 14.34 H new ATOM 0 HD22 LEU A 32 -6.391 0.285 11.126 1.00 14.34 H new ATOM 0 HD23 LEU A 32 -5.062 0.231 9.944 1.00 14.34 H new ATOM 531 N ARG A 33 -3.530 -1.816 11.521 1.00 50.31 N ATOM 532 CA ARG A 33 -2.537 -0.953 12.145 1.00 71.40 C ATOM 533 C ARG A 33 -1.134 -1.283 11.636 1.00 10.10 C ATOM 534 O ARG A 33 -0.266 -0.414 11.573 1.00 64.32 O ATOM 535 CB ARG A 33 -2.583 -1.057 13.672 1.00 75.41 C ATOM 536 CG ARG A 33 -2.268 -2.442 14.210 1.00 72.34 C ATOM 537 CD ARG A 33 -1.776 -2.382 15.646 1.00 64.41 C ATOM 538 NE ARG A 33 -0.529 -1.634 15.750 1.00 53.02 N ATOM 539 CZ ARG A 33 0.639 -2.177 16.075 1.00 33.32 C ATOM 540 NH1 ARG A 33 0.730 -3.474 16.334 1.00 33.42 N ATOM 541 NH2 ARG A 33 1.720 -1.418 16.133 1.00 41.35 N ATOM 0 H ARG A 33 -4.028 -2.428 12.167 1.00 50.31 H new ATOM 0 HA ARG A 33 -2.778 0.074 11.869 1.00 71.40 H new ATOM 0 HB2 ARG A 33 -1.875 -0.345 14.095 1.00 75.41 H new ATOM 0 HB3 ARG A 33 -3.575 -0.763 14.016 1.00 75.41 H new ATOM 0 HG2 ARG A 33 -3.160 -3.066 14.155 1.00 72.34 H new ATOM 0 HG3 ARG A 33 -1.510 -2.913 13.584 1.00 72.34 H new ATOM 0 HD2 ARG A 33 -2.535 -1.915 16.273 1.00 64.41 H new ATOM 0 HD3 ARG A 33 -1.628 -3.394 16.024 1.00 64.41 H new ATOM 0 HE ARG A 33 -0.555 -0.632 15.562 1.00 53.02 H new ATOM 0 HH11 ARG A 33 -0.101 -4.063 16.284 1.00 33.42 H new ATOM 0 HH12 ARG A 33 1.631 -3.882 16.583 1.00 33.42 H new ATOM 0 HH21 ARG A 33 1.655 -0.421 15.929 1.00 41.35 H new ATOM 0 HH22 ARG A 33 2.619 -1.830 16.382 1.00 41.35 H new ATOM 555 N TYR A 34 -0.920 -2.545 11.269 1.00 74.45 N ATOM 556 CA TYR A 34 0.373 -2.984 10.765 1.00 73.44 C ATOM 557 C TYR A 34 0.635 -2.397 9.380 1.00 41.13 C ATOM 558 O TYR A 34 1.700 -1.841 9.126 1.00 11.23 O ATOM 559 CB TYR A 34 0.441 -4.518 10.717 1.00 72.22 C ATOM 560 CG TYR A 34 1.762 -5.063 10.214 1.00 62.25 C ATOM 561 CD1 TYR A 34 2.824 -5.279 11.085 1.00 23.13 C ATOM 562 CD2 TYR A 34 1.947 -5.362 8.869 1.00 2.03 C ATOM 563 CE1 TYR A 34 4.031 -5.776 10.629 1.00 64.22 C ATOM 564 CE2 TYR A 34 3.149 -5.859 8.407 1.00 72.53 C ATOM 565 CZ TYR A 34 4.189 -6.064 9.290 1.00 13.24 C ATOM 566 OH TYR A 34 5.390 -6.557 8.831 1.00 64.01 O ATOM 0 H TYR A 34 -1.627 -3.279 11.312 1.00 74.45 H new ATOM 0 HA TYR A 34 1.145 -2.625 11.445 1.00 73.44 H new ATOM 0 HB2 TYR A 34 0.255 -4.911 11.717 1.00 72.22 H new ATOM 0 HB3 TYR A 34 -0.360 -4.887 10.076 1.00 72.22 H new ATOM 0 HD1 TYR A 34 2.704 -5.055 12.135 1.00 23.13 H new ATOM 0 HD2 TYR A 34 1.136 -5.203 8.174 1.00 2.03 H new ATOM 0 HE1 TYR A 34 4.846 -5.938 11.319 1.00 64.22 H new ATOM 0 HE2 TYR A 34 3.275 -6.086 7.359 1.00 72.53 H new ATOM 0 HH TYR A 34 5.334 -6.708 7.864 1.00 64.01 H new ATOM 576 N LEU A 35 -0.344 -2.504 8.491 1.00 11.55 N ATOM 577 CA LEU A 35 -0.175 -2.019 7.125 1.00 71.24 C ATOM 578 C LEU A 35 -0.135 -0.494 7.083 1.00 51.01 C ATOM 579 O LEU A 35 0.523 0.094 6.228 1.00 32.12 O ATOM 580 CB LEU A 35 -1.273 -2.585 6.202 1.00 3.50 C ATOM 581 CG LEU A 35 -2.729 -2.382 6.651 1.00 54.22 C ATOM 582 CD1 LEU A 35 -3.252 -1.019 6.224 1.00 45.51 C ATOM 583 CD2 LEU A 35 -3.607 -3.491 6.092 1.00 41.21 C ATOM 0 H LEU A 35 -1.255 -2.918 8.687 1.00 11.55 H new ATOM 0 HA LEU A 35 0.785 -2.378 6.754 1.00 71.24 H new ATOM 0 HB2 LEU A 35 -1.155 -2.133 5.217 1.00 3.50 H new ATOM 0 HB3 LEU A 35 -1.100 -3.655 6.085 1.00 3.50 H new ATOM 0 HG LEU A 35 -2.759 -2.422 7.740 1.00 54.22 H new ATOM 0 HD11 LEU A 35 -4.284 -0.905 6.556 1.00 45.51 H new ATOM 0 HD12 LEU A 35 -2.638 -0.237 6.672 1.00 45.51 H new ATOM 0 HD13 LEU A 35 -3.209 -0.937 5.138 1.00 45.51 H new ATOM 0 HD21 LEU A 35 -4.637 -3.338 6.416 1.00 41.21 H new ATOM 0 HD22 LEU A 35 -3.563 -3.476 5.003 1.00 41.21 H new ATOM 0 HD23 LEU A 35 -3.252 -4.455 6.456 1.00 41.21 H new ATOM 595 N GLU A 36 -0.818 0.138 8.024 1.00 4.12 N ATOM 596 CA GLU A 36 -0.834 1.590 8.106 1.00 1.43 C ATOM 597 C GLU A 36 0.484 2.127 8.666 1.00 73.43 C ATOM 598 O GLU A 36 0.909 3.224 8.324 1.00 14.51 O ATOM 599 CB GLU A 36 -2.013 2.067 8.961 1.00 60.41 C ATOM 600 CG GLU A 36 -2.103 3.580 9.078 1.00 62.02 C ATOM 601 CD GLU A 36 -3.337 4.042 9.821 1.00 30.20 C ATOM 602 OE1 GLU A 36 -3.333 4.018 11.071 1.00 43.22 O ATOM 603 OE2 GLU A 36 -4.314 4.452 9.160 1.00 60.45 O ATOM 0 H GLU A 36 -1.369 -0.332 8.742 1.00 4.12 H new ATOM 0 HA GLU A 36 -0.954 1.981 7.096 1.00 1.43 H new ATOM 0 HB2 GLU A 36 -2.940 1.688 8.531 1.00 60.41 H new ATOM 0 HB3 GLU A 36 -1.925 1.638 9.959 1.00 60.41 H new ATOM 0 HG2 GLU A 36 -1.216 3.953 9.590 1.00 62.02 H new ATOM 0 HG3 GLU A 36 -2.102 4.017 8.079 1.00 62.02 H new ATOM 610 N LEU A 37 1.141 1.350 9.517 1.00 1.13 N ATOM 611 CA LEU A 37 2.348 1.822 10.183 1.00 12.42 C ATOM 612 C LEU A 37 3.623 1.327 9.496 1.00 50.42 C ATOM 613 O LEU A 37 4.669 1.970 9.583 1.00 30.13 O ATOM 614 CB LEU A 37 2.344 1.382 11.648 1.00 13.31 C ATOM 615 CG LEU A 37 3.491 1.939 12.496 1.00 13.22 C ATOM 616 CD1 LEU A 37 3.393 3.453 12.605 1.00 53.44 C ATOM 617 CD2 LEU A 37 3.491 1.305 13.876 1.00 11.41 C ATOM 0 H LEU A 37 0.862 0.400 9.761 1.00 1.13 H new ATOM 0 HA LEU A 37 2.346 2.910 10.123 1.00 12.42 H new ATOM 0 HB2 LEU A 37 1.399 1.684 12.099 1.00 13.31 H new ATOM 0 HB3 LEU A 37 2.381 0.293 11.684 1.00 13.31 H new ATOM 0 HG LEU A 37 4.431 1.692 12.003 1.00 13.22 H new ATOM 0 HD11 LEU A 37 4.217 3.828 13.212 1.00 53.44 H new ATOM 0 HD12 LEU A 37 3.445 3.894 11.609 1.00 53.44 H new ATOM 0 HD13 LEU A 37 2.446 3.724 13.072 1.00 53.44 H new ATOM 0 HD21 LEU A 37 4.313 1.713 14.464 1.00 11.41 H new ATOM 0 HD22 LEU A 37 2.546 1.520 14.375 1.00 11.41 H new ATOM 0 HD23 LEU A 37 3.614 0.226 13.781 1.00 11.41 H new ATOM 629 N TYR A 38 3.549 0.188 8.824 1.00 3.10 N ATOM 630 CA TYR A 38 4.744 -0.406 8.233 1.00 44.11 C ATOM 631 C TYR A 38 4.753 -0.309 6.711 1.00 24.11 C ATOM 632 O TYR A 38 5.812 -0.142 6.108 1.00 34.22 O ATOM 633 CB TYR A 38 4.883 -1.864 8.669 1.00 23.31 C ATOM 634 CG TYR A 38 5.175 -2.022 10.146 1.00 42.44 C ATOM 635 CD1 TYR A 38 4.147 -2.069 11.080 1.00 12.33 C ATOM 636 CD2 TYR A 38 6.482 -2.117 10.607 1.00 54.53 C ATOM 637 CE1 TYR A 38 4.413 -2.204 12.427 1.00 32.32 C ATOM 638 CE2 TYR A 38 6.756 -2.251 11.954 1.00 43.13 C ATOM 639 CZ TYR A 38 5.718 -2.293 12.858 1.00 13.13 C ATOM 640 OH TYR A 38 5.990 -2.418 14.201 1.00 54.13 O ATOM 0 H TYR A 38 2.689 -0.339 8.674 1.00 3.10 H new ATOM 0 HA TYR A 38 5.598 0.166 8.597 1.00 44.11 H new ATOM 0 HB2 TYR A 38 3.963 -2.397 8.428 1.00 23.31 H new ATOM 0 HB3 TYR A 38 5.683 -2.333 8.095 1.00 23.31 H new ATOM 0 HD1 TYR A 38 3.122 -1.999 10.746 1.00 12.33 H new ATOM 0 HD2 TYR A 38 7.298 -2.086 9.900 1.00 54.53 H new ATOM 0 HE1 TYR A 38 3.602 -2.240 13.140 1.00 32.32 H new ATOM 0 HE2 TYR A 38 7.778 -2.322 12.296 1.00 43.13 H new ATOM 0 HH TYR A 38 6.959 -2.469 14.335 1.00 54.13 H new ATOM 650 N ILE A 39 3.586 -0.415 6.087 1.00 44.12 N ATOM 651 CA ILE A 39 3.509 -0.391 4.629 1.00 64.52 C ATOM 652 C ILE A 39 3.452 1.047 4.123 1.00 72.31 C ATOM 653 O ILE A 39 4.303 1.474 3.342 1.00 5.15 O ATOM 654 CB ILE A 39 2.287 -1.177 4.098 1.00 25.53 C ATOM 655 CG1 ILE A 39 2.280 -2.605 4.660 1.00 72.50 C ATOM 656 CG2 ILE A 39 2.290 -1.206 2.574 1.00 21.01 C ATOM 657 CD1 ILE A 39 3.508 -3.414 4.298 1.00 22.33 C ATOM 0 H ILE A 39 2.688 -0.517 6.560 1.00 44.12 H new ATOM 0 HA ILE A 39 4.409 -0.877 4.253 1.00 64.52 H new ATOM 0 HB ILE A 39 1.382 -0.670 4.432 1.00 25.53 H new ATOM 0 HG12 ILE A 39 2.196 -2.557 5.746 1.00 72.50 H new ATOM 0 HG13 ILE A 39 1.394 -3.124 4.294 1.00 72.50 H new ATOM 0 HG21 ILE A 39 1.423 -1.763 2.219 1.00 21.01 H new ATOM 0 HG22 ILE A 39 2.248 -0.187 2.191 1.00 21.01 H new ATOM 0 HG23 ILE A 39 3.201 -1.689 2.221 1.00 21.01 H new ATOM 0 HD11 ILE A 39 3.428 -4.411 4.732 1.00 22.33 H new ATOM 0 HD12 ILE A 39 3.584 -3.495 3.214 1.00 22.33 H new ATOM 0 HD13 ILE A 39 4.398 -2.919 