USER MOD reduce.3.24.130724 H: found=0, std=0, add=1312, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1330 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 23 HIS : no HD1:sc= -0.482 K(o=-1.6,f=-2.9) USER MOD Set 1.2: A 161 GLN : amide:sc= -1.13 K(o=-1.6,f=-5.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.345 X(o=-0.34,f=-0.5) USER MOD Single : A 7 MET CE :methyl -165:sc= -0.0953 (180deg=-0.477) USER MOD Single : A 8 THR OG1 : rot 52:sc= 0.927 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0176 X(o=-0.018,f=-0.2) USER MOD Single : A 16 GLN : amide:sc= -0.245 X(o=-0.24,f=-0.037) USER MOD Single : A 17 THR OG1 : rot 78:sc= 1.06 USER MOD Single : A 19 GLN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 20 GLN : amide:sc= -0.0257 X(o=-0.026,f=-0.45) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 150:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.097 X(o=-0.097,f=-0.32) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.0829 K(o=0.083,f=-1.6!) USER MOD Single : A 59 SER OG : rot -18:sc= 1.15 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.327 X(o=0.33,f=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= -0.747 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.0341) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0173 X(o=-0.017,f=-0.46) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -1.2 K(o=-1.2,f=-1.8) USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.492 F(o=-1.3,f=-0.49) USER MOD Single : A 109 THR OG1 : rot 13:sc= 0.106 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -0.0041 X(o=-0.0041,f=0) USER MOD Single : A 119 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.004) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 33:sc= -0.788 USER MOD Single : A 140 GLN : amide:sc= -0.348 K(o=-0.35,f=-3.4!) USER MOD Single : A 141 MET CE :methyl -170:sc= -0.502 (180deg=-1.07) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD Single : A 149 ASN : amide:sc= -0.0106 X(o=-0.011,f=-0.23) USER MOD Single : A 150 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 152 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.015) USER MOD Single : A 154 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 MET CE :methyl 169:sc= -2.41! (180deg=-3.03!) USER MOD Single : A 165 HIS : no HD1:sc= -0.703 K(o=-0.7,f=-1.7!) USER MOD Single : A 166 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 167 HIS :FLIP no HE2:sc= -0.0389 F(o=-0.75,f=-0.039) USER MOD Single : A 168 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 169 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.37) USER MOD Single : A 170 HIS : no HD1:sc= -0.0329 X(o=-0.033,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.391 -44.753 1.949 1.00 0.00 N ATOM 2 CA MET A 1 -9.124 -45.424 3.248 1.00 0.00 C ATOM 3 C MET A 1 -9.435 -44.498 4.420 1.00 0.00 C ATOM 4 O MET A 1 -10.304 -44.790 5.241 1.00 0.00 O ATOM 5 CB MET A 1 -7.655 -45.849 3.285 1.00 0.00 C ATOM 6 CG MET A 1 -7.423 -47.175 3.990 1.00 0.00 C ATOM 7 SD MET A 1 -5.673 -47.532 4.240 1.00 0.00 S ATOM 8 CE MET A 1 -5.671 -49.319 4.122 1.00 0.00 C ATOM 0 H1 MET A 1 -9.171 -45.405 1.170 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.393 -44.479 1.899 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.796 -43.904 1.868 1.00 0.00 H new ATOM 0 HA MET A 1 -9.770 -46.298 3.339 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.280 -45.919 2.264 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.074 -45.074 3.785 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.929 -47.162 4.955 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.873 -47.977 3.405 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.655 -49.691 4.256 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.315 -49.735 4.896 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.041 -49.619 3.142 1.00 0.00 H new ATOM 20 N ASN A 2 -8.717 -43.382 4.491 1.00 0.00 N ATOM 21 CA ASN A 2 -8.917 -42.412 5.562 1.00 0.00 C ATOM 22 C ASN A 2 -8.010 -41.200 5.373 1.00 0.00 C ATOM 23 O ASN A 2 -8.422 -40.063 5.605 1.00 0.00 O ATOM 24 CB ASN A 2 -8.644 -43.059 6.922 1.00 0.00 C ATOM 25 CG ASN A 2 -7.216 -43.555 7.051 1.00 0.00 C ATOM 26 OD1 ASN A 2 -6.335 -42.829 7.511 1.00 0.00 O ATOM 27 ND2 ASN A 2 -6.983 -44.797 6.645 1.00 0.00 N ATOM 0 H ASN A 2 -7.992 -43.127 3.820 1.00 0.00 H new ATOM 0 HA ASN A 2 -9.954 -42.078 5.527 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.847 -42.336 7.712 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.330 -43.893 7.069 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.042 -45.186 6.708 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.745 -45.362 6.270 1.00 0.00 H new ATOM 34 N ALA A 3 -6.775 -41.450 4.950 1.00 0.00 N ATOM 35 CA ALA A 3 -5.807 -40.380 4.729 1.00 0.00 C ATOM 36 C ALA A 3 -6.342 -39.336 3.752 1.00 0.00 C ATOM 37 O ALA A 3 -5.882 -38.194 3.740 1.00 0.00 O ATOM 38 CB ALA A 3 -4.495 -40.956 4.220 1.00 0.00 C ATOM 0 H ALA A 3 -6.420 -42.386 4.753 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.632 -39.884 5.684 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.781 -40.148 4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.094 -41.653 4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -4.668 -41.480 3.280 1.00 0.00 H new ATOM 44 N ASP A 4 -7.315 -39.731 2.936 1.00 0.00 N ATOM 45 CA ASP A 4 -7.908 -38.824 1.961 1.00 0.00 C ATOM 46 C ASP A 4 -8.879 -37.867 2.642 1.00 0.00 C ATOM 47 O ASP A 4 -8.730 -36.648 2.556 1.00 0.00 O ATOM 48 CB ASP A 4 -8.632 -39.614 0.870 1.00 0.00 C ATOM 49 CG ASP A 4 -8.515 -38.959 -0.492 1.00 0.00 C ATOM 50 OD1 ASP A 4 -7.435 -39.061 -1.109 1.00 0.00 O ATOM 51 OD2 ASP A 4 -9.505 -38.344 -0.941 1.00 0.00 O ATOM 0 H ASP A 4 -7.708 -40.672 2.931 1.00 0.00 H new ATOM 0 HA ASP A 4 -7.107 -38.243 1.503 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.221 -40.622 0.822 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -9.685 -39.712 1.134 1.00 0.00 H new ATOM 57 N GLU A 5 -9.869 -38.431 3.325 1.00 0.00 N ATOM 58 CA GLU A 5 -10.862 -37.629 4.028 1.00 0.00 C ATOM 59 C GLU A 5 -10.221 -36.874 5.187 1.00 0.00 C ATOM 60 O GLU A 5 -10.712 -35.825 5.604 1.00 0.00 O ATOM 61 CB GLU A 5 -11.992 -38.521 4.547 1.00 0.00 C ATOM 62 CG GLU A 5 -13.084 -37.755 5.276 1.00 0.00 C ATOM 63 CD GLU A 5 -14.474 -38.259 4.937 1.00 0.00 C ATOM 64 OE1 GLU A 5 -14.740 -39.460 5.158 1.00 0.00 O ATOM 65 OE2 GLU A 5 -15.296 -37.454 4.453 1.00 0.00 O ATOM 0 H GLU A 5 -10.005 -39.439 3.406 1.00 0.00 H new ATOM 0 HA GLU A 5 -11.275 -36.904 3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.434 -39.058 3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.573 -39.269 5.220 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.924 -37.836 6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.013 -36.697 5.022 1.00 0.00 H new ATOM 73 N TRP A 6 -9.120 -37.413 5.704 1.00 0.00 N ATOM 74 CA TRP A 6 -8.414 -36.785 6.815 1.00 0.00 C ATOM 75 C TRP A 6 -7.605 -35.583 6.338 1.00 0.00 C ATOM 76 O TRP A 6 -7.466 -34.591 7.056 1.00 0.00 O ATOM 77 CB TRP A 6 -7.492 -37.795 7.500 1.00 0.00 C ATOM 78 CG TRP A 6 -7.364 -37.578 8.976 1.00 0.00 C ATOM 79 CD1 TRP A 6 -6.644 -36.603 9.603 1.00 0.00 C ATOM 80 CD2 TRP A 6 -7.973 -38.356 10.013 1.00 0.00 C ATOM 81 NE1 TRP A 6 -6.769 -36.725 10.966 1.00 0.00 N ATOM 82 CE2 TRP A 6 -7.579 -37.794 11.243 1.00 0.00 C ATOM 83 CE3 TRP A 6 -8.815 -39.472 10.022 1.00 0.00 C ATOM 84 CZ2 TRP A 6 -7.998 -38.311 12.466 1.00 0.00 C ATOM 85 CZ3 TRP A 6 -9.230 -39.985 11.237 1.00 0.00 C ATOM 86 CH2 TRP A 6 -8.822 -39.404 12.444 1.00 0.00 C ATOM 0 H TRP A 6 -8.699 -38.281 5.372 1.00 0.00 H new ATOM 0 HA TRP A 6 -9.157 -36.438 7.533 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -7.870 -38.801 7.320 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -6.503 -37.740 7.045 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -6.061 -35.845 9.101 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -6.330 -36.118 11.659 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -9.136 -39.926 9.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -7.684 -37.866 13.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -9.879 -40.848 11.255 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -9.164 -39.827 13.377 1.00 0.00 H new ATOM 97 N MET A 7 -7.073 -35.677 5.125 1.00 0.00 N ATOM 98 CA MET A 7 -6.277 -34.597 4.552 1.00 0.00 C ATOM 99 C MET A 7 -7.122 -33.342 4.358 1.00 0.00 C ATOM 100 O MET A 7 -6.649 -32.225 4.574 1.00 0.00 O ATOM 101 CB MET A 7 -5.676 -35.032 3.215 1.00 0.00 C ATOM 102 CG MET A 7 -4.479 -34.199 2.785 1.00 0.00 C ATOM 103 SD MET A 7 -3.942 -34.570 1.105 1.00 0.00 S ATOM 104 CE MET A 7 -3.607 -36.325 1.235 1.00 0.00 C ATOM 0 H MET A 7 -7.178 -36.490 4.519 1.00 0.00 H new ATOM 0 HA MET A 7 -5.470 -34.366 5.247 1.00 0.00 H new ATOM 0 HB2 MET A 7 -5.374 -36.077 3.285 1.00 0.00 H new ATOM 0 HB3 MET A 7 -6.445 -34.973 2.444 1.00 0.00 H new ATOM 0 HG2 MET A 7 -4.733 -33.141 2.856 1.00 0.00 H new ATOM 0 HG3 MET A 7 -3.653 -34.375 3.474 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.022 -36.649 0.374 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.047 -36.522 2.149 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.548 -36.874 1.261 1.00 0.00 H new ATOM 114 N THR A 8 -8.371 -33.532 3.948 1.00 0.00 N ATOM 115 CA THR A 8 -9.281 -32.414 3.725 1.00 0.00 C ATOM 116 C THR A 8 -9.467 -31.598 5.002 1.00 0.00 C ATOM 117 O THR A 8 -9.465 -30.368 4.970 1.00 0.00 O ATOM 118 CB THR A 8 -10.635 -32.923 3.229 1.00 0.00 C ATOM 119 OG1 THR A 8 -10.873 -34.243 3.687 1.00 0.00 O ATOM 120 CG2 THR A 8 -10.755 -32.933 1.720 1.00 0.00 C ATOM 0 H THR A 8 -8.777 -34.449 3.763 1.00 0.00 H new ATOM 0 HA THR A 8 -8.842 -31.768 2.964 1.00 0.00 H new ATOM 0 HB THR A 8 -11.370 -32.226 3.631 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.741 -34.281 4.657 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.739 -33.305 1.436 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.625 -31.920 1.338 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.987 -33.581 1.298 1.00 0.00 H new ATOM 128 N THR A 9 -9.627 -32.293 6.124 1.00 0.00 N ATOM 129 CA THR A 9 -9.814 -31.633 7.411 1.00 0.00 C ATOM 130 C THR A 9 -8.484 -31.120 7.957 1.00 0.00 C ATOM 131 O THR A 9 -8.438 -30.108 8.655 1.00 0.00 O ATOM 132 CB THR A 9 -10.453 -32.595 8.413 1.00 0.00 C ATOM 133 OG1 THR A 9 -10.670 -31.952 9.657 1.00 0.00 O ATOM 134 CG2 THR A 9 -9.617 -33.829 8.674 1.00 0.00 C ATOM 0 H THR A 9 -9.631 -33.312 6.168 1.00 0.00 H new ATOM 0 HA THR A 9 -10.478 -30.782 7.262 1.00 0.00 H new ATOM 0 HB THR A 9 -11.394 -32.903 7.958 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.081 -32.583 10.284 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.128 -34.469 9.394 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.473 -34.375 7.741 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.648 -33.534 9.075 1.00 0.00 H new ATOM 142 N PHE A 10 -7.406 -31.828 7.635 1.00 0.00 N ATOM 143 CA PHE A 10 -6.075 -31.444 8.093 1.00 0.00 C ATOM 144 C PHE A 10 -5.555 -30.242 7.311 1.00 0.00 C ATOM 145 O PHE A 10 -4.794 -29.429 7.839 1.00 0.00 O ATOM 146 CB PHE A 10 -5.107 -32.622 7.951 1.00 0.00 C ATOM 147 CG PHE A 10 -4.657 -33.191 9.266 1.00 0.00 C ATOM 148 CD1 PHE A 10 -5.568 -33.427 10.283 1.00 0.00 C ATOM 149 CD2 PHE A 10 -3.321 -33.490 9.486 1.00 0.00 C ATOM 150 CE1 PHE A 10 -5.157 -33.951 11.494 1.00 0.00 C ATOM 151 CE2 PHE A 10 -2.904 -34.013 10.694 1.00 0.00 C ATOM 152 CZ PHE A 10 -3.823 -34.243 11.699 1.00 0.00 C ATOM 0 H PHE A 10 -7.428 -32.670 7.059 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.145 -31.164 9.144 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.588 -33.409 7.369 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.233 -32.297 7.387 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.612 -33.199 10.127 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.598 -33.312 8.704 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.877 -34.132 12.278 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.861 -34.242 10.853 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.498 -34.651 12.645 1.00 0.00 H new ATOM 162 N ARG A 11 -5.968 -30.135 6.053 1.00 0.00 N ATOM 163 CA ARG A 11 -5.543 -29.032 5.199 1.00 0.00 C ATOM 164 C ARG A 11 -5.921 -27.687 5.812 1.00 0.00 C ATOM 165 O ARG A 11 -5.191 -26.706 5.680 1.00 0.00 O ATOM 166 CB ARG A 11 -6.168 -29.165 3.809 1.00 0.00 C ATOM 167 CG ARG A 11 -5.297 -28.609 2.694 1.00 0.00 C ATOM 168 CD ARG A 11 -5.585 -29.296 1.369 1.00 0.00 C ATOM 169 NE ARG A 11 -4.941 -28.616 0.248 1.00 0.00 N ATOM 170 CZ ARG A 11 -4.833 -29.136 -0.972 1.00 0.00 C ATOM 171 NH1 ARG A 11 -5.320 -30.343 -1.233 1.00 0.00 N ATOM 172 NH2 ARG A 11 -4.233 -28.448 -1.935 1.00 0.00 N ATOM 0 H ARG A 11 -6.597 -30.799 5.602 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.458 -29.076 5.109 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.370 -30.217 3.610 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.128 -28.649 3.801 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.470 -27.537 2.595 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.246 -28.739 2.952 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.239 -30.329 1.414 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.662 -29.327 1.204 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.551 -27.688 0.410 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.780 -30.878 -0.496 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.234 -30.736 -2.170 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.855 -27.521 -1.740 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.150 -28.846 -2.870 1.00 0.00 H new ATOM 186 N GLU A 12 -7.067 -27.651 6.484 1.00 0.00 N ATOM 187 CA GLU A 12 -7.541 -26.427 7.118 1.00 0.00 C ATOM 188 C GLU A 12 -6.818 -26.182 8.439 1.00 0.00 C ATOM 189 O GLU A 12 -6.610 -25.038 8.842 1.00 0.00 O ATOM 190 CB GLU A 12 -9.050 -26.503 7.357 1.00 0.00 C ATOM 191 CG GLU A 12 -9.705 -25.143 7.549 1.00 0.00 C ATOM 192 CD GLU A 12 -11.219 -25.215 7.512 1.00 0.00 C ATOM 193 OE1 GLU A 12 -11.795 -25.988 8.306 1.00 0.00 O ATOM 194 OE2 GLU A 12 -11.828 -24.500 6.690 1.00 0.00 O ATOM 0 H GLU A 12 -7.684 -28.455 6.603 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.327 -25.595 6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.519 -27.007 6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.240 -27.116 8.238 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.388 -24.723 8.503 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.358 -24.464 6.771 1.00 0.00 H new ATOM 202 N ASN A 13 -6.436 -27.265 9.108 1.00 0.00 N ATOM 203 CA ASN A 13 -5.736 -27.168 10.383 1.00 0.00 C ATOM 204 C ASN A 13 -4.300 -26.693 10.182 1.00 0.00 C ATOM 205 O ASN A 13 -3.836 -25.782 10.868 1.00 0.00 O ATOM 206 CB ASN A 13 -5.741 -28.522 11.095 1.00 0.00 C ATOM 207 CG ASN A 13 -7.052 -28.796 11.808 1.00 0.00 C ATOM 208 OD1 ASN A 13 -7.544 -27.962 12.568 1.00 0.00 O ATOM 209 ND2 ASN A 13 -7.624 -29.970 11.564 1.00 0.00 N ATOM 0 H ASN A 13 -6.600 -28.220 8.788 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.258 -26.437 11.000 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.554 -29.312 10.368 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.925 -28.553 11.817 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.507 -30.210 12.014 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.180 -30.631 10.926 1.00 0.00 H new ATOM 216 N ILE A 14 -3.602 -27.315 9.238 1.00 0.00 N ATOM 217 CA ILE A 14 -2.220 -26.955 8.947 1.00 0.00 C ATOM 218 C ILE A 14 -2.124 -25.522 8.435 1.00 0.00 C ATOM 219 O ILE A 14 -1.274 -24.750 8.878 1.00 0.00 O ATOM 220 CB ILE A 14 -1.597 -27.904 7.905 1.00 0.00 C ATOM 221 CG1 ILE A 14 -1.811 -29.363 8.315 1.00 0.00 C ATOM 222 CG2 ILE A 14 -0.114 -27.609 7.737 1.00 0.00 C ATOM 223 CD1 ILE A 14 -2.165 -30.270 7.157 1.00 0.00 C ATOM 0 H ILE A 14 -3.971 -28.071 8.661 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.667 -27.044 9.882 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.092 -27.739 6.948 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.905 -29.734 8.793 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.606 -29.410 9.059 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.311 -28.288 6.998 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.017 -26.580 7.402 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.395 -27.747 8.691 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.302 -31.288 7.521 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.088 -29.923 6.692 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.360 -30.253 6.422 1.00 0.00 H new ATOM 235 N ALA A 15 -3.000 -25.173 7.499 1.00 0.00 N ATOM 236 CA ALA A 15 -3.014 -23.832 6.926 1.00 0.00 C ATOM 237 C ALA A 15 -3.271 -22.780 7.999 1.00 0.00 C ATOM 238 O ALA A 15 -2.636 -21.726 8.014 1.00 0.00 O ATOM 239 CB ALA A 15 -4.064 -23.739 5.829 1.00 0.00 C ATOM 0 H ALA A 15 -3.710 -25.800 7.121 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.033 -23.638 6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.064 -22.733 5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.835 -24.459 5.044 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.047 -23.958 6.246 1.00 0.00 H new ATOM 245 N GLN A 16 -4.208 -23.072 8.896 1.00 0.00 N ATOM 246 CA GLN A 16 -4.549 -22.150 9.973 1.00 0.00 C ATOM 247 C GLN A 16 -3.390 -22.006 10.953 1.00 0.00 C ATOM 248 O GLN A 16 -3.019 -20.895 11.332 1.00 0.00 O ATOM 249 CB GLN A 16 -5.800 -22.635 10.709 1.00 0.00 C ATOM 250 CG GLN A 16 -7.097 -22.114 10.114 1.00 0.00 C ATOM 251 CD GLN A 16 -7.340 -20.652 10.435 1.00 0.00 C ATOM 252 OE1 GLN A 16 -7.919 -20.319 11.469 1.00 0.00 O ATOM 253 NE2 GLN A 16 -6.897 -19.770 9.546 1.00 0.00 N ATOM 0 H GLN A 16 -4.744 -23.940 8.898 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.751 -21.173 9.533 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.818 -23.725 10.699 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.739 -22.327 11.753 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.075 -22.246 9.032 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.930 -22.708 10.491 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.422 -20.091 8.702 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.032 -18.772 9.707 1.00 0.00 H new ATOM 262 N THR A 17 -2.822 -23.136 11.361 1.00 0.00 N ATOM 263 CA THR A 17 -1.705 -23.135 12.298 1.00 0.00 C ATOM 264 C THR A 17 -0.484 -22.456 11.688 1.00 0.00 C ATOM 265 O THR A 17 0.314 -21.839 12.395 1.00 0.00 O ATOM 266 CB THR A 17 -1.354 -24.566 12.709 1.00 0.00 C ATOM 267 OG1 THR A 17 -2.489 -25.227 13.241 1.00 0.00 O ATOM 268 CG2 THR A 17 -0.253 -24.639 13.744 1.00 0.00 C ATOM 0 H THR A 17 -3.117 -24.064 11.057 1.00 0.00 H new ATOM 0 HA THR A 17 -2.007 -22.574 13.183 1.00 0.00 H new ATOM 0 HB THR A 17 -1.005 -25.051 11.797 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.077 -25.509 12.509 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.054 -25.682 13.990 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.652 -24.181 13.345 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.563 -24.107 14.643 1.00 0.00 H new ATOM 276 N TRP A 18 -0.344 -22.571 10.372 1.00 0.00 N ATOM 277 CA TRP A 18 0.779 -21.967 9.666 1.00 0.00 C ATOM 278 C TRP A 18 0.650 -20.448 9.637 1.00 0.00 C ATOM 279 O TRP A 18 1.611 -19.727 9.908 1.00 0.00 O ATOM 280 CB TRP A 18 0.865 -22.515 8.239 1.00 0.00 C ATOM 281 CG TRP A 18 2.053 -23.400 8.013 1.00 0.00 C ATOM 282 CD1 TRP A 18 2.495 -24.401 8.829 1.00 0.00 C ATOM 283 CD2 TRP A 18 2.950 -23.362 6.898 1.00 0.00 C ATOM 284 NE1 TRP A 18 3.614 -24.988 8.289 1.00 0.00 N ATOM 285 CE2 TRP A 18 3.914 -24.369 7.103 1.00 0.00 C ATOM 286 CE3 TRP A 18 3.035 -22.576 5.745 1.00 0.00 C ATOM 287 CZ2 TRP A 18 4.945 -24.609 6.199 1.00 0.00 C ATOM 288 CZ3 TRP A 18 4.059 -22.815 4.848 1.00 0.00 C ATOM 289 CH2 TRP A 18 5.002 -23.824 5.081 1.00 0.00 C ATOM 0 H TRP A 18 -0.995 -23.078 9.772 1.00 0.00 H new ATOM 0 HA TRP A 18 1.694 -22.223 10.200 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.044 -23.075 8.017 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.904 -21.681 7.539 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.033 -24.689 9.762 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.137 -25.759 8.703 1.00 0.00 H new ATOM 0 HE3 TRP A 18 2.313 -21.795 5.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 5.673 -25.387 6.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.133 -22.214 3.953 1.00 0.00 H new ATOM 0 HH2 TRP A 18 5.791 -23.986 4.362 1.00 0.00 H new ATOM 300 N GLN A 19 -0.544 -19.966 9.306 1.00 0.00 N ATOM 301 CA GLN A 19 -0.797 -18.532 9.241 1.00 0.00 C ATOM 302 C GLN A 19 -0.755 -17.908 10.632 1.00 0.00 C ATOM 303 O GLN A 19 0.166 -17.160 10.960 1.00 0.00 O ATOM 304 CB GLN A 19 -2.155 -18.263 8.588 1.00 0.00 C ATOM 305 CG GLN A 19 -2.130 -17.126 7.579 1.00 0.00 C ATOM 306 CD GLN A 19 -1.816 -17.602 6.173 1.00 0.00 C ATOM 307 OE1 GLN A 19 -2.701 -17.682 5.320 1.00 0.00 O ATOM 308 NE2 GLN A 19 -0.551 -17.921 5.924 1.00 0.00 N ATOM 0 H GLN A 19 -1.351 -20.548 9.079 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.013 -18.076 8.636 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.496 -19.171 8.091 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.883 -18.032 9.365 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.096 -16.622 7.581 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.386 -16.390 7.884 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.150 -17.840 6.661 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.280 -18.247 4.996 1.00 0.00 H new ATOM 317 N GLN A 20 -1.757 -18.221 11.448 1.00 0.00 N ATOM 318 CA GLN A 20 -1.833 -17.691 12.805 1.00 0.00 C ATOM 319 C GLN A 20 -1.860 -16.164 12.793 1.00 0.00 C ATOM 320 O GLN A 20 -0.838 -15.515 13.016 1.00 0.00 O ATOM 321 CB GLN A 20 -0.646 -18.186 13.635 1.00 0.00 C ATOM 322 CG GLN A 20 -0.789 -17.910 15.123 1.00 0.00 C ATOM 323 CD GLN A 20 -0.196 -19.013 15.978 1.00 0.00 C ATOM 324 OE1 GLN A 20 0.731 -19.706 15.562 1.00 0.00 O ATOM 325 NE2 GLN A 20 -0.731 -19.180 17.182 1.00 0.00 N ATOM 0 H GLN A 20 -2.527 -18.839 11.193 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.758 -18.049 13.257 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.528 -19.259 13.482 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.265 -17.710 13.271 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.300 -16.966 15.363 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.845 -17.793 15.368 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.499 -18.582 17.486 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.374 -19.906 17.803 1.00 0.00 H new ATOM 334 N PRO A 21 -3.037 -15.568 12.533 1.00 0.00 N ATOM 335 CA PRO A 21 -3.192 -14.111 12.495 1.00 0.00 C ATOM 336 C PRO A 21 -2.653 -13.438 13.753 1.00 0.00 C ATOM 337 O PRO A 21 -3.380 -13.253 14.730 1.00 0.00 O ATOM 338 CB PRO A 21 -4.706 -13.915 12.390 1.00 0.00 C ATOM 339 CG PRO A 21 -5.209 -15.170 11.765 1.00 0.00 C ATOM 340 CD PRO A 21 -4.306 -16.268 12.257 1.00 0.00 C ATOM 0 HA PRO A 21 -2.634 -13.664 11.672 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.153 -13.755 13.371 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.951 -13.044 11.782 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.244 -15.360 12.049 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.184 -15.102 10.677 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.705 -16.745 13.152 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.179 -17.050 11.508 1.00 0.00 H new ATOM 348 N GLU A 22 -1.375 -13.073 13.723 1.00 0.00 N ATOM 349 CA GLU A 22 -0.739 -12.421 14.861 1.00 0.00 C ATOM 350 C GLU A 22 0.697 -12.029 14.531 1.00 0.00 C ATOM 351 O GLU A 22 1.639 -12.749 14.859 1.00 0.00 O ATOM 352 CB GLU A 22 -0.760 -13.342 16.082 1.00 0.00 C ATOM 353 CG GLU A 22 -0.554 -12.612 17.398 1.00 0.00 C ATOM 354 CD GLU A 22 -1.856 -12.360 18.134 1.00 0.00 C ATOM 355 OE1 GLU A 22 -2.035 -12.924 19.234 1.00 0.00 O ATOM 356 OE2 GLU A 22 -2.696 -11.597 17.611 1.00 0.00 O ATOM 0 H GLU A 22 -0.760 -13.218 12.922 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.301 -11.515 15.088 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.714 -13.868 16.113 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.017 -14.098 15.970 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.111 -13.197 18.033 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.058 -11.660 17.208 1.00 0.00 H new ATOM 364 N HIS A 23 0.857 -10.882 13.877 1.00 0.00 N ATOM 365 CA HIS A 23 2.178 -10.394 13.502 1.00 0.00 C ATOM 366 C HIS A 23 2.192 -8.871 13.419 1.00 0.00 C ATOM 367 O HIS A 23 1.165 -8.244 13.158 1.00 0.00 O ATOM 368 CB HIS A 23 2.603 -10.993 12.160 1.00 0.00 C ATOM 369 CG HIS A 23 1.630 -10.729 11.053 1.00 0.00 C ATOM 370 ND1 HIS A 23 1.590 -9.540 10.355 1.00 0.00 N ATOM 371 CD2 HIS A 23 0.659 -11.509 10.521 1.00 0.00 C ATOM 372 CE1 HIS A 23 0.634 -9.600 9.444 1.00 0.00 C ATOM 373 NE2 HIS A 23 0.056 -10.783 9.525 1.00 0.00 N ATOM 0 H HIS A 23 0.088 -10.274 13.596 1.00 0.00 H new ATOM 0 HA HIS A 23 2.885 -10.704 14.271 1.00 0.00 H new ATOM 0 HB2 HIS A 23 3.576 -10.588 11.882 1.00 0.00 H new ATOM 0 HB3 HIS A 23 2.727 -12.070 12.275 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.407 -12.514 10.824 1.00 0.00 H new ATOM 0 HE1 HIS A 23 0.371 -8.814 8.751 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -0.715 -11.106 8.941 1.00 0.00 H new ATOM 382 N TYR A 24 3.363 -8.281 13.641 1.00 0.00 N ATOM 383 CA TYR A 24 3.509 -6.832 13.590 1.00 0.00 C ATOM 384 C TYR A 24 3.725 -6.357 12.156 1.00 0.00 C ATOM 385 O TYR A 24 4.391 -7.025 11.364 1.00 0.00 O ATOM 386 CB TYR A 24 4.680 -6.385 14.468 1.00 0.00 C ATOM 387 CG TYR A 24 4.497 -6.710 15.933 1.00 0.00 C ATOM 388 CD1 TYR A 24 4.667 -8.006 16.403 1.00 0.00 C ATOM 389 CD2 TYR A 24 4.155 -5.721 16.846 1.00 0.00 C ATOM 390 CE1 TYR A 24 4.501 -8.308 17.741 1.00 0.00 C ATOM 391 CE2 TYR A 24 3.987 -6.014 18.187 1.00 0.00 C ATOM 392 CZ TYR A 24 4.162 -7.309 18.628 1.00 0.00 C ATOM 393 OH TYR A 24 3.995 -7.605 19.962 1.00 0.00 O ATOM 0 H TYR A 24 4.223 -8.785 13.858 1.00 0.00 H new ATOM 0 HA TYR A 24 2.589 -6.386 13.968 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.593 -6.860 14.110 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.816 -5.309 14.357 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.933 -8.791 15.711 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.018 -4.706 16.503 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.636 -9.321 18.090 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.720 -5.234 18.885 1.00 0.00 H new ATOM 0 HH TYR A 24 3.759 -6.789 20.451 1.00 0.00 H new ATOM 403 N ASP A 25 3.155 -5.202 11.829 1.00 0.00 N ATOM 404 CA ASP A 25 3.285 -4.638 10.490 1.00 0.00 C ATOM 405 C ASP A 25 3.888 -3.239 10.545 1.00 0.00 C ATOM 406 O ASP A 25 3.395 -2.366 11.259 1.00 0.00 O ATOM 407 CB ASP A 25 1.920 -4.591 9.800 1.00 0.00 C ATOM 408 CG ASP A 25 1.629 -5.850 9.006 1.00 0.00 C ATOM 409 OD1 ASP A 25 0.582 -6.482 9.258 1.00 0.00 O ATOM 410 OD2 ASP A 25 2.449 -6.202 8.132 1.00 0.00 O ATOM 0 H ASP A 25 2.599 -4.638 12.472 1.00 0.00 H new ATOM 0 HA ASP A 25 3.954 -5.279 9.916 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.142 -4.450 10.550 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.882 -3.728 9.135 1.00 0.00 H new ATOM 416 N LEU A 26 4.960 -3.032 9.786 1.00 0.00 N ATOM 417 CA LEU A 26 5.632 -1.738 9.747 1.00 0.00 C ATOM 418 C LEU A 26 5.622 -1.161 8.335 1.00 0.00 C ATOM 419 O LEU A 26 5.933 -1.857 7.368 1.00 0.00 O ATOM 420 CB LEU A 26 7.072 -1.874 10.251 1.00 0.00 C ATOM 421 CG LEU A 26 7.435 -0.967 11.427 1.00 0.00 C ATOM 422 CD1 LEU A 26 7.304 0.497 11.033 1.00 0.00 C ATOM 423 CD2 LEU A 26 6.556 -1.277 12.629 1.00 0.00 C ATOM 0 H LEU A 26 5.382 -3.744 9.190 1.00 0.00 H new ATOM 0 HA LEU A 26 5.090 -1.053 10.400 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.241 -2.910 10.545 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.751 -1.662 9.425 1.00 0.00 H new ATOM 0 HG LEU A 26 8.473 -1.157 11.701 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.566 1.127 11.883 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.975 0.711 10.201 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.277 0.702 10.732 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.828 -0.622 13.457 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.511 -1.115 12.367 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.699 -2.316 12.926 1.00 0.00 H new ATOM 435 N TYR A 27 5.262 0.113 8.224 1.00 0.00 N ATOM 436 CA TYR A 27 5.212 0.784 6.930 1.00 0.00 C ATOM 437 C TYR A 27 6.075 2.041 6.936 1.00 0.00 C ATOM 438 O TYR A 27 5.777 3.007 7.638 1.00 0.00 O ATOM 439 CB TYR A 27 3.768 1.145 6.575 1.00 0.00 C ATOM 440 CG TYR A 27 2.827 -0.040 6.588 1.00 0.00 C ATOM 441 CD1 TYR A 27 2.249 -0.479 7.772 1.00 0.00 C ATOM 442 CD2 TYR A 27 2.518 -0.717 5.416 1.00 0.00 C ATOM 443 CE1 TYR A 27 1.389 -1.561 7.788 1.00 0.00 C ATOM 444 CE2 TYR A 27 1.657 -1.799 5.423 1.00 0.00 C ATOM 445 CZ TYR A 27 1.097 -2.217 6.611 1.00 0.00 C ATOM 446 OH TYR A 27 0.240 -3.294 6.623 1.00 0.00 O ATOM 0 H TYR A 27 5.000 0.702 9.015 1.00 0.00 H new ATOM 0 HA TYR A 27 5.604 0.099 6.178 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.406 1.894 7.279 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.749 1.602 5.586 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.475 0.033 8.695 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.957 -0.393 4.484 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.948 -1.891 8.717 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.425 -2.314 4.502 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.232 -3.346 5.766 1.00 0.00 H new ATOM 456 N ILE A 28 7.145 2.022 6.147 1.00 0.00 N ATOM 457 CA ILE A 28 8.051 3.161 6.062 1.00 0.00 C ATOM 458 C ILE A 28 8.307 3.551 4.606 1.00 0.00 C ATOM 459 O ILE A 28 8.528 2.688 3.757 1.00 0.00 O ATOM 460 CB ILE A 28 9.400 2.857 6.745 1.00 0.00 C ATOM 461 CG1 ILE A 28 9.173 2.333 8.165 1.00 0.00 C ATOM 462 CG2 ILE A 28 10.276 4.102 6.769 1.00 0.00 C ATOM 463 CD1 ILE A 28 10.237 1.361 8.627 1.00 0.00 C ATOM 0 H ILE A 28 7.405 1.231 5.558 1.00 0.00 H new ATOM 0 HA ILE A 28 7.569 3.990 6.579 1.00 0.00 H new ATOM 0 HB ILE A 28 9.913 2.086 6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 28 9.139 3.177 8.854 1.00 0.00 H new ATOM 0 HG13 ILE A 28 8.200 1.844 8.212 1.00 0.00 H new ATOM 0 HG21 ILE A 28 11.224 3.870 7.254 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.463 4.435 5.748 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.769 4.893 7.322 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.012 