USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 730 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 89 ASN : amide:sc= -0.218 K(o=-0.22,f=-0.82!) USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 70 HIS :FLIP no HE2:sc= 0.013 F(o=-0.51,f=0.013) USER MOD Set 2.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 33 MET CE :methyl 168:sc= -1.31 (180deg=-0.514) USER MOD Set 3.2: A 75 LYS NZ :NH3+ -178:sc= -2.41 (180deg=-2.1) USER MOD Set 4.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0328 (180deg=0) USER MOD Single : A 2 SER OG : rot 31:sc= 0.255 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 153:sc= -0.0684 (180deg=-1.9) USER MOD Single : A 11 SER OG : rot 172:sc= -0.773 USER MOD Single : A 14 MET CE :methyl -157:sc= 0 (180deg=-0.115) USER MOD Single : A 20 TYR OH : rot 84:sc= 0.283 USER MOD Single : A 21 MET CE :methyl -140:sc= -3.73 (180deg=-7.28!) USER MOD Single : A 24 ASN : amide:sc= -0.111 K(o=-0.11,f=-0.7) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 91:sc= 1.21 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.439 K(o=0.44,f=-5!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.31 USER MOD Single : A 54 TYR OH : rot 0:sc= -0.989 USER MOD Single : A 55 CYS SG : rot 80:sc= -1.44 USER MOD Single : A 64 THR OG1 : rot 74:sc= 0.247 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 152:sc= -0.348 (180deg=-2.06) USER MOD Single : A 73 ASN : amide:sc= -1.18! C(o=-1.2!,f=-1.8!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 11:sc= 0.894 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.397 6.561 -13.762 1.00 0.00 N ATOM 2 CA GLY A 1 23.123 7.761 -12.994 1.00 0.00 C ATOM 3 C GLY A 1 21.672 8.190 -13.087 1.00 0.00 C ATOM 4 O GLY A 1 20.781 7.356 -13.248 1.00 0.00 O ATOM 0 H1 GLY A 1 23.947 5.896 -13.182 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.500 6.116 -14.042 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.941 6.810 -14.613 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.381 7.587 -11.949 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.761 8.570 -13.349 1.00 0.00 H new ATOM 8 N SER A 2 21.434 9.493 -12.983 1.00 0.00 N ATOM 9 CA SER A 2 20.080 10.031 -13.050 1.00 0.00 C ATOM 10 C SER A 2 19.661 10.267 -14.497 1.00 0.00 C ATOM 11 O SER A 2 20.224 11.117 -15.187 1.00 0.00 O ATOM 12 CB SER A 2 19.988 11.338 -12.260 1.00 0.00 C ATOM 13 OG SER A 2 21.003 12.245 -12.654 1.00 0.00 O ATOM 0 H SER A 2 22.161 10.196 -12.852 1.00 0.00 H new ATOM 0 HA SER A 2 19.402 9.300 -12.609 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.010 11.792 -12.416 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.077 11.129 -11.194 1.00 0.00 H new ATOM 0 HG SER A 2 21.219 12.104 -13.599 1.00 0.00 H new ATOM 19 N SER A 3 18.668 9.509 -14.951 1.00 0.00 N ATOM 20 CA SER A 3 18.174 9.632 -16.317 1.00 0.00 C ATOM 21 C SER A 3 16.763 9.066 -16.438 1.00 0.00 C ATOM 22 O SER A 3 16.410 8.099 -15.765 1.00 0.00 O ATOM 23 CB SER A 3 19.111 8.909 -17.287 1.00 0.00 C ATOM 24 OG SER A 3 19.303 7.559 -16.900 1.00 0.00 O ATOM 0 H SER A 3 18.190 8.803 -14.392 1.00 0.00 H new ATOM 0 HA SER A 3 18.144 10.691 -16.572 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.696 8.946 -18.294 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.072 9.422 -17.319 1.00 0.00 H new ATOM 0 HG SER A 3 19.904 7.119 -17.537 1.00 0.00 H new ATOM 30 N GLY A 4 15.958 9.679 -17.302 1.00 0.00 N ATOM 31 CA GLY A 4 14.594 9.223 -17.496 1.00 0.00 C ATOM 32 C GLY A 4 14.496 8.105 -18.515 1.00 0.00 C ATOM 33 O GLY A 4 13.729 8.195 -19.474 1.00 0.00 O ATOM 0 H GLY A 4 16.226 10.482 -17.870 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.190 8.879 -16.544 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.977 10.061 -17.820 1.00 0.00 H new ATOM 37 N SER A 5 15.274 7.048 -18.308 1.00 0.00 N ATOM 38 CA SER A 5 15.276 5.909 -19.219 1.00 0.00 C ATOM 39 C SER A 5 14.101 4.980 -18.928 1.00 0.00 C ATOM 40 O SER A 5 13.483 5.056 -17.866 1.00 0.00 O ATOM 41 CB SER A 5 16.592 5.138 -19.103 1.00 0.00 C ATOM 42 OG SER A 5 17.694 5.953 -19.461 1.00 0.00 O ATOM 0 H SER A 5 15.912 6.956 -17.517 1.00 0.00 H new ATOM 0 HA SER A 5 15.175 6.288 -20.236 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.718 4.779 -18.082 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.561 4.260 -19.748 1.00 0.00 H new ATOM 0 HG SER A 5 18.523 5.437 -19.377 1.00 0.00 H new ATOM 48 N SER A 6 13.799 4.103 -19.881 1.00 0.00 N ATOM 49 CA SER A 6 12.696 3.161 -19.730 1.00 0.00 C ATOM 50 C SER A 6 13.002 2.136 -18.642 1.00 0.00 C ATOM 51 O SER A 6 13.639 1.115 -18.897 1.00 0.00 O ATOM 52 CB SER A 6 12.422 2.448 -21.056 1.00 0.00 C ATOM 53 OG SER A 6 11.318 1.567 -20.942 1.00 0.00 O ATOM 0 H SER A 6 14.302 4.025 -20.765 1.00 0.00 H new ATOM 0 HA SER A 6 11.809 3.722 -19.437 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.225 3.185 -21.835 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.307 1.890 -21.362 1.00 0.00 H new ATOM 0 HG SER A 6 11.162 1.125 -21.803 1.00 0.00 H new ATOM 59 N GLY A 7 12.542 2.417 -17.427 1.00 0.00 N ATOM 60 CA GLY A 7 12.776 1.511 -16.317 1.00 0.00 C ATOM 61 C GLY A 7 11.512 1.213 -15.535 1.00 0.00 C ATOM 62 O GLY A 7 10.692 0.398 -15.956 1.00 0.00 O ATOM 0 H GLY A 7 12.011 3.256 -17.191 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.194 0.578 -16.695 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.519 1.945 -15.648 1.00 0.00 H new ATOM 66 N MET A 8 11.355 1.875 -14.393 1.00 0.00 N ATOM 67 CA MET A 8 10.182 1.675 -13.551 1.00 0.00 C ATOM 68 C MET A 8 9.296 2.917 -13.550 1.00 0.00 C ATOM 69 O MET A 8 9.176 3.605 -12.537 1.00 0.00 O ATOM 70 CB MET A 8 10.606 1.337 -12.120 1.00 0.00 C ATOM 71 CG MET A 8 9.593 0.485 -11.372 1.00 0.00 C ATOM 72 SD MET A 8 9.374 -1.144 -12.111 1.00 0.00 S ATOM 73 CE MET A 8 10.768 -2.024 -11.413 1.00 0.00 C ATOM 0 H MET A 8 12.025 2.554 -14.030 1.00 0.00 H new ATOM 0 HA MET A 8 9.610 0.842 -13.960 1.00 0.00 H new ATOM 0 HB2 MET A 8 11.561 0.812 -12.147 1.00 0.00 H new ATOM 0 HB3 MET A 8 10.767 2.264 -11.569 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.915 0.370 -10.337 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.634 1.002 -11.352 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.537 -3.088 -11.360 1.00 0.00 H new ATOM 0 HE2 MET A 8 11.645 -1.874 -12.043 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.972 -1.646 -10.411 1.00 0.00 H new ATOM 83 N ALA A 9 8.678 3.198 -14.692 1.00 0.00 N ATOM 84 CA ALA A 9 7.802 4.356 -14.822 1.00 0.00 C ATOM 85 C ALA A 9 6.338 3.956 -14.677 1.00 0.00 C ATOM 86 O ALA A 9 5.665 4.362 -13.730 1.00 0.00 O ATOM 87 CB ALA A 9 8.033 5.045 -16.159 1.00 0.00 C ATOM 0 H ALA A 9 8.768 2.640 -15.541 1.00 0.00 H new ATOM 0 HA ALA A 9 8.042 5.054 -14.020 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.372 5.908 -16.243 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.070 5.374 -16.224 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.822 4.347 -16.969 1.00 0.00 H new ATOM 93 N ALA A 10 5.850 3.159 -15.622 1.00 0.00 N ATOM 94 CA ALA A 10 4.466 2.703 -15.598 1.00 0.00 C ATOM 95 C ALA A 10 4.309 1.471 -14.713 1.00 0.00 C ATOM 96 O ALA A 10 3.499 0.589 -14.999 1.00 0.00 O ATOM 97 CB ALA A 10 3.983 2.406 -17.010 1.00 0.00 C ATOM 0 H ALA A 10 6.393 2.816 -16.414 1.00 0.00 H new ATOM 0 HA ALA A 10 3.854 3.501 -15.177 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.948 2.066 -16.977 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.049 3.310 -17.615 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.606 1.628 -17.452 1.00 0.00 H new ATOM 103 N SER A 11 5.090 1.416 -13.639 1.00 0.00 N ATOM 104 CA SER A 11 5.040 0.289 -12.715 1.00 0.00 C ATOM 105 C SER A 11 4.677 0.755 -11.308 1.00 0.00 C ATOM 106 O SER A 11 4.744 1.946 -11.000 1.00 0.00 O ATOM 107 CB SER A 11 6.386 -0.439 -12.692 1.00 0.00 C ATOM 108 OG SER A 11 6.536 -1.269 -13.830 1.00 0.00 O ATOM 0 H SER A 11 5.765 2.138 -13.387 1.00 0.00 H new ATOM 0 HA SER A 11 4.269 -0.399 -13.061 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.196 0.289 -12.660 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.462 -1.041 -11.786 1.00 0.00 H new ATOM 0 HG SER A 11 7.449 -1.623 -13.859 1.00 0.00 H new ATOM 114 N LEU A 12 4.293 -0.192 -10.459 1.00 0.00 N ATOM 115 CA LEU A 12 3.918 0.120 -9.084 1.00 0.00 C ATOM 116 C LEU A 12 4.649 -0.789 -8.101 1.00 0.00 C ATOM 117 O LEU A 12 5.073 -1.889 -8.455 1.00 0.00 O ATOM 118 CB LEU A 12 2.407 -0.023 -8.901 1.00 0.00 C ATOM 119 CG LEU A 12 1.535 0.782 -9.865 1.00 0.00 C ATOM 120 CD1 LEU A 12 0.194 0.095 -10.074 1.00 0.00 C ATOM 121 CD2 LEU A 12 1.335 2.199 -9.347 1.00 0.00 C ATOM 0 H LEU A 12 4.233 -1.182 -10.698 1.00 0.00 H new ATOM 0 HA LEU A 12 4.206 1.151 -8.880 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.147 -1.077 -9.001 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.155 0.272 -7.882 1.00 0.00 H new ATOM 0 HG LEU A 12 2.046 0.836 -10.826 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.413 0.683 -10.763 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.356 -0.899 -10.490 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.323 0.008 -9.118 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.712 2.757 -10.046 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.847 2.165 -8.373 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.303 2.691 -9.251 1.00 0.00 H new ATOM 133 N TRP A 13 4.792 -0.322 -6.866 1.00 0.00 N ATOM 134 CA TRP A 13 5.470 -1.094 -5.831 1.00 0.00 C ATOM 135 C TRP A 13 4.470 -1.900 -5.010 1.00 0.00 C ATOM 136 O TRP A 13 3.379 -1.422 -4.701 1.00 0.00 O ATOM 137 CB TRP A 13 6.270 -0.166 -4.915 1.00 0.00 C ATOM 138 CG TRP A 13 6.591 -0.777 -3.585 1.00 0.00 C ATOM 139 CD1 TRP A 13 7.785 -1.314 -3.195 1.00 0.00 C ATOM 140 CD2 TRP A 13 5.704 -0.915 -2.469 1.00 0.00 C ATOM 141 NE1 TRP A 13 7.693 -1.777 -1.905 1.00 0.00 N ATOM 142 CE2 TRP A 13 6.427 -1.543 -1.437 1.00 0.00 C ATOM 143 CE3 TRP A 13 4.370 -0.567 -2.241 1.00 0.00 C ATOM 144 CZ2 TRP A 13 5.860 -1.831 -0.198 1.00 0.00 C ATOM 145 CZ3 TRP A 13 3.808 -0.853 -1.011 1.00 0.00 C ATOM 146 CH2 TRP A 13 4.552 -1.479 -0.003 1.00 0.00 C ATOM 0 H TRP A 13 4.448 0.587 -6.557 1.00 0.00 H new ATOM 0 HA TRP A 13 6.154 -1.788 -6.320 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.199 0.112 -5.413 1.00 0.00 H new ATOM 0 HB3 TRP A 13 5.705 0.753 -4.758 1.00 0.00 H new ATOM 0 HD1 TRP A 13 8.671 -1.367 -3.810 1.00 0.00 H new ATOM 0 HE1 TRP A 13 8.446 -2.223 -1.380 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.789 -0.083 -3.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.432 -2.314 0.