4.688 1.00 22.33 H new ATOM 669 N PHE A 40 2.457 1.797 4.575 1.00 42.30 N ATOM 670 CA PHE A 40 2.343 3.202 4.208 1.00 52.21 C ATOM 671 C PHE A 40 2.111 4.071 5.444 1.00 40.44 C ATOM 672 O PHE A 40 0.999 4.521 5.702 1.00 25.32 O ATOM 673 CB PHE A 40 1.246 3.422 3.145 1.00 21.25 C ATOM 674 CG PHE A 40 -0.058 2.697 3.385 1.00 72.03 C ATOM 675 CD1 PHE A 40 -0.199 1.364 3.028 1.00 12.15 C ATOM 676 CD2 PHE A 40 -1.147 3.352 3.940 1.00 70.52 C ATOM 677 CE1 PHE A 40 -1.395 0.701 3.220 1.00 43.42 C ATOM 678 CE2 PHE A 40 -2.346 2.692 4.138 1.00 10.55 C ATOM 679 CZ PHE A 40 -2.470 1.363 3.777 1.00 53.13 C ATOM 0 H PHE A 40 1.720 1.459 5.194 1.00 42.30 H new ATOM 0 HA PHE A 40 3.288 3.508 3.760 1.00 52.21 H new ATOM 0 HB2 PHE A 40 1.039 4.490 3.080 1.00 21.25 H new ATOM 0 HB3 PHE A 40 1.638 3.113 2.176 1.00 21.25 H new ATOM 0 HD1 PHE A 40 0.638 0.837 2.594 1.00 12.15 H new ATOM 0 HD2 PHE A 40 -1.058 4.391 4.221 1.00 70.52 H new ATOM 0 HE1 PHE A 40 -1.489 -0.336 2.934 1.00 43.42 H new ATOM 0 HE2 PHE A 40 -3.185 3.214 4.574 1.00 10.55 H new ATOM 0 HZ PHE A 40 -3.405 0.845 3.930 1.00 53.13 H new ATOM 689 N PRO A 41 3.174 4.313 6.231 1.00 23.55 N ATOM 690 CA PRO A 41 3.062 5.018 7.510 1.00 31.51 C ATOM 691 C PRO A 41 2.882 6.528 7.370 1.00 13.12 C ATOM 692 O PRO A 41 1.897 7.088 7.849 1.00 32.22 O ATOM 693 CB PRO A 41 4.390 4.704 8.204 1.00 13.20 C ATOM 694 CG PRO A 41 5.356 4.430 7.100 1.00 40.13 C ATOM 695 CD PRO A 41 4.558 3.891 5.943 1.00 2.23 C ATOM 0 HA PRO A 41 2.177 4.694 8.058 1.00 31.51 H new ATOM 0 HB2 PRO A 41 4.721 5.542 8.817 1.00 13.20 H new ATOM 0 HB3 PRO A 41 4.294 3.843 8.866 1.00 13.20 H new ATOM 0 HG2 PRO A 41 5.884 5.340 6.814 1.00 40.13 H new ATOM 0 HG3 PRO A 41 6.111 3.710 7.417 1.00 40.13 H new ATOM 0 HD2 PRO A 41 4.909 4.296 4.994 1.00 2.23 H new ATOM 0 HD3 PRO A 41 4.638 2.806 5.875 1.00 2.23 H new ATOM 703 N HIS A 42 3.814 7.189 6.696 1.00 51.22 N ATOM 704 CA HIS A 42 3.766 8.641 6.590 1.00 74.00 C ATOM 705 C HIS A 42 2.928 9.063 5.394 1.00 34.10 C ATOM 706 O HIS A 42 2.510 10.213 5.289 1.00 61.34 O ATOM 707 CB HIS A 42 5.175 9.224 6.486 1.00 64.22 C ATOM 708 CG HIS A 42 5.243 10.675 6.851 1.00 1.53 C ATOM 709 ND1 HIS A 42 6.108 11.568 6.262 1.00 30.32 N ATOM 710 CD2 HIS A 42 4.550 11.381 7.775 1.00 72.34 C ATOM 711 CE1 HIS A 42 5.946 12.758 6.806 1.00 13.41 C ATOM 712 NE2 HIS A 42 5.007 12.669 7.724 1.00 15.34 N ATOM 0 H HIS A 42 4.602 6.750 6.220 1.00 51.22 H new ATOM 0 HA HIS A 42 3.299 9.032 7.494 1.00 74.00 H new ATOM 0 HB2 HIS A 42 5.843 8.661 7.138 1.00 64.22 H new ATOM 0 HB3 HIS A 42 5.540 9.095 5.467 1.00 64.22 H new ATOM 0 HD2 HIS A 42 3.781 10.999 8.430 1.00 72.34 H new ATOM 0 HE1 HIS A 42 6.491 13.653 6.543 1.00 13.41 H new ATOM 0 HE2 HIS A 42 4.673 13.438 8.305 1.00 15.34 H new ATOM 721 N ILE A 43 2.683 8.123 4.497 1.00 23.22 N ATOM 722 CA ILE A 43 1.852 8.385 3.332 1.00 31.24 C ATOM 723 C ILE A 43 0.463 7.792 3.525 1.00 55.22 C ATOM 724 O ILE A 43 -0.349 7.765 2.604 1.00 63.23 O ATOM 725 CB ILE A 43 2.480 7.821 2.040 1.00 21.34 C ATOM 726 CG1 ILE A 43 2.838 6.342 2.219 1.00 33.22 C ATOM 727 CG2 ILE A 43 3.706 8.636 1.647 1.00 70.30 C ATOM 728 CD1 ILE A 43 3.370 5.685 0.963 1.00 73.24 C ATOM 0 H ILE A 43 3.047 7.172 4.552 1.00 23.22 H new ATOM 0 HA ILE A 43 1.776 9.467 3.227 1.00 31.24 H new ATOM 0 HB ILE A 43 1.749 7.896 1.235 1.00 21.34 H new ATOM 0 HG12 ILE A 43 3.584 6.251 3.009 1.00 33.22 H new ATOM 0 HG13 ILE A 43 1.952 5.801 2.553 1.00 33.22 H new ATOM 0 HG21 ILE A 43 4.138 8.226 0.734 1.00 70.30 H new ATOM 0 HG22 ILE A 43 3.415 9.673 1.477 1.00 70.30 H new ATOM 0 HG23 ILE A 43 4.444 8.593 2.448 1.00 70.30 H new ATOM 0 HD11 ILE A 43 3.601 4.640 1.169 1.00 73.24 H new ATOM 0 HD12 ILE A 43 2.618 5.742 0.176 1.00 73.24 H new ATOM 0 HD13 ILE A 43 4.275 6.199 0.639 1.00 73.24 H new ATOM 740 N GLY A 44 0.189 7.341 4.746 1.00 4.30 N ATOM 741 CA GLY A 44 -1.107 6.765 5.061 1.00 3.11 C ATOM 742 C GLY A 44 -2.187 7.817 5.189 1.00 13.24 C ATOM 743 O GLY A 44 -3.335 7.505 5.503 1.00 62.33 O ATOM 0 H GLY A 44 0.845 7.365 5.527 1.00 4.30 H new ATOM 0 HA2 GLY A 44 -1.385 6.055 4.283 1.00 3.11 H new ATOM 0 HA3 GLY A 44 -1.036 6.205 5.993 1.00 3.11 H new ATOM 747 N SER A 45 -1.810 9.067 4.965 1.00 75.11 N ATOM 748 CA SER A 45 -2.755 10.164 4.951 1.00 64.01 C ATOM 749 C SER A 45 -3.338 10.332 3.553 1.00 31.21 C ATOM 750 O SER A 45 -4.305 11.066 3.350 1.00 32.04 O ATOM 751 CB SER A 45 -2.059 11.447 5.406 1.00 11.04 C ATOM 752 OG SER A 45 -0.766 11.560 4.827 1.00 33.24 O ATOM 0 H SER A 45 -0.844 9.344 4.789 1.00 75.11 H new ATOM 0 HA SER A 45 -3.573 9.948 5.639 1.00 64.01 H new ATOM 0 HB2 SER A 45 -2.663 12.311 5.127 1.00 11.04 H new ATOM 0 HB3 SER A 45 -1.976 11.454 6.493 1.00 11.04 H new ATOM 0 HG SER A 45 -0.763 11.129 3.947 1.00 33.24 H new ATOM 758 N SER A 46 -2.740 9.635 2.592 1.00 54.51 N ATOM 759 CA SER A 46 -3.193 9.673 1.215 1.00 62.10 C ATOM 760 C SER A 46 -3.878 8.361 0.842 1.00 72.41 C ATOM 761 O SER A 46 -3.245 7.306 0.796 1.00 40.25 O ATOM 762 CB SER A 46 -2.009 9.941 0.282 1.00 44.12 C ATOM 763 OG SER A 46 -1.350 11.147 0.637 1.00 24.24 O ATOM 0 H SER A 46 -1.932 9.032 2.749 1.00 54.51 H new ATOM 0 HA SER A 46 -3.917 10.481 1.106 1.00 62.10 H new ATOM 0 HB2 SER A 46 -1.306 9.109 0.331 1.00 44.12 H new ATOM 0 HB3 SER A 46 -2.359 10.002 -0.748 1.00 44.12 H new ATOM 0 HG SER A 46 -0.596 11.299 0.030 1.00 24.24 H new ATOM 769 N ASP A 47 -5.178 8.436 0.599 1.00 21.30 N ATOM 770 CA ASP A 47 -5.955 7.263 0.211 1.00 72.43 C ATOM 771 C ASP A 47 -5.754 6.970 -1.274 1.00 52.33 C ATOM 772 O ASP A 47 -5.319 7.842 -2.028 1.00 53.34 O ATOM 773 CB ASP A 47 -7.442 7.485 0.526 1.00 2.00 C ATOM 774 CG ASP A 47 -8.317 6.316 0.110 1.00 24.32 C ATOM 775 OD1 ASP A 47 -8.418 5.335 0.880 1.00 31.21 O ATOM 776 OD2 ASP A 47 -8.894 6.373 -0.990 1.00 55.02 O ATOM 0 H ASP A 47 -5.720 9.298 0.663 1.00 21.30 H new ATOM 0 HA ASP A 47 -5.609 6.402 0.782 1.00 72.43 H new ATOM 0 HB2 ASP A 47 -7.559 7.657 1.596 1.00 2.00 H new ATOM 0 HB3 ASP A 47 -7.785 8.387 0.019 1.00 2.00 H new ATOM 781 N ILE A 48 -6.085 5.747 -1.689 1.00 72.01 N ATOM 782 CA ILE A 48 -5.890 5.304 -3.068 1.00 43.42 C ATOM 783 C ILE A 48 -6.614 6.218 -4.058 1.00 25.33 C ATOM 784 O ILE A 48 -6.228 6.314 -5.225 1.00 20.31 O ATOM 785 CB ILE A 48 -6.376 3.847 -3.259 1.00 11.53 C ATOM 786 CG1 ILE A 48 -5.985 3.325 -4.643 1.00 20.14 C ATOM 787 CG2 ILE A 48 -7.885 3.758 -3.057 1.00 52.34 C ATOM 788 CD1 ILE A 48 -6.332 1.871 -4.866 1.00 13.43 C ATOM 0 H ILE A 48 -6.494 5.038 -1.080 1.00 72.01 H new ATOM 0 HA ILE A 48 -4.820 5.351 -3.269 1.00 43.42 H new ATOM 0 HB ILE A 48 -5.891 3.221 -2.510 1.00 11.53 H new ATOM 0 HG12 ILE A 48 -6.482 3.928 -5.403 1.00 20.14 H new ATOM 0 HG13 ILE A 48 -4.912 3.458 -4.782 1.00 20.14 H new ATOM 0 HG21 ILE A 48 -8.210 2.727 -3.195 1.00 52.34 H new ATOM 0 HG22 ILE A 48 -8.137 4.086 -2.049 1.00 52.34 H new ATOM 0 HG23 ILE A 48 -8.388 4.397 -3.783 1.00 52.34 H new ATOM 0 HD11 ILE A 48 -6.025 1.573 -5.869 1.00 13.43 H new ATOM 0 HD12 ILE A 48 -5.814 1.256 -4.130 1.00 13.43 H new ATOM 0 HD13 ILE A 48 -7.408 1.733 -4.760 1.00 13.43 H new ATOM 800 N ARG A 49 -7.649 6.906 -3.574 1.00 43.13 N ATOM 801 CA ARG A 49 -8.401 7.856 -4.388 1.00 4.14 C ATOM 802 C ARG A 49 -7.475 8.906 -5.010 1.00 63.53 C ATOM 803 O ARG A 49 -7.778 9.466 -6.064 1.00 63.32 O ATOM 804 CB ARG A 49 -9.477 8.542 -3.539 1.00 61.22 C ATOM 805 CG ARG A 49 -8.918 9.359 -2.383 1.00 72.14 C ATOM 806 CD ARG A 49 -10.023 9.912 -1.500 1.00 75.02 C ATOM 807 NE ARG A 49 -9.495 10.785 -0.447 1.00 12.11 N ATOM 808 CZ ARG A 49 -10.059 10.939 0.753 1.00 60.45 C ATOM 809 NH1 ARG A 49 -11.161 10.273 1.069 1.00 74.31 N ATOM 810 NH2 ARG A 49 -9.515 11.761 1.640 1.00 4.14 N ATOM 0 H ARG A 49 -7.986 6.820 -2.615 1.00 