1.031 9.641 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.256 0.499 7.960 1.00 0.00 H new ATOM 0 HD13 ILE A 28 11.210 1.852 8.613 1.00 0.00 H new ATOM 475 N PRO A 29 8.281 4.860 4.296 1.00 0.00 N ATOM 476 CA PRO A 29 8.512 5.350 2.934 1.00 0.00 C ATOM 477 C PRO A 29 9.963 5.187 2.498 1.00 0.00 C ATOM 478 O PRO A 29 10.829 5.978 2.875 1.00 0.00 O ATOM 479 CB PRO A 29 8.145 6.834 3.022 1.00 0.00 C ATOM 480 CG PRO A 29 8.367 7.193 4.450 1.00 0.00 C ATOM 481 CD PRO A 29 8.027 5.962 5.244 1.00 0.00 C ATOM 0 HA PRO A 29 7.929 4.796 2.198 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.768 7.436 2.361 1.00 0.00 H new ATOM 0 HB3 PRO A 29 7.110 7.004 2.727 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.401 7.494 4.621 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.738 8.033 4.744 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.648 5.875 6.136 1.00 0.00 H new ATOM 0 HD3 PRO A 29 6.989 5.973 5.578 1.00 0.00 H new ATOM 489 N ALA A 30 10.224 4.155 1.701 1.00 0.00 N ATOM 490 CA ALA A 30 11.572 3.887 1.214 1.00 0.00 C ATOM 491 C ALA A 30 12.534 3.641 2.371 1.00 0.00 C ATOM 492 O ALA A 30 12.143 3.683 3.537 1.00 0.00 O ATOM 493 CB ALA A 30 12.061 5.043 0.355 1.00 0.00 C ATOM 0 H ALA A 30 9.520 3.491 1.379 1.00 0.00 H new ATOM 0 HA ALA A 30 11.540 2.984 0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 30 13.069 4.830 -0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.393 5.171 -0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.072 5.958 0.948 1.00 0.00 H new ATOM 499 N ILE A 31 13.796 3.384 2.039 1.00 0.00 N ATOM 500 CA ILE A 31 14.814 3.130 3.052 1.00 0.00 C ATOM 501 C ILE A 31 16.078 3.937 2.772 1.00 0.00 C ATOM 502 O ILE A 31 16.316 4.365 1.644 1.00 0.00 O ATOM 503 CB ILE A 31 15.179 1.636 3.121 1.00 0.00 C ATOM 504 CG1 ILE A 31 15.525 1.107 1.729 1.00 0.00 C ATOM 505 CG2 ILE A 31 14.033 0.839 3.727 1.00 0.00 C ATOM 506 CD1 ILE A 31 16.932 1.446 1.285 1.00 0.00 C ATOM 0 H ILE A 31 14.137 3.346 1.078 1.00 0.00 H new ATOM 0 HA ILE A 31 14.392 3.437 4.009 1.00 0.00 H new ATOM 0 HB ILE A 31 16.055 1.521 3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 31 15.401 0.024 1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.817 1.515 1.008 1.00 0.00 H new ATOM 0 HG21 ILE A 31 14.306 -0.216 3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 31 13.830 1.202 4.735 1.00 0.00 H new ATOM 0 HG23 ILE A 31 13.141 0.959 3.112 1.00 0.00 H new ATOM 0 HD11 ILE A 31 17.107 1.039 0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 31 17.055 2.529 1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 31 17.648 1.014 1.984 1.00 0.00 H new ATOM 518 N THR A 32 16.885 4.140 3.809 1.00 0.00 N ATOM 519 CA THR A 32 18.125 4.896 3.676 1.00 0.00 C ATOM 520 C THR A 32 19.169 4.407 4.674 1.00 0.00 C ATOM 521 O THR A 32 18.856 3.657 5.599 1.00 0.00 O ATOM 522 CB THR A 32 17.862 6.388 3.885 1.00 0.00 C ATOM 523 OG1 THR A 32 16.912 6.591 4.915 1.00 0.00 O ATOM 524 CG2 THR A 32 17.349 7.085 2.643 1.00 0.00 C ATOM 0 H THR A 32 16.702 3.792 4.750 1.00 0.00 H new ATOM 0 HA THR A 32 18.510 4.740 2.668 1.00 0.00 H new ATOM 0 HB THR A 32 18.828 6.817 4.150 1.00 0.00 H new ATOM 0 HG1 THR A 32 16.759 7.552 5.034 1.00 0.00 H new ATOM 0 HG21 THR A 32 17.183 8.140 2.860 1.00 0.00 H new ATOM 0 HG22 THR A 32 18.083 6.990 1.843 1.00 0.00 H new ATOM 0 HG23 THR A 32 16.411 6.627 2.330 1.00 0.00 H new ATOM 532 N TRP A 33 20.412 4.837 4.482 1.00 0.00 N ATOM 533 CA TRP A 33 21.503 4.443 5.366 1.00 0.00 C ATOM 534 C TRP A 33 21.953 5.615 6.231 1.00 0.00 C ATOM 535 O TRP A 33 22.637 6.523 5.758 1.00 0.00 O ATOM 536 CB TRP A 33 22.684 3.914 4.549 1.00 0.00 C ATOM 537 CG TRP A 33 23.452 2.834 5.246 1.00 0.00 C ATOM 538 CD1 TRP A 33 23.049 1.546 5.454 1.00 0.00 C ATOM 539 CD2 TRP A 33 24.754 2.946 5.831 1.00 0.00 C ATOM 540 NE1 TRP A 33 24.022 0.850 6.130 1.00 0.00 N ATOM 541 CE2 TRP A 33 25.079 1.688 6.372 1.00 0.00 C ATOM 542 CE3 TRP A 33 25.678 3.989 5.947 1.00 0.00 C ATOM 543 CZ2 TRP A 33 26.288 1.446 7.020 1.00 0.00 C ATOM 544 CZ3 TRP A 33 26.878 3.747 6.590 1.00 0.00 C ATOM 545 CH2 TRP A 33 27.173 2.484 7.119 1.00 0.00 C ATOM 0 H TRP A 33 20.689 5.458 3.722 1.00 0.00 H new ATOM 0 HA TRP A 33 21.139 3.651 6.020 1.00 0.00 H new ATOM 0 HB2 TRP A 33 22.316 3.531 3.597 1.00 0.00 H new ATOM 0 HB3 TRP A 33 23.358 4.740 4.321 1.00 0.00 H new ATOM 0 HD1 TRP A 33 22.103 1.134 5.134 1.00 0.00 H new ATOM 0 HE1 TRP A 33 23.967 -0.130 6.407 1.00 0.00 H new ATOM 0 HE3 TRP A 33 25.458 4.966 5.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 26.518 0.474 7.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 27.600 4.545 6.686 1.00 0.00 H new ATOM 0 HH2 TRP A 33 28.119 2.327 7.615 1.00 0.00 H new ATOM 556 N HIS A 34 21.565 5.590 7.502 1.00 0.00 N ATOM 557 CA HIS A 34 21.928 6.651 8.434 1.00 0.00 C ATOM 558 C HIS A 34 23.364 6.480 8.920 1.00 0.00 C ATOM 559 O HIS A 34 23.717 5.451 9.496 1.00 0.00 O ATOM 560 CB HIS A 34 20.972 6.658 9.629 1.00 0.00 C ATOM 561 CG HIS A 34 20.821 8.005 10.265 1.00 0.00 C ATOM 562 ND1 HIS A 34 21.540 9.112 9.865 1.00 0.00 N ATOM 563 CD2 HIS A 34 20.027 8.421 11.280 1.00 0.00 C ATOM 564 CE1 HIS A 34 21.195 10.150 10.607 1.00 0.00 C ATOM 565 NE2 HIS A 34 20.279 9.757 11.472 1.00 0.00 N ATOM 0 H HIS A 34 20.999 4.846 7.910 1.00 0.00 H new ATOM 0 HA HIS A 34 21.851 7.603 7.909 1.00 0.00 H new ATOM 0 HB2 HIS A 34 19.993 6.307 9.303 1.00 0.00 H new ATOM 0 HB3 HIS A 34 21.332 5.950 10.376 1.00 0.00 H new ATOM 0 HD2 HIS A 34 19.326 7.815 11.835 1.00 0.00 H new ATOM 0 HE1 HIS A 34 21.595 11.150 10.520 1.00 0.00 H new ATOM 0 HE2 HIS A 34 19.831 10.350 12.170 1.00 0.00 H new ATOM 574 N ALA A 35 24.188 7.494 8.681 1.00 0.00 N ATOM 575 CA ALA A 35 25.586 7.457 9.093 1.00 0.00 C ATOM 576 C ALA A 35 25.718 7.628 10.603 1.00 0.00 C ATOM 577 O ALA A 35 24.874 8.256 11.242 1.00 0.00 O ATOM 578 CB ALA A 35 26.380 8.532 8.367 1.00 0.00 C ATOM 0 H ALA A 35 23.912 8.352 8.204 1.00 0.00 H new ATOM 0 HA ALA A 35 25.991 6.481 8.827 1.00 0.00 H new ATOM 0 HB1 ALA A 35 27.422 8.492 8.685 1.00 0.00 H new ATOM 0 HB2 ALA A 35 26.322 8.363 7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 35 25.966 9.512 8.603 1.00 0.00 H new ATOM 584 N ARG A 36 26.783 7.066 11.166 1.00 0.00 N ATOM 585 CA ARG A 36 27.026 7.158 12.601 1.00 0.00 C ATOM 586 C ARG A 36 27.438 8.572 12.994 1.00 0.00 C ATOM 587 O ARG A 36 26.664 9.307 13.607 1.00 0.00 O ATOM 588 CB ARG A 36 28.110 6.163 13.019 1.00 0.00 C ATOM 589 CG ARG A 36 27.568 4.797 13.406 1.00 0.00 C ATOM 590 CD ARG A 36 27.417 4.662 14.913 1.00 0.00 C ATOM 591 NE ARG A 36 27.989 3.412 15.410 1.00 0.00 N ATOM 592 CZ ARG A 36 29.287 3.121 15.366 1.00 0.00 C ATOM 593 NH1 ARG A 36 30.150 3.986 14.848 1.00 0.00 N ATOM 594 NH2 ARG A 36 29.723 1.963 15.840 1.00 0.00 N ATOM 0 H ARG A 36 27.491 6.543 10.651 1.00 0.00 H new ATOM 0 HA ARG A 36 26.098 6.914 13.118 1.00 0.00 H new ATOM 0 HB2 ARG A 36 28.818 6.044 12.199 1.00 0.00 H new ATOM 0 HB3 ARG A 36 28.665 6.576 13.861 1.00 0.00 H new ATOM 0 HG2 ARG A 36 26.602 4.639 12.927 1.00 0.00 H new ATOM 0 HG3 ARG A 36 28.238 4.021 13.036 1.00 0.00 H new ATOM 0 HD2 ARG A 36 27.905 5.504 15.403 1.00 0.00 H new ATOM 0 HD3 ARG A 36 26.360 4.708 15.177 1.00 0.00 H new ATOM 0 HE ARG A 36 27.356 2.722 15.814 1.00 0.00 H new ATOM 0 HH11 ARG A 36 29.820 4.879 14.481 1.00 0.00 H new ATOM 0 HH12 ARG A 36 31.144 3.758 14.817 1.00 0.00 H new ATOM 0 HH21 ARG A 36 29.064 1.294 16.239 1.00 0.00 H new ATOM 0 HH22 ARG A 36 30.718 1.740 15.806 1.00 0.00 H new ATOM 608 N PHE A 37 28.661 8.948 12.638 1.00 0.00 N ATOM 609 CA PHE A 37 29.177 10.275 12.954 1.00 0.00 C ATOM 610 C PHE A 37 29.771 10.937 11.714 1.00 0.00 C ATOM 611 O PHE A 37 30.972 10.839 11.461 1.00 0.00 O ATOM 612 CB PHE A 37 30.233 10.185 14.059 1.00 0.00 C ATOM 613 CG PHE A 37 29.900 11.003 15.274 1.00 0.00 C ATOM 614 CD1 PHE A 37 28.639 10.934 15.846 1.00 0.00 C ATOM 615 CD2 PHE A 37 30.846 11.838 15.844 1.00 0.00 C ATOM 616 CE1 PHE A 37 28.330 11.684 16.965 1.00 0.00 C ATOM 617 CE2 PHE A 37 30.543 12.591 16.962 1.00 0.00 C ATOM 618 CZ PHE A 37 29.283 12.514 17.524 1.00 0.00 C ATOM 0 H PHE A 37 29.314 8.352 12.130 1.00 0.00 H new ATOM 0 HA PHE A 37 28.347 10.887 13.306 1.00 0.00 H new ATOM 0 HB2 PHE A 37 30.351 9.142 14.354 1.00 0.00 H new ATOM 0 HB3 PHE A 37 31.193 10.514 13.661 1.00 0.00 H new ATOM 0 HD1 PHE A 37 27.890 10.287 15.413 1.00 0.00 H new ATOM 0 HD2 PHE A 37 31.833 11.901 15.409 1.00 0.00 H new ATOM 0 HE1 PHE A 37 27.344 11.621 17.402 1.00 0.00 H new ATOM 0 HE2 PHE A 37 31.290 13.239 17.396 1.00 0.00 H new ATOM 0 HZ PHE A 37 29.044 13.101 18.398 1.00 0.00 H new ATOM 628 N ALA A 38 28.921 11.610 10.944 1.00 0.00 N ATOM 629 CA ALA A 38 29.363 12.288 9.731 1.00 0.00 C ATOM 630 C ALA A 38 30.364 13.393 10.053 1.00 0.00 C ATOM 631 O ALA A 38 30.297 14.015 11.113 1.00 0.00 O ATOM 632 CB ALA A 38 28.167 12.857 8.982 1.00 0.00 C ATOM 0 H ALA A 38 27.924 11.700 11.139 1.00 0.00 H new ATOM 0 HA ALA A 38 29.863 11.557 9.095 1.00 0.00 H new ATOM 0 HB1 ALA A 38 28.510 13.361 8.078 1.00 0.00 H new ATOM 0 HB2 ALA A 38 27.489 12.048 8.711 1.00 0.00 H new ATOM 0 HB3 ALA A 38 27.645 13.571 9.619 1.00 0.00 H new ATOM 638 N TYR A 39 31.290 13.632 9.130 1.00 0.00 N ATOM 639 CA TYR A 39 32.305 14.662 9.314 1.00 0.00 C ATOM 640 C TYR A 39 32.032 15.862 8.412 1.00 0.00 C ATOM 641 O TYR A 39 32.107 15.760 7.187 1.00 0.00 O ATOM 642 CB TYR A 39 33.695 14.096 9.023 1.00 0.00 C ATOM 643 CG TYR A 39 34.329 13.403 10.208 1.00 0.00 C ATOM 644 CD1 TYR A 39 34.990 14.130 11.189 1.00 0.00 C ATOM 645 CD2 TYR A 39 34.265 12.022 10.345 1.00 0.00 C ATOM 646 CE1 TYR A 39 35.571 13.500 12.274 1.00 0.00 C ATOM 647 CE2 TYR A 39 34.842 11.385 11.428 1.00 0.00 C ATOM 648 CZ TYR A 39 35.494 12.128 12.389 1.00 0.00 C ATOM 649 OH TYR A 39 36.070 11.498 13.468 1.00 0.00 O ATOM 0 H TYR A 39 31.358 13.126 8.247 1.00 0.00 H new ATOM 0 HA TYR A 39 32.266 14.994 10.352 1.00 0.00 H new ATOM 0 HB2 TYR A 39 33.624 13.390 8.196 1.00 0.00 H new ATOM 0 HB3 TYR A 39 34.346 14.906 8.696 1.00 0.00 H new ATOM 0 HD1 TYR A 39 35.051 15.205 11.103 1.00 0.00 H new ATOM 0 HD2 TYR A 39 33.756 11.437 9.593 1.00 0.00 H new ATOM 0 HE1 TYR A 39 36.083 14.080 13.028 1.00 0.00 H new ATOM 0 HE2 TYR A 39 34.782 10.311 11.521 1.00 0.00 H new ATOM 0 HH TYR A 39 35.925 10.531 13.398 1.00 0.00 H new ATOM 659 N ASP A 40 31.715 16.997 9.025 1.00 0.00 N ATOM 660 CA ASP A 40 31.432 18.217 8.278 1.00 0.00 C ATOM 661 C ASP A 40 32.721 18.951 7.925 1.00 0.00 C ATOM 662 O ASP A 40 33.369 19.539 8.792 1.00 0.00 O ATOM 663 CB ASP A 40 30.513 19.135 9.088 1.00 0.00 C ATOM 664 CG ASP A 40 29.512 19.865 8.215 1.00 0.00 C ATOM 665 OD1 ASP A 40 29.942 20.688 7.379 1.00 0.00 O ATOM 666 OD2 ASP A 40 28.298 19.615 8.367 1.00 0.00 O ATOM 0 H ASP A 40 31.648 17.098 10.038 1.00 0.00 H new ATOM 0 HA ASP A 40 30.930 17.937 7.352 1.00 0.00 H new ATOM 0 HB2 ASP A 40 29.979 18.545 9.833 1.00 0.00 H new ATOM 0 HB3 ASP A 40 31.117 19.863 9.630 1.00 0.00 H new ATOM 672 N LYS A 41 33.087 18.915 6.648 1.00 0.00 N ATOM 673 CA LYS A 41 34.299 19.578 6.182 1.00 0.00 C ATOM 674 C LYS A 41 34.157 20.009 4.726 1.00 0.00 C ATOM 675 O LYS A 41 35.135 20.040 3.979 1.00 0.00 O ATOM 676 CB LYS A 41 35.504 18.649 6.335 1.00 0.00 C ATOM 677 CG LYS A 41 35.418 17.394 5.481 1.00 0.00 C ATOM 678 CD LYS A 41 36.786 16.974 4.968 1.00 0.00 C ATOM 679 CE LYS A 41 36.693 15.746 4.076 1.00 0.00 C ATOM 680 NZ LYS A 41 37.970 15.483 3.358 1.00 0.00 N ATOM 0 H LYS A 41 32.562 18.434 5.918 1.00 0.00 H new ATOM 0 HA LYS A 41 34.455 20.468 6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 41 36.409 19.196 6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 41 35.599 18.360 7.382 1.00 0.00 H new ATOM 0 HG2 LYS A 41 34.983 16.584 6.066 1.00 0.00 H new ATOM 0 HG3 LYS A 41 34.751 17.572 4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 41 37.235 17.796 4.411 1.00 0.00 H new ATOM 0 HD3 LYS A 41 37.443 16.763 5.812 1.00 0.00 H new ATOM 0 HE2 LYS A 41 36.431 14.878 4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 41 35.891 15.884 3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 37.865 14.638 2.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 38.208 16.301 2.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 38.731 15.326 4.049 1.00 0.00 H new ATOM 694 N GLU A 42 32.933 20.341 4.329 1.00 0.00 N ATOM 695 CA GLU A 42 32.662 20.771 2.962 1.00 0.00 C ATOM 696 C GLU A 42 31.767 22.006 2.946 1.00 0.00 C ATOM 697 O GLU A 42 31.312 22.468 3.993 1.00 0.00 O ATOM 698 CB GLU A 42 32.003 19.639 2.170 1.00 0.00 C ATOM 699 CG GLU A 42 32.797 18.343 2.186 1.00 0.00 C ATOM 700 CD GLU A 42 33.851 18.293 1.098 1.00 0.00 C ATOM 701 OE1 GLU A 42 33.479 18.351 -0.092 1.00 0.00 O ATOM 702 OE2 GLU A 42 35.049 18.195 1.436 1.00 0.00 O ATOM 0 H GLU A 42 32.113 20.321 4.935 1.00 0.00 H new ATOM 0 HA GLU A 42 33.612 21.028 2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 42 31.010 19.452 2.578 1.00 0.00 H new ATOM 0 HB3 GLU A 42 31.868 19.960 1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 42 33.277 18.227 3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 42 32.115 17.502 2.065 1.00 0.00 H new ATOM 710 N LYS A 43 31.519 22.536 1.753 1.00 0.00 N ATOM 711 CA LYS A 43 30.678 23.718 1.602 1.00 0.00 C ATOM 712 C LYS A 43 29.317 23.347 1.020 1.00 0.00 C ATOM 713 O LYS A 43 28.708 24.131 0.293 1.00 0.00 O ATOM 714 CB LYS A 43 31.366 24.747 0.704 1.00 0.00 C ATOM 715 CG LYS A 43 32.551 25.433 1.363 1.00 0.00 C ATOM 716 CD LYS A 43 32.102 26.420 2.428 1.00 0.00 C ATOM 717 CE LYS A 43 32.961 27.674 2.424 1.00 0.00 C ATOM 718 NZ LYS A 43 32.319 28.786 1.670 1.00 0.00 N ATOM 0 H LYS A 43 31.888 22.166 0.877 1.00 0.00 H new ATOM 0 HA LYS A 43 30.524 24.153 2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 43 31.703 24.254 -0.208 1.00 0.00 H new ATOM 0 HB3 LYS A 43 30.638 25.502 0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 43 33.203 24.684 1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 43 33.138 25.954 0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 43 31.060 26.691 2.258 1.00 0.00 H new ATOM 0 HD3 LYS A 43 32.152 25.947 3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 43 33.145 27.991 3.451 1.00 0.00 H new ATOM 0 HE3 LYS A 43 33.931 27.448 1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 32.937 29.622 1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 32.166 28.494 0.