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.778 -0.589 -0.824 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.084 -1.688 0.948 1.00 0.00 H new ATOM 157 N MET A 14 4.849 -3.125 -4.660 1.00 0.00 N ATOM 158 CA MET A 14 3.984 -3.997 -3.873 1.00 0.00 C ATOM 159 C MET A 14 4.783 -4.735 -2.804 1.00 0.00 C ATOM 160 O MET A 14 5.514 -5.678 -3.103 1.00 0.00 O ATOM 161 CB MET A 14 3.275 -5.003 -4.782 1.00 0.00 C ATOM 162 CG MET A 14 2.281 -5.889 -4.049 1.00 0.00 C ATOM 163 SD MET A 14 1.489 -7.091 -5.134 1.00 0.00 S ATOM 164 CE MET A 14 -0.054 -7.364 -4.268 1.00 0.00 C ATOM 0 H MET A 14 5.749 -3.536 -4.909 1.00 0.00 H new ATOM 0 HA MET A 14 3.237 -3.376 -3.379 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.754 -4.462 -5.572 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.022 -5.632 -5.266 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.794 -6.415 -3.244 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.517 -5.265 -3.586 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.464 -8.333 -4.552 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.124 -7.347 -3.193 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.763 -6.579 -4.531 1.00 0.00 H new ATOM 174 N GLY A 15 4.639 -4.298 -1.557 1.00 0.00 N ATOM 175 CA GLY A 15 5.355 -4.929 -0.463 1.00 0.00 C ATOM 176 C GLY A 15 4.452 -5.783 0.404 1.00 0.00 C ATOM 177 O GLY A 15 3.358 -6.165 -0.013 1.00 0.00 O ATOM 0 H GLY A 15 4.040 -3.519 -1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.157 -5.547 -0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.823 -4.160 0.152 1.00 0.00 H new ATOM 181 N ASP A 16 4.910 -6.086 1.614 1.00 0.00 N ATOM 182 CA ASP A 16 4.136 -6.902 2.542 1.00 0.00 C ATOM 183 C ASP A 16 3.764 -8.240 1.910 1.00 0.00 C ATOM 184 O ASP A 16 2.686 -8.780 2.162 1.00 0.00 O ATOM 185 CB ASP A 16 2.870 -6.160 2.975 1.00 0.00 C ATOM 186 CG ASP A 16 2.291 -6.705 4.265 1.00 0.00 C ATOM 187 OD1 ASP A 16 2.959 -6.583 5.314 1.00 0.00 O ATOM 188 OD2 ASP A 16 1.170 -7.254 4.227 1.00 0.00 O ATOM 0 H ASP A 16 5.813 -5.779 1.975 1.00 0.00 H new ATOM 0 HA ASP A 16 4.754 -7.094 3.419 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.098 -5.102 3.101 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.122 -6.233 2.185 1.00 0.00 H new ATOM 193 N LEU A 17 4.663 -8.770 1.088 1.00 0.00 N ATOM 194 CA LEU A 17 4.430 -10.045 0.419 1.00 0.00 C ATOM 195 C LEU A 17 5.037 -11.197 1.214 1.00 0.00 C ATOM 196 O LEU A 17 6.049 -11.028 1.894 1.00 0.00 O ATOM 197 CB LEU A 17 5.020 -10.018 -0.992 1.00 0.00 C ATOM 198 CG LEU A 17 4.711 -8.773 -1.824 1.00 0.00 C ATOM 199 CD1 LEU A 17 5.539 -8.765 -3.100 1.00 0.00 C ATOM 200 CD2 LEU A 17 3.227 -8.703 -2.150 1.00 0.00 C ATOM 0 H LEU A 17 5.560 -8.337 0.869 1.00 0.00 H new ATOM 0 HA LEU A 17 3.353 -10.201 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.102 -10.119 -0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.657 -10.892 -1.533 1.00 0.00 H new ATOM 0 HG LEU A 17 4.975 -7.893 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.306 -7.872 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.599 -8.766 -2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.306 -9.651 -3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.026 -7.810 -2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.937 -9.588 -2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.653 -8.661 -1.224 1.00 0.00 H new ATOM 212 N GLU A 18 4.413 -12.367 1.121 1.00 0.00 N ATOM 213 CA GLU A 18 4.894 -13.546 1.831 1.00 0.00 C ATOM 214 C GLU A 18 6.004 -14.239 1.046 1.00 0.00 C ATOM 215 O GLU A 18 6.138 -14.073 -0.166 1.00 0.00 O ATOM 216 CB GLU A 18 3.743 -14.524 2.080 1.00 0.00 C ATOM 217 CG GLU A 18 2.891 -14.166 3.286 1.00 0.00 C ATOM 218 CD GLU A 18 3.499 -14.640 4.591 1.00 0.00 C ATOM 219 OE1 GLU A 18 3.835 -15.839 4.687 1.00 0.00 O ATOM 220 OE2 GLU A 18 3.638 -13.813 5.516 1.00 0.00 O ATOM 0 H GLU A 18 3.574 -12.524 0.562 1.00 0.00 H new ATOM 0 HA GLU A 18 5.299 -13.221 2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.108 -14.558 1.194 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.151 -15.525 2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.757 -13.085 3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.901 -14.606 3.170 1.00 0.00 H new ATOM 227 N PRO A 19 6.819 -15.036 1.753 1.00 0.00 N ATOM 228 CA PRO A 19 7.932 -15.770 1.143 1.00 0.00 C ATOM 229 C PRO A 19 7.454 -16.900 0.237 1.00 0.00 C ATOM 230 O PRO A 19 8.258 -17.579 -0.402 1.00 0.00 O ATOM 231 CB PRO A 19 8.687 -16.336 2.349 1.00 0.00 C ATOM 232 CG PRO A 19 7.663 -16.429 3.427 1.00 0.00 C ATOM 233 CD PRO A 19 6.718 -15.281 3.201 1.00 0.00 C ATOM 0 HA PRO A 19 8.540 -15.130 0.503 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.116 -17.313 2.125 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.511 -15.685 2.641 1.00 0.00 H new ATOM 0 HG2 PRO A 19 7.136 -17.382 3.384 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.126 -16.365 4.412 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.700 -15.535 3.496 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.007 -14.403 3.778 1.00 0.00 H new ATOM 241 N TYR A 20 6.141 -17.095 0.185 1.00 0.00 N ATOM 242 CA TYR A 20 5.556 -18.144 -0.642 1.00 0.00 C ATOM 243 C TYR A 20 4.773 -17.546 -1.806 1.00 0.00 C ATOM 244 O TYR A 20 3.901 -18.196 -2.381 1.00 0.00 O ATOM 245 CB TYR A 20 4.640 -19.034 0.200 1.00 0.00 C ATOM 246 CG TYR A 20 3.200 -18.574 0.219 1.00 0.00 C ATOM 247 CD1 TYR A 20 2.879 -17.239 0.431 1.00 0.00 C ATOM 248 CD2 TYR A 20 2.159 -19.475 0.025 1.00 0.00 C ATOM 249 CE1 TYR A 20 1.564 -16.814 0.450 1.00 0.00 C ATOM 250 CE2 TYR A 20 0.842 -19.059 0.041 1.00 0.00 C ATOM 251 CZ TYR A 20 0.550 -17.728 0.254 1.00 0.00 C ATOM 252 OH TYR A 20 -0.761 -17.310 0.272 1.00 0.00 O ATOM 0 H TYR A 20 5.462 -16.540 0.706 1.00 0.00 H new ATOM 0 HA TYR A 20 6.368 -18.749 -1.046 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.682 -20.053 -0.186 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.017 -19.064 1.222 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.671 -16.521 0.584 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.384 -20.518 -0.141 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.332 -15.773 0.617 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.045 -19.772 -0.112 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.008 -16.970 -0.613 1.00 0.00 H new ATOM 262 N MET A 21 5.093 -16.302 -2.149 1.00 0.00 N ATOM 263 CA MET A 21 4.421 -15.616 -3.247 1.00 0.00 C ATOM 264 C MET A 21 5.339 -15.502 -4.460 1.00 0.00 C ATOM 265 O MET A 21 6.471 -15.029 -4.351 1.00 0.00 O ATOM 266 CB MET A 21 3.966 -14.224 -2.804 1.00 0.00 C ATOM 267 CG MET A 21 2.915 -14.248 -1.707 1.00 0.00 C ATOM 268 SD MET A 21 1.998 -12.700 -1.589 1.00 0.00 S ATOM 269 CE MET A 21 0.561 -13.228 -0.659 1.00 0.00 C ATOM 0 H MET A 21 5.812 -15.749 -1.683 1.00 0.00 H new ATOM 0 HA MET A 21 3.547 -16.203 -3.529 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.832 -13.662 -2.454 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.567 -13.690 -3.666 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.218 -15.065 -1.895 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.397 -14.454 -0.751 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.330 -12.745 -1.060 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.454 -14.310 -0.738 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.683 -12.951 0.388 1.00 0.00 H new ATOM 279 N ASP A 22 4.845 -15.938 -5.613 1.00 0.00 N ATOM 280 CA ASP A 22 5.621 -15.884 -6.847 1.00 0.00 C ATOM 281 C ASP A 22 4.866 -15.123 -7.931 1.00 0.00 C ATOM 282 O ASP A 22 3.665 -14.881 -7.811 1.00 0.00 O ATOM 283 CB ASP A 22 5.947 -17.298 -7.331 1.00 0.00 C ATOM 284 CG ASP A 22 6.628 -18.133 -6.265 1.00 0.00 C ATOM 285 OD1 ASP A 22 7.780 -17.812 -5.905 1.00 0.00 O ATOM 286 OD2 ASP A 22 6.009 -19.108 -5.790 1.00 0.00 O ATOM 0 H ASP A 22 3.911 -16.333 -5.719 1.00 0.00 H new ATOM 0 HA ASP A 22 6.552 -15.356 -6.640 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.027 -17.793 -7.643 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.591 -17.239 -8.208 1.00 0.00 H new ATOM 291 N GLU A 23 5.578 -14.747 -8.989 1.00 0.00 N ATOM 292 CA GLU A 23 4.974 -14.011 -10.093 1.00 0.00 C ATOM 293 C GLU A 23 3.580 -14.547 -10.406 1.00 0.00 C ATOM 294 O GLU A 23 2.670 -13.786 -10.732 1.00 0.00 O ATOM 295 CB GLU A 23 5.858 -14.100 -11.339 1.00 0.00 C ATOM 296 CG GLU A 23 7.125 -13.266 -11.247 1.00 0.00 C ATOM 297 CD GLU A 23 8.276 -14.022 -10.612 1.00 0.00 C ATOM 298 OE1 GLU A 23 8.155 -15.253 -10.443 1.00 0.00 O ATOM 299 OE2 GLU A 23 9.297 -13.382 -10.284 1.00 0.00 O ATOM 0 H GLU A 23 6.573 -14.940 -9.105 1.00 0.00 H new ATOM 0 HA GLU A 23 4.884 -12.967 -9.794 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.130 -15.142 -11.507 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.282 -13.777 -12.206 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.415 -12.942 -12.246 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.922 -12.366 -10.666 1.00 0.00 H new ATOM 306 N ASN A 24 3.422 -15.863 -10.306 1.00 0.00 N ATOM 307 CA ASN A 24 2.140 -16.502 -10.579 1.00 0.00 C ATOM 308 C ASN A 24 1.081 -16.048 -9.579 1.00 0.00 C ATOM 309 O ASN A 24 -0.061 -15.776 -9.948 1.00 0.00 O ATOM 310 CB ASN A 24 2.284 -18.024 -10.530 1.00 0.00 C ATOM 311 CG ASN A 24 2.710 -18.608 -11.864 1.00 0.00 C ATOM 312 OD1 ASN A 24 2.239 -18.183 -12.919 1.00 0.00 O ATOM 313 ND2 ASN A 24 3.605 -19.588 -11.822 1.00 0.00 N ATOM 0 H ASN A 24 4.166 -16.507 -10.038 1.00 0.00 H new ATOM 0 HA ASN A 24 1.821 -16.206 -11.578 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.016 -18.293 -9.768 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.334 -18.467 -10.229 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.929 -20.020 -12.687 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.968 -19.909 -10.925 1.00 0.00 H new ATOM 320 N PHE A 25 1.470 -15.967 -8.310 1.00 0.00 N ATOM 321 CA PHE A 25 0.555 -15.546 -7.256 1.00 0.00 C ATOM 322 C PHE A 25 0.169 -14.079 -7.424 1.00 0.00 C ATOM 323 O PHE A 25 -1.006 -13.751 -7.592 1.00 0.00 O ATOM 324 CB PHE A 25 1.193 -15.763 -5.882 1.00 0.00 C ATOM 325 CG PHE A 25 0.265 -15.468 -4.737 1.00 0.00 C ATOM 326 CD1 PHE A 25 -0.027 -14.161 -4.384 1.00 0.00 C ATOM 327 CD2 PHE A 25 -0.314 -16.499 -4.015 1.00 0.00 C ATOM 328 CE1 PHE A 25 -0.880 -13.887 -3.331 1.00 0.00 C ATOM 329 CE2 PHE A 25 -1.168 -16.231 -2.962 1.00 0.00 C ATOM 330 CZ PHE A 25 -1.451 -14.924 -2.619 1.00 0.00 C ATOM 0 H PHE A 25 2.412 -16.187 -7.988 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.348 -16.152 -7.330 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.533 -16.796 -5.807 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.076 -15.130 -5.796 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.417 -13.347 -4.938 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.096 -17.523 -4.278 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.100 -12.863 -3.065 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.614 -17.044 -2.408 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.117 -14.713 -1.796 1.00 0.00 H new ATOM 340 N ILE A 26 1.166 -13.202 -7.378 1.00 0.00 N ATOM 341 CA ILE A 26 0.931 -11.771 -7.525 1.00 0.00 C ATOM 342 C ILE A 26 -0.002 -11.485 -8.697 1.00 0.00 C ATOM 343 O ILE A 26 -1.011 -10.796 -8.547 1.00 0.00 O ATOM 344 CB ILE A 26 2.249 -11.003 -7.734 1.00 0.00 C ATOM 345 CG1 ILE A 26 3.187 -11.223 -6.545 1.00 0.00 C ATOM 346 CG2 ILE A 26 1.973 -9.520 -7.930 1.00 0.00 C ATOM 347 CD1 ILE A 26 2.654 -10.664 -5.244 1.00 0.00 C ATOM 0 H ILE A 26 2.144 -13.457 -7.240 1.00 0.00 H new ATOM 0 HA ILE A 26 0.464 -11.431 -6.600 1.00 0.00 H new ATOM 0 HB ILE A 26 2.735 -11.384 -8.632 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.365 -12.292 -6.426 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.150 -10.761 -6.762 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.915 -8.991 -8.076 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.338 -9.381 -8.805 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.468 -9.124 -7.049 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.370 -10.856 -4.445 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.502 -9.589 -5.345 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.705 -11.144 -5.004 1.00 0.00 H new ATOM 359 N SER A 27 0.341 -12.022 -9.864 1.00 0.00 N ATOM 360 CA SER A 27 -0.465 -11.822 -11.063 1.00 0.00 C ATOM 361 C SER A 27 -1.921 -12.198 -10.807 1.00 0.00 C ATOM 362 O SER A 27 -2.836 -11.452 -11.155 1.00 0.00 O ATOM 363 CB SER A 27 0.092 -12.653 -12.221 1.00 0.00 C ATOM 364 OG SER A 27 -0.692 -12.488 -13.390 1.00 0.00 O ATOM 0 H SER A 27 1.171 -12.598 -10.005 1.00 0.00 H new ATOM 0 HA SER A 27 -0.422 -10.766 -11.329 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.121 -12.356 -12.424 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.114 -13.706 -11.940 1.00 0.00 H new ATOM 0 HG SER A 27 -0.315 -13.028 -14.116 1.00 0.00 H new ATOM 370 N ARG A 28 -2.127 -13.361 -10.198 1.00 0.00 N ATOM 371 CA ARG A 28 -3.472 -13.838 -9.896 1.00 0.00 C ATOM 372 C ARG A 28 -4.233 -12.820 -9.052 1.00 0.00 C ATOM 373 O ARG A 28 -5.426 -12.597 -9.257 1.00 0.00 O ATOM 374 CB ARG A 28 -3.407 -15.179 -9.162 1.00 0.00 C ATOM 375 CG ARG A 28 -3.328 -16.379 -10.092 1.00 0.00 C ATOM 376 CD ARG A 28 -2.827 -17.616 -9.363 1.00 0.00 C ATOM 377 NE ARG A 28 -3.912 -18.348 -8.718 1.00 0.00 N ATOM 378 CZ ARG A 28 -3.722 -19.266 -7.776 1.00 0.00 C ATOM 379 NH1 ARG A 28 -2.494 -19.560 -7.372 1.00 0.00 N ATOM 380 NH2 ARG A 28 -4.761 -19.889 -7.236 1.00 0.00 N ATOM 0 H ARG A 28 -1.380 -13.990 -9.904 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.003 -13.972 -10.838 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.538 -15.182 -8.504 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.287 -15.279 -8.527 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.313 -16.578 -10.515 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.663 -16.152 -10.925 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.317 -18.271 -10.069 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.092 -17.322 -8.613 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.869 -18.144 -9.006 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.693 -19.081 -7.784 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.350 -20.265 -6.649 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.707 -19.664 -7.544 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.614 -20.593 -6.513 1.00 0.00 H new ATOM 394 N ALA A 29 -3.535 -12.206 -8.103 1.00 0.00 N ATOM 395 CA ALA A 29 -4.144 -11.211 -7.229 1.00 0.00 C ATOM 396 C ALA A 29 -4.774 -10.082 -8.038 1.00 0.00 C ATOM 397 O ALA A 29 -5.978 -9.841 -7.953 1.00 0.00 O ATOM 398 CB ALA A 29 -3.110 -10.656 -6.260 1.00 0.00 C ATOM 0 H ALA A 29 -2.547 -12.380 -7.920 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.935 -11.699 -6.659 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.579 -9.914 -5.613 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.710 -11.467 -5.651 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.300 -10.189 -6.820 1.00 0.00 H new ATOM 404 N PHE A 30 -3.951 -9.391 -8.821 1.00 0.00 N ATOM 405 CA PHE A 30 -4.428 -8.286 -9.645 1.00 0.00 C ATOM 406 C PHE A 30 -5.546 -8.744 -10.576 1.00 0.00 C ATOM 407 O PHE A 30 -6.633 -8.168 -10.589 1.00 0.00 O ATOM 408 CB PHE A 30 -3.276 -7.698 -10.463 1.00 0.00 C ATOM 409 CG PHE A 30 -2.337 -6.851 -9.653 1.00 0.00 C ATOM 410 CD1 PHE A 30 -2.618 -5.515 -9.415 1.00 0.00 C ATOM 411 CD2 PHE A 30 -1.173 -7.391 -9.129 1.00 0.00 C ATOM 412 CE1 PHE A 30 -1.754 -4.734 -8.671 1.00 0.00 C ATOM 413 CE2 PHE A 30 -0.307 -6.614 -8.383 1.00 0.00 C ATOM 414 CZ PHE A 30 -0.598 -5.284 -8.153 1.00 0.00 C ATOM 0 H PHE A 30 -2.951 -9.577 -8.902 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.824 -7.516 -8.982 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.714 -8.512 -10.922 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.687 -7.097 -11.274 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.522 -5.080 -9.815 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.940 -8.431 -9.306 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.983 -3.693 -8.495 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.597 -7.047 -7.980 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.077 -4.675 -7.569 1.00 0.00 H new ATOM 424 N ALA A 31 -5.270 -9.785 -11.355 1.00 0.00 N ATOM 425 CA ALA A 31 -6.252 -10.323 -12.288 1.00 0.00 C ATOM 426 C ALA A 31 -7.594 -10.553 -11.602 1.00 0.00 C ATOM 427 O ALA A 31 -8.641 -10.145 -12.107 1.00 0.00 O ATOM 428 CB ALA A 31 -5.743 -11.618 -12.903 1.00 0.00 C ATOM 0 H ALA A 31 -4.374 -10.273 -11.358 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.400 -9.591 -13.082 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.487 -12.008 -13.598 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.813 -11.426 -13.438 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.564 -12.349 -12.115 1.00 0.00 H new ATOM 434 N THR A 32 -7.558 -11.209 -10.446 1.00 0.00 N ATOM 435 CA THR A 32 -8.771 -11.495 -9.691 1.00 0.00 C ATOM 436 C THR A 32 -9.567 -10.222 -9.427 1.00 0.00 C ATOM 437 O THR A 32 -10.788 -10.200 -9.583 1.00 0.00 O ATOM 438 CB THR A 32 -8.449 -12.173 -8.346 1.00 0.00 C ATOM 439 OG1 THR A 32 -7.726 -13.389 -8.571 1.00 0.00 O ATOM 440 CG2 THR A 32 -9.724 -12.472 -7.571 1.00 0.00 C ATOM 0 H THR A 32 -6.701 -11.552 -10.012 1.00 0.00 H new ATOM 0 HA THR A 32 -9.368 -12.175 -10.299 1.00 0.00 H new ATOM 0 HB THR A 32 -7.837 -11.490 -7.758 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.764 -13.204 -8.563 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.471 -12.951 -6.625 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.258 -11.542 -7.376 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.358 -13.138 -8.156 1.00 0.00 H new ATOM 448 N MET A 33 -8.869 -9.165 -9.028 1.00 0.00 N ATOM 449 CA MET A 33 -9.512 -7.887 -8.745 1.00 0.00 C ATOM 450 C MET A 33 -10.046 -7.252 -10.025 1.00 0.00 C ATOM 451 O MET A 33 -10.800 -6.280 -9.979 1.00 0.00 O ATOM 452 CB MET A 33 -8.527 -6.936 -8.062 1.00 0.00 C ATOM 453 CG MET A 33 -8.300 -7.249 -6.592 1.00 0.00 C ATOM 454 SD MET A 33 -9.829 -7.250 -5.637 1.00 0.00 S ATOM 455 CE MET A 33 -9.637 -5.741 -4.690 1.00 0.00 C ATOM 0 H MET A 33 -7.858 -9.168 -8.893 1.00 0.00 H new ATOM 0 HA MET A 33 -10.351 -8.072 -8.075 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.572 -6.978 -8.586 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.897 -5.915 -8.155 1.00 0.00 H new ATOM 0 HG2 MET A 33 -7.820 -8.223 -6.502 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.613 -6.515 -6.170 1.00 0.00 H new ATOM 0 HE1 MET A 33 -10.584 -5.488 -4.213 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.873 -5.886 -3.926 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.337 -4.930 -5.354 1.00 0.00 H new ATOM 465 N GLY A 34 -9.650 -7.807 -11.166 1.00 0.00 N ATOM 466 CA GLY A 34 -10.098 -7.280 -12.442 1.00 0.00 C ATOM 467 C GLY A 34 -9.075 -6.363 -13.082 1.00 0.00 C ATOM 468 O GLY A 34 -9.434 -5.418 -13.784 1.00 0.00 O ATOM 0 H GLY A 34 -9.027 -8.612 -11.230 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.313 -8.108 -13.118 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.031 -6.735 -12.299 1.00 0.00 H new ATOM 472 N GLU A 35 -7.798 -6.641 -12.839 1.00 0.00 N ATOM 473 CA GLU A 35 -6.721 -5.831 -13.396 1.00 0.00 C ATOM 474 C GLU A 35 -5.768 -6.688 -14.224 1.00 0.00 C ATOM 475 O GLU A 35 -5.340 -7.758 -13.791 1.00 0.00 O ATOM 476 CB GLU A 35 -5.950 -5.129 -12.276 1.00 0.00 C ATOM 477 CG GLU A 35 -6.788 -4.132 -11.493 1.00 0.00 C ATOM 478 CD GLU A 35 -7.567 -4.782 -10.366 1.00 0.00 C ATOM 479 OE1 GLU A 35 -6.998 -4.940 -9.266 1.00 0.00 O ATOM 480 OE2 GLU A 35 -8.745 -5.134 -10.584 1.00 0.00 O ATOM 0 H GLU A 35 -7.484 -7.420 -12.261 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.166 -5.079 -14.048 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.558 -5.880 -11.590 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.092 -4.612 -12.706 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.137 -3.360 -11.082 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.483 -3.636 -12.171 1.00 0.00 H new ATOM 487 N THR A 36 -5.441 -6.210 -15.421 1.00 0.00 N ATOM 488 CA THR A 36 -4.540 -6.931 -16.311 1.00 0.00 C ATOM 489 C THR A 36 -3.095 -6.492 -16.107 1.00 0.00 C ATOM 490 O THR A 36 -2.654 -5.491 -16.672 1.00 0.00 O ATOM 491 CB THR A 36 -4.925 -6.722 -17.788 1.00 0.00 C ATOM 492 OG1 THR A 36 -6.320 -6.986 -17.974 1.00 0.00 O ATOM 493 CG2 THR A 36 -4.107 -7.631 -18.694 1.00 0.00 C ATOM 0 H THR A 36 -5.787 -5.327 -15.796 1.00 0.00 H new ATOM 0 HA THR A 36 -4.632 -7.989 -16.064 1.00 0.00 H new ATOM 0 HB THR A 36 -4.714 -5.686 -18.052 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.556 -6.849 -18.915 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.396 -7.466 -19.732 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.047 -7.407 -18.573 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.291 -8.672 -18.427 1.00 0.00 H new ATOM 501 N VAL A 37 -2.361 -7.246 -15.296 1.00 0.00 N ATOM 502 CA VAL A 37 -0.964 -6.935 -15.018 1.00 0.00 C ATOM 503 C VAL A 37 -0.084 -7.228 -16.229 1.00 0.00 C ATOM 504 O VAL A 37 -0.219 -8.271 -16.868 1.00 0.00 O ATOM 505 CB VAL A 37 -0.440 -7.735 -13.811 1.00 0.00 C ATOM 506 CG1 VAL A 37 -0.134 -9.170 -14.213 1.00 0.00 C ATOM 507 CG2 VAL A 37 0.792 -7.064 -13.222 1.00 0.00 C ATOM 0 H VAL A 37 -2.711 -8.077 -14.819 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.917 -5.871 -14.787 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.216 -7.755 -13.046 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.235 -9.720 -13.347 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.042 -9.645 -14.584 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.624 -9.175 -14.996 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.149 -7.643 -12.370 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.575 -7.012 -13.979 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.536 -6.056 -12.895 1.00 0.00 H new ATOM 517 N MET A 38 0.816 -6.301 -16.537 1.00 0.00 N ATOM 518 CA MET A 38 1.719 -6.461 -17.671 1.00 0.00 C ATOM 519 C MET A 38 2.863 -7.410 -17.325 1.00 0.00 C ATOM 520 O MET A 38 3.192 -8.308 -18.100 1.00 0.00 O ATOM 521 CB MET A 38 2.279 -5.103 -18.100 1.00 0.00 C ATOM 522 CG MET A 38 1.257 -4.214 -18.790 1.00 0.00 C ATOM 523 SD MET A 38 0.669 -4.911 -20.346 1.00 0.00 S ATOM 524 CE MET A 38 -1.083 -5.060 -20.009 1.00 0.00 C ATOM 0 H MET A 38 0.940 -5.432 -16.018 1.00 0.00 H new ATOM 0 HA MET A 38 1.152 -6.889 -18.498 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.665 -4.585 -17.222 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.122 -5.263 -18.772 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.409 -4.056 -18.123 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.700 -3.236 -18.979 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.587 -5.478 -20.880 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.234 -5.717 -19.152 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.496 -4.076 -19.789 1.00 0.00 H new ATOM 534 N SER A 39 3.464 -7.204 -16.158 1.00 0.00 N ATOM 535 CA SER A 39 4.573 -8.038 -15.712 1.00 0.00 C ATOM 536 C SER A 39 4.765 -7.926 -14.203 1.00 0.00 C ATOM 537 O SER A 39 4.243 -7.011 -13.565 1.00 0.00 O ATOM 538 CB SER A 39 5.862 -7.638 -16.433 1.00 0.00 C ATOM 539 OG SER A 39 6.741 -8.743 -16.556 1.00 0.00 O ATOM 0 H SER A 39 3.201 -6.466 -15.504 1.00 0.00 H new ATOM 0 HA SER A 39 4.336 -9.074 -15.954 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.623 -7.247 -17.422 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.356 -6.836 -15.884 1.00 0.00 H new ATOM 0 HG SER A 39 7.556 -8.462 -17.022 1.00 0.00 H new ATOM 545 N VAL A 40 5.519 -8.863 -13.637 1.00 0.00 N ATOM 546 CA VAL A 40 5.782 -8.870 -12.202 1.00 0.00 C ATOM 547 C VAL A 40 7.184 -9.388 -11.903 1.00 0.00 C ATOM 548 O VAL A 40 7.560 -10.479 -12.333 1.00 0.00 O ATOM 549 CB VAL A 40 4.755 -9.735 -11.448 1.00 0.00 C ATOM 550 CG1 VAL A 40 4.532 -11.054 -12.173 1.00 0.00 C ATOM 551 CG2 VAL A 40 5.210 -9.975 -10.016 1.00 0.00 C ATOM 0 H VAL A 40 5.959 -9.627 -14.150 1.00 0.00 H new ATOM 0 HA VAL A 40 5.698 -7.839 -11.859 1.00 0.00 H new ATOM 0 HB VAL A 40 3.806 -9.199 -11.419 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.803 -11.652 -11.625 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.159 -10.858 -13.178 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.474 -11.599 -12.236 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.473 -10.588 -9.498 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.171 -10.490 -10.021 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.313 -9.019 -9.502 1.00 0.00 H new ATOM 561 N LYS A 41 7.955 -8.599 -11.163 1.00 0.00 N ATOM 562 CA LYS A 41 9.316 -8.977 -10.803 1.00 0.00 C ATOM 563 C LYS A 41 9.454 -9.141 -9.293 1.00 0.00 C ATOM 564 O LYS A 41 9.169 -8.217 -8.530 1.00 0.00 O ATOM 565 CB LYS A 41 10.309 -7.927 -11.306 1.00 0.00 C ATOM 566 CG LYS A 41 11.676 -8.495 -11.645 1.00 0.00 C ATOM 567 CD LYS A 41 12.616 -7.417 -12.159 1.00 0.00 C ATOM 568 CE LYS A 41 13.145 -6.552 -11.025 1.00 0.00 C ATOM 569 NZ LYS A 41 14.339 -5.765 -11.438 1.00 0.00 N ATOM 0 H LYS A 41 7.660 -7.692 -10.800 1.00 0.00 H new ATOM 0 HA LYS A 41 9.538 -9.934 -11.276 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.896 -7.444 -12.191 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.424 -7.155 -10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.107 -8.962 -10.759 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.570 -9.276 -12.398 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.451 -7.881 -12.684 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.093 -6.791 -12.882 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.361 -5.873 -10.690 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.403 -7.185 -10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.669 -5.189 -10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 15.097 -6.413 -11.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.087 -5.142 -12.232 1.00 0.00 H new ATOM 583 N ILE A 42 9.895 -10.321 -8.868 1.00 0.00 N ATOM 584 CA ILE A 42 10.073 -10.603 -7.449 1.00 0.00 C ATOM 585 C ILE A 42 11.503 -10.313 -7.006 1.00 0.00 C ATOM 586 O ILE A 42 12.450 -10.939 -7.483 1.00 0.00 O ATOM 587 CB ILE A 42 9.734 -12.069 -7.120 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.367 -12.441 -7.700 1.00 0.00 C ATOM 589 CG2 ILE A 42 9.756 -12.293 -5.616 1.00 0.00 C ATOM 590 CD1 ILE A 42 7.209 -11.775 -6.991 1.00 0.00 C ATOM 0 H ILE A 42 10.135 -11.096 -9.486 1.00 0.00 H new ATOM 0 HA ILE A 42 9.388 -9.949 -6.909 1.00 0.00 H new ATOM 0 HB ILE A 42 10.488 -12.712 -7.574 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.342 -12.168 -8.755 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.241 -13.522 -7.648 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.514 -13.334 -5.400 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.748 -12.063 -5.228 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.021 -11.644 -5.141 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.272 -12.084 -7.455 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.208 -12.068 -5.941 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.311 -10.692 -7.066 1.00 0.00 H new ATOM 602 N ILE A 43 11.651 -9.361 -6.091 1.00 0.00 N ATOM 603 CA ILE A 43 12.966 -8.990 -5.581 1.00 0.00 C ATOM 604 C ILE A 43 13.482 -10.025 -4.587 1.00 0.00 C ATOM 605 O ILE A 43 13.047 -10.066 -3.436 1.00 0.00 O ATOM 606 CB ILE A 43 12.936 -7.610 -4.899 1.00 0.00 C ATOM 607 CG1 ILE A 43 12.473 -6.538 -5.888 1.00 0.00 C ATOM 608 CG2 ILE A 43 14.308 -7.266 -4.340 1.00 0.00 C ATOM 609 CD1 ILE A 43 13.029 -6.722 -7.283 1.00 0.00 C ATOM 0 H ILE A 43 10.877 -8.833 -5.688 1.00 0.00 H new ATOM 0 HA ILE A 43 13.637 -8.948 -6.439 1.00 0.00 H new ATOM 0 HB ILE A 43 12.227 -7.645 -4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.384 -6.545 -5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 43 12.769 -5.558 -5.514 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.271 -6.288 -3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.601 -8.018 -3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.036 -7.246 -5.151 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.659 -5.927 -7.930 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.118 -6.685 -7.249 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.711 -7.687 -7.677 1.00 0.00 H new ATOM 621 N ARG A 44 14.414 -10.858 -5.039 1.00 0.00 N ATOM 622 CA ARG A 44 14.991 -11.893 -4.190 1.00 0.00 C ATOM 623 C ARG A 44 16.511 -11.776 -4.148 1.00 0.00 C ATOM 624 O ARG A 44 17.128 -11.236 -5.065 1.00 0.00 O ATOM 625 CB ARG A 44 14.588 -13.280 -4.694 1.00 0.00 C ATOM 626 CG ARG A 44 13.114 -13.396 -5.044 1.00 0.00 C ATOM 627 CD ARG A 44 12.779 -14.774 -5.595 1.00 0.00 C ATOM 628 NE ARG A 44 12.963 -14.845 -7.042 1.00 0.00 N ATOM 629 CZ ARG A 44 12.368 -15.746 -7.815 1.00 0.00 C ATOM 630 NH1 ARG A 44 11.554 -16.647 -7.283 1.00 0.00 N ATOM 631 NH2 ARG A 44 12.586 -15.746 -9.124 1.00 0.00 N ATOM 0 H ARG A 44 14.786 -10.836 -5.989 1.00 0.00 H new ATOM 0 HA ARG A 44 14.606 -11.756 -3.180 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.182 -13.524 -5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.831 -14.019 -3.931 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.512 -13.202 -4.157 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.853 -12.635 -5.780 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.410 -15.520 -5.112 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.747 -15.022 -5.348 1.00 0.00 H new ATOM 0 HE ARG A 44 13.583 -14.165 -7.483 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.383 -16.649 -6.277 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.098 -17.338 -7.879 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.211 -15.054 -9.537 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.129 -16.438 -9.717 1.00 0.00 H new ATOM 645 N ASN A 45 17.109 -12.287 -3.076 1.00 0.00 N ATOM 646 CA ASN A 45 18.558 -12.240 -2.914 1.00 0.00 C ATOM 647 C ASN A 45 19.240 -13.270 -3.809 1.00 0.00 C ATOM 648 O ASN A 45 18.590 -14.168 -4.346 1.00 0.00 O ATOM 649 CB ASN A 45 18.937 -12.488 -1.453 1.00 0.00 C ATOM 650 CG ASN A 45 20.214 -11.772 -1.057 1.00 0.00 C ATOM 651 OD1 ASN A 45 20.946 -11.269 -1.909 1.00 0.00 O ATOM 652 ND2 ASN A 45 20.488 -11.724 0.241 1.00 0.00 N ATOM 0 H ASN A 45 16.613 -12.738 -2.307 1.00 0.00 H new ATOM 0 HA ASN A 45 18.899 -11.247 -3.208 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.123 -12.157 -0.808 1.00 0.00 H new ATOM 0 HB3 ASN A 45 19.058 -13.559 -1.289 1.00 0.00 H new ATOM 0 HD21 ASN A 45 21.334 -11.256 0.567 1.00 0.00 H new ATOM 0 HD22 ASN A 45 19.853 -12.155 0.913 1.00 0.00 H new ATOM 659 N ARG A 46 20.553 -13.134 -3.965 1.00 0.00 N ATOM 660 CA ARG A 46 21.323 -14.052 -4.796 1.00 0.00 C ATOM 661 C ARG A 46 21.954 -15.153 -3.948 1.00 0.00 C ATOM 662 O ARG A 46 22.431 -16.160 -4.473 1.00 0.00 O ATOM 663 CB ARG A 46 22.411 -13.294 -5.558 1.00 0.00 C ATOM 664 CG ARG A 46 21.891 -12.541 -6.772 1.00 0.00 C ATOM 665 CD ARG A 46 23.006 -11.783 -7.476 1.00 0.00 C ATOM 666 NE ARG A 46 23.667 -12.601 -8.490 1.00 0.00 N ATOM 667 CZ ARG A 46 23.118 -12.906 -9.660 1.00 0.00 C ATOM 668 NH1 ARG A 46 21.905 -12.464 -9.963 1.00 0.00 N ATOM 669 NH2 ARG A 46 23.782 -13.655 -10.531 1.00 0.00 N ATOM 0 H ARG A 46 21.106 -12.397 -3.527 1.00 0.00 H new ATOM 0 HA ARG A 46 20.642 -14.513 -5.512 1.00 0.00 H new ATOM 0 HB2 ARG A 46 22.892 -12.588 -4.881 1.00 0.00 H new ATOM 0 HB3 ARG A 46 23.177 -14.000 -5.879 1.00 0.00 H new ATOM 0 HG2 ARG A 46 21.431 -13.243 -7.468 1.00 0.00 H new ATOM 0 HG3 ARG A 46 21.113 -11.843 -6.463 1.00 0.00 H new ATOM 0 HD2 ARG A 46 22.597 -10.887 -7.943 1.00 0.00 H new ATOM 0 HD3 ARG A 46 23.740 -11.453 -6.741 1.00 0.00 H new ATOM 0 HE ARG A 46 24.601 -12.957 -8.288 1.00 0.00 H new ATOM 0 HH11 ARG A 46 21.391 -11.888 -9.296 1.00 0.00 H new ATOM 0 HH12 ARG A 46 21.486 -12.700 -10.863 1.00 0.00 H new ATOM 0 HH21 ARG A 46 24.715 -13.997 -10.302 1.00 0.00 H new ATOM 0 HH22 ARG A 46 23.359 -13.889 -11.429 1.00 0.00 H new ATOM 683 N LEU A 47 21.953 -14.955 -2.634 1.00 0.00 N ATOM 684 CA LEU A 47 22.525 -15.930 -1.713 1.00 0.00 C ATOM 685 C LEU A 47 21.432 -16.766 -1.056 1.00 0.00 C ATOM 686 O LEU A 47 21.483 -17.996 -1.068 1.00 0.00 O ATOM 687 CB LEU A 47 23.356 -15.222 -0.641 1.00 0.00 C ATOM 688 CG LEU A 47 24.811 -14.928 -1.005 1.00 0.00 C ATOM 689 CD1 LEU A 47 25.564 -16.220 -1.282 1.00 0.00 C ATOM 690 CD2 LEU A 47 24.883 -13.998 -2.207 1.00 0.00 C ATOM 0 H LEU A 47 21.562 -14.128 -2.183 1.00 0.00 H new ATOM 0 HA LEU A 47 23.172 -16.596 -2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 47 22.867 -14.280 -0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.345 -15.833 0.261 1.00 0.00 H new ATOM 0 HG LEU A 47 25.284 -14.431 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.598 -15.990 -1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 47 25.543 -16.851 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 47 25.092 -16.746 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 47 25.927 -13.800 -2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 47 24.393 -14.467 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 47 24.381 -13.060 -1.972 1.00 0.00 H new ATOM 702 N THR A 48 20.441 -16.090 -0.483 1.00 0.00 N ATOM 703 CA THR A 48 19.334 -16.769 0.178 1.00 0.00 C ATOM 704 C THR A 48 18.202 -17.058 -0.802 1.00 0.00 C ATOM 705 O THR A 48 17.424 -17.991 -0.608 1.00 0.00 O ATOM 706 CB THR A 48 18.783 -15.936 1.350 1.00 0.00 C ATOM 707 OG1 THR A 48 17.908 -14.915 0.857 1.00 0.00 O ATOM 708 CG2 THR A 48 19.915 -15.301 2.143 1.00 0.00 C ATOM 0 H THR A 48 20.383 -15.072 -0.464 1.00 0.00 H new ATOM 0 HA THR A 48 19.726 -17.710 0.564 1.00 0.00 H new ATOM 0 HB THR A 48 18.228 -16.602 2.010 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.561 -14.391 1.609 1.00 0.00 H new ATOM 0 HG21 THR A 48 19.501 -14.718 2.965 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.562 -16.082 2.542 1.00 0.00 H new ATOM 0 HG23 THR A 48 20.494 -14.648 1.491 1.00 0.00 H new ATOM 716 N GLY A 49 18.117 -16.252 -1.855 1.00 0.00 N ATOM 717 CA GLY A 49 17.077 -16.438 -2.850 1.00 0.00 C ATOM 718 C GLY A 49 15.706 -16.047 -2.336 1.00 0.00 C ATOM 719 O GLY A 49 14.724 -16.081 -3.079 1.00 0.00 O ATOM 0 H GLY A 49 18.750 -15.473 -2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.313 -15.845 -3.733 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.060 -17.482 -3.163 1.00 0.00 