43.13 H new ATOM 0 HA ARG A 49 -8.880 7.303 -5.197 1.00 4.14 H new ATOM 0 HB2 ARG A 49 -10.071 9.194 -4.179 1.00 61.22 H new ATOM 0 HB3 ARG A 49 -10.152 7.784 -3.143 1.00 61.22 H new ATOM 0 HG2 ARG A 49 -8.252 8.736 -1.786 1.00 72.14 H new ATOM 0 HG3 ARG A 49 -8.319 10.181 -2.775 1.00 72.14 H new ATOM 0 HD2 ARG A 49 -10.732 10.469 -2.112 1.00 75.02 H new ATOM 0 HD3 ARG A 49 -10.572 9.087 -1.046 1.00 75.02 H new ATOM 0 HE ARG A 49 -8.642 11.308 -0.644 1.00 12.11 H new ATOM 0 HH11 ARG A 49 -11.584 9.637 0.393 1.00 74.31 H new ATOM 0 HH12 ARG A 49 -11.586 10.396 1.988 1.00 74.31 H new ATOM 0 HH21 ARG A 49 -8.666 12.275 1.405 1.00 4.14 H new ATOM 0 HH22 ARG A 49 -9.946 11.879 2.557 1.00 4.14 H new ATOM 824 N GLN A 50 -6.348 9.169 -4.355 1.00 11.35 N ATOM 825 CA GLN A 50 -5.367 10.103 -4.870 1.00 12.42 C ATOM 826 C GLN A 50 -3.964 9.692 -4.444 1.00 35.35 C ATOM 827 O GLN A 50 -3.455 10.149 -3.421 1.00 43.03 O ATOM 828 CB GLN A 50 -5.661 11.522 -4.384 1.00 74.44 C ATOM 829 CG GLN A 50 -4.755 12.576 -4.994 1.00 73.45 C ATOM 830 CD GLN A 50 -4.928 12.690 -6.496 1.00 33.23 C ATOM 831 OE1 GLN A 50 -5.762 13.456 -6.975 1.00 61.52 O ATOM 832 NE2 GLN A 50 -4.134 11.941 -7.248 1.00 50.15 N ATOM 0 H GLN A 50 -6.096 8.743 -3.463 1.00 11.35 H new ATOM 0 HA GLN A 50 -5.426 10.087 -5.958 1.00 12.42 H new ATOM 0 HB2 GLN A 50 -6.697 11.768 -4.615 1.00 74.44 H new ATOM 0 HB3 GLN A 50 -5.561 11.553 -3.299 1.00 74.44 H new ATOM 0 HG2 GLN A 50 -4.964 13.541 -4.533 1.00 73.45 H new ATOM 0 HG3 GLN A 50 -3.717 12.333 -4.768 1.00 73.45 H new ATOM 0 HE21 GLN A 50 -3.455 11.318 -6.810 1.00 50.15 H new ATOM 0 HE22 GLN A 50 -4.202 11.987 -8.265 1.00 50.15 H new ATOM 841 N LEU A 51 -3.356 8.807 -5.214 1.00 32.31 N ATOM 842 CA LEU A 51 -1.984 8.409 -4.956 1.00 3.42 C ATOM 843 C LEU A 51 -1.034 9.285 -5.765 1.00 63.43 C ATOM 844 O LEU A 51 -1.446 9.945 -6.721 1.00 24.30 O ATOM 845 CB LEU A 51 -1.764 6.932 -5.295 1.00 11.23 C ATOM 846 CG LEU A 51 -0.452 6.343 -4.767 1.00 54.13 C ATOM 847 CD1 LEU A 51 -0.498 6.203 -3.252 1.00 41.32 C ATOM 848 CD2 LEU A 51 -0.149 5.008 -5.427 1.00 3.35 C ATOM 0 H LEU A 51 -3.788 8.353 -6.019 1.00 32.31 H new ATOM 0 HA LEU A 51 -1.780 8.541 -3.893 1.00 3.42 H new ATOM 0 HB2 LEU A 51 -2.595 6.353 -4.892 1.00 11.23 H new ATOM 0 HB3 LEU A 51 -1.790 6.814 -6.378 1.00 11.23 H new ATOM 0 HG LEU A 51 0.355 7.031 -5.021 1.00 54.13 H new ATOM 0 HD11 LEU A 51 0.443 5.783 -2.897 1.00 41.32 H new ATOM 0 HD12 LEU A 51 -0.651 7.183 -2.801 1.00 41.32 H new ATOM 0 HD13 LEU A 51 -1.319 5.542 -2.972 1.00 41.32 H new ATOM 0 HD21 LEU A 51 0.788 4.612 -5.034 1.00 3.35 H new ATOM 0 HD22 LEU A 51 -0.956 4.306 -5.216 1.00 3.35 H new ATOM 0 HD23 LEU A 51 -0.061 5.147 -6.505 1.00 3.35 H new ATOM 860 N LYS A 52 0.226 9.302 -5.367 1.00 32.32 N ATOM 861 CA LYS A 52 1.235 10.113 -6.028 1.00 24.34 C ATOM 862 C LYS A 52 2.318 9.226 -6.632 1.00 44.01 C ATOM 863 O LYS A 52 2.276 8.004 -6.484 1.00 21.35 O ATOM 864 CB LYS A 52 1.839 11.107 -5.035 1.00 0.14 C ATOM 865 CG LYS A 52 0.848 12.165 -4.569 1.00 61.21 C ATOM 866 CD LYS A 52 1.396 12.989 -3.417 1.00 60.13 C ATOM 867 CE LYS A 52 0.451 14.122 -3.050 1.00 30.41 C ATOM 868 NZ LYS A 52 0.889 14.839 -1.826 1.00 35.14 N ATOM 0 H LYS A 52 0.578 8.757 -4.580 1.00 32.32 H new ATOM 0 HA LYS A 52 0.765 10.673 -6.837 1.00 24.34 H new ATOM 0 HB2 LYS A 52 2.214 10.563 -4.168 1.00 0.14 H new ATOM 0 HB3 LYS A 52 2.695 11.598 -5.498 1.00 0.14 H new ATOM 0 HG2 LYS A 52 0.603 12.824 -5.402 1.00 61.21 H new ATOM 0 HG3 LYS A 52 -0.079 11.682 -4.261 1.00 61.21 H new ATOM 0 HD2 LYS A 52 1.552 12.347 -2.550 1.00 60.13 H new ATOM 0 HD3 LYS A 52 2.369 13.398 -3.690 1.00 60.13 H new ATOM 0 HE2 LYS A 52 0.390 14.826 -3.880 1.00 30.41 H new ATOM 0 HE3 LYS A 52 -0.551 13.722 -2.897 1.00 30.41 H new ATOM 0 HZ1 LYS A 52 0.217 15.603 -1.612 1.00 35.14 H new ATOM 0 HZ2 LYS A 52 0.923 14.174 -1.027 1.00 35.14 H new ATOM 0 HZ3 LYS A 52 1.835 15.243 -1.980 1.00 35.14 H new ATOM 882 N THR A 53 3.266 9.842 -7.330 1.00 10.51 N ATOM 883 CA THR A 53 4.353 9.115 -7.983 1.00 74.12 C ATOM 884 C THR A 53 5.333 8.518 -6.957 1.00 64.30 C ATOM 885 O THR A 53 5.037 8.448 -5.761 1.00 25.10 O ATOM 886 CB THR A 53 5.119 10.055 -8.935 1.00 73.14 C ATOM 887 OG1 THR A 53 4.264 11.134 -9.333 1.00 54.14 O ATOM 888 CG2 THR A 53 5.604 9.307 -10.171 1.00 54.42 C ATOM 0 H THR A 53 3.305 10.853 -7.460 1.00 10.51 H new ATOM 0 HA THR A 53 3.909 8.295 -8.548 1.00 74.12 H new ATOM 0 HB THR A 53 5.989 10.445 -8.406 1.00 73.14 H new ATOM 0 HG1 THR A 53 4.752 11.732 -9.937 1.00 54.14 H new ATOM 0 HG21 THR A 53 6.141 9.994 -10.825 1.00 54.42 H new ATOM 0 HG22 THR A 53 6.270 8.499 -9.869 1.00 54.42 H new ATOM 0 HG23 THR A 53 4.749 8.892 -10.704 1.00 54.42 H new ATOM 896 N SER A 54 6.515 8.119 -7.429 1.00 65.43 N ATOM 897 CA SER A 54 7.520 7.449 -6.599 1.00 21.44 C ATOM 898 C SER A 54 8.096 8.362 -5.506 1.00 72.44 C ATOM 899 O SER A 54 9.072 8.007 -4.849 1.00 24.31 O ATOM 900 CB SER A 54 8.649 6.932 -7.492 1.00 64.32 C ATOM 901 OG SER A 54 8.132 6.154 -8.558 1.00 32.42 O ATOM 0 H SER A 54 6.804 8.251 -8.398 1.00 65.43 H new ATOM 0 HA SER A 54 7.025 6.622 -6.090 1.00 21.44 H new ATOM 0 HB2 SER A 54 9.217 7.772 -7.891 1.00 64.32 H new ATOM 0 HB3 SER A 54 9.341 6.332 -6.901 1.00 64.32 H new ATOM 0 HG SER A 54 8.796 6.103 -9.277 1.00 32.42 H new ATOM 907 N HIS A 55 7.482 9.520 -5.295 1.00 54.52 N ATOM 908 CA HIS A 55 7.890 10.415 -4.217 1.00 23.23 C ATOM 909 C HIS A 55 7.614 9.746 -2.877 1.00 24.25 C ATOM 910 O HIS A 55 8.299 9.996 -1.887 1.00 32.24 O ATOM 911 CB HIS A 55 7.142 11.752 -4.287 1.00 54.23 C ATOM 912 CG HIS A 55 7.317 12.491 -5.574 1.00 63.15 C ATOM 913 ND1 HIS A 55 8.283 13.451 -5.775 1.00 32.31 N ATOM 914 CD2 HIS A 55 6.624 12.411 -6.730 1.00 42.11 C ATOM 915 CE1 HIS A 55 8.173 13.930 -7.000 1.00 73.12 C ATOM 916 NE2 HIS A 55 7.172 13.315 -7.602 1.00 31.25 N ATOM 0 H HIS A 55 6.701 9.862 -5.855 1.00 54.52 H new ATOM 0 HA HIS A 55 8.956 10.618 -4.324 1.00 23.23 H new ATOM 0 HB2 HIS A 55 6.079 11.568 -4.129 1.00 54.23 H new ATOM 0 HB3 HIS A 55 7.481 12.387 -3.469 1.00 54.23 H new ATOM 0 HD2 HIS A 55 5.790 11.755 -6.931 1.00 42.11 H new ATOM 0 HE1 HIS A 55 8.797 14.696 -7.436 1.00 73.12 H new ATOM 0 HE2 HIS A 55 6.858 13.485 -8.558 1.00 31.25 H new ATOM 925 N LEU A 56 6.607 8.877 -2.873 1.00 33.02 N ATOM 926 CA LEU A 56 6.209 8.144 -1.675 1.00 33.23 C ATOM 927 C LEU A 56 7.218 7.046 -1.339 1.00 71.54 C ATOM 928 O LEU A 56 7.205 6.492 -0.240 1.00 33.34 O ATOM 929 CB LEU A 56 4.795 7.564 -1.849 1.00 44.21 C ATOM 930 CG LEU A 56 4.605 6.563 -3.000 1.00 54.24 C ATOM 931 CD1 LEU A 56 5.015 5.155 -2.584 1.00 70.33 C ATOM 932 CD2 LEU A 56 3.163 6.575 -3.480 1.00 14.14 C ATOM 0 H LEU A 56 6.046 8.662 -3.697 1.00 33.02 H new ATOM 0 HA LEU A 56 6.193 8.841 -0.837 1.00 33.23 H new ATOM 0 HB2 LEU A 56 4.510 7.073 -0.918 1.00 44.21 H new ATOM 0 HB3 LEU A 56 4.102 8.392 -1.998 1.00 44.21 H new ATOM 0 HG LEU A 56 5.252 6.871 -3.821 1.00 54.24 H new ATOM 0 HD11 LEU A 56 4.869 4.471 -3.420 1.00 70.33 H new ATOM 0 HD12 LEU A 56 6.066 5.153 -2.293 1.00 70.33 H new ATOM 0 HD13 LEU A 56 4.405 4.833 -1.741 1.00 70.33 H new ATOM 0 HD21 LEU A 56 3.045 5.861 -4.295 1.00 14.14 H new ATOM 0 HD22 LEU A 56 2.503 6.299 -2.657 1.00 14.14 H new ATOM 0 HD23 LEU A 56 2.905 7.574 -3.832 1.00 14.14 H new ATOM 944 N LEU A 57 8.080 6.725 -2.298 1.00 11.30 N ATOM 945 CA LEU A 57 9.084 5.689 -2.101 1.00 21.50 C ATOM 946 C LEU A 57 10.194 6.185 -1.171 1.00 31.24 C ATOM 947 O LEU A 57 10.899 5.387 -0.553 1.00 20.34 O ATOM 948 CB LEU A 57 9.672 5.255 -3.450 1.00 23.24 C ATOM 949 CG LEU A 57 10.727 4.149 -3.386 1.00 43.54 C ATOM 950 CD1 LEU A 57 10.141 2.880 -2.786 1.00 50.44 C ATOM 951 CD2 LEU A 57 11.287 3.876 -4.774 1.00 52.14 C