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 31.405 29.020 2.108 1.00 0.00 H new ATOM 732 N THR A 44 28.849 22.146 1.344 1.00 0.00 N ATOM 733 CA THR A 44 27.561 21.672 0.853 1.00 0.00 C ATOM 734 C THR A 44 26.502 21.741 1.948 1.00 0.00 C ATOM 735 O THR A 44 26.807 21.593 3.131 1.00 0.00 O ATOM 736 CB THR A 44 27.685 20.237 0.339 1.00 0.00 C ATOM 737 OG1 THR A 44 26.448 19.779 -0.176 1.00 0.00 O ATOM 738 CG2 THR A 44 28.131 19.256 1.402 1.00 0.00 C ATOM 0 H THR A 44 29.342 21.484 1.944 1.00 0.00 H new ATOM 0 HA THR A 44 27.253 22.320 0.033 1.00 0.00 H new ATOM 0 HB THR A 44 28.447 20.275 -0.440 1.00 0.00 H new ATOM 0 HG1 THR A 44 26.549 18.860 -0.501 1.00 0.00 H new ATOM 0 HG21 THR A 44 28.198 18.257 0.970 1.00 0.00 H new ATOM 0 HG22 THR A 44 29.108 19.553 1.784 1.00 0.00 H new ATOM 0 HG23 THR A 44 27.408 19.250 2.218 1.00 0.00 H new ATOM 746 N ASP A 45 25.255 21.967 1.545 1.00 0.00 N ATOM 747 CA ASP A 45 24.150 22.057 2.492 1.00 0.00 C ATOM 748 C ASP A 45 22.841 21.615 1.845 1.00 0.00 C ATOM 749 O ASP A 45 22.059 22.443 1.376 1.00 0.00 O ATOM 750 CB ASP A 45 24.016 23.487 3.018 1.00 0.00 C ATOM 751 CG ASP A 45 23.045 23.589 4.178 1.00 0.00 C ATOM 752 OD1 ASP A 45 23.020 22.660 5.014 1.00 0.00 O ATOM 753 OD2 ASP A 45 22.310 24.596 4.251 1.00 0.00 O ATOM 0 H ASP A 45 24.985 22.091 0.569 1.00 0.00 H new ATOM 0 HA ASP A 45 24.365 21.390 3.327 1.00 0.00 H new ATOM 0 HB2 ASP A 45 24.995 23.848 3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.682 24.138 2.210 1.00 0.00 H new ATOM 759 N ARG A 46 22.610 20.307 1.820 1.00 0.00 N ATOM 760 CA ARG A 46 21.396 19.755 1.230 1.00 0.00 C ATOM 761 C ARG A 46 20.805 18.667 2.118 1.00 0.00 C ATOM 762 O ARG A 46 20.200 17.713 1.629 1.00 0.00 O ATOM 763 CB ARG A 46 21.693 19.189 -0.161 1.00 0.00 C ATOM 764 CG ARG A 46 22.128 20.243 -1.167 1.00 0.00 C ATOM 765 CD ARG A 46 21.042 20.519 -2.195 1.00 0.00 C ATOM 766 NE ARG A 46 19.734 20.708 -1.571 1.00 0.00 N ATOM 767 CZ ARG A 46 18.614 20.934 -2.254 1.00 0.00 C ATOM 768 NH1 ARG A 46 18.637 21.001 -3.578 1.00 0.00 N ATOM 769 NH2 ARG A 46 17.466 21.093 -1.608 1.00 0.00 N ATOM 0 H ARG A 46 23.248 19.609 2.202 1.00 0.00 H new ATOM 0 HA ARG A 46 20.667 20.560 1.140 1.00 0.00 H new ATOM 0 HB2 ARG A 46 22.475 18.434 -0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 46 20.802 18.686 -0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 46 22.377 21.166 -0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 46 23.034 19.911 -1.674 1.00 0.00 H new ATOM 0 HD2 ARG A 46 21.303 21.409 -2.768 1.00 0.00 H new ATOM 0 HD3 ARG A 46 20.991 19.690 -2.900 1.00 0.00 H new ATOM 0 HE ARG A 46 19.676 20.664 -0.554 1.00 0.00 H new ATOM 0 HH11 ARG A 46 19.517 20.879 -4.080 1.00 0.00 H new ATOM 0 HH12 ARG A 46 17.775 21.174 -4.095 1.00 0.00 H new ATOM 0 HH21 ARG A 46 17.443 21.042 -0.590 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.607 21.266 -2.130 1.00 0.00 H new ATOM 783 N TYR A 47 20.985 18.816 3.427 1.00 0.00 N ATOM 784 CA TYR A 47 20.467 17.845 4.385 1.00 0.00 C ATOM 785 C TYR A 47 18.959 17.996 4.552 1.00 0.00 C ATOM 786 O TYR A 47 18.472 19.052 4.956 1.00 0.00 O ATOM 787 CB TYR A 47 21.162 18.011 5.737 1.00 0.00 C ATOM 788 CG TYR A 47 22.447 17.222 5.859 1.00 0.00 C ATOM 789 CD1 TYR A 47 22.432 15.891 6.253 1.00 0.00 C ATOM 790 CD2 TYR A 47 23.675 17.809 5.580 1.00 0.00 C ATOM 791 CE1 TYR A 47 23.603 15.166 6.366 1.00 0.00 C ATOM 792 CE2 TYR A 47 24.851 17.092 5.690 1.00 0.00 C ATOM 793 CZ TYR A 47 24.810 15.771 6.084 1.00 0.00 C ATOM 794 OH TYR A 47 25.978 15.054 6.195 1.00 0.00 O ATOM 0 H TYR A 47 21.485 19.599 3.848 1.00 0.00 H new ATOM 0 HA TYR A 47 20.672 16.846 3.999 1.00 0.00 H new ATOM 0 HB2 TYR A 47 21.378 19.067 5.898 1.00 0.00 H new ATOM 0 HB3 TYR A 47 20.479 17.701 6.528 1.00 0.00 H new ATOM 0 HD1 TYR A 47 21.489 15.414 6.475 1.00 0.00 H new ATOM 0 HD2 TYR A 47 23.711 18.843 5.272 1.00 0.00 H new ATOM 0 HE1 TYR A 47 23.573 14.131 6.674 1.00 0.00 H new ATOM 0 HE2 TYR A 47 25.797 17.563 5.469 1.00 0.00 H new ATOM 0 HH TYR A 47 26.737 15.627 5.960 1.00 0.00 H new ATOM 804 N ASN A 48 18.225 16.933 4.241 1.00 0.00 N ATOM 805 CA ASN A 48 16.771 16.947 4.358 1.00 0.00 C ATOM 806 C ASN A 48 16.317 16.168 5.588 1.00 0.00 C ATOM 807 O ASN A 48 16.966 15.206 5.999 1.00 0.00 O ATOM 808 CB ASN A 48 16.132 16.356 3.100 1.00 0.00 C ATOM 809 CG ASN A 48 16.697 14.993 2.751 1.00 0.00 C ATOM 810 OD1 ASN A 48 17.843 14.875 2.318 1.00 0.00 O ATOM 811 ND2 ASN A 48 15.892 13.954 2.939 1.00 0.00 N ATOM 0 H ASN A 48 18.613 16.051 3.906 1.00 0.00 H new ATOM 0 HA ASN A 48 16.450 17.983 4.468 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.055 16.273 3.247 1.00 0.00 H new ATOM 0 HB3 ASN A 48 16.288 17.036 2.263 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.217 13.012 2.722 1.00 0.00 H new ATOM 0 HD22 ASN A 48 14.949 14.098 3.300 1.00 0.00 H new ATOM 818 N GLU A 49 15.199 16.588 6.169 1.00 0.00 N ATOM 819 CA GLU A 49 14.658 15.929 7.352 1.00 0.00 C ATOM 820 C GLU A 49 13.541 14.961 6.973 1.00 0.00 C ATOM 821 O GLU A 49 12.860 15.148 5.964 1.00 0.00 O ATOM 822 CB GLU A 49 14.134 16.967 8.346 1.00 0.00 C ATOM 823 CG GLU A 49 15.174 17.422 9.355 1.00 0.00 C ATOM 824 CD GLU A 49 15.350 16.437 10.494 1.00 0.00 C ATOM 825 OE1 GLU A 49 15.388 15.218 10.225 1.00 0.00 O ATOM 826 OE2 GLU A 49 15.451 16.885 11.657 1.00 0.00 O ATOM 0 H GLU A 49 14.649 17.382 5.840 1.00 0.00 H new ATOM 0 HA GLU A 49 15.462 15.362 7.821 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.771 17.834 7.795 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.281 16.548 8.880 1.00 0.00 H new ATOM 0 HG2 GLU A 49 16.129 17.561 8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 49 14.883 18.391 9.759 1.00 0.00 H new ATOM 834 N ARG A 50 13.359 13.927 7.787 1.00 0.00 N ATOM 835 CA ARG A 50 12.325 12.930 7.537 1.00 0.00 C ATOM 836 C ARG A 50 11.558 12.607 8.819 1.00 0.00 C ATOM 837 O ARG A 50 12.150 12.506 9.894 1.00 0.00 O ATOM 838 CB ARG A 50 12.947 11.653 6.967 1.00 0.00 C ATOM 839 CG ARG A 50 12.030 10.900 6.017 1.00 0.00 C ATOM 840 CD ARG A 50 12.769 9.783 5.298 1.00 0.00 C ATOM 841 NE ARG A 50 13.285 10.213 4.001 1.00 0.00 N ATOM 842 CZ ARG A 50 12.525 10.383 2.922 1.00 0.00 C ATOM 843 NH1 ARG A 50 11.217 10.160 2.979 1.00 0.00 N ATOM 844 NH2 ARG A 50 13.073 10.777 1.780 1.00 0.00 N ATOM 0 H ARG A 50 13.914 13.757 8.626 1.00 0.00 H new ATOM 0 HA ARG A 50 11.625 13.342 6.810 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.867 11.910 6.443 1.00 0.00 H new ATOM 0 HB3 ARG A 50 13.223 10.994 7.791 1.00 0.00 H new ATOM 0 HG2 ARG A 50 11.191 10.483 6.574 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.614 11.593 5.285 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.595 9.436 5.919 1.00 0.00 H new ATOM 0 HD3 ARG A 50 12.098 8.936 5.158 1.00 0.00 H new ATOM 0 HE ARG A 50 14.285 10.393 3.918 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.789 9.856 3.854 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.640 10.292 2.148 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.077 10.950 1.729 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.490 10.907 0.953 1.00 0.00 H new ATOM 858 N PRO A 51 10.226 12.441 8.724 1.00 0.00 N ATOM 859 CA PRO A 51 9.387 12.128 9.885 1.00 0.00 C ATOM 860 C PRO A 51 9.625 10.717 10.409 1.00 0.00 C ATOM 861 O PRO A 51 9.726 9.765 9.634 1.00 0.00 O ATOM 862 CB PRO A 51 7.962 12.265 9.343 1.00 0.00 C ATOM 863 CG PRO A 51 8.088 12.008 7.882 1.00 0.00 C ATOM 864 CD PRO A 51 9.435 12.543 7.483 1.00 0.00 C ATOM 0 HA PRO A 51 9.600 12.784 10.729 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.288 11.549 9.814 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.558 13.259 9.537 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.011 10.943 7.665 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.291 12.504 7.328 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.877 11.958 6.676 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.370 13.573 7.132 1.00 0.00 H new ATOM 872 N TRP A 52 9.714 10.587 11.729 1.00 0.00 N ATOM 873 CA TRP A 52 9.941 9.290 12.357 1.00 0.00 C ATOM 874 C TRP A 52 8.628 8.683 12.840 1.00 0.00 C ATOM 875 O TRP A 52 8.580 8.035 13.885 1.00 0.00 O ATOM 876 CB TRP A 52 10.914 9.431 13.529 1.00 0.00 C ATOM 877 CG TRP A 52 12.352 9.407 13.112 1.00 0.00 C ATOM 878 CD1 TRP A 52 13.320 10.307 13.452 1.00 0.00 C ATOM 879 CD2 TRP A 52 12.987 8.432 12.276 1.00 0.00 C ATOM 880 NE1 TRP A 52 14.517 9.953 12.879 1.00 0.00 N ATOM 881 CE2 TRP A 52 14.338 8.805 12.152 1.00 0.00 C ATOM 882 CE3 TRP A 52 12.543 7.280 11.621 1.00 0.00 C ATOM 883 CZ2 TRP A 52 15.248 8.067 11.400 1.00 0.00 C ATOM 884 CZ3 TRP A 52 13.447 6.547 10.875 1.00 0.00 C ATOM 885 CH2 TRP A 52 14.787 6.943 10.770 1.00 0.00 C ATOM 0 H TRP A 52 9.632 11.364 12.385 1.00 0.00 H new ATOM 0 HA TRP A 52 10.376 8.624 11.612 1.00 0.00 H new ATOM 0 HB2 TRP A 52 10.710 10.366 14.051 1.00 0.00 H new ATOM 0 HB3 TRP A 52 10.735 8.624 14.239 1.00 0.00 H new ATOM 0 HD1 TRP A 52 13.167 11.172 14.080 1.00 0.00 H new ATOM 0 HE1 TRP A 52 15.396 10.461 12.978 1.00 0.00 H new ATOM 0 HE3 TRP A 52 11.512 6.968 11.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 16.281 8.371 11.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 13.115 5.655 10.365 1.00 0.00 H new ATOM 0 HH2 TRP A 52 15.470 6.349 10.180 1.00 0.00 H new ATOM 896 N GLY A 53 7.565 8.895 12.070 1.00 0.00 N ATOM 897 CA GLY A 53 6.267 8.361 12.437 1.00 0.00 C ATOM 898 C GLY A 53 5.911 7.111 11.656 1.00 0.00 C ATOM 899 O GLY A 53 6.088 5.995 12.144 1.00 0.00 O ATOM 0 H GLY A 53 7.580 9.426 11.200 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.259 8.134 13.503 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.504 9.121 12.268 1.00 0.00 H new ATOM 903 N GLY A 54 5.409 7.299 10.440 1.00 0.00 N ATOM 904 CA GLY A 54 5.036 6.170 9.609 1.00 0.00 C ATOM 905 C GLY A 54 3.748 5.514 10.064 1.00 0.00 C ATOM 906 O GLY A 54 2.943 6.131 10.762 1.00 0.00 O ATOM 0 H GLY A 54 5.254 8.213 10.015 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.925 6.504 8.577 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.839 5.433 9.621 1.00 0.00 H new ATOM 910 N GLY A 55 3.552 4.261 9.671 1.00 0.00 N ATOM 911 CA GLY A 55 2.351 3.541 10.052 1.00 0.00 C ATOM 912 C GLY A 55 2.644 2.131 10.525 1.00 0.00 C ATOM 913 O GLY A 55 3.587 1.495 10.054 1.00 0.00 O ATOM 0 H GLY A 55 4.204 3.730 9.094 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.840 4.088 10.844 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.670 3.501 9.202 1.00 0.00 H new ATOM 917 N PHE A 56 1.835 1.641 11.459 1.00 0.00 N ATOM 918 CA PHE A 56 2.012 0.297 11.996 1.00 0.00 C ATOM 919 C PHE A 56 0.676 -0.291 12.441 1.00 0.00 C ATOM 920 O PHE A 56 -0.203 0.429 12.916 1.00 0.00 O ATOM 921 CB PHE A 56 2.990 0.320 13.173 1.00 0.00 C ATOM 922 CG PHE A 56 2.686 1.389 14.184 1.00 0.00 C ATOM 923 CD1 PHE A 56 2.908 2.724 13.889 1.00 0.00 C ATOM 924 CD2 PHE A 56 2.178 1.057 15.430 1.00 0.00 C ATOM 925 CE1 PHE A 56 2.630 3.709 14.817 1.00 0.00 C ATOM 926 CE2 PHE A 56 1.898 2.038 16.362 1.00 0.00 C ATOM 927 CZ PHE A 56 2.124 3.365 16.056 1.00 0.00 C ATOM 0 H PHE A 56 1.050 2.155 11.860 1.00 0.00 H new ATOM 0 HA PHE A 56 2.421 -0.333 11.206 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.974 -0.651 13.667 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.001 0.468 12.792 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.303 2.998 12.922 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.999 0.021 15.675 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.808 4.746 14.574 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.502 1.767 17.330 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.906 4.133 16.784 1.00 0.00 H new ATOM 937 N GLY A 57 0.532 -1.602 12.285 1.00 0.00 N ATOM 938 CA GLY A 57 -0.698 -2.264 12.676 1.00 0.00 C ATOM 939 C GLY A 57 -0.632 -3.767 12.491 1.00 0.00 C ATOM 940 O GLY A 57 0.421 -4.377 12.684 1.00 0.00 O ATOM 0 H GLY A 57 1.245 -2.218 11.895 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.912 -2.039 13.721 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.525 -1.865 12.088 1.00 0.00 H new ATOM 944 N LEU A 58 -1.757 -4.367 12.116 1.00 0.00 N ATOM 945 CA LEU A 58 -1.822 -5.808 11.906 1.00 0.00 C ATOM 946 C LEU A 58 -2.604 -6.139 10.639 1.00 0.00 C ATOM 947 O LEU A 58 -3.252 -5.271 10.053 1.00 0.00 O ATOM 948 CB LEU A 58 -2.469 -6.492 13.112 1.00 0.00 C ATOM 949 CG LEU A 58 -1.516 -6.803 14.268 1.00 0.00 C ATOM 950 CD1 LEU A 58 -1.468 -5.640 15.246 1.00 0.00 C ATOM 951 CD2 LEU A 58 -1.939 -8.081 14.976 1.00 0.00 C ATOM 0 H LEU A 58 -2.636 -3.877 11.951 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.804 -6.179 11.790 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.272 -5.855 13.484 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.928 -7.423 12.779 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.515 -6.950 13.861 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.785 -5.878 16.062 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.119 -4.745 14.731 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.465 -5.461 15.648 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.251 -8.288 15.796 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.948 -7.961 15.371 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.922 -8.911 14.270 1.00 0.00 H new ATOM 963 N SER A 59 -2.540 -7.399 10.223 1.00 0.00 N ATOM 964 CA SER A 59 -3.244 -7.847 9.026 1.00 0.00 C ATOM 965 C SER A 59 -4.100 -9.072 9.327 1.00 0.00 C ATOM 966 O SER A 59 -3.694 -9.957 10.079 1.00 0.00 O ATOM 967 CB SER A 59 -2.245 -8.169 7.914 1.00 0.00 C ATOM 968 OG SER A 59 -2.750 -7.783 6.647 1.00 0.00 O ATOM 0 H SER A 59 -2.008 -8.129 10.697 1.00 0.00 H new ATOM 0 HA SER A 59 -3.899 -7.041 8.695 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.304 -7.654 8.106 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.029 -9.237 7.913 1.00 0.00 H new ATOM 0 HG SER A 59 -3.721 -7.667 6.704 1.00 0.00 H new ATOM 974 N ARG A 60 -5.289 -9.117 8.734 1.00 0.00 N ATOM 975 CA ARG A 60 -6.204 -10.234 8.939 1.00 0.00 C ATOM 976 C ARG A 60 -6.313 -11.087 7.679 1.00 0.00 C ATOM 977 O ARG A 60 -6.213 -10.578 6.562 1.00 0.00 O ATOM 978 CB ARG A 60 -7.586 -9.720 9.347 1.00 0.00 C ATOM 979 CG ARG A 60 -8.166 -10.434 10.557 1.00 0.00 C ATOM 980 CD ARG A 60 -9.664 -10.198 10.679 1.00 0.00 C ATOM 981 NE ARG A 60 -10.325 -11.256 11.438 1.00 0.00 N ATOM 982 CZ ARG A 60 -10.182 -11.428 12.750 1.00 0.00 C ATOM 983 NH1 ARG A 60 -9.404 -10.615 13.452 1.00 0.00 N ATOM 984 NH2 ARG A 60 -10.819 -12.418 13.361 1.00 0.00 N ATOM 0 H ARG A 60 -5.641 -8.393 8.108 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.806 -10.856 9.741 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.519 -8.653 9.562 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.270 -9.833 8.506 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.970 -11.503 10.478 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.667 -10.085 11.461 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.841 -9.238 11.165 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.104 -10.137 9.683 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.932 -11.901 10.933 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.911 -9.853 12.987 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.298 -10.752 14.457 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.418 -13.047 12.825 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.710 -12.551 14.366 1.00 0.00 H new ATOM 998 N TRP A 61 -6.517 -12.386 7.866 1.00 0.00 N ATOM 999 CA TRP A 61 -6.639 -13.312 6.745 1.00 0.00 C ATOM 1000 C TRP A 61 -8.050 -13.887 6.666 1.00 0.00 C ATOM 1001 O TRP A 61 -8.691 -14.127 7.689 1.00 0.00 O ATOM 1002 CB TRP A 61 -5.621 -14.445 6.876 1.00 0.00 C ATOM 1003 CG TRP A 61 -4.244 -13.970 7.233 1.00 0.00 C ATOM 1004 CD1 TRP A 61 -3.833 -13.482 8.440 1.00 0.00 C ATOM 1005 CD2 TRP A 61 -3.099 -13.938 6.374 1.00 0.00 C ATOM 1006 NE1 TRP A 61 -2.501 -13.149 8.384 1.00 0.00 N ATOM 1007 CE2 TRP A 61 -2.028 -13.419 7.127 1.00 0.00 C ATOM 1008 CE3 TRP A 61 -2.875 -14.298 5.043 1.00 0.00 C ATOM 1009 CZ2 TRP A 61 -0.754 -13.252 6.591 1.00 0.00 C ATOM 1010 CZ3 TRP A 61 -1.609 -14.131 4.512 1.00 0.00 C ATOM 1011 CH2 TRP A 61 -0.563 -13.612 5.285 1.00 0.00 C ATOM 0 H TRP A 61 -6.602 -12.823 8.784 1.00 0.00 H new ATOM 0 HA TRP A 61 -6.438 -12.759 5.827 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -5.964 -15.146 7.637 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -5.576 -14.993 5.935 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -4.462 -13.374 9.311 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -1.953 -12.763 9.153 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.676 -14.699 4.