H new ATOM 723 N ILE A 50 15.637 -15.676 -1.062 1.00 0.00 N ATOM 724 CA ILE A 50 14.376 -15.277 -0.450 1.00 0.00 C ATOM 725 C ILE A 50 13.955 -13.887 -0.913 1.00 0.00 C ATOM 726 O ILE A 50 14.765 -12.963 -1.001 1.00 0.00 O ATOM 727 CB ILE A 50 14.468 -15.288 1.088 1.00 0.00 C ATOM 728 CG1 ILE A 50 14.823 -16.690 1.589 1.00 0.00 C ATOM 729 CG2 ILE A 50 13.158 -14.817 1.700 1.00 0.00 C ATOM 730 CD1 ILE A 50 15.114 -16.745 3.072 1.00 0.00 C ATOM 0 H ILE A 50 16.440 -15.643 -0.434 1.00 0.00 H new ATOM 0 HA ILE A 50 13.628 -16.004 -0.766 1.00 0.00 H new ATOM 0 HB ILE A 50 15.257 -14.602 1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 50 13.999 -17.367 1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.693 -17.053 1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.239 -14.830 2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.944 -13.802 1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.351 -15.480 1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.358 -17.768 3.357 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.957 -16.094 3.302 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.237 -16.413 3.627 1.00 0.00 H new ATOM 742 N PRO A 51 12.658 -13.731 -1.215 1.00 0.00 N ATOM 743 CA PRO A 51 12.099 -12.455 -1.672 1.00 0.00 C ATOM 744 C PRO A 51 12.068 -11.406 -0.565 1.00 0.00 C ATOM 745 O PRO A 51 11.447 -11.609 0.478 1.00 0.00 O ATOM 746 CB PRO A 51 10.676 -12.823 -2.099 1.00 0.00 C ATOM 747 CG PRO A 51 10.344 -14.038 -1.302 1.00 0.00 C ATOM 748 CD PRO A 51 11.636 -14.788 -1.133 1.00 0.00 C ATOM 0 HA PRO A 51 12.696 -12.011 -2.468 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.978 -12.011 -1.893 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.623 -13.025 -3.169 1.00 0.00 H new ATOM 0 HG2 PRO A 51 9.921 -13.767 -0.335 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.602 -14.650 -1.814 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.675 -15.311 -0.177 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.770 -15.538 -1.913 1.00 0.00 H new ATOM 756 N ALA A 52 12.743 -10.285 -0.799 1.00 0.00 N ATOM 757 CA ALA A 52 12.790 -9.204 0.177 1.00 0.00 C ATOM 758 C ALA A 52 11.426 -8.987 0.822 1.00 0.00 C ATOM 759 O ALA A 52 11.332 -8.533 1.962 1.00 0.00 O ATOM 760 CB ALA A 52 13.276 -7.921 -0.480 1.00 0.00 C ATOM 0 H ALA A 52 13.265 -10.102 -1.656 1.00 0.00 H new ATOM 0 HA ALA A 52 13.492 -9.486 0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.306 -7.122 0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.275 -8.077 -0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.595 -7.644 -1.285 1.00 0.00 H new ATOM 766 N GLY A 53 10.369 -9.313 0.085 1.00 0.00 N ATOM 767 CA GLY A 53 9.023 -9.145 0.602 1.00 0.00 C ATOM 768 C GLY A 53 8.197 -8.187 -0.233 1.00 0.00 C ATOM 769 O GLY A 53 7.111 -7.774 0.176 1.00 0.00 O ATOM 0 H GLY A 53 10.420 -9.691 -0.861 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.526 -10.115 0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.074 -8.778 1.627 1.00 0.00 H new ATOM 773 N TYR A 54 8.710 -7.832 -1.405 1.00 0.00 N ATOM 774 CA TYR A 54 8.014 -6.913 -2.298 1.00 0.00 C ATOM 775 C TYR A 54 8.328 -7.228 -3.757 1.00 0.00 C ATOM 776 O TYR A 54 9.376 -7.794 -4.070 1.00 0.00 O ATOM 777 CB TYR A 54 8.404 -5.468 -1.981 1.00 0.00 C ATOM 778 CG TYR A 54 9.824 -5.125 -2.369 1.00 0.00 C ATOM 779 CD1 TYR A 54 10.892 -5.470 -1.549 1.00 0.00 C ATOM 780 CD2 TYR A 54 10.099 -4.455 -3.555 1.00 0.00 C ATOM 781 CE1 TYR A 54 12.191 -5.158 -1.899 1.00 0.00 C ATOM 782 CE2 TYR A 54 11.395 -4.140 -3.914 1.00 0.00 C ATOM 783 CZ TYR A 54 12.438 -4.494 -3.083 1.00 0.00 C ATOM 784 OH TYR A 54 13.731 -4.181 -3.436 1.00 0.00 O ATOM 0 H TYR A 54 9.606 -8.167 -1.759 1.00 0.00 H new ATOM 0 HA TYR A 54 6.942 -7.036 -2.142 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.722 -4.794 -2.500 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.275 -5.292 -0.913 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.703 -5.991 -0.622 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.285 -4.176 -4.208 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.009 -5.432 -1.249 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.591 -3.620 -4.840 1.00 0.00 H new ATOM 0 HH TYR A 54 14.346 -4.498 -2.741 1.00 0.00 H new ATOM 794 N CYS A 55 7.413 -6.857 -4.645 1.00 0.00 N ATOM 795 CA CYS A 55 7.591 -7.100 -6.073 1.00 0.00 C ATOM 796 C CYS A 55 7.047 -5.935 -6.894 1.00 0.00 C ATOM 797 O CYS A 55 6.105 -5.257 -6.481 1.00 0.00 O ATOM 798 CB CYS A 55 6.892 -8.397 -6.481 1.00 0.00 C ATOM 799 SG CYS A 55 5.088 -8.284 -6.523 1.00 0.00 S ATOM 0 H CYS A 55 6.541 -6.387 -4.402 1.00 0.00 H new ATOM 0 HA CYS A 55 8.659 -7.193 -6.271 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.249 -8.695 -7.467 1.00 0.00 H new ATOM 0 HB3 CYS A 55 7.180 -9.186 -5.786 1.00 0.00 H new ATOM 0 HG CYS A 55 4.715 -7.713 -7.630 1.00 0.00 H new ATOM 805 N PHE A 56 7.647 -5.707 -8.057 1.00 0.00 N ATOM 806 CA PHE A 56 7.225 -4.622 -8.936 1.00 0.00 C ATOM 807 C PHE A 56 6.284 -5.136 -10.021 1.00 0.00 C ATOM 808 O PHE A 56 6.433 -6.256 -10.509 1.00 0.00 O ATOM 809 CB PHE A 56 8.443 -3.953 -9.576 1.00 0.00 C ATOM 810 CG PHE A 56 9.287 -3.185 -8.600 1.00 0.00 C ATOM 811 CD1 PHE A 56 8.853 -1.971 -8.093 1.00 0.00 C ATOM 812 CD2 PHE A 56 10.516 -3.677 -8.189 1.00 0.00 C ATOM 813 CE1 PHE A 56 9.627 -1.262 -7.194 1.00 0.00 C ATOM 814 CE2 PHE A 56 11.294 -2.973 -7.291 1.00 0.00 C ATOM 815 CZ PHE A 56 10.850 -1.763 -6.793 1.00 0.00 C ATOM 0 H PHE A 56 8.427 -6.259 -8.413 1.00 0.00 H new ATOM 0 HA PHE A 56 6.690 -3.887 -8.334 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.058 -4.716 -10.054 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.105 -3.278 -10.362 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.898 -1.574 -8.404 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.869 -4.622 -8.575 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.276 -0.317 -6.806 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.249 -3.368 -6.978 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.458 -1.210 -6.092 1.00 0.00 H new ATOM 825 N VAL A 57 5.312 -4.309 -10.394 1.00 0.00 N ATOM 826 CA VAL A 57 4.346 -4.678 -11.422 1.00 0.00 C ATOM 827 C VAL A 57 4.268 -3.614 -12.511 1.00 0.00 C ATOM 828 O VAL A 57 4.167 -2.423 -12.221 1.00 0.00 O ATOM 829 CB VAL A 57 2.942 -4.888 -10.823 1.00 0.00 C ATOM 830 CG1 VAL A 57 2.732 -6.348 -10.452 1.00 0.00 C ATOM 831 CG2 VAL A 57 2.739 -3.987 -9.614 1.00 0.00 C ATOM 0 H VAL A 57 5.173 -3.379 -9.999 1.00 0.00 H new ATOM 0 HA VAL A 57 4.691 -5.615 -11.859 1.00 0.00 H new ATOM 0 HB VAL A 57 2.201 -4.620 -11.576 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.735 -6.477 -10.031 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.832 -6.968 -11.343 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.478 -6.647 -9.716 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.742 -4.148 -9.203 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.486 -4.222 -8.856 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.843 -2.945 -9.915 1.00 0.00 H new ATOM 841 N GLU A 58 4.316 -4.054 -13.764 1.00 0.00 N ATOM 842 CA GLU A 58 4.252 -3.138 -14.897 1.00 0.00 C ATOM 843 C GLU A 58 2.819 -3.003 -15.407 1.00 0.00 C ATOM 844 O GLU A 58 1.996 -3.899 -15.222 1.00 0.00 O ATOM 845 CB GLU A 58 5.163 -3.624 -16.027 1.00 0.00 C ATOM 846 CG GLU A 58 5.535 -2.535 -17.018 1.00 0.00 C ATOM 847 CD GLU A 58 6.829 -2.831 -17.751 1.00 0.00 C ATOM 848 OE1 GLU A 58 7.163 -4.024 -17.909 1.00 0.00 O ATOM 849 OE2 GLU A 58 7.508 -1.869 -18.168 1.00 0.00 O ATOM 0 H GLU A 58 4.399 -5.038 -14.020 1.00 0.00 H new ATOM 0 HA GLU A 58 4.594 -2.159 -14.560 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.074 -4.038 -15.595 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.666 -4.435 -16.560 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.730 -2.418 -17.743 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.629 -1.586 -16.491 1.00 0.00 H new ATOM 856 N PHE A 59 2.530 -1.876 -16.049 1.00 0.00 N ATOM 857 CA PHE A 59 1.197 -1.622 -16.584 1.00 0.00 C ATOM 858 C PHE A 59 1.277 -0.853 -17.900 1.00 0.00 C ATOM 859 O PHE A 59 2.351 -0.412 -18.309 1.00 0.00 O ATOM 860 CB PHE A 59 0.359 -0.838 -15.572 1.00 0.00 C ATOM 861 CG PHE A 59 -0.087 -1.661 -14.398 1.00 0.00 C ATOM 862 CD1 PHE A 59 0.734 -1.819 -13.293 1.00 0.00 C ATOM 863 CD2 PHE A 59 -1.328 -2.278 -14.399 1.00 0.00 C ATOM 864 CE1 PHE A 59 0.326 -2.575 -12.210 1.00 0.00 C ATOM 865 CE2 PHE A 59 -1.742 -3.035 -13.320 1.00 0.00 C ATOM 866 CZ PHE A 59 -0.913 -3.185 -12.224 1.00 0.00 C ATOM 0 H PHE A 59 3.200 -1.124 -16.211 1.00 0.00 H new ATOM 0 HA PHE A 59 0.719 -2.583 -16.773 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.940 0.011 -15.211 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.518 -0.432 -16.076 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.705 -1.346 -13.278 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.979 -2.166 -15.253 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.975 -2.688 -11.354 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.712 -3.509 -13.333 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.234 -3.778 -11.380 1.00 0.00 H new ATOM 876 N ALA A 60 0.133 -0.698 -18.557 1.00 0.00 N ATOM 877 CA ALA A 60 0.072 0.019 -19.825 1.00 0.00 C ATOM 878 C ALA A 60 0.796 1.358 -19.735 1.00 0.00 C ATOM 879 O ALA A 60 1.648 1.672 -20.566 1.00 0.00 O ATOM 880 CB ALA A 60 -1.375 0.226 -20.246 1.00 0.00 C ATOM 0 H ALA A 60 -0.764 -1.059 -18.233 1.00 0.00 H new ATOM 0 HA ALA A 60 0.575 -0.586 -20.580 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.405 0.763 -21.194 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.862 -0.742 -20.361 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.896 0.806 -19.484 1.00 0.00 H new ATOM 886 N ASP A 61 0.450 2.144 -18.721 1.00 0.00 N ATOM 887 CA ASP A 61 1.067 3.451 -18.522 1.00 0.00 C ATOM 888 C ASP A 61 0.835 3.950 -17.099 1.00 0.00 C ATOM 889 O ASP A 61 0.093 3.339 -16.329 1.00 0.00 O ATOM 890 CB ASP A 61 0.511 4.460 -19.527 1.00 0.00 C ATOM 891 CG ASP A 61 -0.979 4.293 -19.751 1.00 0.00 C ATOM 892 OD1 ASP A 61 -1.758 4.640 -18.838 1.00 0.00 O ATOM 893 OD2 ASP A 61 -1.367 3.816 -20.838 1.00 0.00 O ATOM 0 H ASP A 61 -0.254 1.899 -18.025 1.00 0.00 H new ATOM 0 HA ASP A 61 2.140 3.347 -18.681 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.711 5.471 -19.171 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.033 4.347 -20.477 1.00 0.00 H new ATOM 898 N LEU A 62 1.473 5.063 -16.757 1.00 0.00 N ATOM 899 CA LEU A 62 1.337 5.645 -15.426 1.00 0.00 C ATOM 900 C LEU A 62 -0.128 5.905 -15.093 1.00 0.00 C ATOM 901 O LEU A 62 -0.608 5.530 -14.023 1.00 0.00 O ATOM 902 CB LEU A 62 2.132 6.949 -15.334 1.00 0.00 C ATOM 903 CG LEU A 62 2.133 7.639 -13.970 1.00 0.00 C ATOM 904 CD1 LEU A 62 2.893 6.805 -12.950 1.00 0.00 C ATOM 905 CD2 LEU A 62 2.737 9.032 -14.077 1.00 0.00 C ATOM 0 H LEU A 62 2.090 5.581 -17.383 1.00 0.00 H new ATOM 0 HA LEU A 62 1.734 4.933 -14.703 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.165 6.742 -15.615 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.734 7.646 -16.071 1.00 0.00 H new ATOM 0 HG LEU A 62 1.101 7.736 -13.634 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.883 7.312 -11.985 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.418 