ATOM 0 H LEU A 57 8.103 7.167 -3.217 1.00 11.30 H new ATOM 0 HA LEU A 57 8.605 4.828 -1.635 1.00 21.50 H new ATOM 0 HB2 LEU A 57 8.857 4.918 -4.090 1.00 23.24 H new ATOM 0 HB3 LEU A 57 10.115 6.127 -3.931 1.00 23.24 H new ATOM 0 HG LEU A 57 11.540 4.484 -2.742 1.00 43.54 H new ATOM 0 HD11 LEU A 57 10.908 2.107 -2.750 1.00 50.44 H new ATOM 0 HD12 LEU A 57 9.785 3.086 -1.776 1.00 50.44 H new ATOM 0 HD13 LEU A 57 9.309 2.537 -3.401 1.00 50.44 H new ATOM 0 HD21 LEU A 57 12.037 3.087 -4.715 1.00 52.14 H new ATOM 0 HD22 LEU A 57 10.480 3.561 -5.436 1.00 52.14 H new ATOM 0 HD23 LEU A 57 11.746 4.784 -5.166 1.00 52.14 H new ATOM 963 N ALA A 58 10.329 7.503 -1.062 1.00 43.04 N ATOM 964 CA ALA A 58 11.353 8.107 -0.213 1.00 60.05 C ATOM 965 C ALA A 58 11.207 7.682 1.258 1.00 41.34 C ATOM 966 O ALA A 58 12.185 7.247 1.870 1.00 4.12 O ATOM 967 CB ALA A 58 11.340 9.626 -0.353 1.00 14.24 C ATOM 0 H ALA A 58 9.740 8.176 -1.553 1.00 43.04 H new ATOM 0 HA ALA A 58 12.321 7.739 -0.554 1.00 60.05 H new ATOM 0 HB1 ALA A 58 12.110 10.057 0.287 1.00 14.24 H new ATOM 0 HB2 ALA A 58 11.537 9.897 -1.390 1.00 14.24 H new ATOM 0 HB3 ALA A 58 10.364 10.010 -0.056 1.00 14.24 H new ATOM 973 N PRO A 59 10.002 7.811 1.861 1.00 64.10 N ATOM 974 CA PRO A 59 9.747 7.307 3.217 1.00 62.40 C ATOM 975 C PRO A 59 10.034 5.816 3.358 1.00 73.21 C ATOM 976 O PRO A 59 10.429 5.344 4.422 1.00 52.34 O ATOM 977 CB PRO A 59 8.258 7.562 3.428 1.00 35.41 C ATOM 978 CG PRO A 59 7.924 8.675 2.506 1.00 4.21 C ATOM 979 CD PRO A 59 8.816 8.498 1.312 1.00 14.53 C ATOM 0 HA PRO A 59 10.393 7.798 3.945 1.00 62.40 H new ATOM 0 HB2 PRO A 59 7.670 6.673 3.202 1.00 35.41 H new ATOM 0 HB3 PRO A 59 8.046 7.830 4.463 1.00 35.41 H new ATOM 0 HG2 PRO A 59 6.873 8.642 2.218 1.00 4.21 H new ATOM 0 HG3 PRO A 59 8.094 9.641 2.981 1.00 4.21 H new ATOM 0 HD2 PRO A 59 8.333 7.905 0.536 1.00 14.53 H new ATOM 0 HD3 PRO A 59 9.080 9.456 0.863 1.00 14.53 H new ATOM 987 N ILE A 60 9.828 5.074 2.282 1.00 42.41 N ATOM 988 CA ILE A 60 10.086 3.642 2.290 1.00 4.43 C ATOM 989 C ILE A 60 11.583 3.386 2.399 1.00 50.14 C ATOM 990 O ILE A 60 12.012 2.390 2.970 1.00 4.21 O ATOM 991 CB ILE A 60 9.530 2.952 1.022 1.00 13.14 C ATOM 992 CG1 ILE A 60 8.042 3.276 0.844 1.00 70.23 C ATOM 993 CG2 ILE A 60 9.739 1.442 1.085 1.00 60.24 C ATOM 994 CD1 ILE A 60 7.175 2.860 2.016 1.00 54.01 C ATOM 0 H ILE A 60 9.484 5.438 1.393 1.00 42.41 H new ATOM 0 HA ILE A 60 9.574 3.218 3.154 1.00 4.43 H new ATOM 0 HB ILE A 60 10.078 3.336 0.161 1.00 13.14 H new ATOM 0 HG12 ILE A 60 7.931 4.349 0.686 1.00 70.23 H new ATOM 0 HG13 ILE A 60 7.678 2.782 -0.057 1.00 70.23 H new ATOM 0 HG21 ILE A 60 9.339 0.981 0.182 1.00 60.24 H new ATOM 0 HG22 ILE A 60 10.804 1.225 1.162 1.00 60.24 H new ATOM 0 HG23 ILE A 60 9.223 1.039 1.957 1.00 60.24 H new ATOM 0 HD11 ILE A 60 6.137 3.124 1.812 1.00 54.01 H new ATOM 0 HD12 ILE A 60 7.254 1.783 2.163 1.00 54.01 H new ATOM 0 HD13 ILE A 60 7.510 3.374 2.917 1.00 54.01 H new ATOM 1006 N LYS A 61 12.376 4.322 1.893 1.00 5.32 N ATOM 1007 CA LYS A 61 13.832 4.176 1.897 1.00 71.41 C ATOM 1008 C LYS A 61 14.369 4.262 3.312 1.00 1.32 C ATOM 1009 O LYS A 61 15.434 3.734 3.620 1.00 20.10 O ATOM 1010 CB LYS A 61 14.509 5.228 1.015 1.00 44.40 C ATOM 1011 CG LYS A 61 14.039 5.194 -0.425 1.00 73.01 C ATOM 1012 CD LYS A 61 14.035 3.777 -0.969 1.00 22.04 C ATOM 1013 CE LYS A 61 15.262 3.473 -1.821 1.00 23.14 C ATOM 1014 NZ LYS A 61 16.520 3.445 -1.025 1.00 30.41 N ATOM 0 H LYS A 61 12.040 5.189 1.475 1.00 5.32 H new ATOM 0 HA LYS A 61 14.063 3.194 1.484 1.00 71.41 H new ATOM 0 HB2 LYS A 61 14.317 6.218 1.429 1.00 44.40 H new ATOM 0 HB3 LYS A 61 15.588 5.075 1.042 1.00 44.40 H new ATOM 0 HG2 LYS A 61 13.036 5.615 -0.493 1.00 73.01 H new ATOM 0 HG3 LYS A 61 14.689 5.819 -1.037 1.00 73.01 H new ATOM 0 HD2 LYS A 61 13.991 3.073 -0.138 1.00 22.04 H new ATOM 0 HD3 LYS A 61 13.136 3.623 -1.566 1.00 22.04 H new ATOM 0 HE2 LYS A 61 15.127 2.511 -2.315 1.00 23.14 H new ATOM 0 HE3 LYS A 61 15.350 4.224 -2.606 1.00 23.14 H new ATOM 0 HZ1 LYS A 61 17.234 2.876 -1.524 1.00 30.41 H new ATOM 0 HZ2 LYS A 61 16.875 4.415 -0.902 1.00 30.41 H new ATOM 0 HZ3 LYS A 61 16.332 3.025 -0.093 1.00 30.41 H new ATOM 1028 N GLU A 62 13.620 4.937 4.167 1.00 74.20 N ATOM 1029 CA GLU A 62 13.984 5.065 5.570 1.00 24.55 C ATOM 1030 C GLU A 62 14.108 3.679 6.207 1.00 71.14 C ATOM 1031 O GLU A 62 15.112 3.361 6.843 1.00 74.03 O ATOM 1032 CB GLU A 62 12.936 5.906 6.305 1.00 65.51 C ATOM 1033 CG GLU A 62 12.681 7.256 5.653 1.00 34.53 C ATOM 1034 CD GLU A 62 11.636 8.084 6.375 1.00 51.21 C ATOM 1035 OE1 GLU A 62 10.702 7.500 6.964 1.00 20.15 O ATOM 1036 OE2 GLU A 62 11.732 9.329 6.342 1.00 72.22 O ATOM 0 H GLU A 62 12.751 5.408 3.913 1.00 74.20 H new ATOM 0 HA GLU A 62 14.948 5.567 5.647 1.00 24.55 H new ATOM 0 HB2 GLU A 62 12.000 5.349 6.349 1.00 65.51 H new ATOM 0 HB3 GLU A 62 13.262 6.063 7.333 1.00 65.51 H new ATOM 0 HG2 GLU A 62 13.616 7.816 5.616 1.00 34.53 H new ATOM 0 HG3 GLU A 62 12.362 7.099 4.623 1.00 34.53 H new ATOM 1043 N VAL A 63 13.093 2.845 6.009 1.00 60.43 N ATOM 1044 CA VAL A 63 13.130 1.476 6.509 1.00 54.13 C ATOM 1045 C VAL A 63 13.986 0.592 5.589 1.00 23.02 C ATOM 1046 O VAL A 63 14.671 -0.325 6.047 1.00 64.44 O ATOM 1047 CB VAL A 63 11.702 0.883 6.666 1.00 22.12 C ATOM 1048 CG1 VAL A 63 11.033 0.651 5.321 1.00 3.33 C ATOM 1049 CG2 VAL A 63 11.734 -0.401 7.483 1.00 60.02 C ATOM 0 H VAL A 63 12.239 3.091 5.509 1.00 60.43 H new ATOM 0 HA VAL A 63 13.586 1.497 7.499 1.00 54.13 H new ATOM 0 HB VAL A 63 11.104 1.619 7.204 1.00 22.12 H new ATOM 0 HG11 VAL A 63 10.037 0.236 5.477 1.00 3.33 H new ATOM 0 HG12 VAL A 63 10.952 1.598 4.787 1.00 3.33 H new ATOM 0 HG13 VAL A 63 11.629 -0.047 4.734 1.00 3.33 H new ATOM 0 HG21 VAL A 63 10.723 -0.797 7.579 1.00 60.02 H new ATOM 0 HG22 VAL A 63 12.365 -1.135 6.982 1.00 60.02 H new ATOM 0 HG23 VAL A 63 12.137 -0.192 8.474 1.00 60.02 H new ATOM 1059 N ASP A 64 13.956 0.904 4.293 1.00 14.42 N ATOM 1060 CA ASP A 64 14.700 0.164 3.273 1.00 65.40 C ATOM 1061 C ASP A 64 16.201 0.159 3.554 1.00 62.24 C ATOM 1062 O ASP A 64 16.805 -0.899 3.737 1.00 35.31 O ATOM 1063 CB ASP A 64 14.410 0.782 1.893 1.00 51.42 C ATOM 1064 CG ASP A 64 15.551 0.652 0.898 1.00 55.34 C ATOM 1065 OD1 ASP A 64 15.599 -0.352 0.169 1.00 50.40 O ATOM 1066 OD2 ASP A 64 16.388 1.586 0.829 1.00 10.25 O ATOM 0 H ASP A 64 13.412 1.682 3.919 1.00 14.42 H new ATOM 0 HA ASP A 64 14.371 -0.875 3.291 1.00 65.40 H new ATOM 0 HB2 ASP A 64 13.523 0.307 1.474 1.00 51.42 H new ATOM 0 HB3 ASP A 64 14.175 1.838 2.023 1.00 51.42 H new ATOM 1071 N THR A 65 16.783 1.343 3.643 1.00 43.44 N ATOM 1072 CA THR A 65 18.224 1.479 3.760 1.00 75.31 C ATOM 1073 C THR A 65 18.712 1.036 5.140 1.00 60.10 C ATOM 1074 O THR A 65 19.906 0.822 5.353 1.00 44.03 O ATOM 1075 CB THR A 65 18.647 2.931 3.470 1.00 53.34 C ATOM 1076 OG1 THR A 65 17.982 3.385 2.281 1.00 24.20 O ATOM 1077 CG2 THR A 65 20.153 3.045 3.279 1.00 35.02 C ATOM 0 H THR A 65 16.276 2.228 3.636 1.00 43.44 H new ATOM 0 HA THR A 65 18.689 0.826 3.021 1.00 75.31 H new ATOM 0 HB THR A 65 18.366 3.547 4.324 1.00 53.34 H new ATOM 0 HG1 THR A 65 17.590 2.619 1.813 1.00 24.20 H new ATOM 0 HG21 THR A 65 20.416 4.083 3.076 1.00 35.02 H new ATOM 0 HG22 THR A 65 20.661 2.712 4.184 1.00 35.02 H new ATOM 0 HG23 THR A 65 20.462 2.422 2.440 1.00 35.02 H new ATOM 1085 N SER A 66 17.776 0.861 6.066 1.00 74.44 N ATOM 1086 CA SER A 66 18.101 0.365 7.396 1.00 21.41 C ATOM 1087 C SER A 66 18.447 -1.124 7.355 1.00 35.14 C ATOM 1088 O SER A 66 19.032 -1.664 8.295 1.00 21.21 O ATOM 1089 CB SER A 66 16.931 0.607 8.351 1.00 71.10 C ATOM 1090 OG SER A 66 16.668 1.992 8.499 1.00 2.12 O ATOM 0 H SER A 66 16.786 1.056 5.919 1.00 74.44 H new ATOM 0 HA SER A 66 