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 0.055 -12.853 7.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.424 -14.405 3.484 1.00 0.00 H new ATOM 0 HH2 TRP A 61 0.414 -13.494 4.841 1.00 0.00 H new ATOM 1022 N ASP A 62 -8.526 -14.108 5.445 1.00 0.00 N ATOM 1023 CA ASP A 62 -9.860 -14.657 5.232 1.00 0.00 C ATOM 1024 C ASP A 62 -9.798 -15.913 4.369 1.00 0.00 C ATOM 1025 O ASP A 62 -9.166 -15.922 3.312 1.00 0.00 O ATOM 1026 CB ASP A 62 -10.767 -13.613 4.577 1.00 0.00 C ATOM 1027 CG ASP A 62 -11.908 -13.188 5.481 1.00 0.00 C ATOM 1028 OD1 ASP A 62 -12.943 -12.727 4.956 1.00 0.00 O ATOM 1029 OD2 ASP A 62 -11.766 -13.317 6.716 1.00 0.00 O ATOM 0 H ASP A 62 -8.008 -13.915 4.588 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.275 -14.926 6.203 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.175 -12.738 4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.173 -14.019 3.651 1.00 0.00 H new ATOM 1035 N GLU A 63 -10.459 -16.972 4.830 1.00 0.00 N ATOM 1036 CA GLU A 63 -10.483 -18.240 4.108 1.00 0.00 C ATOM 1037 C GLU A 63 -11.006 -18.063 2.684 1.00 0.00 C ATOM 1038 O GLU A 63 -10.759 -18.902 1.817 1.00 0.00 O ATOM 1039 CB GLU A 63 -11.348 -19.256 4.855 1.00 0.00 C ATOM 1040 CG GLU A 63 -10.798 -19.636 6.221 1.00 0.00 C ATOM 1041 CD GLU A 63 -11.688 -20.621 6.953 1.00 0.00 C ATOM 1042 OE1 GLU A 63 -12.927 -20.499 6.843 1.00 0.00 O ATOM 1043 OE2 GLU A 63 -11.147 -21.515 7.638 1.00 0.00 O ATOM 0 H GLU A 63 -10.986 -16.976 5.703 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.459 -18.608 4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.351 -18.847 4.977 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.443 -20.156 4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.805 -20.069 6.101 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.683 -18.736 6.826 1.00 0.00 H new ATOM 1051 N LYS A 64 -11.729 -16.972 2.445 1.00 0.00 N ATOM 1052 CA LYS A 64 -12.283 -16.697 1.124 1.00 0.00 C ATOM 1053 C LYS A 64 -11.317 -15.868 0.279 1.00 0.00 C ATOM 1054 O LYS A 64 -11.735 -15.148 -0.628 1.00 0.00 O ATOM 1055 CB LYS A 64 -13.620 -15.966 1.252 1.00 0.00 C ATOM 1056 CG LYS A 64 -14.565 -16.216 0.088 1.00 0.00 C ATOM 1057 CD LYS A 64 -16.016 -16.215 0.538 1.00 0.00 C ATOM 1058 CE LYS A 64 -16.536 -17.629 0.747 1.00 0.00 C ATOM 1059 NZ LYS A 64 -17.879 -17.638 1.391 1.00 0.00 N ATOM 0 H LYS A 64 -11.944 -16.265 3.148 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.441 -17.652 0.623 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.107 -16.276 2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.433 -14.895 1.333 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.418 -15.449 -0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.327 -17.174 -0.376 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.110 -15.651 1.466 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.629 -15.707 -0.207 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.591 -18.141 -0.214 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.833 -18.186 1.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.198 -18.620 1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.822 -17.172 2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.556 -17.128 0.789 1.00 0.00 H new ATOM 1073 N GLY A 65 -10.024 -15.975 0.576 1.00 0.00 N ATOM 1074 CA GLY A 65 -9.027 -15.230 -0.170 1.00 0.00 C ATOM 1075 C GLY A 65 -9.153 -13.733 0.025 1.00 0.00 C ATOM 1076 O GLY A 65 -9.256 -12.980 -0.943 1.00 0.00 O ATOM 0 H GLY A 65 -9.650 -16.564 1.320 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.032 -15.551 0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.122 -15.464 -1.230 1.00 0.00 H new ATOM 1080 N ASN A 66 -9.143 -13.297 1.282 1.00 0.00 N ATOM 1081 CA ASN A 66 -9.255 -11.877 1.596 1.00 0.00 C ATOM 1082 C ASN A 66 -8.191 -11.457 2.606 1.00 0.00 C ATOM 1083 O ASN A 66 -8.198 -11.904 3.753 1.00 0.00 O ATOM 1084 CB ASN A 66 -10.651 -11.563 2.142 1.00 0.00 C ATOM 1085 CG ASN A 66 -11.509 -10.819 1.136 1.00 0.00 C ATOM 1086 OD1 ASN A 66 -11.929 -11.381 0.124 1.00 0.00 O ATOM 1087 ND2 ASN A 66 -11.774 -9.547 1.411 1.00 0.00 N ATOM 0 H ASN A 66 -9.059 -13.905 2.097 1.00 0.00 H new ATOM 0 HA ASN A 66 -9.098 -11.313 0.677 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.147 -12.493 2.422 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.558 -10.966 3.049 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -12.346 -8.996 0.772 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.405 -9.122 2.262 1.00 0.00 H new ATOM 1094 N TRP A 67 -7.278 -10.594 2.170 1.00 0.00 N ATOM 1095 CA TRP A 67 -6.208 -10.114 3.037 1.00 0.00 C ATOM 1096 C TRP A 67 -6.476 -8.683 3.490 1.00 0.00 C ATOM 1097 O TRP A 67 -6.191 -7.728 2.767 1.00 0.00 O ATOM 1098 CB TRP A 67 -4.863 -10.188 2.311 1.00 0.00 C ATOM 1099 CG TRP A 67 -3.696 -10.340 3.237 1.00 0.00 C ATOM 1100 CD1 TRP A 67 -3.699 -10.921 4.473 1.00 0.00 C ATOM 1101 CD2 TRP A 67 -2.352 -9.904 3.002 1.00 0.00 C ATOM 1102 NE1 TRP A 67 -2.440 -10.872 5.020 1.00 0.00 N ATOM 1103 CE2 TRP A 67 -1.596 -10.252 4.136 1.00 0.00 C ATOM 1104 CE3 TRP A 67 -1.715 -9.251 1.942 1.00 0.00 C ATOM 1105 CZ2 TRP A 67 -0.235 -9.971 4.240 1.00 0.00 C ATOM 1106 CZ3 TRP A 67 -0.366 -8.974 2.046 1.00 0.00 C ATOM 1107 CH2 TRP A 67 0.361 -9.333 3.187 1.00 0.00 C ATOM 0 H TRP A 67 -7.258 -10.214 1.224 1.00 0.00 H new ATOM 0 HA TRP A 67 -6.173 -10.755 3.918 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.879 -11.028 1.617 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.730 -9.285 1.715 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -4.565 -11.355 4.951 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.176 -11.237 5.935 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -2.268 -8.969 1.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.328 -10.247 5.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 0.137 -8.472 1.233 1.00 0.00 H new ATOM 0 HH2 TRP A 67 1.415 -9.101 3.237 1.00 0.00 H new ATOM 1118 N HIS A 68 -7.025 -8.540 4.692 1.00 0.00 N ATOM 1119 CA HIS A 68 -7.332 -7.225 5.242 1.00 0.00 C ATOM 1120 C HIS A 68 -6.066 -6.541 5.751 1.00 0.00 C ATOM 1121 O HIS A 68 -5.131 -7.201 6.203 1.00 0.00 O ATOM 1122 CB HIS A 68 -8.354 -7.348 6.374 1.00 0.00 C ATOM 1123 CG HIS A 68 -9.727 -6.893 5.991 1.00 0.00 C ATOM 1124 ND1 HIS A 68 -10.236 -5.659 6.336 1.00 0.00 N ATOM 1125 CD2 HIS A 68 -10.703 -7.515 5.286 1.00 0.00 C ATOM 1126 CE1 HIS A 68 -11.463 -5.541 5.862 1.00 0.00 C ATOM 1127 NE2 HIS A 68 -11.770 -6.653 5.221 1.00 0.00 N ATOM 0 H HIS A 68 -7.266 -9.319 5.304 1.00 0.00 H new ATOM 0 HA HIS A 68 -7.758 -6.614 4.446 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -8.402 -8.388 6.698 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -8.011 -6.763 7.228 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -10.651 -8.504 4.856 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -12.106 -4.681 5.979 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -12.656 -6.842 4.753 1.00 0.00 H new ATOM 1136 N GLY A 69 -6.045 -5.214 5.674 1.00 0.00 N ATOM 1137 CA GLY A 69 -4.890 -4.464 6.130 1.00 0.00 C ATOM 1138 C GLY A 69 -5.274 -3.264 6.974 1.00 0.00 C ATOM 1139 O GLY A 69 -6.011 -2.388 6.521 1.00 0.00 O ATOM 0 H GLY A 69 -6.807 -4.645 5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.241 -5.120 6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.315 -4.128 5.267 1.00 0.00 H new ATOM 1143 N LEU A 70 -4.776 -3.226 8.206 1.00 0.00 N ATOM 1144 CA LEU A 70 -5.072 -2.125 9.115 1.00 0.00 C ATOM 1145 C LEU A 70 -3.797 -1.601 9.768 1.00 0.00 C ATOM 1146 O LEU A 70 -3.059 -2.354 10.404 1.00 0.00 O ATOM 1147 CB LEU A 70 -6.062 -2.576 10.192 1.00 0.00 C ATOM 1148 CG LEU A 70 -7.526 -2.616 9.750 1.00 0.00 C ATOM 1149 CD1 LEU A 70 -7.832 -3.922 9.033 1.00 0.00 C ATOM 1150 CD2 LEU A 70 -8.447 -2.432 10.946 1.00 0.00 C ATOM 0 H LEU A 70 -4.166 -3.944 8.597 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.520 -1.318 8.535 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.775 -3.570 10.535 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.975 -1.906 11.047 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.699 -1.796 9.054 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.878 -3.932 8.726 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.195 -4.012 8.153 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.643 -4.759 9.705 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.485 -2.463 10.614 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.272 -3.231 11.666 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.245 -1.470 11.416 1.00 0.00 H new ATOM 1162 N TYR A 71 -3.544 -0.306 9.606 1.00 0.00 N ATOM 1163 CA TYR A 71 -2.359 0.318 10.180 1.00 0.00 C ATOM 1164 C TYR A 71 -2.600 1.801 10.445 1.00 0.00 C ATOM 1165 O TYR A 71 -3.117 2.520 9.589 1.00 0.00 O ATOM 1166 CB TYR A 71 -1.161 0.145 9.242 1.00 0.00 C ATOM 1167 CG TYR A 71 -1.477 0.441 7.794 1.00 0.00 C ATOM 1168 CD1 TYR A 71 -2.147 -0.487 7.006 1.00 0.00 C ATOM 1169 CD2 TYR A 71 -1.105 1.646 7.215 1.00 0.00 C ATOM 1170 CE1 TYR A 71 -2.438 -0.221 5.682 1.00 0.00 C ATOM 1171 CE2 TYR A 71 -1.393 1.921 5.891 1.00 0.00 C ATOM 1172 CZ TYR A 71 -2.059 0.985 5.129 1.00 0.00 C ATOM 1173 OH TYR A 71 -2.346 1.254 3.811 1.00 0.00 O ATOM 0 H TYR A 71 -4.144 0.331 9.082 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.144 -0.173 11.129 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -0.355 0.802 9.571 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.792 -0.877 9.323 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.445 -1.432 7.436 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.582 2.381 7.808 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.959 -0.953 5.083 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.098 2.864 5.456 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.012 2.146 3.579 1.00 0.00 H new ATOM 1183 N ALA A 72 -2.224 2.251 11.638 1.00 0.00 N ATOM 1184 CA ALA A 72 -2.400 3.648 12.016 1.00 0.00 C ATOM 1185 C ALA A 72 -1.211 4.492 11.572 1.00 0.00 C ATOM 1186 O ALA A 72 -0.081 4.266 12.004 1.00 0.00 O ATOM 1187 CB ALA A 72 -2.600 3.766 13.520 1.00 0.00 C ATOM 0 H ALA A 72 -1.796 1.669 12.358 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.289 4.026 11.510 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.730 4.814 13.789 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.486 3.203 13.815 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.727 3.365 14.036 1.00 0.00 H new ATOM 1193 N MET A 73 -1.474 5.465 10.706 1.00 0.00 N ATOM 1194 CA MET A 73 -0.425 6.344 10.203 1.00 0.00 C ATOM 1195 C MET A 73 -0.283 7.582 11.082 1.00 0.00 C ATOM 1196 O MET A 73 -1.272 8.111 11.590 1.00 0.00 O ATOM 1197 CB MET A 73 -0.728 6.759 8.762 1.00 0.00 C ATOM 1198 CG MET A 73 0.513 6.897 7.895 1.00 0.00 C ATOM 1199 SD MET A 73 0.264 8.006 6.496 1.00 0.00 S ATOM 1200 CE MET A 73 1.907 8.696 6.314 1.00 0.00 C ATOM 0 H MET A 73 -2.404 5.665 10.338 1.00 0.00 H new ATOM 0 HA MET A 73 0.517 5.795 10.226 1.00 0.00 H new ATOM 0 HB2 MET A 73 -1.395 6.023 8.313 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.262 7.709 8.771 1.00 0.00 H new ATOM 0 HG2 MET A 73 1.338 7.267 8.504 1.00 0.00 H new ATOM 0 HG3 MET A 73 0.805 5.914 7.526 1.00 0.00 H new ATOM 0 HE1 MET A 73 1.915 9.404 5.485 1.00 0.00 H new ATOM 0 HE2 MET A 73 2.190 9.210 7.233 1.00 0.00 H new ATOM 0 HE3 MET A 73 2.618 7.895 6.113 1.00 0.00 H new ATOM 1210 N ALA A 74 0.952 8.037 11.258 1.00 0.00 N ATOM 1211 CA ALA A 74 1.224 9.212 12.075 1.00 0.00 C ATOM 1212 C ALA A 74 2.354 10.044 11.481 1.00 0.00 C ATOM 1213 O ALA A 74 3.353 9.503 11.004 1.00 0.00 O ATOM 1214 CB ALA A 74 1.565 8.797 13.499 1.00 0.00 C ATOM 0 H ALA A 74 1.781 7.609 10.845 1.00 0.00 H new ATOM 0 HA ALA A 74 0.325 9.828 12.092 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.766 9.685 14.098 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.726 8.251 13.930 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.448 8.158 13.490 1.00 0.00 H new ATOM 1220 N PHE A 75 2.193 11.363 11.512 1.00 0.00 N ATOM 1221 CA PHE A 75 3.201 12.270 10.976 1.00 0.00 C ATOM 1222 C PHE A 75 3.964 12.961 12.101 1.00 0.00 C ATOM 1223 O PHE A 75 3.422 13.823 12.793 1.00 0.00 O ATOM 1224 CB PHE A 75 2.547 13.314 10.070 1.00 0.00 C ATOM 1225 CG PHE A 75 3.514 14.001 9.149 1.00 0.00 C ATOM 1226 CD1 PHE A 75 4.072 13.320 8.079 1.00 0.00 C ATOM 1227 CD2 PHE A 75 3.865 15.325 9.353 1.00 0.00 C ATOM 1228 CE1 PHE A 75 4.964 13.948 7.229 1.00 0.00 C ATOM 1229 CE2 PHE A 75 4.756 15.958 8.507 1.00 0.00 C ATOM 1230 CZ PHE A 75 5.305 15.270 7.444 1.00 0.00 C ATOM 0 H PHE A 75 1.373 11.828 11.903 1.00 0.00 H new ATOM 0 HA PHE A 75 3.908 11.683 10.390 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.771 12.832 9.475 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.054 14.063 10.690 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.807 12.287 7.907 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.438 15.869 10.182 1.00 0.00 H new ATOM 0 HE1 PHE A 75 5.393 13.407 6.399 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.023 16.991 8.678 1.00 0.00 H new ATOM 0 HZ PHE A 75 6.000 15.764 6.781 1.00 0.00 H new ATOM 1240 N LYS A 76 5.225 12.579 12.275 1.00 0.00 N ATOM 1241 CA LYS A 76 6.063 13.164 13.315 1.00 0.00 C ATOM 1242 C LYS A 76 6.673 14.481 12.846 1.00 0.00 C ATOM 1243 O LYS A 76 7.155 14.586 11.717 1.00 0.00 O ATOM 1244 CB LYS A 76 7.172 12.188 13.714 1.00 0.00 C ATOM 1245 CG LYS A 76 6.745 11.178 14.764 1.00 0.00 C ATOM 1246 CD LYS A 76 7.139 11.627 16.163 1.00 0.00 C ATOM 1247 CE LYS A 76 6.714 10.614 17.213 1.00 0.00 C ATOM 1248 NZ LYS A 76 5.235 10.577 17.384 1.00 0.00 N ATOM 0 H LYS A 76 5.689 11.868 11.710 1.00 0.00 H new ATOM 0 HA LYS A 76 5.435 13.365 14.183 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.512 11.655 12.826 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.024 12.754 14.091 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.665 11.037 14.717 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.202 10.212 14.548 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.219 11.770 16.210 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.680 12.592 16.380 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.071 9.624 16.928 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.183 10.860 18.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.999 10.685 18.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.803 11.352 16.