5.829 -12.852 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.923 6.675 -13.281 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.729 9.508 -13.097 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.763 8.957 -14.436 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.151 9.630 -14.775 1.00 0.00 H new ATOM 917 N ALA A 63 -0.835 6.548 -16.017 1.00 0.00 N ATOM 918 CA ALA A 63 -2.247 6.854 -15.823 1.00 0.00 C ATOM 919 C ALA A 63 -3.006 5.639 -15.301 1.00 0.00 C ATOM 920 O ALA A 63 -3.591 5.676 -14.218 1.00 0.00 O ATOM 921 CB ALA A 63 -2.864 7.345 -17.124 1.00 0.00 C ATOM 0 H ALA A 63 -0.453 6.867 -16.907 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.322 7.645 -15.076 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.919 7.570 -16.964 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.347 8.246 -17.455 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.769 6.572 -17.886 1.00 0.00 H new ATOM 927 N THR A 64 -2.993 4.560 -16.079 1.00 0.00 N ATOM 928 CA THR A 64 -3.681 3.334 -15.696 1.00 0.00 C ATOM 929 C THR A 64 -3.199 2.833 -14.339 1.00 0.00 C ATOM 930 O THR A 64 -3.997 2.404 -13.506 1.00 0.00 O ATOM 931 CB THR A 64 -3.474 2.223 -16.743 1.00 0.00 C ATOM 932 OG1 THR A 64 -3.975 2.650 -18.015 1.00 0.00 O ATOM 933 CG2 THR A 64 -4.178 0.943 -16.319 1.00 0.00 C ATOM 0 H THR A 64 -2.513 4.511 -16.978 1.00 0.00 H new ATOM 0 HA THR A 64 -4.743 3.574 -15.636 1.00 0.00 H new ATOM 0 HB THR A 64 -2.406 2.022 -16.822 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.359 3.304 -18.407 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.018 0.173 -17.073 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.775 0.605 -15.364 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.246 1.133 -16.215 1.00 0.00 H new ATOM 941 N ALA A 65 -1.889 2.892 -14.123 1.00 0.00 N ATOM 942 CA ALA A 65 -1.302 2.447 -12.865 1.00 0.00 C ATOM 943 C ALA A 65 -1.952 3.147 -11.677 1.00 0.00 C ATOM 944 O ALA A 65 -2.319 2.507 -10.693 1.00 0.00 O ATOM 945 CB ALA A 65 0.200 2.693 -12.868 1.00 0.00 C ATOM 0 H ALA A 65 -1.214 3.243 -14.803 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.484 1.377 -12.766 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.626 2.356 -11.923 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.657 2.141 -13.689 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.394 3.758 -12.994 1.00 0.00 H new ATOM 951 N GLU A 66 -2.090 4.466 -11.777 1.00 0.00 N ATOM 952 CA GLU A 66 -2.695 5.252 -10.708 1.00 0.00 C ATOM 953 C GLU A 66 -4.089 4.731 -10.371 1.00 0.00 C ATOM 954 O GLU A 66 -4.324 4.216 -9.277 1.00 0.00 O ATOM 955 CB GLU A 66 -2.775 6.726 -11.112 1.00 0.00 C ATOM 956 CG GLU A 66 -1.549 7.532 -10.716 1.00 0.00 C ATOM 957 CD GLU A 66 -1.408 8.811 -11.519 1.00 0.00 C ATOM 958 OE1 GLU A 66 -2.277 9.697 -11.383 1.00 0.00 O ATOM 959 OE2 GLU A 66 -0.427 8.925 -12.284 1.00 0.00 O ATOM 0 H GLU A 66 -1.792 5.011 -12.586 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.066 5.158 -9.823 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.910 6.792 -12.192 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.657 7.173 -10.653 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.607 7.778 -9.656 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.657 6.921 -10.853 1.00 0.00 H new ATOM 966 N LYS A 67 -5.011 4.867 -11.318 1.00 0.00 N ATOM 967 CA LYS A 67 -6.382 4.410 -11.124 1.00 0.00 C ATOM 968 C LYS A 67 -6.410 2.961 -10.647 1.00 0.00 C ATOM 969 O LYS A 67 -7.197 2.601 -9.771 1.00 0.00 O ATOM 970 CB LYS A 67 -7.176 4.545 -12.425 1.00 0.00 C ATOM 971 CG LYS A 67 -7.146 5.946 -13.012 1.00 0.00 C ATOM 972 CD LYS A 67 -7.242 5.917 -14.529 1.00 0.00 C ATOM 973 CE LYS A 67 -8.689 5.892 -14.996 1.00 0.00 C ATOM 974 NZ LYS A 67 -9.260 7.263 -15.105 1.00 0.00 N ATOM 0 H LYS A 67 -4.833 5.291 -12.229 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.842 5.035 -10.359 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.778 3.844 -13.159 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.212 4.259 -12.240 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.972 6.530 -12.605 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.225 6.447 -12.714 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.740 6.792 -14.943 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.720 5.039 -14.911 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.750 5.395 -15.964 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.286 5.304 -14.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.247 7.203 -15.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.226 7.728 -14.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.706 7.816 -15.790 1.00 0.00 H new ATOM 988 N CYS A 68 -5.546 2.136 -11.227 1.00 0.00 N ATOM 989 CA CYS A 68 -5.471 0.726 -10.861 1.00 0.00 C ATOM 990 C CYS A 68 -4.813 0.553 -9.496 1.00 0.00 C ATOM 991 O CYS A 68 -4.901 -0.512 -8.882 1.00 0.00 O ATOM 992 CB CYS A 68 -4.692 -0.057 -11.919 1.00 0.00 C ATOM 993 SG CYS A 68 -5.692 -0.591 -13.327 1.00 0.00 S ATOM 0 H CYS A 68 -4.887 2.419 -11.953 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.487 0.336 -10.807 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.872 0.562 -12.283 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.245 -0.934 -11.451 1.00 0.00 H new ATOM 0 HG CYS A 68 -4.945 -1.243 -14.168 1.00 0.00 H new ATOM 999 N LEU A 69 -4.153 1.606 -9.026 1.00 0.00 N ATOM 1000 CA LEU A 69 -3.478 1.570 -7.733 1.00 0.00 C ATOM 1001 C LEU A 69 -4.382 2.116 -6.632 1.00 0.00 C ATOM 1002 O LEU A 69 -4.219 1.782 -5.458 1.00 0.00 O ATOM 1003 CB LEU A 69 -2.180 2.378 -7.791 1.00 0.00 C ATOM 1004 CG LEU A 69 -1.731 3.021 -6.478 1.00 0.00 C ATOM 1005 CD1 LEU A 69 -1.056 1.992 -5.584 1.00 0.00 C ATOM 1006 CD2 LEU A 69 -0.795 4.190 -6.750 1.00 0.00 C ATOM 0 H LEU A 69 -4.071 2.494 -9.520 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.242 0.531 -7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.383 1.723 -8.143 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.298 3.165 -8.536 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.612 3.400 -5.960 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.743 2.467 -4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.757 1.187 -5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.184 1.583 -6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.485 4.636 -5.805 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.083 3.835 -7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.312 4.938 -7.352 1.00 0.00 H new ATOM 1018 N HIS A 70 -5.336 2.957 -7.019 1.00 0.00 N ATOM 1019 CA HIS A 70 -6.268 3.547 -6.064 1.00 0.00 C ATOM 1020 C HIS A 70 -7.509 2.674 -5.907 1.00 0.00 C ATOM 1021 O HIS A 70 -8.292 2.852 -4.974 1.00 0.00 O ATOM 1022 CB HIS A 70 -6.671 4.951 -6.515 1.00 0.00 C ATOM 1023 CG HIS A 70 -5.576 5.963 -6.376 1.00 0.00 C ATOM 1024 ND1 HIS A 70 -4.696 6.447 -7.284 1.00 0.00 N flip ATOM 1025 CD2 HIS A 70 -5.285 6.598 -5.187 1.00 0.00 C flip ATOM 1026 CE1 HIS A 70 -3.900 7.357 -6.634 1.00 0.00 C flip ATOM 1027 NE2 HIS A 70 -4.276 7.430 -5.370 1.00 0.00 N flip ATOM 0 H HIS A 70 -5.484 3.245 -7.986 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.768 3.614 -5.098 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.988 4.912 -7.557 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.532 5.278 -5.932 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -4.636 6.184 -8.268 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.802 6.440 -4.252 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.097 7.922 -7.083 1.00 0.00 H new ATOM 1035 N LYS A 71 -7.684 1.730 -6.826 1.00 0.00 N ATOM 1036 CA LYS A 71 -8.829 0.829 -6.790 1.00 0.00 C ATOM 1037 C LYS A 71 -8.556 -0.362 -5.877 1.00 0.00 C ATOM 1038 O LYS A 71 -9.483 -1.038 -5.430 1.00 0.00 O ATOM 1039 CB LYS A 71 -9.163 0.338 -8.200 1.00 0.00 C ATOM 1040 CG LYS A 71 -8.021 -0.405 -8.872 1.00 0.00 C ATOM 1041 CD LYS A 71 -8.039 -1.885 -8.527 1.00 0.00 C ATOM 1042 CE LYS A 71 -9.252 -2.581 -9.124 1.00 0.00 C ATOM 1043 NZ LYS A 71 -9.421 -2.260 -10.568 1.00 0.00 N ATOM 0 H LYS A 71 -7.046 1.569 -7.606 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.681 1.381 -6.393 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.033 -0.317 -8.151 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.442 1.192 -8.817 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.091 -0.282 -9.953 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.071 0.030 -8.563 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.129 -2.357 -8.897 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.044 -2.007 -7.444 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.149 -3.659 -9.001 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.147 -2.282 -8.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.903 -3.049 -11.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.991 -1.395 -10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.488 -2.111 -11.002 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.280 -0.612 -5.604 1.00 0.00 N ATOM 1058 CA ILE A 72 -6.886 -1.719 -4.742 1.00 0.00 C ATOM 1059 C ILE A 72 -6.116 -1.221 -3.524 1.00 0.00 C ATOM 1060 O ILE A 72 -5.862 -1.976 -2.586 1.00 0.00 O ATOM 1061 CB ILE A 72 -6.019 -2.742 -5.500 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -5.227 -2.048 -6.610 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -6.888 -3.850 -6.076 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -4.506 -3.009 -7.529 1.00 0.00 C ATOM 0 H ILE A 72 -6.501 -0.063 -5.967 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.805 -2.205 -4.414 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.313 -3.188 -4.799 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.907 -1.434 -7.201 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.499 -1.374 -6.159 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.261 -4.565 -6.609 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.412 -4.359 -5.267 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.615 -3.421 -6.766 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.966 -2.447 -8.291 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.801 -3.606 -6.950 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.231 -3.667 -8.009 1.00 0.00 H new ATOM 1076 N ASN A 73 -5.750 0.056 -3.544 1.00 0.00 N ATOM 1077 CA ASN A 73 -5.010 0.656 -2.440 1.00 0.00 C ATOM 1078 C ASN A 73 -5.856 0.688 -1.171 1.00 0.00 C ATOM 1079 O ASN A 73 -6.450 1.712 -0.834 1.00 0.00 O ATOM 1080 CB ASN A 73 -4.566 2.074 -2.806 1.00 0.00 C ATOM 1081 CG ASN A 73 -4.342 2.944 -1.584 1.00 0.00 C ATOM 1082 OD1 ASN A 73 -5.163 3.801 -1.259 1.00 0.00 O ATOM 1083 ND2 ASN A 73 -3.224 2.727 -0.902 1.00 0.00 N ATOM 0 H ASN A 73 -5.954 0.695 -4.312 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.128 0.043 -2.252 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.645 2.025 -3.387 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.321 2.535 -3.443 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.017 3.282 -0.072 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.572 2.005 -1.208 1.00 0.00 H new ATOM 1090 N GLY A 74 -5.907 -0.441 -0.471 1.00 0.00 N ATOM 1091 CA GLY A 74 -6.683 -0.521 0.753 1.00 0.00 C ATOM 1092 C GLY A 74 -7.659 -1.681 0.746 1.00 0.00 C ATOM 1093 O GLY A 74 -8.304 -1.966 1.755 1.00 0.00 O ATOM 0 H GLY A 74 -5.425 -1.302 -0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.007 -0.624 1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.231 0.410 0.893 1.00 0.00 H new ATOM 1097 N LYS A 75 -7.770 -2.351 -0.396 1.00 0.00 N ATOM 1098 CA LYS A 75 -8.675 -3.486 -0.532 1.00 0.00 C ATOM 1099 C LYS A 75 -8.002 -4.777 -0.076 1.00 0.00 C ATOM 1100 O LYS A 75 -6.777 -4.904 -0.088 1.00 0.00 O ATOM 1101 CB LYS A 75 -9.137 -3.625 -1.984 1.00 0.00 C ATOM 1102 CG LYS A 75 -10.082 -2.523 -2.430 1.00 0.00 C ATOM 1103 CD LYS A 75 -11.451 -2.668 -1.787 1.00 0.00 C ATOM 1104 CE LYS A 75 -12.378 -3.523 -2.636 1.00 0.00 C ATOM 1105 NZ LYS A 75 -12.286 -4.966 -2.277 1.00 0.00 N ATOM 0 H LYS A 75 -7.244 -2.127 -1.241 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.542 -3.305 0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.263 -3.629 -2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.631 -4.588 -2.108 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.658 -1.553 -2.171 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.184 -2.547 -3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.344 -3.116 -0.799 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.893 -1.682 -1.644 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.405 -3.182 -2.508 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.128 -3.394 -3.