18.974 0.909 7.758 1.00 21.41 H new ATOM 0 HB2 SER A 66 16.041 0.103 7.974 1.00 71.10 H new ATOM 0 HB3 SER A 66 17.156 0.171 9.324 1.00 71.10 H new ATOM 0 HG SER A 66 16.195 2.322 7.707 1.00 2.12 H new ATOM 1096 N GLY A 67 18.097 -1.783 6.256 1.00 0.31 N ATOM 1097 CA GLY A 67 18.380 -3.198 6.123 1.00 1.43 C ATOM 1098 C GLY A 67 17.145 -4.002 5.783 1.00 72.24 C ATOM 1099 O GLY A 67 17.214 -5.211 5.572 1.00 65.43 O ATOM 0 H GLY A 67 17.623 -1.363 5.457 1.00 0.31 H new ATOM 0 HA2 GLY A 67 19.131 -3.344 5.347 1.00 1.43 H new ATOM 0 HA3 GLY A 67 18.808 -3.570 7.054 1.00 1.43 H new ATOM 1103 N LYS A 68 16.009 -3.329 5.723 1.00 62.44 N ATOM 1104 CA LYS A 68 14.756 -3.972 5.368 1.00 71.31 C ATOM 1105 C LYS A 68 14.493 -3.822 3.876 1.00 31.52 C ATOM 1106 O LYS A 68 13.371 -4.007 3.414 1.00 60.14 O ATOM 1107 CB LYS A 68 13.615 -3.333 6.149 1.00 61.11 C ATOM 1108 CG LYS A 68 12.595 -4.332 6.646 1.00 34.01 C ATOM 1109 CD LYS A 68 12.626 -4.434 8.162 1.00 64.33 C ATOM 1110 CE LYS A 68 14.018 -4.773 8.679 1.00 35.01 C ATOM 1111 NZ LYS A 68 14.049 -4.877 10.162 1.00 21.34 N ATOM 0 H LYS A 68 15.929 -2.331 5.917 1.00 62.44 H new ATOM 0 HA LYS A 68 14.821 -5.032 5.614 1.00 71.31 H new ATOM 0 HB2 LYS A 68 14.026 -2.791 7.000 1.00 61.11 H new ATOM 0 HB3 LYS A 68 13.116 -2.600 5.515 1.00 61.11 H new ATOM 0 HG2 LYS A 68 11.599 -4.034 6.318 1.00 34.01 H new ATOM 0 HG3 LYS A 68 12.795 -5.310 6.208 1.00 34.01 H new ATOM 0 HD2 LYS A 68 12.297 -3.490 8.596 1.00 64.33 H new ATOM 0 HD3 LYS A 68 11.921 -5.198 8.489 1.00 64.33 H new ATOM 0 HE2 LYS A 68 14.348 -5.716 8.242 1.00 35.01 H new ATOM 0 HE3 LYS A 68 14.722 -4.007 8.354 1.00 35.01 H new ATOM 0 HZ1 LYS A 68 15.014 -5.109 10.474 1.00 21.34 H new ATOM 0 HZ2 LYS A 68 13.759 -3.970 10.580 1.00 21.34 H new ATOM 0 HZ3 LYS A 68 13.396 -5.625 10.471 1.00 21.34 H new ATOM 1125 N HIS A 69 15.552 -3.518 3.141 1.00 1.34 N ATOM 1126 CA HIS A 69 15.451 -3.141 1.729 1.00 4.24 C ATOM 1127 C HIS A 69 14.703 -4.193 0.902 1.00 30.21 C ATOM 1128 O HIS A 69 13.868 -3.854 0.068 1.00 31.12 O ATOM 1129 CB HIS A 69 16.856 -2.867 1.140 1.00 62.44 C ATOM 1130 CG HIS A 69 17.537 -4.048 0.506 1.00 64.41 C ATOM 1131 ND1 HIS A 69 18.359 -4.916 1.191 1.00 21.14 N ATOM 1132 CD2 HIS A 69 17.487 -4.510 -0.766 1.00 73.15 C ATOM 1133 CE1 HIS A 69 18.785 -5.855 0.367 1.00 23.14 C ATOM 1134 NE2 HIS A 69 18.267 -5.638 -0.828 1.00 13.15 N ATOM 0 H HIS A 69 16.506 -3.524 3.501 1.00 1.34 H new ATOM 0 HA HIS A 69 14.866 -2.223 1.676 1.00 4.24 H new ATOM 0 HB2 HIS A 69 16.770 -2.077 0.394 1.00 62.44 H new ATOM 0 HB3 HIS A 69 17.496 -2.486 1.936 1.00 62.44 H new ATOM 0 HD2 HIS A 69 16.934 -4.071 -1.583 1.00 73.15 H new ATOM 0 HE1 HIS A 69 19.448 -6.667 0.627 1.00 23.14 H new ATOM 0 HE2 HIS A 69 18.420 -6.212 -1.657 1.00 13.15 H new ATOM 1143 N ASP A 70 14.983 -5.467 1.153 1.00 44.03 N ATOM 1144 CA ASP A 70 14.424 -6.539 0.337 1.00 45.02 C ATOM 1145 C ASP A 70 12.956 -6.751 0.671 1.00 74.34 C ATOM 1146 O ASP A 70 12.129 -6.973 -0.216 1.00 63.21 O ATOM 1147 CB ASP A 70 15.215 -7.833 0.542 1.00 75.45 C ATOM 1148 CG ASP A 70 14.748 -8.944 -0.373 1.00 4.52 C ATOM 1149 OD1 ASP A 70 14.958 -8.837 -1.598 1.00 72.34 O ATOM 1150 OD2 ASP A 70 14.186 -9.939 0.129 1.00 72.04 O ATOM 0 H ASP A 70 15.590 -5.782 1.910 1.00 44.03 H new ATOM 0 HA ASP A 70 14.499 -6.252 -0.712 1.00 45.02 H new ATOM 0 HB2 ASP A 70 16.273 -7.641 0.365 1.00 75.45 H new ATOM 0 HB3 ASP A 70 15.118 -8.155 1.579 1.00 75.45 H new ATOM 1155 N VAL A 71 12.639 -6.651 1.952 1.00 14.13 N ATOM 1156 CA VAL A 71 11.273 -6.818 2.420 1.00 23.20 C ATOM 1157 C VAL A 71 10.428 -5.607 2.040 1.00 41.03 C ATOM 1158 O VAL A 71 9.344 -5.746 1.474 1.00 2.33 O ATOM 1159 CB VAL A 71 11.223 -7.010 3.953 1.00 74.21 C ATOM 1160 CG1 VAL A 71 9.807 -7.314 4.419 1.00 73.03 C ATOM 1161 CG2 VAL A 71 12.185 -8.106 4.391 1.00 53.31 C ATOM 0 H VAL A 71 13.314 -6.454 2.690 1.00 14.13 H new ATOM 0 HA VAL A 71 10.871 -7.711 1.941 1.00 23.20 H new ATOM 0 HB VAL A 71 11.536 -6.076 4.420 1.00 74.21 H new ATOM 0 HG11 VAL A 71 9.800 -7.445 5.501 1.00 73.03 H new ATOM 0 HG12 VAL A 71 9.150 -6.487 4.149 1.00 73.03 H new ATOM 0 HG13 VAL A 71 9.455 -8.228 3.941 1.00 73.03 H new ATOM 0 HG21 VAL A 71 12.133 -8.224 5.473 1.00 53.31 H new ATOM 0 HG22 VAL A 71 11.910 -9.045 3.910 1.00 53.31 H new ATOM 0 HG23 VAL A 71 13.201 -7.835 4.104 1.00 53.31 H new ATOM 1171 N ALA A 72 10.950 -4.419 2.330 1.00 22.54 N ATOM 1172 CA ALA A 72 10.235 -3.174 2.079 1.00 3.54 C ATOM 1173 C ALA A 72 9.907 -3.013 0.600 1.00 62.35 C ATOM 1174 O ALA A 72 8.786 -2.663 0.245 1.00 63.03 O ATOM 1175 CB ALA A 72 11.048 -1.987 2.574 1.00 34.04 C ATOM 0 H ALA A 72 11.874 -4.293 2.743 1.00 22.54 H new ATOM 0 HA ALA A 72 9.295 -3.211 2.629 1.00 3.54 H new ATOM 0 HB1 ALA A 72 10.501 -1.065 2.379 1.00 34.04 H new ATOM 0 HB2 ALA A 72 11.222 -2.087 3.645 1.00 34.04 H new ATOM 0 HB3 ALA A 72 12.005 -1.958 2.052 1.00 34.04 H new ATOM 1181 N GLN A 73 10.885 -3.287 -0.255 1.00 53.20 N ATOM 1182 CA GLN A 73 10.711 -3.151 -1.697 1.00 22.11 C ATOM 1183 C GLN A 73 9.581 -4.036 -2.194 1.00 74.11 C ATOM 1184 O GLN A 73 8.733 -3.612 -2.979 1.00 70.32 O ATOM 1185 CB GLN A 73 11.994 -3.537 -2.421 1.00 22.31 C ATOM 1186 CG GLN A 73 12.105 -2.908 -3.794 1.00 71.11 C ATOM 1187 CD GLN A 73 13.532 -2.815 -4.295 1.00 33.44 C ATOM 1188 OE1 GLN A 73 14.369 -3.661 -3.993 1.00 33.24 O ATOM 1189 NE2 GLN A 73 13.814 -1.781 -5.073 1.00 65.34 N ATOM 0 H GLN A 73 11.812 -3.606 0.027 1.00 53.20 H new ATOM 0 HA GLN A 73 10.467 -2.109 -1.905 1.00 22.11 H new ATOM 0 HB2 GLN A 73 12.851 -3.236 -1.818 1.00 22.31 H new ATOM 0 HB3 GLN A 73 12.038 -4.622 -2.519 1.00 22.31 H new ATOM 0 HG2 GLN A 73 11.516 -3.491 -4.502 1.00 71.11 H new ATOM 0 HG3 GLN A 73 11.671 -1.908 -3.765 1.00 71.11 H new ATOM 0 HE21 GLN A 73 13.089 -1.101 -5.300 1.00 65.34 H new ATOM 0 HE22 GLN A 73 14.756 -1.665 -5.446 1.00 65.34 H new ATOM 1198 N ARG A 74 9.594 -5.272 -1.740 1.00 42.45 N ATOM 1199 CA ARG A 74 8.572 -6.238 -2.118 1.00 33.01 C ATOM 1200 C ARG A 74 7.192 -5.790 -1.628 1.00 64.34 C ATOM 1201 O ARG A 74 6.194 -5.954 -2.330 1.00 45.50 O ATOM 1202 CB ARG A 74 8.908 -7.625 -1.561 1.00 21.24 C ATOM 1203 CG ARG A 74 8.045 -8.736 -2.142 1.00 40.40 C ATOM 1204 CD ARG A 74 8.258 -8.870 -3.642 1.00 61.13 C ATOM 1205 NE ARG A 74 7.341 -9.834 -4.252 1.00 64.01 N ATOM 1206 CZ ARG A 74 6.956 -9.785 -5.527 1.00 64.32 C ATOM 1207 NH1 ARG A 74 7.429 -8.843 -6.331 1.00 14.43 N ATOM 1208 NH2 ARG A 74 6.101 -10.684 -6.002 1.00 22.12 N ATOM 0 H ARG A 74 10.304 -5.637 -1.105 1.00 42.45 H new ATOM 0 HA ARG A 74 8.549 -6.296 -3.206 1.00 33.01 H new ATOM 0 HB2 ARG A 74 9.956 -7.846 -1.764 1.00 21.24 H new ATOM 0 HB3 ARG A 74 8.789 -7.612 -0.478 1.00 21.24 H new ATOM 0 HG2 ARG A 74 8.284 -9.680 -1.652 1.00 40.40 H new ATOM 0 HG3 ARG A 74 6.995 -8.528 -1.938 1.00 40.40 H new ATOM 0 HD2 ARG A 74 8.124 -7.897 -4.114 1.00 61.13 H new ATOM 0 HD3 ARG A 74 9.286 -9.178 -3.834 1.00 61.13 H new ATOM 0 HE ARG A 74 6.976 -10.586 -3.668 1.00 64.01 H new ATOM 0 HH11 ARG A 74 8.090 -8.153 -5.974 1.00 14.43 H new ATOM 0 HH12 ARG A 74 7.132 -8.809 -7.306 1.00 14.43 H new ATOM 0 HH21 ARG A 74 5.737 -11.415 -5.390 1.00 22.12 H new ATOM 0 HH22 ARG A 74 5.808 -10.644 -6.978 1.00 22.12 H new ATOM 1222 N LEU A 75 7.147 -5.214 -0.431 1.00 2.51 N ATOM 1223 CA LEU A 75 5.892 -4.753 0.154 1.00 72.51 C ATOM 1224 C LEU A 75 5.386 -3.486 -0.536 1.00 12.54 C ATOM 1225 O LEU A 75 4.212 -3.396 -0.886 1.00 52.13 O ATOM 1226 CB LEU A 75 6.063 -4.499 1.655 1.00 1.03 C ATOM 1227 CG LEU A 75 6.404 -5.738 2.485 1.00 64.20 C ATOM 1228 CD1 LEU A 75 6.622 -5.357 3.940 1.00 53.22 C ATOM 1229 CD2 LEU A 75 5.301 -6.778 2.372 1.00 54.24 C ATOM 0 H LEU A 75 7.967 -5.055 0.154 1.00 2.51 H new ATOM 0 HA LEU A 