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.868 9.667 17.039 1.00 0.00 H new ATOM 1262 N ASP A 77 6.649 15.483 13.718 1.00 0.00 N ATOM 1263 CA ASP A 77 7.200 16.794 13.392 1.00 0.00 C ATOM 1264 C ASP A 77 8.656 16.897 13.833 1.00 0.00 C ATOM 1265 O ASP A 77 9.222 15.944 14.369 1.00 0.00 O ATOM 1266 CB ASP A 77 6.374 17.896 14.057 1.00 0.00 C ATOM 1267 CG ASP A 77 6.281 19.144 13.201 1.00 0.00 C ATOM 1268 OD1 ASP A 77 6.472 20.253 13.743 1.00 0.00 O ATOM 1269 OD2 ASP A 77 6.015 19.013 11.987 1.00 0.00 O ATOM 0 H ASP A 77 6.254 15.413 14.656 1.00 0.00 H new ATOM 0 HA ASP A 77 7.158 16.920 12.310 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.370 17.522 14.260 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.820 18.150 15.019 1.00 0.00 H new ATOM 1275 N SER A 78 9.258 18.059 13.602 1.00 0.00 N ATOM 1276 CA SER A 78 10.649 18.287 13.975 1.00 0.00 C ATOM 1277 C SER A 78 10.779 18.523 15.476 1.00 0.00 C ATOM 1278 O SER A 78 11.794 18.181 16.083 1.00 0.00 O ATOM 1279 CB SER A 78 11.215 19.484 13.208 1.00 0.00 C ATOM 1280 OG SER A 78 10.796 20.707 13.787 1.00 0.00 O ATOM 0 H SER A 78 8.804 18.857 13.158 1.00 0.00 H new ATOM 0 HA SER A 78 11.219 17.395 13.715 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.304 19.435 13.204 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.890 19.440 12.169 1.00 0.00 H new ATOM 0 HG SER A 78 11.173 21.456 13.279 1.00 0.00 H new ATOM 1286 N TRP A 79 9.744 19.110 16.070 1.00 0.00 N ATOM 1287 CA TRP A 79 9.743 19.391 17.501 1.00 0.00 C ATOM 1288 C TRP A 79 8.703 18.539 18.223 1.00 0.00 C ATOM 1289 O TRP A 79 9.047 17.617 18.962 1.00 0.00 O ATOM 1290 CB TRP A 79 9.466 20.875 17.750 1.00 0.00 C ATOM 1291 CG TRP A 79 10.698 21.726 17.697 1.00 0.00 C ATOM 1292 CD1 TRP A 79 11.009 22.658 16.747 1.00 0.00 C ATOM 1293 CD2 TRP A 79 11.783 21.724 18.630 1.00 0.00 C ATOM 1294 NE1 TRP A 79 12.223 23.234 17.035 1.00 0.00 N ATOM 1295 CE2 TRP A 79 12.718 22.678 18.185 1.00 0.00 C ATOM 1296 CE3 TRP A 79 12.057 21.009 19.799 1.00 0.00 C ATOM 1297 CZ2 TRP A 79 13.904 22.935 18.868 1.00 0.00 C ATOM 1298 CZ3 TRP A 79 13.235 21.264 20.476 1.00 0.00 C ATOM 1299 CH2 TRP A 79 14.145 22.219 20.009 1.00 0.00 C ATOM 0 H TRP A 79 8.896 19.400 15.583 1.00 0.00 H new ATOM 0 HA TRP A 79 10.728 19.141 17.896 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.753 21.234 17.008 1.00 0.00 H new ATOM 0 HB3 TRP A 79 8.995 20.991 18.726 1.00 0.00 H new ATOM 0 HD1 TRP A 79 10.392 22.905 15.896 1.00 0.00 H new ATOM 0 HE1 TRP A 79 12.681 23.958 16.482 1.00 0.00 H new ATOM 0 HE3 TRP A 79 11.361 20.270 20.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 14.608 23.672 18.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 13.457 20.717 21.380 1.00 0.00 H new ATOM 0 HH2 TRP A 79 15.057 22.395 20.561 1.00 0.00 H new ATOM 1310 N ASN A 80 7.431 18.854 18.001 1.00 0.00 N ATOM 1311 CA ASN A 80 6.341 18.117 18.631 1.00 0.00 C ATOM 1312 C ASN A 80 5.000 18.488 18.005 1.00 0.00 C ATOM 1313 O ASN A 80 4.360 19.455 18.413 1.00 0.00 O ATOM 1314 CB ASN A 80 6.310 18.396 20.134 1.00 0.00 C ATOM 1315 CG ASN A 80 5.948 17.167 20.944 1.00 0.00 C ATOM 1316 OD1 ASN A 80 5.225 16.289 20.471 1.00 0.00 O ATOM 1317 ND2 ASN A 80 6.451 17.098 22.171 1.00 0.00 N ATOM 0 H ASN A 80 7.130 19.614 17.390 1.00 0.00 H new ATOM 0 HA ASN A 80 6.515 17.053 18.470 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.286 18.763 20.453 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.589 19.188 20.339 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.243 16.294 22.763 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.046 17.849 22.521 1.00 0.00 H new ATOM 1324 N LYS A 81 4.582 17.710 17.011 1.00 0.00 N ATOM 1325 CA LYS A 81 3.317 17.957 16.327 1.00 0.00 C ATOM 1326 C LYS A 81 2.827 16.696 15.619 1.00 0.00 C ATOM 1327 O LYS A 81 2.514 16.718 14.429 1.00 0.00 O ATOM 1328 CB LYS A 81 3.473 19.104 15.323 1.00 0.00 C ATOM 1329 CG LYS A 81 2.948 20.435 15.836 1.00 0.00 C ATOM 1330 CD LYS A 81 4.076 21.330 16.324 1.00 0.00 C ATOM 1331 CE LYS A 81 3.635 22.192 17.496 1.00 0.00 C ATOM 1332 NZ LYS A 81 4.789 22.621 18.334 1.00 0.00 N ATOM 0 H LYS A 81 5.100 16.904 16.662 1.00 0.00 H new ATOM 0 HA LYS A 81 2.574 18.240 17.073 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.527 19.212 15.068 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.948 18.845 14.404 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.399 20.941 15.042 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.244 20.260 16.649 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.926 20.716 16.622 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.414 21.969 15.508 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.110 23.072 17.123 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.927 21.635 18.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.447 23.207 19.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.275 21.782 18.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.452 23.174 17.754 1.00 0.00 H new ATOM 1346 N TRP A 82 2.760 15.596 16.362 1.00 0.00 N ATOM 1347 CA TRP A 82 2.306 14.326 15.807 1.00 0.00 C ATOM 1348 C TRP A 82 0.866 14.431 15.316 1.00 0.00 C ATOM 1349 O TRP A 82 -0.028 14.827 16.065 1.00 0.00 O ATOM 1350 CB TRP A 82 2.421 13.217 16.854 1.00 0.00 C ATOM 1351 CG TRP A 82 1.694 13.525 18.128 1.00 0.00 C ATOM 1352 CD1 TRP A 82 2.198 14.162 19.225 1.00 0.00 C ATOM 1353 CD2 TRP A 82 0.332 13.209 18.436 1.00 0.00 C ATOM 1354 NE1 TRP A 82 1.232 14.262 20.197 1.00 0.00 N ATOM 1355 CE2 TRP A 82 0.077 13.684 19.737 1.00 0.00 C ATOM 1356 CE3 TRP A 82 -0.698 12.570 17.739 1.00 0.00 C ATOM 1357 CZ2 TRP A 82 -1.164 13.541 20.352 1.00 0.00 C ATOM 1358 CZ3 TRP A 82 -1.929 12.428 18.351 1.00 0.00 C ATOM 1359 CH2 TRP A 82 -2.153 12.912 19.646 1.00 0.00 C ATOM 0 H TRP A 82 3.014 15.558 17.349 1.00 0.00 H new ATOM 0 HA TRP A 82 2.944 14.081 14.958 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.029 12.290 16.435 1.00 0.00 H new ATOM 0 HB3 TRP A 82 3.474 13.046 17.077 1.00 0.00 H new ATOM 0 HD1 TRP A 82 3.208 14.533 19.316 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.354 14.696 21.112 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -0.534 12.194 16.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -1.340 13.913 21.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -2.732 11.936 17.822 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -3.126 12.786 20.097 1.00 0.00 H new ATOM 1370 N GLU A 83 0.647 14.077 14.053 1.00 0.00 N ATOM 1371 CA GLU A 83 -0.685 14.133 13.464 1.00 0.00 C ATOM 1372 C GLU A 83 -1.335 12.750 13.447 1.00 0.00 C ATOM 1373 O GLU A 83 -0.764 11.797 12.918 1.00 0.00 O ATOM 1374 CB GLU A 83 -0.611 14.689 12.040 1.00 0.00 C ATOM 1375 CG GLU A 83 -1.847 15.472 11.628 1.00 0.00 C ATOM 1376 CD GLU A 83 -1.621 16.302 10.379 1.00 0.00 C ATOM 1377 OE1 GLU A 83 -1.152 17.453 10.507 1.00 0.00 O ATOM 1378 OE2 GLU A 83 -1.913 15.801 9.273 1.00 0.00 O ATOM 0 H GLU A 83 1.375 13.749 13.419 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.297 14.795 14.077 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.263 15.335 11.956 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.465 13.863 11.344 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.671 14.779 11.456 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.147 16.127 12.446 1.00 0.00 H new ATOM 1386 N PRO A 84 -2.542 12.619 14.028 1.00 0.00 N ATOM 1387 CA PRO A 84 -3.260 11.342 14.073 1.00 0.00 C ATOM 1388 C PRO A 84 -3.874 10.975 12.726 1.00 0.00 C ATOM 1389 O PRO A 84 -4.617 11.759 12.137 1.00 0.00 O ATOM 1390 CB PRO A 84 -4.355 11.592 15.108 1.00 0.00 C ATOM 1391 CG PRO A 84 -4.620 13.056 15.024 1.00 0.00 C ATOM 1392 CD PRO A 84 -3.302 13.700 14.687 1.00 0.00 C ATOM 0 HA PRO A 84 -2.601 10.510 14.320 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.251 11.013 14.885 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -4.030 11.304 16.108 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -5.367 13.274 14.260 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -5.010 13.436 15.968 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -3.433 14.557 14.027 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.792 14.060 15.581 1.00 0.00 H new ATOM 1400 N ILE A 85 -3.559 9.776 12.245 1.00 0.00 N ATOM 1401 CA ILE A 85 -4.082 9.305 10.967 1.00 0.00 C ATOM 1402 C ILE A 85 -4.235 7.788 10.961 1.00 0.00 C ATOM 1403 O ILE A 85 -3.540 7.081 11.689 1.00 0.00 O ATOM 1404 CB ILE A 85 -3.168 9.722 9.798 1.00 0.00 C ATOM 1405 CG1 ILE A 85 -2.824 11.210 9.895 1.00 0.00 C ATOM 1406 CG2 ILE A 85 -3.837 9.413 8.467 1.00 0.00 C ATOM 1407 CD1 ILE A 85 -1.936 11.701 8.772 1.00 0.00 C ATOM 0 H ILE A 85 -2.945 9.114 12.720 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.061 9.767 10.836 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.242 9.150 9.859 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.748 11.789 9.896 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.329 11.399 10.848 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.180 9.713 7.651 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.035 8.343 8.399 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.777 9.961 8.396 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.734 12.764 8.906 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.996 11.149 8.783 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.437 11.545 7.817 1.00 0.00 H new ATOM 1419 N ALA A 86 -5.152 7.295 10.134 1.00 0.00 N ATOM 1420 CA ALA A 86 -5.397 5.860 10.035 1.00 0.00 C ATOM 1421 C ALA A 86 -5.550 5.429 8.580 1.00 0.00 C ATOM 1422 O ALA A 86 -5.964 6.217 7.729 1.00 0.00 O ATOM 1423 CB ALA A 86 -6.635 5.481 10.832 1.00 0.00 C ATOM 0 H ALA A 86 -5.736 7.867 9.524 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.535 5.339 10.453 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.806 4.408 10.750 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.489 5.746 11.879 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.499 6.017 10.439 1.00 0.00 H new ATOM 1429 N GLY A 87 -5.214 4.174 8.302 1.00 0.00 N ATOM 1430 CA GLY A 87 -5.322 3.660 6.949 1.00 0.00 C ATOM 1431 C GLY A 87 -5.653 2.181 6.914 1.00 0.00 C ATOM 1432 O GLY A 87 -5.082 1.391 7.666 1.00 0.00 O ATOM 0 H GLY A 87 -4.869 3.504 8.989 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.093 4.214 6.414 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.383 3.831 6.423 1.00 0.00 H new ATOM 1436 N TYR A 88 -6.581 1.806 6.040 1.00 0.00 N ATOM 1437 CA TYR A 88 -6.989 0.412 5.908 1.00 0.00 C ATOM 1438 C TYR A 88 -7.595 0.150 4.534 1.00 0.00 C ATOM 1439 O TYR A 88 -8.266 1.012 3.966 1.00 0.00 O ATOM 1440 CB TYR A 88 -7.997 0.049 7.001 1.00 0.00 C ATOM 1441 CG TYR A 88 -9.191 0.976 7.055 1.00 0.00 C ATOM 1442 CD1 TYR A 88 -10.175 0.930 6.075 1.00 0.00 C ATOM 1443 CD2 TYR A 88 -9.335 1.896 8.086 1.00 0.00 C ATOM 1444 CE1 TYR A 88 -11.267 1.775 6.120 1.00 0.00 C ATOM 1445 CE2 TYR A 88 -10.425 2.744 8.139 1.00 0.00 C ATOM 1446 CZ TYR A 88 -11.387 2.679 7.154 1.00 0.00 C ATOM 1447 OH TYR A 88 -12.474 3.522 7.203 1.00 0.00 O ATOM 0 H TYR A 88 -7.065 2.448 5.412 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.102 -0.212 6.018 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.346 -0.971 6.838 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.493 0.062 7.967 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.085 0.222 5.265 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.583 1.949 8.859 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -12.022 1.728 5.350 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.522 3.453 8.947 1.00 0.00 H new ATOM 0 HH TYR A 88 -12.408 4.096 7.995 1.00 0.00 H new ATOM 1457 N GLY A 89 -7.355 -1.045 4.004 1.00 0.00 N ATOM 1458 CA GLY A 89 -7.885 -1.398 2.700 1.00 0.00 C ATOM 1459 C GLY A 89 -7.836 -2.891 2.439 1.00 0.00 C ATOM 1460 O GLY A 89 -7.506 -3.674 3.330 1.00 0.00 O ATOM 0 H GLY A 89 -6.803 -1.775 4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.916 -1.053 2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.318 -0.878 1.928 1.00 0.00 H new ATOM 1464 N TRP A 90 -8.166 -3.286 1.213 1.00 0.00 N ATOM 1465 CA TRP A 90 -8.160 -4.695 0.836 1.00 0.00 C ATOM 1466 C TRP A 90 -6.902 -5.039 0.047 1.00 0.00 C ATOM 1467 O TRP A 90 -6.347 -4.196 -0.656 1.00 0.00 O ATOM 1468 CB TRP A 90 -9.402 -5.028 0.009 1.00 0.00 C ATOM 1469 CG TRP A 90 -10.666 -5.050 0.814 1.00 0.00 C ATOM 1470 CD1 TRP A 90 -10.911 -4.368 1.972 1.00 0.00 C ATOM 1471 CD2 TRP A 90 -11.857 -5.790 0.524 1.00 0.00 C ATOM 1472 NE1 TRP A 90 -12.182 -4.640 2.419 1.00 0.00 N ATOM 1473 CE2 TRP A 90 -12.783 -5.511 1.546 1.00 0.00 C ATOM 1474 CE3 TRP A 90 -12.231 -6.663 -0.502 1.00 0.00 C ATOM 1475 CZ2 TRP A 90 -14.057 -6.072 1.572 1.00 0.00 C ATOM 1476 CZ3 TRP A 90 -13.496 -7.219 -0.476 1.00 0.00 C ATOM 1477 CH2 TRP A 90 -14.396 -6.921 0.555 1.00 0.00 C ATOM 0 H TRP A 90 -8.441 -2.650 0.464 1.00 0.00 H new ATOM 0 HA TRP A 90 -8.170 -5.291 1.749 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.503 -4.296 -0.792 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -9.264 -6.000 -0.464 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -10.209 -3.711 2.464 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -12.609 -4.257 3.262 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -11.543 -6.899 -1.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -14.752 -5.845 2.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -13.796 -7.894 -1.264 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -15.378 -7.371 0.547 1.00 0.00 H new ATOM 1488 N GLU A 91 -6.455 -6.285 0.169 1.00 0.00 N ATOM 1489 CA GLU A 91 -5.261 -6.742 -0.532 1.00 0.00 C ATOM 1490 C GLU A 91 -5.464 -8.143 -1.099 1.00 0.00 C ATOM 1491 O GLU A 91 -5.922 -9.046 -0.398 1.00 0.00 O ATOM 1492 CB GLU A 91 -4.054 -6.728 0.409 1.00 0.00 C ATOM 1493 CG GLU A 91 -2.771 -6.256 -0.255 1.00 0.00 C ATOM 1494 CD GLU A 91 -2.545 -4.766 -0.091 1.00 0.00 C ATOM 1495 OE1 GLU A 91 -2.120 -4.119 -1.071 1.00 0.00 O ATOM 1496 OE2 GLU A 91 -2.792 -4.246 1.017 1.00 0.00 O ATOM 0 H GLU A 91 -6.902 -6.996 0.747 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.074 -6.059 -1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.273 -6.081 1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.901 -7.732 0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.926 -6.797 0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.804 -6.500 -1.317 1.00 0.00 H new ATOM 1504 N SER A 92 -5.119 -8.318 -2.371 1.00 0.00 N ATOM 1505 CA SER A 92 -5.262 -9.610 -3.032 1.00 0.00 C ATOM 1506 C SER A 92 -3.924 -10.090 -3.583 1.00 0.00 C ATOM 1507 O SER A 92 -3.389 -9.513 -4.530 1.00 0.00 O ATOM 1508 CB SER A 92 -6.289 -9.516 -4.163 1.00 0.00 C ATOM 1509 OG SER A 92 -7.203 -8.458 -3.936 1.00 0.00 O ATOM 0 H SER A 92 -4.738 -7.581 -2.964 1.00 0.00 H new ATOM 0 HA SER A 92 -5.610 -10.332 -2.293 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.776 -9.360 -5.112 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.831 -10.458 -4.245 1.00 0.00 H new ATOM 0 HG SER A 92 -7.847 -8.418 -4.673 1.00 0.00 H new ATOM 1515 N THR A 93 -3.388 -11.148 -2.985 1.00 0.00 N ATOM 1516 CA THR A 93 -2.111 -11.705 -3.416 1.00 0.00 C ATOM 1517 C THR A 93 -2.322 -12.863 -4.385 1.00 0.00 C ATOM 1518 O THR A 93 -3.253 -13.654 -4.230 1.00 0.00 O ATOM 1519 CB THR A 93 -1.303 -12.177 -2.207 1.00 0.00 C ATOM 1520 OG1 THR A 93 -1.510 -11.320 -1.099 1.00 0.00 O ATOM 1521 CG2 THR A 93 0.187 -12.237 -2.469 1.00 0.00 C ATOM 0 H THR A 93 -3.818 -11.637 -2.200 1.00 0.00 H new ATOM 0 HA THR A 93 -1.556 -10.921 -3.931 1.00 0.00 H new ATOM 0 HB THR A 93 -1.660 -13.185 -1.998 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.986 -11.640 -0.335 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.701 -12.579 -1.571 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.385 -12.930 -3.287 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.549 -11.245 -2.739 1.00 0.00 H new ATOM 1529 N TRP A 94 -1.452 -12.958 -5.385 1.00 0.00 N ATOM 1530 CA TRP A 94 -1.541 -14.020 -6.380 1.00 0.00 C ATOM 1531 C TRP A 94 -0.243 -14.818 -6.442 1.00 0.00 C ATOM 1532 O TRP A 94 0.838 -14.252 -6.605 1.00 0.00 O ATOM 1533 CB TRP A 94 -1.858 -13.432 -7.757 1.00 0.00 C ATOM 1534 CG TRP A 94 -3.325 -13.359 -8.047 1.00 0.00 C ATOM 1535 CD1 TRP A 94 -4.049 -12.238 -8.335 1.00 0.00 C ATOM 1536 CD2 TRP A 94 -4.250 -14.453 -8.079 1.00 0.00 C ATOM 1537 NE1 TRP A 94 -5.367 -12.567 -8.544 1.00 0.00 N ATOM 1538 CE2 TRP A 94 -5.515 -13.922 -8.392 1.00 0.00 C ATOM 1539 CE3 TRP A 94 -4.131 -15.830 -7.874 1.00 0.00 C ATOM 1540 CZ2 TRP A 94 -6.651 -14.719 -8.504 1.00 0.00 C ATOM 1541 CZ3 TRP A 94 -5.259 -16.621 -7.985 1.00 0.00 C ATOM 1542 CH2 TRP A 94 -6.504 -16.063 -8.299 1.00 0.00 C ATOM 0 H TRP A 94 -0.676 -12.311 -5.528 1.00 0.00 H new ATOM 0 HA TRP A 94 -2.346 -14.693 -6.085 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -1.431 -12.431 -7.824 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -1.373 -14.037 -8.523 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -3.645 -11.238 -8.391 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -6.113 -11.911 -8.774 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -3.174 -16.269 -7.