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.908 -5.519 -2.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.304 -5.290 -2.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.582 -5.097 -1.289 1.00 0.00 H new ATOM 1119 N PRO A 76 -8.818 -5.758 0.334 1.00 0.00 N ATOM 1120 CA PRO A 76 -8.323 -7.057 0.800 1.00 0.00 C ATOM 1121 C PRO A 76 -7.730 -7.890 -0.331 1.00 0.00 C ATOM 1122 O PRO A 76 -8.326 -8.018 -1.401 1.00 0.00 O ATOM 1123 CB PRO A 76 -9.576 -7.734 1.361 1.00 0.00 C ATOM 1124 CG PRO A 76 -10.709 -7.096 0.635 1.00 0.00 C ATOM 1125 CD PRO A 76 -10.288 -5.676 0.375 1.00 0.00 C ATOM 0 HA PRO A 76 -7.518 -6.949 1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.554 -8.811 1.192 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.660 -7.582 2.437 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.918 -7.618 -0.299 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.622 -7.130 1.230 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.696 -5.301 -0.564 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.631 -5.005 1.162 1.00 0.00 H new ATOM 1133 N LEU A 77 -6.552 -8.456 -0.088 1.00 0.00 N ATOM 1134 CA LEU A 77 -5.878 -9.278 -1.087 1.00 0.00 C ATOM 1135 C LEU A 77 -6.473 -10.682 -1.128 1.00 0.00 C ATOM 1136 O LEU A 77 -6.526 -11.390 -0.122 1.00 0.00 O ATOM 1137 CB LEU A 77 -4.380 -9.355 -0.785 1.00 0.00 C ATOM 1138 CG LEU A 77 -3.632 -10.539 -1.399 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -3.715 -10.493 -2.917 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -2.180 -10.547 -0.943 1.00 0.00 C ATOM 0 H LEU A 77 -6.045 -8.361 0.792 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.023 -8.814 -2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.912 -8.435 -1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.249 -9.389 0.297 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.105 -11.460 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.177 -11.343 -3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.759 -10.536 -3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.268 -9.567 -3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.663 -11.396 -1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.695 -9.622 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.140 -10.628 0.143 1.00 0.00 H new ATOM 1152 N PRO A 78 -6.930 -11.097 -2.319 1.00 0.00 N ATOM 1153 CA PRO A 78 -7.526 -12.421 -2.521 1.00 0.00 C ATOM 1154 C PRO A 78 -6.498 -13.542 -2.415 1.00 0.00 C ATOM 1155 O PRO A 78 -5.325 -13.354 -2.733 1.00 0.00 O ATOM 1156 CB PRO A 78 -8.089 -12.343 -3.942 1.00 0.00 C ATOM 1157 CG PRO A 78 -7.261 -11.308 -4.621 1.00 0.00 C ATOM 1158 CD PRO A 78 -6.899 -10.305 -3.560 1.00 0.00 C ATOM 0 HA PRO A 78 -8.275 -12.651 -1.763 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -8.016 -13.305 -4.450 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.143 -12.065 -3.936 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.367 -11.750 -5.061 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.815 -10.835 -5.432 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.915 -9.871 -3.736 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.610 -9.479 -3.528 1.00 0.00 H new ATOM 1166 N GLY A 79 -6.948 -14.710 -1.966 1.00 0.00 N ATOM 1167 CA GLY A 79 -6.053 -15.845 -1.827 1.00 0.00 C ATOM 1168 C GLY A 79 -5.220 -15.774 -0.562 1.00 0.00 C ATOM 1169 O GLY A 79 -5.043 -16.777 0.129 1.00 0.00 O ATOM 0 H GLY A 79 -7.915 -14.891 -1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.636 -16.766 -1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.391 -15.890 -2.692 1.00 0.00 H new ATOM 1173 N ALA A 80 -4.706 -14.587 -0.260 1.00 0.00 N ATOM 1174 CA ALA A 80 -3.887 -14.390 0.930 1.00 0.00 C ATOM 1175 C ALA A 80 -4.355 -15.284 2.073 1.00 0.00 C ATOM 1176 O ALA A 80 -5.554 -15.412 2.325 1.00 0.00 O ATOM 1177 CB ALA A 80 -3.915 -12.929 1.354 1.00 0.00 C ATOM 0 H ALA A 80 -4.842 -13.747 -0.823 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.861 -14.666 0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.299 -12.796 2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.525 -12.308 0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.941 -12.634 1.575 1.00 0.00 H new ATOM 1183 N THR A 81 -3.402 -15.903 2.763 1.00 0.00 N ATOM 1184 CA THR A 81 -3.717 -16.787 3.878 1.00 0.00 C ATOM 1185 C THR A 81 -2.910 -16.417 5.118 1.00 0.00 C ATOM 1186 O THR A 81 -1.681 -16.348 5.091 1.00 0.00 O ATOM 1187 CB THR A 81 -3.442 -18.260 3.522 1.00 0.00 C ATOM 1188 OG1 THR A 81 -4.055 -18.584 2.269 1.00 0.00 O ATOM 1189 CG2 THR A 81 -3.971 -19.187 4.606 1.00 0.00 C ATOM 0 H THR A 81 -2.405 -15.808 2.569 1.00 0.00 H new ATOM 0 HA THR A 81 -4.779 -16.664 4.089 1.00 0.00 H new ATOM 0 HB THR A 81 -2.363 -18.397 3.444 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.874 -19.522 2.049 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.765 -20.222 4.332 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.481 -18.958 5.552 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.047 -19.047 4.712 1.00 0.00 H new ATOM 1197 N PRO A 82 -3.616 -16.174 6.232 1.00 0.00 N ATOM 1198 CA PRO A 82 -5.079 -16.252 6.276 1.00 0.00 C ATOM 1199 C PRO A 82 -5.744 -15.126 5.492 1.00 0.00 C ATOM 1200 O PRO A 82 -6.637 -15.366 4.680 1.00 0.00 O ATOM 1201 CB PRO A 82 -5.396 -16.125 7.768 1.00 0.00 C ATOM 1202 CG PRO A 82 -4.238 -15.382 8.340 1.00 0.00 C ATOM 1203 CD PRO A 82 -3.039 -15.802 7.535 1.00 0.00 C ATOM 0 HA PRO A 82 -5.452 -17.171 5.824 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.330 -15.587 7.930 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.507 -17.104 8.234 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.394 -14.305 8.275 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.103 -15.621 9.395 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.316 -14.992 7.438 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.518 -16.640 7.998 1.00 0.00 H new ATOM 1211 N ALA A 83 -5.302 -13.898 5.740 1.00 0.00 N ATOM 1212 CA ALA A 83 -5.853 -12.735 5.055 1.00 0.00 C ATOM 1213 C ALA A 83 -4.915 -11.538 5.164 1.00 0.00 C ATOM 1214 O ALA A 83 -4.321 -11.295 6.215 1.00 0.00 O ATOM 1215 CB ALA A 83 -7.222 -12.388 5.622 1.00 0.00 C ATOM 0 H ALA A 83 -4.564 -13.682 6.410 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.961 -12.984 3.999 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.622 -11.518 5.101 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.897 -13.233 5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.130 -12.164 6.685 1.00 0.00 H new ATOM 1221 N LYS A 84 -4.785 -10.793 4.072 1.00 0.00 N ATOM 1222 CA LYS A 84 -3.919 -9.620 4.044 1.00 0.00 C ATOM 1223 C LYS A 84 -4.542 -8.504 3.210 1.00 0.00 C ATOM 1224 O LYS A 84 -5.494 -8.731 2.464 1.00 0.00 O ATOM 1225 CB LYS A 84 -2.546 -9.988 3.478 1.00 0.00 C ATOM 1226 CG LYS A 84 -1.562 -10.464 4.533 1.00 0.00 C ATOM 1227 CD LYS A 84 -0.206 -10.784 3.926 1.00 0.00 C ATOM 1228 CE LYS A 84 0.699 -11.490 4.925 1.00 0.00 C ATOM 1229 NZ LYS A 84 1.455 -10.524 5.769 1.00 0.00 N ATOM 0 H LYS A 84 -5.269 -10.981 3.194 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.800 -9.262 5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.669 -10.770 2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.128 -9.120 2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.447 -9.696 5.298 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.958 -11.350 5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.339 -11.413 3.046 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.270 -9.863 3.590 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.099 -12.138 5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.400 -12.131 4.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.060 -11.045 6.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.047 -9.922 5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.787 -9.929 6.299 1.00 0.00 H new ATOM 1243 N ARG A 85 -3.997 -7.299 3.341 1.00 0.00 N ATOM 1244 CA ARG A 85 -4.498 -6.149 2.600 1.00 0.00 C ATOM 1245 C ARG A 85 -3.600 -5.837 1.407 1.00 0.00 C ATOM 1246 O ARG A 85 -2.432 -6.225 1.378 1.00 0.00 O ATOM 1247 CB ARG A 85 -4.591 -4.926 3.515 1.00 0.00 C ATOM 1248 CG ARG A 85 -5.393 -3.780 2.920 1.00 0.00 C ATOM 1249 CD ARG A 85 -4.503 -2.823 2.142 1.00 0.00 C ATOM 1250 NE ARG A 85 -3.986 -1.748 2.985 1.00 0.00 N ATOM 1251 CZ ARG A 85 -3.463 -0.625 2.506 1.00 0.00 C ATOM 1252 NH1 ARG A 85 -3.388 -0.431 1.196 1.00 0.00 N ATOM 1253 NH2 ARG A 85 -3.013 0.306 3.337 1.00 0.00 N ATOM 0 H ARG A 85 -3.208 -7.094 3.954 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.493 -6.394 2.229 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.045 -5.224 4.460 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.584 -4.575 3.741 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.165 -4.178 2.261 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.902 -3.238 3.717 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.670 -3.375 1.707 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.068 -2.395 1.314 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.029 -1.866 3.997 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.732 -1.145 0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.986 0.432 0.830 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.068 0.160 4.345 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.612 1.168 2.968 1.00 0.00 H new ATOM 1267 N PHE A 86 -4.153 -5.134 0.423 1.00 0.00 N ATOM 1268 CA PHE A 86 -3.403 -4.772 -0.773 1.00 0.00 C ATOM 1269 C PHE A 86 -2.484 -3.585 -0.500 1.00 0.00 C ATOM 1270 O PHE A 86 -2.924 -2.435 -0.484 1.00 0.00 O ATOM 1271 CB PHE A 86 -4.360 -4.438 -1.919 1.00 0.00 C ATOM 1272 CG PHE A 86 -4.644 -5.604 -2.822 1.00 0.00 C ATOM 1273 CD1 PHE A 86 -3.612 -6.265 -3.467 1.00 0.00 C ATOM 1274 CD2 PHE A 86 -5.944 -6.039 -3.025 1.00 0.00 C ATOM 1275 CE1 PHE A 86 -3.871 -7.338 -4.299 1.00 0.00 C ATOM 1276 CE2 