75 5.151 -5.538 0.006 1.00 72.51 H new ATOM 0 HB2 LEU A 75 6.850 -3.758 1.796 1.00 1.03 H new ATOM 0 HB3 LEU A 75 5.142 -4.063 2.042 1.00 1.03 H new ATOM 0 HG LEU A 75 7.326 -6.169 2.095 1.00 64.20 H new ATOM 0 HD11 LEU A 75 6.864 -6.249 4.517 1.00 53.22 H new ATOM 0 HD12 LEU A 75 7.445 -4.645 4.010 1.00 53.22 H new ATOM 0 HD13 LEU A 75 5.714 -4.903 4.337 1.00 53.22 H new ATOM 0 HD21 LEU A 75 5.562 -7.652 2.969 1.00 54.24 H new ATOM 0 HD22 LEU A 75 4.364 -6.356 2.736 1.00 54.24 H new ATOM 0 HD23 LEU A 75 5.185 -7.073 1.329 1.00 54.24 H new ATOM 1241 N GLN A 76 6.274 -2.519 -0.740 1.00 73.43 N ATOM 1242 CA GLN A 76 5.894 -1.244 -1.347 1.00 24.14 C ATOM 1243 C GLN A 76 5.356 -1.446 -2.760 1.00 44.33 C ATOM 1244 O GLN A 76 4.404 -0.793 -3.174 1.00 1.44 O ATOM 1245 CB GLN A 76 7.082 -0.267 -1.352 1.00 5.12 C ATOM 1246 CG GLN A 76 8.302 -0.730 -2.135 1.00 43.15 C ATOM 1247 CD GLN A 76 8.278 -0.285 -3.586 1.00 32.11 C ATOM 1248 OE1 GLN A 76 7.755 0.774 -3.913 1.00 70.42 O ATOM 1249 NE2 GLN A 76 8.826 -1.104 -4.469 1.00 3.25 N ATOM 0 H GLN A 76 7.261 -2.591 -0.495 1.00 73.43 H new ATOM 0 HA GLN A 76 5.097 -0.811 -0.743 1.00 24.14 H new ATOM 0 HB2 GLN A 76 6.746 0.685 -1.764 1.00 5.12 H new ATOM 0 HB3 GLN A 76 7.382 -0.080 -0.321 1.00 5.12 H new ATOM 0 HG2 GLN A 76 9.202 -0.344 -1.657 1.00 43.15 H new ATOM 0 HG3 GLN A 76 8.362 -1.818 -2.095 1.00 43.15 H new ATOM 0 HE21 GLN A 76 9.252 -1.977 -4.159 1.00 3.25 H new ATOM 0 HE22 GLN A 76 8.822 -0.862 -5.460 1.00 3.25 H new ATOM 1258 N GLN A 77 5.960 -2.382 -3.478 1.00 10.12 N ATOM 1259 CA GLN A 77 5.562 -2.697 -4.849 1.00 3.12 C ATOM 1260 C GLN A 77 4.115 -3.192 -4.911 1.00 13.23 C ATOM 1261 O GLN A 77 3.477 -3.151 -5.967 1.00 62.33 O ATOM 1262 CB GLN A 77 6.514 -3.746 -5.437 1.00 12.01 C ATOM 1263 CG GLN A 77 6.317 -3.998 -6.926 1.00 1.02 C ATOM 1264 CD GLN A 77 5.730 -5.364 -7.220 1.00 23.03 C ATOM 1265 OE1 GLN A 77 6.459 -6.335 -7.411 1.00 64.34 O ATOM 1266 NE2 GLN A 77 4.410 -5.448 -7.264 1.00 31.30 N ATOM 0 H GLN A 77 6.737 -2.944 -3.131 1.00 10.12 H new ATOM 0 HA GLN A 77 5.622 -1.784 -5.441 1.00 3.12 H new ATOM 0 HB2 GLN A 77 7.542 -3.425 -5.266 1.00 12.01 H new ATOM 0 HB3 GLN A 77 6.380 -4.685 -4.900 1.00 12.01 H new ATOM 0 HG2 GLN A 77 5.661 -3.230 -7.336 1.00 1.02 H new ATOM 0 HG3 GLN A 77 7.276 -3.903 -7.436 1.00 1.02 H new ATOM 0 HE21 GLN A 77 3.840 -4.618 -7.100 1.00 31.30 H new ATOM 0 HE22 GLN A 77 3.962 -6.343 -7.462 1.00 31.30 H new ATOM 1275 N ARG A 78 3.592 -3.650 -3.781 1.00 52.11 N ATOM 1276 CA ARG A 78 2.229 -4.158 -3.733 1.00 74.42 C ATOM 1277 C ARG A 78 1.215 -3.058 -4.043 1.00 53.14 C ATOM 1278 O ARG A 78 0.180 -3.329 -4.650 1.00 71.33 O ATOM 1279 CB ARG A 78 1.924 -4.792 -2.375 1.00 43.35 C ATOM 1280 CG ARG A 78 2.610 -6.130 -2.151 1.00 41.22 C ATOM 1281 CD ARG A 78 2.197 -7.144 -3.207 1.00 62.44 C ATOM 1282 NE ARG A 78 2.707 -8.484 -2.919 1.00 23.03 N ATOM 1283 CZ ARG A 78 2.977 -9.399 -3.854 1.00 42.34 C ATOM 1284 NH1 ARG A 78 2.846 -9.104 -5.144 1.00 24.40 N ATOM 1285 NH2 ARG A 78 3.384 -10.608 -3.494 1.00 14.13 N ATOM 0 H ARG A 78 4.088 -3.680 -2.890 1.00 52.11 H new ATOM 0 HA ARG A 78 2.143 -4.928 -4.500 1.00 74.42 H new ATOM 0 HB2 ARG A 78 2.228 -4.103 -1.587 1.00 43.35 H new ATOM 0 HB3 ARG A 78 0.846 -4.927 -2.282 1.00 43.35 H new ATOM 0 HG2 ARG A 78 3.691 -5.996 -2.175 1.00 41.22 H new ATOM 0 HG3 ARG A 78 2.358 -6.509 -1.161 1.00 41.22 H new ATOM 0 HD2 ARG A 78 1.109 -7.177 -3.270 1.00 62.44 H new ATOM 0 HD3 ARG A 78 2.563 -6.820 -4.181 1.00 62.44 H new ATOM 0 HE ARG A 78 2.866 -8.736 -1.943 1.00 23.03 H new ATOM 0 HH11 ARG A 78 2.537 -8.173 -5.426 1.00 24.40 H new ATOM 0 HH12 ARG A 78 3.054 -9.808 -5.852 1.00 24.40 H new ATOM 0 HH21 ARG A 78 3.490 -10.837 -2.506 1.00 14.13 H new ATOM 0 HH22 ARG A 78 3.591 -11.309 -4.205 1.00 14.13 H new ATOM 1299 N VAL A 79 1.524 -1.816 -3.661 1.00 10.23 N ATOM 1300 CA VAL A 79 0.607 -0.703 -3.911 1.00 24.21 C ATOM 1301 C VAL A 79 0.491 -0.439 -5.410 1.00 13.44 C ATOM 1302 O VAL A 79 -0.564 -0.040 -5.899 1.00 3.02 O ATOM 1303 CB VAL A 79 1.017 0.601 -3.177 1.00 15.11 C ATOM 1304 CG1 VAL A 79 1.213 0.348 -1.692 1.00 11.41 C ATOM 1305 CG2 VAL A 79 2.265 1.224 -3.782 1.00 74.25 C ATOM 0 H VAL A 79 2.389 -1.559 -3.185 1.00 10.23 H new ATOM 0 HA VAL A 79 -0.361 -1.003 -3.509 1.00 24.21 H new ATOM 0 HB VAL A 79 0.201 1.312 -3.304 1.00 15.11 H new ATOM 0 HG11 VAL A 79 1.500 1.277 -1.199 1.00 11.41 H new ATOM 0 HG12 VAL A 79 0.282 -0.020 -1.260 1.00 11.41 H new ATOM 0 HG13 VAL A 79 1.997 -0.395 -1.550 1.00 11.41 H new ATOM 0 HG21 VAL A 79 2.517 2.135 -3.239 1.00 74.25 H new ATOM 0 HG22 VAL A 79 3.094 0.519 -3.713 1.00 74.25 H new ATOM 0 HG23 VAL A 79 2.080 1.466 -4.829 1.00 74.25 H new ATOM 1315 N THR A 80 1.579 -0.690 -6.134 1.00 22.11 N ATOM 1316 CA THR A 80 1.597 -0.535 -7.579 1.00 22.44 C ATOM 1317 C THR A 80 0.573 -1.466 -8.226 1.00 4.02 C ATOM 1318 O THR A 80 -0.133 -1.084 -9.161 1.00 24.12 O ATOM 1319 CB THR A 80 2.996 -0.848 -8.139 1.00 34.50 C ATOM 1320 OG1 THR A 80 3.995 -0.304 -7.268 1.00 2.22 O ATOM 1321 CG2 THR A 80 3.171 -0.272 -9.534 1.00 54.24 C ATOM 0 H THR A 80 2.464 -1.004 -5.736 1.00 22.11 H new ATOM 0 HA THR A 80 1.342 0.499 -7.812 1.00 22.44 H new ATOM 0 HB THR A 80 3.105 -1.931 -8.199 1.00 34.50 H new ATOM 0 HG1 THR A 80 4.057 0.664 -7.406 1.00 2.22 H new ATOM 0 HG21 THR A 80 4.169 -0.509 -9.903 1.00 54.24 H new ATOM 0 HG22 THR A 80 2.425 -0.703 -10.202 1.00 54.24 H new ATOM 0 HG23 THR A 80 3.045 0.810 -9.499 1.00 54.24 H new ATOM 1329 N ALA A 81 0.485 -2.686 -7.699 1.00 53.24 N ATOM 1330 CA ALA A 81 -0.463 -3.671 -8.196 1.00 42.12 C ATOM 1331 C ALA A 81 -1.892 -3.250 -7.872 1.00 24.34 C ATOM 1332 O ALA A 81 -2.799 -3.424 -8.686 1.00 65.11 O ATOM 1333 CB ALA A 81 -0.162 -5.041 -7.605 1.00 53.12 C ATOM 0 H ALA A 81 1.063 -3.013 -6.925 1.00 53.24 H new ATOM 0 HA ALA A 81 -0.362 -3.732 -9.280 1.00 42.12 H new ATOM 0 HB1 ALA A 81 -0.880 -5.767 -7.986 1.00 53.12 H new ATOM 0 HB2 ALA A 81 0.846 -5.345 -7.886 1.00 53.12 H new ATOM 0 HB3 ALA A 81 -0.237 -4.993 -6.519 1.00 53.12 H new ATOM 1339 N ILE A 82 -2.081 -2.678 -6.687 1.00 61.42 N ATOM 1340 CA ILE A 82 -3.390 -2.184 -6.269 1.00 24.21 C ATOM 1341 C ILE A 82 -3.880 -1.113 -7.238 1.00 2.44 C ATOM 1342 O ILE A 82 -5.033 -1.131 -7.673 1.00 31.13 O ATOM 1343 CB ILE A 82 -3.350 -1.591 -4.843 1.00 44.45 C ATOM 1344 CG1 ILE A 82 -2.687 -2.572 -3.876 1.00 75.41 C ATOM 1345 CG2 ILE A 82 -4.758 -1.254 -4.370 1.00 41.11 C ATOM 1346 CD1 ILE A 82 -2.519 -2.030 -2.473 1.00 72.53 C ATOM 0 H ILE A 82 -1.342 -2.545 -5.997 1.00 61.42 H new ATOM 0 HA ILE A 82 -4.073 -3.034 -6.271 1.00 24.21 H new ATOM 0 HB ILE A 82 -2.761 -0.674 -4.866 1.00 44.45 H new ATOM 0 HG12 ILE A 82 -3.282 -3.484 -3.834 1.00 75.41 H new ATOM 0 HG13 ILE A 82 -1.708 -2.848 -4.268 1.00 75.41 H new ATOM 0 HG21 ILE A 82 -4.714 -0.837 -3.364 1.00 41.11 H new ATOM 0 HG22 ILE A 82 -5.204 -0.524 -5.046 1.00 41.11 H new ATOM 0 HG23 ILE A 82 -5.365 -2.159 -4.361 1.00 41.11 H new ATOM 0 HD11 ILE A 82 -2.042 -2.784 -1.847 1.00 72.53 H new ATOM 0 HD12 ILE A 82 -1.898 -1.135 -2.501 1.00 72.53 H new ATOM 0 HD13 ILE A 82 -3.496 -1.781 -2.060 1.00 72.53 H new ATOM 1358 N MET A 83 -2.984 -0.197 -7.590 1.00 45.02 N ATOM 1359 CA MET A 83 -3.310 0.884 -8.515 1.00 55.15 C ATOM 1360 C MET A 83 -3.639 0.337 -9.897 1.00 23.35 C ATOM 1361 O MET A 83 -4.421 0.928 -10.636 1.00 45.42 O ATOM 1362 CB MET A 83 -2.149 1.874 -8.622 1.00 62.13 C ATOM 1363 CG MET A 83 -1.726 2.470 -7.292 1.00 61.32 C ATOM 1364 SD MET A 83 -3.068 3.326 -6.447 1.00 75.40 S ATOM 1365 CE MET A 83 -3.376 4.693 -7.564 1.00 41.04 C ATOM 0 H MET A 83 -2.023 -0.181 -7.248 1.00 45.02 H new ATOM 0 HA MET A 83 -4.185 1.401 -8.122 1.00 55.15 H new ATOM 0 HB2 MET A 83 -1.294 1.369 -9.071 