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -7.613 -14.291 -8.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -5.179 -17.686 -7.827 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.367 -16.708 -8.381 1.00 0.00 H new ATOM 1553 N ARG A 95 -0.357 -16.136 -6.310 1.00 0.00 N ATOM 1554 CA ARG A 95 0.808 -17.013 -6.351 1.00 0.00 C ATOM 1555 C ARG A 95 0.644 -18.088 -7.423 1.00 0.00 C ATOM 1556 O ARG A 95 -0.066 -19.074 -7.219 1.00 0.00 O ATOM 1557 CB ARG A 95 1.023 -17.669 -4.985 1.00 0.00 C ATOM 1558 CG ARG A 95 -0.251 -18.230 -4.373 1.00 0.00 C ATOM 1559 CD ARG A 95 0.052 -19.299 -3.336 1.00 0.00 C ATOM 1560 NE ARG A 95 -0.874 -20.426 -3.423 1.00 0.00 N ATOM 1561 CZ ARG A 95 -0.803 -21.374 -4.354 1.00 0.00 C ATOM 1562 NH1 ARG A 95 0.150 -21.337 -5.277 1.00 0.00 N ATOM 1563 NH2 ARG A 95 -1.686 -22.362 -4.362 1.00 0.00 N ATOM 0 H ARG A 95 -1.244 -16.620 -6.174 1.00 0.00 H new ATOM 0 HA ARG A 95 1.680 -16.408 -6.600 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.752 -18.473 -5.088 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.452 -16.936 -4.302 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -0.819 -17.423 -3.910 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.878 -18.651 -5.159 1.00 0.00 H new ATOM 0 HD2 ARG A 95 1.072 -19.657 -3.472 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.002 -18.862 -2.339 1.00 0.00 H new ATOM 0 HE ARG A 95 -1.619 -20.490 -2.729 1.00 0.00 H new ATOM 0 HH11 ARG A 95 0.833 -20.579 -5.275 1.00 0.00 H new ATOM 0 HH12 ARG A 95 0.200 -22.066 -5.988 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -2.420 -22.396 -3.655 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -1.632 -23.089 -5.076 1.00 0.00 H new ATOM 1577 N PRO A 96 1.298 -17.916 -8.587 1.00 0.00 N ATOM 1578 CA PRO A 96 1.215 -18.883 -9.687 1.00 0.00 C ATOM 1579 C PRO A 96 1.574 -20.296 -9.242 1.00 0.00 C ATOM 1580 O PRO A 96 0.845 -21.249 -9.520 1.00 0.00 O ATOM 1581 CB PRO A 96 2.241 -18.364 -10.699 1.00 0.00 C ATOM 1582 CG PRO A 96 2.366 -16.910 -10.403 1.00 0.00 C ATOM 1583 CD PRO A 96 2.167 -16.772 -8.921 1.00 0.00 C ATOM 0 HA PRO A 96 0.204 -18.958 -10.088 1.00 0.00 H new ATOM 0 HB2 PRO A 96 3.198 -18.874 -10.589 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.907 -18.532 -11.723 1.00 0.00 H new ATOM 0 HG2 PRO A 96 3.344 -16.533 -10.702 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.621 -16.334 -10.952 1.00 0.00 H new ATOM 0 HD2 PRO A 96 3.114 -16.815 -8.382 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.698 -15.822 -8.665 1.00 0.00 H new ATOM 1591 N LEU A 97 2.701 -20.426 -8.551 1.00 0.00 N ATOM 1592 CA LEU A 97 3.157 -21.724 -8.067 1.00 0.00 C ATOM 1593 C LEU A 97 3.481 -21.666 -6.578 1.00 0.00 C ATOM 1594 O LEU A 97 3.011 -22.495 -5.798 1.00 0.00 O ATOM 1595 CB LEU A 97 4.391 -22.178 -8.850 1.00 0.00 C ATOM 1596 CG LEU A 97 4.138 -22.504 -10.323 1.00 0.00 C ATOM 1597 CD1 LEU A 97 4.232 -21.246 -11.173 1.00 0.00 C ATOM 1598 CD2 LEU A 97 5.125 -23.554 -10.813 1.00 0.00 C ATOM 0 H LEU A 97 3.316 -19.648 -8.313 1.00 0.00 H new ATOM 0 HA LEU A 97 2.352 -22.443 -8.218 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.148 -21.396 -8.791 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.806 -23.061 -8.364 1.00 0.00 H new ATOM 0 HG LEU A 97 3.130 -22.907 -10.418 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.049 -21.498 -12.218 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.487 -20.524 -10.838 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.227 -20.813 -11.073 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.931 -23.774 -11.863 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.142 -23.177 -10.703 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.010 -24.464 -10.224 1.00 0.00 H new ATOM 1610 N ALA A 98 4.285 -20.682 -6.190 1.00 0.00 N ATOM 1611 CA ALA A 98 4.671 -20.516 -4.794 1.00 0.00 C ATOM 1612 C ALA A 98 5.424 -21.739 -4.283 1.00 0.00 C ATOM 1613 O ALA A 98 4.818 -22.741 -3.902 1.00 0.00 O ATOM 1614 CB ALA A 98 3.443 -20.254 -3.935 1.00 0.00 C ATOM 0 H ALA A 98 4.682 -19.987 -6.823 1.00 0.00 H new ATOM 0 HA ALA A 98 5.338 -19.657 -4.727 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.746 -20.132 -2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.947 -19.346 -4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.756 -21.096 -4.016 1.00 0.00 H new ATOM 1620 N ASP A 99 6.750 -21.650 -4.275 1.00 0.00 N ATOM 1621 CA ASP A 99 7.588 -22.750 -3.810 1.00 0.00 C ATOM 1622 C ASP A 99 8.360 -22.352 -2.557 1.00 0.00 C ATOM 1623 O ASP A 99 8.254 -23.002 -1.517 1.00 0.00 O ATOM 1624 CB ASP A 99 8.562 -23.177 -4.909 1.00 0.00 C ATOM 1625 CG ASP A 99 7.999 -24.281 -5.784 1.00 0.00 C ATOM 1626 OD1 ASP A 99 8.484 -25.426 -5.679 1.00 0.00 O ATOM 1627 OD2 ASP A 99 7.073 -23.998 -6.572 1.00 0.00 O ATOM 0 H ASP A 99 7.268 -20.828 -4.585 1.00 0.00 H new ATOM 0 HA ASP A 99 6.939 -23.590 -3.564 1.00 0.00 H new ATOM 0 HB2 ASP A 99 8.806 -22.315 -5.529 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.493 -23.517 -4.454 1.00 0.00 H new ATOM 1633 N GLU A 100 9.137 -21.279 -2.662 1.00 0.00 N ATOM 1634 CA GLU A 100 9.928 -20.794 -1.538 1.00 0.00 C ATOM 1635 C GLU A 100 9.112 -19.841 -0.670 1.00 0.00 C ATOM 1636 O GLU A 100 8.680 -20.199 0.425 1.00 0.00 O ATOM 1637 CB GLU A 100 11.190 -20.091 -2.040 1.00 0.00 C ATOM 1638 CG GLU A 100 12.183 -21.027 -2.711 1.00 0.00 C ATOM 1639 CD GLU A 100 13.616 -20.741 -2.310 1.00 0.00 C ATOM 1640 OE1 GLU A 100 14.375 -20.217 -3.153 1.00 0.00 O ATOM 1641 OE2 GLU A 100 13.982 -21.041 -1.153 1.00 0.00 O ATOM 0 H GLU A 100 9.236 -20.729 -3.515 1.00 0.00 H new ATOM 0 HA GLU A 100 10.216 -21.653 -0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.905 -19.311 -2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.679 -19.597 -1.200 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.936 -22.057 -2.454 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.088 -20.937 -3.793 1.00 0.00 H new ATOM 1649 N ASN A 101 8.906 -18.626 -1.167 1.00 0.00 N ATOM 1650 CA ASN A 101 8.142 -17.621 -0.438 1.00 0.00 C ATOM 1651 C ASN A 101 7.976 -16.354 -1.271 1.00 0.00 C ATOM 1652 O ASN A 101 8.015 -15.242 -0.743 1.00 0.00 O ATOM 1653 CB ASN A 101 8.832 -17.289 0.886 1.00 0.00 C ATOM 1654 CG ASN A 101 10.315 -17.023 0.716 1.00 0.00 C ATOM 1655 OD1 ASN A 101 11.118 -17.952 0.631 1.00 0.00 O ATOM 1656 ND2 ASN A 101 10.687 -15.749 0.665 1.00 0.00 N ATOM 0 H ASN A 101 9.258 -18.314 -2.072 1.00 0.00 H new ATOM 0 HA ASN A 101 7.153 -18.030 -0.232 1.00 0.00 H new ATOM 0 HB2 ASN A 101 8.358 -16.414 1.330 1.00 0.00 H new ATOM 0 HB3 ASN A 101 8.692 -18.116 1.583 1.00 0.00 H new ATOM 0 HD21 ASN A 101 11.672 -15.509 0.551 1.00 0.00 H new ATOM 0 HD22 ASN A 101 9.988 -15.010 0.739 1.00 0.00 H new ATOM 1663 N PHE A 102 7.790 -16.528 -2.575 1.00 0.00 N ATOM 1664 CA PHE A 102 7.619 -15.399 -3.481 1.00 0.00 C ATOM 1665 C PHE A 102 6.152 -15.224 -3.860 1.00 0.00 C ATOM 1666 O PHE A 102 5.510 -16.155 -4.344 1.00 0.00 O ATOM 1667 CB PHE A 102 8.463 -15.594 -4.741 1.00 0.00 C ATOM 1668 CG PHE A 102 8.308 -16.954 -5.362 1.00 0.00 C ATOM 1669 CD1 PHE A 102 7.314 -17.194 -6.297 1.00 0.00 C ATOM 1670 CD2 PHE A 102 9.157 -17.991 -5.011 1.00 0.00 C ATOM 1671 CE1 PHE A 102 7.170 -18.442 -6.870 1.00 0.00 C ATOM 1672 CE2 PHE A 102 9.017 -19.242 -5.581 1.00 0.00 C ATOM 1673 CZ PHE A 102 8.021 -19.469 -6.511 1.00 0.00 C ATOM 0 H PHE A 102 7.754 -17.441 -3.028 1.00 0.00 H new ATOM 0 HA PHE A 102 7.953 -14.499 -2.965 1.00 0.00 H new ATOM 0 HB2 PHE A 102 8.188 -14.835 -5.474 1.00 0.00 H new ATOM 0 HB3 PHE A 102 9.512 -15.433 -4.494 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.644 -16.396 -6.581 1.00 0.00 H new ATOM 0 HD2 PHE A 102 9.937 -17.820 -4.284 1.00 0.00 H new ATOM 0 HE1 PHE A 102 6.392 -18.615 -7.599 1.00 0.00 H new ATOM 0 HE2 PHE A 102 9.686 -20.042 -5.300 1.00 0.00 H new ATOM 0 HZ PHE A 102 7.908 -20.447 -6.956 1.00 0.00 H new ATOM 1683 N HIS A 103 5.627 -14.022 -3.636 1.00 0.00 N ATOM 1684 CA HIS A 103 4.236 -13.725 -3.954 1.00 0.00 C ATOM 1685 C HIS A 103 4.120 -12.403 -4.705 1.00 0.00 C ATOM 1686 O HIS A 103 4.920 -11.490 -4.501 1.00 0.00 O ATOM 1687 CB HIS A 103 3.398 -13.674 -2.676 1.00 0.00 C ATOM 1688 CG HIS A 103 3.142 -15.020 -2.073 1.00 0.00 C ATOM 1689 ND1 HIS A 103 2.058 -15.830 -2.140 1.00 0.00 N flip ATOM 1690 CD2 HIS A 103 4.065 -15.683 -1.291 1.00 0.00 C flip ATOM 1691 CE1 HIS A 103 2.344 -16.954 -1.405 1.00 0.00 C flip ATOM 1692 NE2 HIS A 103 3.560 -16.841 -0.904 1.00 0.00 N flip ATOM 0 H HIS A 103 6.145 -13.240 -3.236 1.00 0.00 H new ATOM 0 HA HIS A 103 3.859 -14.521 -4.596 1.00 0.00 H new ATOM 0 HB2 HIS A 103 3.906 -13.048 -1.943 1.00 0.00 H new ATOM 0 HB3 HIS A 103 2.443 -13.196 -2.896 1.00 0.00 H new ATOM 0 HD2 HIS A 103 5.047 -15.313 -1.035 1.00 0.00 H new ATOM 0 HE1 HIS A 103 1.681 -17.794 -1.260 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.030 -17.531 -0.318 1.00 0.00 H new ATOM 1701 N LEU A 104 3.119 -12.308 -5.574 1.00 0.00 N ATOM 1702 CA LEU A 104 2.898 -11.097 -6.355 1.00 0.00 C ATOM 1703 C LEU A 104 1.407 -10.805 -6.496 1.00 0.00 C ATOM 1704 O LEU A 104 0.642 -11.644 -6.971 1.00 0.00 O ATOM 1705 CB LEU A 104 3.539 -11.234 -7.739 1.00 0.00 C ATOM 1706 CG LEU A 104 4.902 -10.558 -7.891 1.00 0.00 C ATOM 1707 CD1 LEU A 104 6.020 -11.521 -7.525 1.00 0.00 C ATOM 1708 CD2 LEU A 104 5.085 -10.040 -9.310 1.00 0.00 C ATOM 0 H LEU A 104 2.448 -13.055 -5.755 1.00 0.00 H new ATOM 0 HA LEU A 104 3.363 -10.264 -5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.649 -12.294 -7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.858 -10.816 -8.481 1.00 0.00 H new ATOM 0 HG LEU A 104 4.943 -9.710 -7.208 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.982 -11.022 -7.639 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.899 -11.843 -6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.982 -12.390 -8.182 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.060 -9.562 -9.400 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.022 -10.872 -10.012 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.303 -9.315 -9.536 1.00 0.00 H new ATOM 1720 N GLY A 105 1.001 -9.611 -6.078 1.00 0.00 N ATOM 1721 CA GLY A 105 -0.397 -9.230 -6.166 1.00 0.00 C ATOM 1722 C GLY A 105 -0.589 -7.726 -6.169 1.00 0.00 C ATOM 1723 O GLY A 105 0.337 -6.976 -6.478 1.00 0.00 O ATOM 0 H GLY A 105 1.615 -8.900 -5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.828 -9.650 -7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.941 -9.661 -5.326 1.00 0.00 H new ATOM 1727 N LEU A 106 -1.794 -7.284 -5.826 1.00 0.00 N ATOM 1728 CA LEU A 106 -2.104 -5.859 -5.790 1.00 0.00 C ATOM 1729 C LEU A 106 -3.313 -5.587 -4.902 1.00 0.00 C ATOM 1730 O LEU A 106 -4.106 -6.487 -4.621 1.00 0.00 O ATOM 1731 CB LEU A 106 -2.367 -5.338 -7.205 1.00 0.00 C ATOM 1732 CG LEU A 106 -3.620 -5.898 -7.878 1.00 0.00 C ATOM 1733 CD1 LEU A 106 -4.227 -4.866 -8.817 1.00 0.00 C ATOM 1734 CD2 LEU A 106 -3.293 -7.179 -8.631 1.00 0.00 C ATOM 0 H LEU A 106 -2.572 -7.892 -5.569 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.244 -5.336 -5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -2.448 -4.252 -7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -1.503 -5.571 -7.828 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.352 -6.131 -7.105 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.118 -5.282 -9.287 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.498 -3.974 -8.252 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -3.501 -4.602 -9.586 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.197 -7.564 -9.104 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.544 -6.971 -9.395 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.904 -7.921 -7.934 1.00 0.00 H new ATOM 1746 N GLY A 107 -3.449 -4.340 -4.462 1.00 0.00 N ATOM 1747 CA GLY A 107 -4.564 -3.971 -3.610 1.00 0.00 C ATOM 1748 C GLY A 107 -4.798 -2.474 -3.578 1.00 0.00 C ATOM 1749 O GLY A 107 -4.205 -1.729 -4.360 1.00 0.00 O ATOM 0 H GLY A 107 -2.807 -3.578 -4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -5.467 -4.469 -3.962 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.377 -4.328 -2.597 1.00 0.00 H new ATOM 1753 N PHE A 108 -5.665 -2.031 -2.674 1.00 0.00 N ATOM 1754 CA PHE A 108 -5.976 -0.612 -2.545 1.00 0.00 C ATOM 1755 C PHE A 108 -6.156 -0.225 -1.080 1.00 0.00 C ATOM 1756 O PHE A 108 -6.987 -0.797 -0.374 1.00 0.00 O ATOM 1757 CB PHE A 108 -7.241 -0.270 -3.333 1.00 0.00 C ATOM 1758 CG PHE A 108 -8.362 -1.247 -3.122 1.00 0.00 C ATOM 1759 CD1 PHE A 108 -9.232 -1.104 -2.053 1.00 0.00 C ATOM 1760 CD2 PHE A 108 -8.548 -2.308 -3.994 1.00 0.00 C ATOM 1761 CE1 PHE A 108 -10.265 -2.001 -1.856 1.00 0.00 C ATOM 1762 CE2 PHE A 108 -9.579 -3.209 -3.803 1.00 0.00 C ATOM 1763 CZ PHE A 108 -10.438 -3.054 -2.732 1.00 0.00 C ATOM 0 H PHE A 108 -6.165 -2.634 -2.020 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.139 -0.045 -2.952 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -7.579 0.726 -3.047 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -6.998 -0.232 -4.395 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -9.101 -0.282 -1.365 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -7.879 -2.432 -4.833 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -10.936 -1.878 -1.018 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -9.713 -4.032 -4.489 1.00 0.00 H new ATOM 0 HZ PHE A 108 -11.244 -3.756 -2.580 1.00 0.00 H new ATOM 1773 N THR A 109 -5.372 0.749 -0.629 1.00 0.00 N ATOM 1774 CA THR A 109 -5.444 1.213 0.751 1.00 0.00 C ATOM 1775 C THR A 109 -6.192 2.539 0.840 1.00 0.00 C ATOM 1776 O THR A 109 -5.915 3.471 0.085 1.00 0.00 O ATOM 1777 CB THR A 109 -4.039 1.365 1.334 1.00 0.00 C ATOM 1778 OG1 THR A 109 -3.377 2.480 0.763 1.00 0.00 O ATOM 1779 CG2 THR A 109 -3.164 0.150 1.113 1.00 0.00 C ATOM 0 H THR A 109 -4.679 1.232 -1.200 1.00 0.00 H new ATOM 0 HA THR A 109 -5.991 0.469 1.331 1.00 0.00 H new ATOM 0 HB THR A 