PHE A 86 -6.209 -7.111 -3.856 1.00 0.00 C ATOM 1277 CZ PHE A 86 -5.171 -7.762 -4.493 1.00 0.00 C ATOM 0 H PHE A 86 -5.118 -4.804 0.431 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.789 -5.626 -1.059 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.299 -4.074 -1.503 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.937 -3.626 -2.510 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.593 -5.938 -3.318 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.759 -5.534 -2.528 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.057 -7.844 -4.797 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.227 -7.439 -4.007 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.375 -8.601 -5.142 1.00 0.00 H new ATOM 1287 N LYS A 87 -1.205 -3.871 -0.285 1.00 0.00 N ATOM 1288 CA LYS A 87 -0.222 -2.829 -0.012 1.00 0.00 C ATOM 1289 C LYS A 87 0.463 -2.378 -1.299 1.00 0.00 C ATOM 1290 O LYS A 87 1.391 -3.029 -1.781 1.00 0.00 O ATOM 1291 CB LYS A 87 0.824 -3.334 0.984 1.00 0.00 C ATOM 1292 CG LYS A 87 1.413 -2.238 1.855 1.00 0.00 C ATOM 1293 CD LYS A 87 0.613 -2.050 3.133 1.00 0.00 C ATOM 1294 CE LYS A 87 0.944 -0.729 3.810 1.00 0.00 C ATOM 1295 NZ LYS A 87 0.471 -0.695 5.222 1.00 0.00 N ATOM 0 H LYS A 87 -0.824 -4.817 -0.294 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.744 -1.976 0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.369 -4.090 1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.629 -3.823 0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.445 -2.485 2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.435 -1.302 1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.452 -2.086 2.905 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.820 -2.873 3.817 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.022 -0.568 3.784 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.486 0.089 3.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.716 0.222 5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.561 -0.823 5.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.927 -1.459 5.759 1.00 0.00 H new ATOM 1309 N LEU A 88 0.001 -1.260 -1.848 1.00 0.00 N ATOM 1310 CA LEU A 88 0.570 -0.721 -3.078 1.00 0.00 C ATOM 1311 C LEU A 88 0.979 0.737 -2.895 1.00 0.00 C ATOM 1312 O LEU A 88 0.375 1.468 -2.111 1.00 0.00 O ATOM 1313 CB LEU A 88 -0.436 -0.840 -4.224 1.00 0.00 C ATOM 1314 CG LEU A 88 -1.190 -2.167 -4.320 1.00 0.00 C ATOM 1315 CD1 LEU A 88 -2.239 -2.107 -5.419 1.00 0.00 C ATOM 1316 CD2 LEU A 88 -0.222 -3.315 -4.566 1.00 0.00 C ATOM 0 H LEU A 88 -0.766 -0.709 -1.461 1.00 0.00 H new ATOM 0 HA LEU A 88 1.460 -1.301 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.166 -0.037 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.092 -0.677 -5.163 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.697 -2.343 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.765 -3.060 -5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.951 -1.311 -5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.754 -1.906 -6.374 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.777 -4.251 -4.631 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.314 -3.145 -5.500 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.491 -3.372 -3.743 1.00 0.00 H new ATOM 1328 N ASN A 89 2.008 1.155 -3.626 1.00 0.00 N ATOM 1329 CA ASN A 89 2.496 2.526 -3.545 1.00 0.00 C ATOM 1330 C ASN A 89 3.203 2.929 -4.836 1.00 0.00 C ATOM 1331 O ASN A 89 3.409 2.104 -5.727 1.00 0.00 O ATOM 1332 CB ASN A 89 3.450 2.681 -2.359 1.00 0.00 C ATOM 1333 CG ASN A 89 2.729 3.087 -1.087 1.00 0.00 C ATOM 1334 OD1 ASN A 89 1.746 3.826 -1.127 1.00 0.00 O ATOM 1335 ND2 ASN A 89 3.217 2.603 0.049 1.00 0.00 N ATOM 0 H ASN A 89 2.519 0.563 -4.281 1.00 0.00 H new ATOM 0 HA ASN A 89 1.638 3.182 -3.401 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.974 1.740 -2.192 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.206 3.428 -2.599 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.774 2.841 0.937 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.035 1.993 0.034 1.00 0.00 H new ATOM 1342 N TYR A 90 3.574 4.201 -4.929 1.00 0.00 N ATOM 1343 CA TYR A 90 4.256 4.714 -6.111 1.00 0.00 C ATOM 1344 C TYR A 90 5.643 4.092 -6.252 1.00 0.00 C ATOM 1345 O TYR A 90 6.326 3.840 -5.260 1.00 0.00 O ATOM 1346 CB TYR A 90 4.373 6.237 -6.038 1.00 0.00 C ATOM 1347 CG TYR A 90 3.088 6.959 -6.372 1.00 0.00 C ATOM 1348 CD1 TYR A 90 2.320 6.582 -7.467 1.00 0.00 C ATOM 1349 CD2 TYR A 90 2.641 8.020 -5.594 1.00 0.00 C ATOM 1350 CE1 TYR A 90 1.145 7.239 -7.777 1.00 0.00 C ATOM 1351 CE2 TYR A 90 1.467 8.683 -5.896 1.00 0.00 C ATOM 1352 CZ TYR A 90 0.723 8.288 -6.988 1.00 0.00 C ATOM 1353 OH TYR A 90 -0.447 8.947 -7.292 1.00 0.00 O ATOM 0 H TYR A 90 3.414 4.896 -4.200 1.00 0.00 H new ATOM 0 HA TYR A 90 3.665 4.444 -6.986 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.689 6.521 -5.034 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.154 6.566 -6.723 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.648 5.761 -8.087 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.221 8.332 -4.738 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.561 6.933 -8.632 1.00 0.00 H new ATOM 0 HE2 TYR A 90 1.134 9.506 -5.281 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.601 9.659 -6.637 1.00 0.00 H new ATOM 1363 N ALA A 91 6.051 3.849 -7.493 1.00 0.00 N ATOM 1364 CA ALA A 91 7.356 3.260 -7.766 1.00 0.00 C ATOM 1365 C ALA A 91 8.478 4.121 -7.193 1.00 0.00 C ATOM 1366 O ALA A 91 9.613 3.666 -7.051 1.00 0.00 O ATOM 1367 CB ALA A 91 7.547 3.070 -9.264 1.00 0.00 C ATOM 0 H ALA A 91 5.497 4.051 -8.325 1.00 0.00 H new ATOM 0 HA ALA A 91 7.396 2.286 -7.279 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.526 2.629 -9.453 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.771 2.408 -9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.481 4.036 -9.765 1.00 0.00 H new ATOM 1373 N THR A 92 8.152 5.367 -6.866 1.00 0.00 N ATOM 1374 CA THR A 92 9.132 6.292 -6.310 1.00 0.00 C ATOM 1375 C THR A 92 10.021 5.600 -5.283 1.00 0.00 C ATOM 1376 O THR A 92 11.173 5.985 -5.085 1.00 0.00 O ATOM 1377 CB THR A 92 8.449 7.504 -5.648 1.00 0.00 C ATOM 1378 OG1 THR A 92 9.434 8.460 -5.242 1.00 0.00 O ATOM 1379 CG2 THR A 92 7.629 7.070 -4.443 1.00 0.00 C ATOM 0 H THR A 92 7.217 5.759 -6.976 1.00 0.00 H new ATOM 0 HA THR A 92 9.745 6.640 -7.141 1.00 0.00 H new ATOM 0 HB THR A 92 7.780 7.960 -6.378 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.992 9.228 -4.824 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.156 7.942 -3.992 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.861 6.364 -4.760 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.281 6.592 -3.712 1.00 0.00 H new ATOM 1387 N TYR A 93 9.478 4.577 -4.633 1.00 0.00 N ATOM 1388 CA TYR A 93 10.222 3.832 -3.624 1.00 0.00 C ATOM 1389 C TYR A 93 11.602 3.439 -4.143 1.00 0.00 C ATOM 1390 O TYR A 93 11.723 2.730 -5.142 1.00 0.00 O ATOM 1391 CB TYR A 93 9.446 2.581 -3.209 1.00 0.00 C ATOM 1392 CG TYR A 93 8.522 2.803 -2.033 1.00 0.00 C ATOM 1393 CD1 TYR A 93 7.836 4.001 -1.880 1.00 0.00 C ATOM 1394 CD2 TYR A 93 8.336 1.815 -1.074 1.00 0.00 C ATOM 1395 CE1 TYR A 93 6.991 4.209 -0.807 1.00 0.00 C ATOM 1396 CE2 TYR A 93 7.492 2.013 0.002 1.00 0.00 C ATOM 1397 CZ TYR A 93 6.823 3.212 0.132 1.00 0.00 C ATOM 1398 OH TYR A 93 5.982 3.414 1.202 1.00 0.00 O ATOM 0 H TYR A 93 8.526 4.245 -4.786 1.00 0.00 H new ATOM 0 HA TYR A 93 10.351 4.477 -2.755 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.861 2.228 -4.058 1.00 0.00 H new ATOM 0 HB3 TYR A 93 10.154 1.791 -2.960 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.965 4.784 -2.613 1.00 0.00 H new ATOM 0 HD2 TYR A 93 8.860 0.876 -1.171 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.465 5.147 -0.704 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.357 1.233 0.737 1.00 0.00 H new ATOM 0 HH TYR A 93 5.975 2.614 1.768 1.00 0.00 H new ATOM 1408 N SER A 94 12.640 3.906 -3.457 1.00 0.00 N ATOM 1409 CA SER A 94 14.012 3.607 -3.849 1.00 0.00 C ATOM 1410 C SER A 94 14.919 3.516 -2.626 1.00 0.00 C ATOM 1411 O SER A 94 15.156 4.510 -1.940 1.00 0.00 O ATOM 1412 CB SER A 94 14.535 4.678 -4.808 1.00 0.00 C ATOM 1413 OG SER A 94 14.777 5.898 -4.127 1.00 0.00 O ATOM 0 H SER A 94 12.557 4.493 -2.627 1.00 0.00 H new ATOM 0 HA SER A 94 14.017 2.642 -4.356 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.455 4.332 -5.278 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.811 4.841 -5.606 1.00 0.00 H new ATOM 0 HG SER A 94 14.716 5.750 -3.160 1.00 0.00 H new ATOM 1419 N GLY A 95 15.425 2.316 -2.359 1.00 0.00 N ATOM 1420 CA GLY A 95 16.300 2.116 -1.219 1.00 0.00 C ATOM 1421 C GLY A 95 17.737 2.493 -1.518 1.00 0.00 C ATOM 1422 O GLY A 95 18.024 3.238 -2.456 1.00 0.00 O ATOM 0 H GLY A 95 15.244 1.478 -2.912 1.00 0.00 H new ATOM 0 HA2 GLY A 95 15.939 2.710 -0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.258 1.071 -0.912 1.00 0.00 H new ATOM 1426 N PRO A 96 18.671 1.973 -0.708 1.00 0.00 N ATOM 1427 CA PRO A 96 20.102 2.247 -0.870 1.00 0.00 C ATOM 1428 C PRO A 96 20.680 1.590 -2.119 1.00 0.00 C ATOM 1429 O PRO A 96 20.501 0.393 -2.341 1.00 0.00 O ATOM 1430 CB PRO A 96 20.724 1.641 0.390 1.00 0.00 C ATOM 1431 CG PRO A 96 19.768 0.580 0.812 1.00 0.00 C ATOM 1432 CD PRO A 96 18.402 1.078 0.430 1.00 0.00 C ATOM 0 HA PRO A 96 20.302 3.312 -0.991 1.00 0.00 H new ATOM 0 HB2 PRO A 96 21.711 1.226 0.184 1.00 0.00 H new ATOM 0 HB3 PRO A 96 20.851 2.392 1.169 1.00 0.00 H new ATOM 0 HG2 PRO A 96 19.991 -0.365 0.318 1.00 0.00 H new ATOM 0 HG3 PRO A 96 19.832 0.401 1.885 1.00 0.00 H new ATOM 0 HD2 PRO A 96 17.740 0.259 0.149 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.923 1.608 1.253 1.00 0.00 H new ATOM 1440 N SER A 97 21.374 2.381 -2.931 1.00 0.00 N ATOM 1441 CA SER A 97 21.975 1.876 -4.160 1.00 0.00 C ATOM 1442 C SER A 97 23.420 2.347 -4.290 1.00 0.00 C ATOM 1443 O SER A 97 23.683 3.535 -4.476 1.00 0.00 O ATOM 1444 CB SER A 97 21.166 2.334 -5.374 1.00 0.00 C ATOM 1445 OG SER A 97 21.545 1.620 -6.538 1.00 0.00 O ATOM 0 H SER A 97 21.534 3.374 -2.760 1.00 0.00 H new ATOM 0 HA SER A 97 21.968 0.787 -4.118 1.00 0.00 H new ATOM 0 HB2 SER A 97 20.103 2.187 -5.183 1.00 0.00 H new ATOM 0 HB3 SER A 97 21.316 3.402 -5.533 1.00 0.00 H new ATOM 0 HG SER A 97 21.012 1.930 -7.300 1.00 0.00 H new ATOM 1451 N SER A 98 24.354 1.406 -4.192 1.00 0.00 N ATOM 1452 CA SER A 98 25.774 1.724 -4.295 1.00 0.00 C ATOM 1453 C SER A 98 26.563 0.524 -4.807 1.00 0.00 C ATOM 1454 O SER A 98 26.655 -0.505 -4.139 1.00 0.00 O ATOM 1455 CB SER A 98 26.319 2.166 -2.936 1.00 0.00 C ATOM 1456 OG SER A 98 27.736 2.152 -2.926 1.00 0.00 O ATOM 0 H SER A 98 24.153 0.417 -4.041 1.00 0.00 H new ATOM 0 HA SER A 98 25.888 2.542 -5.007 1.00 0.00 H new ATOM 0 HB2 SER A 98 25.960 3.169 -2.706 1.00 0.00 H new ATOM 0 HB3 SER A 98 25.940 1.505 -2.156 1.00 0.00 H new ATOM 0 HG SER A 98 28.060 2.440 -2.047 1.00 0.00 H new ATOM 1462 N GLY A 99 27.133 0.664 -6.001 1.00 0.00 N ATOM 1463 CA GLY A 99 27.908 -0.416 -6.584 1.00 0.00 C ATOM 1464 C GLY A 99 28.990 0.086 -7.519 1.00 0.00 C ATOM 1465 O GLY A 99 30.171 0.076 -7.175 1.00 0.00 O ATOM 0 H GLY A 99 27.072 1.506 -6.574 1.00 0.00 H new ATOM 0 HA2 GLY A 99 28.364 -1.003 -5.787 1.00 0.00 H new ATOM 0 HA3 GLY A 99 27.242 -1.084 -7.130 1.00 0.00 H new TER 1469 GLY A 99