1.00 62.13 H new ATOM 0 HB3 MET A 83 -2.433 2.681 -9.297 1.00 62.13 H new ATOM 0 HG2 MET A 83 -1.346 1.676 -6.649 1.00 61.32 H new ATOM 0 HG3 MET A 83 -0.904 3.167 -7.457 1.00 61.32 H new ATOM 0 HE1 MET A 83 -4.171 5.320 -7.161 1.00 41.04 H new ATOM 0 HE2 MET A 83 -2.467 5.285 -7.674 1.00 41.04 H new ATOM 0 HE3 MET A 83 -3.677 4.307 -8.538 1.00 41.04 H new ATOM 1375 N ARG A 84 -3.041 -0.797 -10.237 1.00 10.42 N ATOM 1376 CA ARG A 84 -3.275 -1.426 -11.529 1.00 74.44 C ATOM 1377 C ARG A 84 -4.716 -1.926 -11.614 1.00 4.30 C ATOM 1378 O ARG A 84 -5.359 -1.826 -12.657 1.00 75.02 O ATOM 1379 CB ARG A 84 -2.282 -2.579 -11.742 1.00 62.05 C ATOM 1380 CG ARG A 84 -2.130 -3.026 -13.192 1.00 4.11 C ATOM 1381 CD ARG A 84 -3.299 -3.881 -13.671 1.00 74.34 C ATOM 1382 NE ARG A 84 -3.224 -4.148 -15.104 1.00 63.22 N ATOM 1383 CZ ARG A 84 -4.182 -4.751 -15.806 1.00 32.24 C ATOM 1384 NH1 ARG A 84 -5.264 -5.223 -15.198 1.00 2.10 N ATOM 1385 NH2 ARG A 84 -4.052 -4.880 -17.119 1.00 22.14 N ATOM 0 H ARG A 84 -2.389 -1.300 -9.635 1.00 10.42 H new ATOM 0 HA ARG A 84 -3.120 -0.691 -12.318 1.00 74.44 H new ATOM 0 HB2 ARG A 84 -1.306 -2.274 -11.365 1.00 62.05 H new ATOM 0 HB3 ARG A 84 -2.602 -3.432 -11.144 1.00 62.05 H new ATOM 0 HG2 ARG A 84 -2.042 -2.148 -13.831 1.00 4.11 H new ATOM 0 HG3 ARG A 84 -1.204 -3.592 -13.298 1.00 4.11 H new ATOM 0 HD2 ARG A 84 -3.307 -4.825 -13.125 1.00 74.34 H new ATOM 0 HD3 ARG A 84 -4.237 -3.374 -13.444 1.00 74.34 H new ATOM 0 HE ARG A 84 -2.383 -3.854 -15.600 1.00 63.22 H new ATOM 0 HH11 ARG A 84 -5.365 -5.125 -14.188 1.00 2.10 H new ATOM 0 HH12 ARG A 84 -5.994 -5.684 -15.741 1.00 2.10 H new ATOM 0 HH21 ARG A 84 -3.221 -4.518 -17.587 1.00 22.14 H new ATOM 0 HH22 ARG A 84 -4.783 -5.341 -17.661 1.00 22.14 H new ATOM 1399 N TYR A 85 -5.220 -2.460 -10.511 1.00 10.45 N ATOM 1400 CA TYR A 85 -6.596 -2.936 -10.464 1.00 32.14 C ATOM 1401 C TYR A 85 -7.562 -1.761 -10.411 1.00 72.43 C ATOM 1402 O TYR A 85 -8.588 -1.753 -11.090 1.00 15.30 O ATOM 1403 CB TYR A 85 -6.811 -3.857 -9.262 1.00 30.03 C ATOM 1404 CG TYR A 85 -6.005 -5.134 -9.336 1.00 73.14 C ATOM 1405 CD1 TYR A 85 -6.081 -5.955 -10.454 1.00 21.01 C ATOM 1406 CD2 TYR A 85 -5.175 -5.521 -8.292 1.00 40.15 C ATOM 1407 CE1 TYR A 85 -5.353 -7.126 -10.528 1.00 15.22 C ATOM 1408 CE2 TYR A 85 -4.442 -6.690 -8.360 1.00 72.34 C ATOM 1409 CZ TYR A 85 -4.535 -7.488 -9.479 1.00 1.42 C ATOM 1410 OH TYR A 85 -3.811 -8.659 -9.550 1.00 14.42 O ATOM 0 H TYR A 85 -4.701 -2.575 -9.641 1.00 10.45 H new ATOM 0 HA TYR A 85 -6.791 -3.508 -11.371 1.00 32.14 H new ATOM 0 HB2 TYR A 85 -6.547 -3.321 -8.350 1.00 30.03 H new ATOM 0 HB3 TYR A 85 -7.869 -4.107 -9.189 1.00 30.03 H new ATOM 0 HD1 TYR A 85 -6.719 -5.673 -11.278 1.00 21.01 H new ATOM 0 HD2 TYR A 85 -5.101 -4.898 -7.413 1.00 40.15 H new ATOM 0 HE1 TYR A 85 -5.424 -7.755 -11.403 1.00 15.22 H new ATOM 0 HE2 TYR A 85 -3.800 -6.977 -7.540 1.00 72.34 H new ATOM 0 HH TYR A 85 -3.284 -8.768 -8.731 1.00 14.42 H new ATOM 1420 N ALA A 86 -7.216 -0.757 -9.621 1.00 72.55 N ATOM 1421 CA ALA A 86 -8.048 0.428 -9.481 1.00 32.31 C ATOM 1422 C ALA A 86 -8.136 1.202 -10.794 1.00 74.32 C ATOM 1423 O ALA A 86 -9.211 1.679 -11.172 1.00 14.23 O ATOM 1424 CB ALA A 86 -7.511 1.316 -8.374 1.00 51.32 C ATOM 0 H ALA A 86 -6.361 -0.739 -9.065 1.00 72.55 H new ATOM 0 HA ALA A 86 -9.056 0.106 -9.218 1.00 32.31 H new ATOM 0 HB1 ALA A 86 -8.142 2.200 -8.278 1.00 51.32 H new ATOM 0 HB2 ALA A 86 -7.512 0.766 -7.433 1.00 51.32 H new ATOM 0 HB3 ALA A 86 -6.493 1.621 -8.614 1.00 51.32 H new ATOM 1430 N VAL A 87 -7.009 1.309 -11.496 1.00 72.32 N ATOM 1431 CA VAL A 87 -6.963 2.034 -12.761 1.00 74.34 C ATOM 1432 C VAL A 87 -7.758 1.302 -13.821 1.00 4.54 C ATOM 1433 O VAL A 87 -8.292 1.916 -14.742 1.00 12.21 O ATOM 1434 CB VAL A 87 -5.515 2.235 -13.270 1.00 70.22 C ATOM 1435 CG1 VAL A 87 -4.972 0.999 -13.979 1.00 12.43 C ATOM 1436 CG2 VAL A 87 -5.428 3.458 -14.170 1.00 34.23 C ATOM 0 H VAL A 87 -6.118 0.903 -11.210 1.00 72.32 H new ATOM 0 HA VAL A 87 -7.400 3.015 -12.574 1.00 74.34 H new ATOM 0 HB VAL A 87 -4.887 2.399 -12.394 1.00 70.22 H new ATOM 0 HG11 VAL A 87 -3.954 1.191 -14.317 1.00 12.43 H new ATOM 0 HG12 VAL A 87 -4.972 0.155 -13.290 1.00 12.43 H new ATOM 0 HG13 VAL A 87 -5.601 0.766 -14.838 1.00 12.43 H new ATOM 0 HG21 VAL A 87 -4.402 3.582 -14.517 1.00 34.23 H new ATOM 0 HG22 VAL A 87 -6.088 3.326 -15.027 1.00 34.23 H new ATOM 0 HG23 VAL A 87 -5.731 4.343 -13.611 1.00 34.23 H new ATOM 1446 N GLN A 88 -7.851 -0.008 -13.669 1.00 72.13 N ATOM 1447 CA GLN A 88 -8.497 -0.836 -14.662 1.00 21.55 C ATOM 1448 C GLN A 88 -9.976 -0.474 -14.750 1.00 30.41 C ATOM 1449 O GLN A 88 -10.581 -0.519 -15.818 1.00 1.14 O ATOM 1450 CB GLN A 88 -8.316 -2.322 -14.323 1.00 22.23 C ATOM 1451 CG GLN A 88 -8.181 -3.233 -15.540 1.00 1.13 C ATOM 1452 CD GLN A 88 -9.472 -3.424 -16.313 1.00 3.24 C ATOM 1453 OE1 GLN A 88 -10.589 -3.491 -15.610 1.00 3.24 O flip ATOM 1454 NE2 GLN A 88 -9.456 -3.565 -17.537 1.00 63.11 N flip ATOM 0 H GLN A 88 -7.485 -0.518 -12.865 1.00 72.13 H new ATOM 0 HA GLN A 88 -8.035 -0.656 -15.633 1.00 21.55 H new ATOM 0 HB2 GLN A 88 -7.429 -2.435 -13.699 1.00 22.23 H new ATOM 0 HB3 GLN A 88 -9.168 -2.653 -13.729 1.00 22.23 H new ATOM 0 HG2 GLN A 88 -7.427 -2.819 -16.209 1.00 1.13 H new ATOM 0 HG3 GLN A 88 -7.817 -4.207 -15.213 1.00 1.13 H new ATOM 0 HE21 GLN A 88 -8.574 -3.507 -18.046 1.00 63.11 H new ATOM 0 HE22 GLN A 88 -10.325 -3.740 -18.042 1.00 63.11 H new ATOM 1463 N ASN A 89 -10.541 -0.079 -13.614 1.00 11.23 N ATOM 1464 CA ASN A 89 -11.943 0.319 -13.552 1.00 75.53 C ATOM 1465 C ASN A 89 -12.090 1.808 -13.838 1.00 43.33 C ATOM 1466 O ASN A 89 -13.199 2.339 -13.804 1.00 5.30 O ATOM 1467 CB ASN A 89 -12.545 0.013 -12.175 1.00 32.23 C ATOM 1468 CG ASN A 89 -12.495 -1.460 -11.817 1.00 13.33 C ATOM 1469 OD1 ASN A 89 -13.372 -2.233 -12.194 1.00 24.44 O ATOM 1470 ND2 ASN A 89 -11.473 -1.858 -11.073 1.00 34.33 N ATOM 0 H ASN A 89 -10.049 -0.026 -12.722 1.00 11.23 H new ATOM 0 HA ASN A 89 -12.478 -0.254 -14.309 1.00 75.53 H new ATOM 0 HB2 ASN A 89 -12.009 0.583 -11.416 1.00 32.23 H new ATOM 0 HB3 ASN A 89 -13.581 0.351 -12.155 1.00 32.23 H new ATOM 0 HD21 ASN A 89 -11.395 -2.836 -10.794 1.00 34.33 H new ATOM 0 HD22 ASN A 89 -10.764 -1.186 -10.779 1.00 34.33 H new ATOM 1477 N ASP A 90 -10.962 2.471 -14.113 1.00 44.42 N ATOM 1478 CA ASP A 90 -10.931 3.922 -14.332 1.00 2.43 C ATOM 1479 C ASP A 90 -11.539 4.625 -13.123 1.00 23.41 C ATOM 1480 O ASP A 90 -12.255 5.619 -13.237 1.00 63.43 O ATOM 1481 CB ASP A 90 -11.685 4.276 -15.619 1.00 2.10 C ATOM 1482 CG ASP A 90 -11.500 5.722 -16.041 1.00 70.02 C ATOM 1483 OD1 ASP A 90 -10.382 6.259 -15.874 1.00 10.22 O ATOM 1484 OD2 ASP A 90 -12.459 6.315 -16.578 1.00 74.24 O ATOM 0 H ASP A 90 -10.050 2.021 -14.190 1.00 44.42 H new ATOM 0 HA ASP A 90 -9.900 4.257 -14.448 1.00 2.43 H new ATOM 0 HB2 ASP A 90 -11.345 3.623 -16.423 1.00 2.10 H new ATOM 0 HB3 ASP A 90 -12.747 4.079 -15.476 1.00 2.10 H new ATOM 1489 N TYR A 91 -11.208 4.105 -11.949 1.00 20.34 N ATOM 1490 CA TYR A 91 -11.886 4.488 -10.724 1.00 11.25 C ATOM 1491 C TYR A 91 -11.072 5.491 -9.906 1.00 3.54 C ATOM 1492 O TYR A 91 -11.616 6.166 -9.033 1.00 14.10 O ATOM 1493 CB TYR A 91 -12.143 3.232 -9.889 1.00 42.13 C ATOM 1494 CG TYR A 91 -13.474 3.221 -9.174 1.00 34.10 C ATOM 1495 CD1 TYR A 91 -13.687 3.988 -8.038 1.00 43.21 C ATOM 1496 CD2 TYR A 91 -14.519 2.433 -9.640 1.00 41.30 C ATOM 1497 CE1 TYR A 91 -14.903 3.972 -7.387 1.00 1.11 C ATOM 1498 CE2 TYR A 91 -15.740 2.413 -8.993 1.00 45.30 C ATOM 1499 CZ TYR A 91 -15.925 3.183 -7.866 1.00 55.14 C ATOM 1500 OH TYR A 91 -17.138 3.171 -7.218 1.00 1.41 O ATOM 0 H TYR A 91 -10.469 3.413 -11.822 1.00 20.34 H new ATOM 0 HA TYR A 91 -12.825 4.972 -10.992 1.00 11.25 H new ATOM 0 HB2 TYR A 91 -12.087 2.360 -10.540 1.00 42.13 H new ATOM 0 HB3 TYR A 91 -11.347 3.131 -9.151 1.00 42.13 H new ATOM 0 HD1 TYR A 91 -12.888 4.607 -7.657 1.00 43.21 H new ATOM 0 HD2 TYR A 91 -14.375 1.826 -10.522 1.00 41.30 H new ATOM 0 HE1 TYR A 91 -15.053 4.576 -6.505 1.00 1.11 H new ATOM 0 HE2 TYR A 91 -16.544 1.798 -9.369 1.00 45.30 H new ATOM 0 HH TYR A 91 -17.751 2.564 -7.683 1.00 1.41 H new ATOM 1510 N ILE A 92 -9.776 5.596 -10.178 1.00 62.12 N ATOM 1511 CA ILE A 92 -8.904 6.378 -9.304 1.00 61.44 C ATOM 1512 C ILE A 92 -8.530 7.746 -9.872 1.00 25.15 C ATOM 1513 O ILE A 92 -9.227 8.735 -9.636 1.00 74.45 O ATOM 1514 CB ILE A 92 -7.607 5.613 -8.961 1.00 44.01 C ATOM 1515 CG1 ILE A 92 -7.156 4.745 -10.144 1.00 35.44 C ATOM 1516 CG2 ILE A 92 -7.802 4.770 -7.709 1.00 70.40 C ATOM 1517 CD1 ILE A 92 -5.797 4.112 -9.953 1.00 12.21 C ATOM 0 H ILE A 92 -9.313 5.162 -10.976 1.00 62.12 H new ATOM 0 HA ILE A 92 -9.493 6.541 -8.401 1.00 61.44 H new ATOM 0 HB ILE A 92 -6.820 6.341 -8.763 1.00 44.01 H new ATOM 0 HG12 ILE A 92 -7.893 3.959 -10.307 1.00 35.44 H new ATOM 0 HG13 ILE A 92 -7.138 5.357 -11.046 1.00 35.44 H new ATOM 0 HG21 ILE A 92 -6.879 4.238 -7.481 1.00 70.40 H new ATOM 0 HG22 ILE A 92 -8.064 5.417 -6.872 1.00 70.40 H new ATOM 0 HG23 ILE A 92 -8.604 4.051 -7.876 1.00 70.40 H new ATOM 0 HD11 ILE A 92 -5.547 3.514 -10.830 1.00 12.21 H new ATOM 0 HD12 ILE A 92 -5.048 4.892 -9.820 1.00 12.21 H new ATOM 0 HD13 ILE A 92 -5.814 3.472 -9.071 1.00 12.21 H new ATOM 1529 N ASP A 93 -7.452 7.789 -10.644 1.00 11.41 N ATOM 1530 CA ASP A 93 -6.860 9.051 -11.078 1.00 24.40 C ATOM 1531 C ASP A 93 -5.682 8.767 -12.001 1.00 32.43 C ATOM 1532 O ASP A 93 -4.595 9.321 -11.840 1.00 72.35 O ATOM 1533 CB ASP A 93 -6.393 9.858 -9.856 1.00 25.51 C ATOM 1534 CG ASP A 93 -5.996 11.283 -10.190 1.00 24.22 C ATOM 1535 OD1 ASP A 93 -6.830 12.025 -10.748 1.00 63.12 O ATOM 1536 OD2 ASP A 93 -4.842 11.672 -9.905 1.00 32.31 O ATOM 0 H ASP A 93 -6.966 6.960 -10.985 1.00 11.41 H new ATOM 0 HA ASP A 93 -7.606 9.635 -11.618 1.00 24.40 H new ATOM 0 HB2 ASP A 93 -7.192 9.876 -9.115 1.00 25.51 H new ATOM 0 HB3 ASP A 93 -5.544 9.350 -9.398 1.00 25.51 H new ATOM 1541 N SER A 94 -5.913 7.868 -12.951 1.00 24.55 N ATOM 1542 CA SER A 94 -4.895 7.476 -13.927 1.00 3.20 C ATOM 1543 C SER A 94 -3.805 6.631 -13.259 1.00 3.22 C ATOM 1544 O SER A 94 -4.045 6.022 -12.213 1.00 0.11 O ATOM 1545 CB SER A 94 -4.299 8.714 -14.612 1.00 52.41 C ATOM 1546 OG SER A 94 -5.300 9.445 -15.302 1.00 44.15 O ATOM 0 H SER A 94 -6.806 7.390 -13.069 1.00 24.55 H new ATOM 0 HA SER A 94 -5.368 6.864 -14.695 1.00 3.20 H new ATOM 0 HB2 SER A 94 -3.825 9.353 -13.867 1.00 52.41 H new ATOM 0 HB3 SER A 94 -3.521 8.408 -15.311 1.00 52.41 H new ATOM 0 HG SER A 94 -4.897 10.230 -15.729 1.00 44.15 H new ATOM 1552 N ASN A 95 -2.625 6.568 -13.869 1.00 64.43 N ATOM 1553 CA ASN A 95 -1.559 5.699 -13.392 1.00 43.11 C ATOM 1554 C ASN A 95 -0.390 6.496 -12.807 1.00 44.01 C ATOM 1555 O ASN A 95 0.547 6.844 -13.523 1.00 4.33 O ATOM 1556 CB ASN A 95 -1.056 4.820 -14.534 1.00 22.53 C ATOM 1557 CG ASN A 95 -0.653 3.450 -14.056 1.00 41.33 C ATOM 1558 OD1 ASN A 95 0.494 3.213 -13.677 1.00 33.42 O ATOM 1559 ND2 ASN A 95 -1.597 2.530 -14.075 1.00 61.21 N ATOM 0 H ASN A 95 -2.384 7.112 -14.698 1.00 64.43 H new ATOM 0 HA ASN A 95 -1.972 5.078 -12.597 1.00 43.11 H new ATOM 0 HB2 ASN A 95 -1.836 4.725 -15.289 1.00 22.53 H new ATOM 0 HB3 ASN A 95 -0.204 5.302 -15.014 1.00 22.53 H new ATOM 0 HD21 ASN A 95 -1.389 1.580 -13.768 1.00 61.21 H new ATOM 0 HD22 ASN A 95 -2.535 2.768 -14.397 1.00 61.21 H new ATOM 1566 N PRO A 96 -0.442 6.827 -11.503 1.00 34.01 N ATOM 1567 CA PRO A 96 0.627 7.573 -10.832 1.00 12.03 C ATOM 1568 C PRO A 96 1.839 6.695 -10.522 1.00 62.30 C ATOM 1569 O PRO A 96 2.938 7.193 -10.276 1.00 44.45 O ATOM 1570 CB PRO A 96 -0.026 8.059 -9.526 1.00 4.44 C ATOM 1571 CG PRO A 96 -1.466 7.660 -9.608 1.00 21.53 C ATOM 1572 CD PRO A 96 -1.533 6.515 -10.577 1.00 32.14 C ATOM 0 HA PRO A 96 1.007 8.381 -11.457 1.00 12.03 H new ATOM 0 HB2 PRO A 96 0.455 7.607 -8.658 1.00 4.44 H new ATOM 0 HB3 PRO A 96 0.074 9.139 -9.419 1.00 4.44 H new ATOM 0 HG2 PRO A 96 -1.843 7.363 -8.629 1.00 21.53 H new ATOM 0 HG3 PRO A 96 -2.081 8.493 -9.948 1.00 21.53 H new ATOM 0 HD2 PRO A 96 -1.385 5.555 -10.083 1.00 32.14 H new ATOM 0 HD3 PRO A 96 -2.496 6.467 -11.085 1.00 32.14 H new ATOM 1580 N ALA A 97 1.632 5.385 -10.543 1.00 73.11 N ATOM 1581 CA ALA A 97 2.693 4.438 -10.237 1.00 3.51 C ATOM 1582 C ALA A 97 3.391 3.976 -11.511 1.00 65.43 C ATOM 1583 O ALA A 97 3.059 2.937 -12.078 1.00 63.22 O ATOM 1584 CB ALA A 97 2.139 3.249 -9.465 1.00 33.03 C ATOM 0 H ALA A 97 0.736 4.954 -10.770 1.00 73.11 H new ATOM 0 HA ALA A 97 3.431 4.941 -9.612 1.00 3.51 H new ATOM 0 HB1 ALA A 97 2.946 2.550 -9.244 1.00 33.03 H new ATOM 0 HB2 ALA A 97 1.694 3.596 -8.532 1.00 33.03 H new ATOM 0 HB3 ALA A 97 1.379 2.748 -10.065 1.00 33.03 H new ATOM 1590 N SER A 98 4.331 4.780 -11.979 1.00 2.12 N ATOM 1591 CA SER A 98 5.116 4.442 -13.157 1.00 73.14 C ATOM 1592 C SER A 98 6.596 4.701 -12.892 1.00 0.34 C ATOM 1593 O SER A 98 6.949 5.695 -12.247 1.00 53.44 O ATOM 1594 CB SER A 98 4.631 5.249 -14.362 1.00 42.32 C ATOM 1595 OG SER A 98 3.258 5.000 -14.618 1.00 30.43 O ATOM 0 H SER A 98 4.571 5.678 -11.558 1.00 2.12 H new ATOM 0 HA SER A 98 4.987 3.383 -13.379 1.00 73.14 H new ATOM 0 HB2 SER A 98 4.784 6.312 -14.178 1.00 42.32 H new ATOM 0 HB3 SER A 98 5.222 4.989 -15.240 1.00 42.32 H new ATOM 0 HG SER A 98 2.969 5.527 -15.392 1.00 30.43 H new ATOM 1601 N ASP A 99 7.450 3.785 -13.363 1.00 21.24 N ATOM 1602 CA ASP A 99 8.899 3.858 -13.133 1.00 1.40 C ATOM 1603 C ASP A 99 9.193 3.678 -11.642 1.00 32.12 C ATOM 1604 O ASP A 99 10.296 3.926 -11.159 1.00 13.03 O ATOM 1605 CB ASP A 99 9.461 5.189 -13.661 1.00 24.54 C ATOM 1606 CG ASP A 99 10.970 5.292 -13.555 1.00 32.11 C ATOM 1607 OD1 ASP A 99 11.674 4.529 -14.255 1.00 34.14 O ATOM 1608 OD2 ASP A 99 11.460 6.159 -12.798 1.00 23.12 O ATOM 0 H ASP A 99 7.159 2.976 -13.912 1.00 21.24 H new ATOM 0 HA ASP A 99 9.393 3.054 -13.679 1.00 1.40 H new ATOM 0 HB2 ASP A 99 9.169 5.309 -14.704 1.00 24.54 H new ATOM 0 HB3 ASP A 99 9.009 6.011 -13.106 1.00 24.54 H new ATOM 1613 N MET A 100 8.190 3.188 -10.930 1.00 61.41 N ATOM 1614 CA MET A 100 8.251 3.050 -9.485 1.00 73.22 C ATOM 1615 C MET A 100 9.217 1.937 -9.088 1.00 33.11 C ATOM 1616 O MET A 100 9.905 2.028 -8.070 1.00 15.35 O ATOM 1617 CB MET A 100 6.847 2.765 -8.945 1.00 61.53 C ATOM 1618 CG MET A 100 6.746 2.805 -7.432 1.00 63.03 C ATOM 1619 SD MET A 100 5.071 2.505 -6.839 1.00 14.43 S ATOM 1620 CE MET A 100 5.342 2.553 -5.070 1.00 63.13 C ATOM 0 H MET A 100 7.310 2.875 -11.339 1.00 61.41 H new ATOM 0 HA MET A 100 8.621 3.980 -9.052 1.00 73.22 H new ATOM 0 HB2 MET A 100 6.153 3.494 -9.364 1.00 61.53 H new ATOM 0 HB3 MET A 100 6.527 1.783 -9.294 1.00 61.53 H new ATOM 0 HG2 MET A 100 7.417 2.058 -7.007 1.00 63.03 H new ATOM 0 HG3 MET A 100 7.085 3.777 -7.075 1.00 63.03 H new ATOM 0 HE1 MET A 100 4.441 2.913 -4.574 1.00 63.13 H new ATOM 0 HE2 MET A 100 5.578 1.551 -4.711 1.00 63.13 H new ATOM 0 HE3 MET A 100 6.172 3.223 -4.847 1.00 63.13 H new ATOM 1630 N ALA A 101 9.284 0.896 -9.909 1.00 3.42 N ATOM 1631 CA ALA A 101 10.182 -0.227 -9.658 1.00 14.22 C ATOM 1632 C ALA A 101 11.492 -0.064 -10.425 1.00 43.42 C ATOM 1633 O ALA A 101 12.263 -1.015 -10.571 1.00 31.24 O ATOM 1634 CB ALA A 101 9.505 -1.537 -10.039 1.00 62.12 C ATOM 0 H ALA A 101 8.725 0.805 -10.758 1.00 3.42 H new ATOM 0 HA ALA A 101 10.414 -0.245 -8.593 1.00 14.22 H new ATOM 0 HB1 ALA A 101 10.185 -2.367 -9.847 1.00 62.12 H new ATOM 0 HB2 ALA A 101 8.600 -1.665 -9.445 1.00 62.12 H new ATOM 0 HB3 ALA A 101 9.245 -1.518 -11.097 1.00 62.12 H new