109 -4.185 1.498 2.406 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.025 3.032 0.278 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.181 0.325 1.551 1.00 0.00 H new ATOM 0 HG22 THR A 109 -3.622 -0.719 1.585 1.00 0.00 H new ATOM 0 HG23 THR A 109 -3.057 -0.032 0.044 1.00 0.00 H new ATOM 1787 N ALA A 110 -7.140 2.617 1.768 1.00 0.00 N ATOM 1788 CA ALA A 110 -7.928 3.830 1.955 1.00 0.00 C ATOM 1789 C ALA A 110 -7.600 4.498 3.285 1.00 0.00 C ATOM 1790 O ALA A 110 -7.831 3.926 4.351 1.00 0.00 O ATOM 1791 CB ALA A 110 -9.413 3.511 1.874 1.00 0.00 C ATOM 0 H ALA A 110 -7.381 1.855 2.402 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.673 4.527 1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -9.990 4.425 2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.641 3.085 0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.674 2.793 2.652 1.00 0.00 H new ATOM 1797 N GLY A 111 -7.060 5.711 3.216 1.00 0.00 N ATOM 1798 CA GLY A 111 -6.710 6.436 4.423 1.00 0.00 C ATOM 1799 C GLY A 111 -7.804 7.389 4.863 1.00 0.00 C ATOM 1800 O GLY A 111 -8.561 7.900 4.039 1.00 0.00 O ATOM 0 H GLY A 111 -6.859 6.204 2.346 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.507 5.725 5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -5.791 6.996 4.253 1.00 0.00 H new ATOM 1804 N VAL A 112 -7.888 7.628 6.168 1.00 0.00 N ATOM 1805 CA VAL A 112 -8.897 8.525 6.716 1.00 0.00 C ATOM 1806 C VAL A 112 -8.306 9.426 7.795 1.00 0.00 C ATOM 1807 O VAL A 112 -7.624 8.954 8.706 1.00 0.00 O ATOM 1808 CB VAL A 112 -10.083 7.742 7.310 1.00 0.00 C ATOM 1809 CG1 VAL A 112 -10.952 7.167 6.204 1.00 0.00 C ATOM 1810 CG2 VAL A 112 -9.585 6.640 8.234 1.00 0.00 C ATOM 0 H VAL A 112 -7.269 7.213 6.865 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.254 9.139 5.890 1.00 0.00 H new ATOM 0 HB VAL A 112 -10.692 8.430 7.897 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -11.784 6.617 6.644 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -11.338 7.978 5.586 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -10.357 6.493 5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.436 6.097 8.645 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -8.953 5.952 7.672 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.009 7.080 9.048 1.00 0.00 H new ATOM 1820 N THR A 113 -8.570 10.723 7.686 1.00 0.00 N ATOM 1821 CA THR A 113 -8.064 11.691 8.652 1.00 0.00 C ATOM 1822 C THR A 113 -9.156 12.675 9.059 1.00 0.00 C ATOM 1823 O THR A 113 -9.577 13.515 8.262 1.00 0.00 O ATOM 1824 CB THR A 113 -6.870 12.448 8.069 1.00 0.00 C ATOM 1825 OG1 THR A 113 -6.490 13.517 8.918 1.00 0.00 O ATOM 1826 CG2 THR A 113 -7.140 13.026 6.696 1.00 0.00 C ATOM 0 H THR A 113 -9.132 11.129 6.938 1.00 0.00 H new ATOM 0 HA THR A 113 -7.742 11.147 9.540 1.00 0.00 H new ATOM 0 HB THR A 113 -6.073 11.709 7.984 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.724 13.988 8.528 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.253 13.550 6.341 1.00 0.00 H new ATOM 0 HG22 THR A 113 -7.387 12.221 6.004 1.00 0.00 H new ATOM 0 HG23 THR A 113 -7.975 13.724 6.753 1.00 0.00 H new ATOM 1834 N ALA A 114 -9.610 12.567 10.303 1.00 0.00 N ATOM 1835 CA ALA A 114 -10.653 13.447 10.816 1.00 0.00 C ATOM 1836 C ALA A 114 -10.085 14.447 11.818 1.00 0.00 C ATOM 1837 O ALA A 114 -9.257 14.097 12.659 1.00 0.00 O ATOM 1838 CB ALA A 114 -11.765 12.630 11.457 1.00 0.00 C ATOM 0 H ALA A 114 -9.272 11.878 10.975 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.065 14.007 9.977 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -12.537 13.300 11.836 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -12.198 11.960 10.715 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -11.357 12.044 12.281 1.00 0.00 H new ATOM 1844 N ARG A 115 -10.536 15.693 11.722 1.00 0.00 N ATOM 1845 CA ARG A 115 -10.074 16.745 12.621 1.00 0.00 C ATOM 1846 C ARG A 115 -11.128 17.839 12.764 1.00 0.00 C ATOM 1847 O ARG A 115 -11.396 18.584 11.822 1.00 0.00 O ATOM 1848 CB ARG A 115 -8.765 17.347 12.105 1.00 0.00 C ATOM 1849 CG ARG A 115 -7.523 16.676 12.672 1.00 0.00 C ATOM 1850 CD ARG A 115 -6.404 17.679 12.907 1.00 0.00 C ATOM 1851 NE ARG A 115 -5.801 17.525 14.229 1.00 0.00 N ATOM 1852 CZ ARG A 115 -6.347 17.989 15.352 1.00 0.00 C ATOM 1853 NH1 ARG A 115 -7.506 18.636 15.316 1.00 0.00 N ATOM 1854 NH2 ARG A 115 -5.733 17.806 16.512 1.00 0.00 N ATOM 0 H ARG A 115 -11.221 15.999 11.031 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.901 16.301 13.601 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.744 17.273 11.018 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -8.740 18.408 12.353 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -7.772 16.181 13.611 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -7.181 15.902 11.985 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -5.638 17.553 12.142 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -6.796 18.691 12.803 1.00 0.00 H new ATOM 0 HE ARG A 115 -4.910 17.033 14.296 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -7.982 18.780 14.426 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -7.920 18.989 16.179 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -4.842 17.310 16.545 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -6.151 18.161 17.372 1.00 0.00 H new ATOM 1868 N ASP A 116 -11.724 17.927 13.949 1.00 0.00 N ATOM 1869 CA ASP A 116 -12.751 18.929 14.217 1.00 0.00 C ATOM 1870 C ASP A 116 -13.223 18.852 15.665 1.00 0.00 C ATOM 1871 O ASP A 116 -13.474 19.876 16.301 1.00 0.00 O ATOM 1872 CB ASP A 116 -13.937 18.740 13.269 1.00 0.00 C ATOM 1873 CG ASP A 116 -13.890 19.689 12.088 1.00 0.00 C ATOM 1874 OD1 ASP A 116 -13.989 19.212 10.938 1.00 0.00 O ATOM 1875 OD2 ASP A 116 -13.757 20.911 12.312 1.00 0.00 O ATOM 0 H ASP A 116 -11.514 17.317 14.739 1.00 0.00 H new ATOM 0 HA ASP A 116 -12.315 19.914 14.050 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -13.948 17.712 12.906 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -14.866 18.894 13.818 1.00 0.00 H new ATOM 1881 N ASN A 117 -13.345 17.632 16.181 1.00 0.00 N ATOM 1882 CA ASN A 117 -13.789 17.422 17.553 1.00 0.00 C ATOM 1883 C ASN A 117 -15.209 17.943 17.751 1.00 0.00 C ATOM 1884 O ASN A 117 -15.540 18.491 18.802 1.00 0.00 O ATOM 1885 CB ASN A 117 -12.837 18.114 18.533 1.00 0.00 C ATOM 1886 CG ASN A 117 -11.694 17.215 18.961 1.00 0.00 C ATOM 1887 OD1 ASN A 117 -11.551 16.891 20.139 1.00 0.00 O ATOM 1888 ND2 ASN A 117 -10.871 16.806 18.001 1.00 0.00 N ATOM 0 H ASN A 117 -13.142 16.774 15.668 1.00 0.00 H new ATOM 0 HA ASN A 117 -13.784 16.350 17.749 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -12.434 19.014 18.069 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -13.395 18.432 19.414 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -10.084 16.199 18.229 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -11.027 17.099 17.037 1.00 0.00 H new ATOM 1895 N TRP A 118 -16.045 17.766 16.733 1.00 0.00 N ATOM 1896 CA TRP A 118 -17.430 18.216 16.794 1.00 0.00 C ATOM 1897 C TRP A 118 -18.286 17.488 15.762 1.00 0.00 C ATOM 1898 O TRP A 118 -19.387 17.030 16.066 1.00 0.00 O ATOM 1899 CB TRP A 118 -17.508 19.726 16.565 1.00 0.00 C ATOM 1900 CG TRP A 118 -18.502 20.412 17.451 1.00 0.00 C ATOM 1901 CD1 TRP A 118 -19.805 20.058 17.649 1.00 0.00 C ATOM 1902 CD2 TRP A 118 -18.273 21.571 18.261 1.00 0.00 C ATOM 1903 NE1 TRP A 118 -20.401 20.924 18.532 1.00 0.00 N ATOM 1904 CE2 TRP A 118 -19.482 21.863 18.922 1.00 0.00 C ATOM 1905 CE3 TRP A 118 -17.164 22.390 18.492 1.00 0.00 C ATOM 1906 CZ2 TRP A 118 -19.612 22.938 19.797 1.00 0.00 C ATOM 1907 CZ3 TRP A 118 -17.294 23.457 19.361 1.00 0.00 C ATOM 1908 CH2 TRP A 118 -18.510 23.723 20.004 1.00 0.00 C ATOM 0 H TRP A 118 -15.787 17.314 15.856 1.00 0.00 H new ATOM 0 HA TRP A 118 -17.817 17.986 17.787 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -16.523 20.162 16.731 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -17.769 19.915 15.524 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -20.296 19.219 17.179 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -21.370 20.876 18.847 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -16.223 22.193 18.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -20.548 23.145 20.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -16.444 24.096 19.547 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -18.579 24.565 20.677 1.00 0.00 H new ATOM 1919 N ASN A 119 -17.770 17.383 14.541 1.00 0.00 N ATOM 1920 CA ASN A 119 -18.486 16.710 13.465 1.00 0.00 C ATOM 1921 C ASN A 119 -18.070 15.245 13.367 1.00 0.00 C ATOM 1922 O ASN A 119 -17.250 14.769 14.153 1.00 0.00 O ATOM 1923 CB ASN A 119 -18.228 17.415 12.131 1.00 0.00 C ATOM 1924 CG ASN A 119 -19.037 18.689 11.986 1.00 0.00 C ATOM 1925 OD1 ASN A 119 -18.485 19.769 11.780 1.00 0.00 O ATOM 1926 ND2 ASN A 119 -20.356 18.567 12.091 1.00 0.00 N ATOM 0 H ASN A 119 -16.859 17.756 14.273 1.00 0.00 H new ATOM 0 HA ASN A 119 -19.552 16.753 13.690 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -17.167 17.650 12.046 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -18.471 16.738 11.312 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -20.953 19.389 12.000 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -20.771 17.651 12.262 1.00 0.00 H new ATOM 1933 N TYR A 120 -18.640 14.536 12.399 1.00 0.00 N ATOM 1934 CA TYR A 120 -18.327 13.125 12.200 1.00 0.00 C ATOM 1935 C TYR A 120 -18.055 12.828 10.729 1.00 0.00 C ATOM 1936 O TYR A 120 -18.435 11.775 10.218 1.00 0.00 O ATOM 1937 CB TYR A 120 -19.477 12.251 12.705 1.00 0.00 C ATOM 1938 CG TYR A 120 -19.383 11.915 14.176 1.00 0.00 C ATOM 1939 CD1 TYR A 120 -19.683 12.865 15.145 1.00 0.00 C ATOM 1940 CD2 TYR A 120 -18.994 10.650 14.597 1.00 0.00 C ATOM 1941 CE1 TYR A 120 -19.598 12.564 16.491 1.00 0.00 C ATOM 1942 CE2 TYR A 120 -18.907 10.341 15.941 1.00 0.00 C ATOM 1943 CZ TYR A 120 -19.210 11.300 16.883 1.00 0.00 C ATOM 1944 OH TYR A 120 -19.125 10.996 18.222 1.00 0.00 O ATOM 0 H TYR A 120 -19.321 14.914 11.740 1.00 0.00 H new ATOM 0 HA TYR A 120 -17.426 12.895 12.769 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -20.421 12.763 12.518 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -19.498 11.325 12.130 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -19.988 13.855 14.841 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -18.756 9.895 13.862 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -19.834 13.314 17.231 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -18.603 9.352 16.252 1.00 0.00 H new ATOM 0 HH TYR A 120 -18.839 10.065 18.329 1.00 0.00 H new ATOM 1954 N ILE A 121 -17.395 13.764 10.054 1.00 0.00 N ATOM 1955 CA ILE A 121 -17.073 13.602 8.642 1.00 0.00 C ATOM 1956 C ILE A 121 -15.563 13.640 8.414 1.00 0.00 C ATOM 1957 O ILE A 121 -14.982 14.711 8.242 1.00 0.00 O ATOM 1958 CB ILE A 121 -17.736 14.697 7.785 1.00 0.00 C ATOM 1959 CG1 ILE A 121 -19.221 14.820 8.135 1.00 0.00 C ATOM 1960 CG2 ILE A 121 -17.557 14.393 6.306 1.00 0.00 C ATOM 1961 CD1 ILE A 121 -19.537 16.008 9.018 1.00 0.00 C ATOM 0 H ILE A 121 -17.073 14.642 10.462 1.00 0.00 H new ATOM 0 HA ILE A 121 -17.460 12.629 8.339 1.00 0.00 H new ATOM 0 HB ILE A 121 -17.252 15.650 8.000 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -19.798 14.899 7.214 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -19.545 13.908 8.637 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -18.031 15.176 5.714 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -16.494 14.352 6.069 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -18.018 13.433 6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -20.607 16.033 9.226 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -18.987 15.921 9.955 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -19.245 16.927 8.510 1.00 0.00 H new ATOM 1973 N PRO A 122 -14.906 12.467 8.409 1.00 0.00 N ATOM 1974 CA PRO A 122 -13.458 12.375 8.200 1.00 0.00 C ATOM 1975 C PRO A 122 -13.058 12.708 6.767 1.00 0.00 C ATOM 1976 O PRO A 122 -13.868 13.207 5.985 1.00 0.00 O ATOM 1977 CB PRO A 122 -13.144 10.912 8.516 1.00 0.00 C ATOM 1978 CG PRO A 122 -14.416 10.185 8.250 1.00 0.00 C ATOM 1979 CD PRO A 122 -15.522 11.139 8.606 1.00 0.00 C ATOM 0 HA PRO A 122 -12.911 13.085 8.821 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -12.335 10.537 7.889 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -12.828 10.790 9.552 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -14.482 9.884 7.204 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -14.478 9.276 8.848 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -16.393 11.001 7.965 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -15.857 11.000 9.634 1.00 0.00 H new ATOM 1987 N LEU A 123 -11.804 12.427 6.426 1.00 0.00 N ATOM 1988 CA LEU A 123 -11.296 12.697 5.087 1.00 0.00 C ATOM 1989 C LEU A 123 -10.746 11.425 4.446 1.00 0.00 C ATOM 1990 O LEU A 123 -9.557 11.127 4.558 1.00 0.00 O ATOM 1991 CB LEU A 123 -10.206 13.768 5.138 1.00 0.00 C ATOM 1992 CG LEU A 123 -9.959 14.504 3.819 1.00 0.00 C ATOM 1993 CD1 LEU A 123 -10.876 15.711 3.702 1.00 0.00 C ATOM 1994 CD2 LEU A 123 -8.501 14.925 3.711 1.00 0.00 C ATOM 0 H LEU A 123 -11.121 12.012 7.060 1.00 0.00 H new ATOM 0 HA LEU A 123 -12.124 13.060 4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -10.472 14.500 5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.274 13.301 5.456 1.00 0.00 H new ATOM 0 HG LEU A 123 -10.182 13.825 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -10.686 16.222 2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -11.915 15.383 3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.685 16.395 4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -8.342 15.447 2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -8.252 15.588 4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.863 14.042 3.749 1.00 0.00 H new ATOM 2006 N PRO A 124 -11.609 10.654 3.762 1.00 0.00 N ATOM 2007 CA PRO A 124 -11.205 9.408 3.102 1.00 0.00 C ATOM 2008 C PRO A 124 -10.378 9.660 1.846 1.00 0.00 C ATOM 2009 O PRO A 124 -10.541 10.680 1.177 1.00 0.00 O ATOM 2010 CB PRO A 124 -12.538 8.752 2.742 1.00 0.00 C ATOM 2011 CG PRO A 124 -13.487 9.888 2.591 1.00 0.00 C ATOM 2012 CD PRO A 124 -13.047 10.934 3.580 1.00 0.00 C ATOM 0 HA PRO A 124 -10.570 8.794 3.741 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -12.460 8.176 1.820 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -12.864 8.064 3.522 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -13.467 10.280 1.574 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -14.510 9.570 2.790 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -13.215 11.942 3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -13.594 10.853 4.520 1.00 0.00 H new ATOM 2020 N VAL A 125 -9.490 8.722 1.530 1.00 0.00 N ATOM 2021 CA VAL A 125 -8.638 8.840 0.354 1.00 0.00 C ATOM 2022 C VAL A 125 -8.207 7.468 -0.151 1.00 0.00 C ATOM 2023 O VAL A 125 -7.615 6.681 0.589 1.00 0.00 O ATOM 2024 CB VAL A 125 -7.383 9.683 0.650 1.00 0.00 C ATOM 2025 CG1 VAL A 125 -7.739 11.159 0.739 1.00 0.00 C ATOM 2026 CG2 VAL A 125 -6.715 9.210 1.933 1.00 0.00 C ATOM 0 H VAL A 125 -9.343 7.871 2.073 1.00 0.00 H new ATOM 0 HA VAL A 125 -9.228 9.339 -0.415 1.00 0.00 H new ATOM 0 HB VAL A 125 -6.678 9.553 -0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -6.840 11.738 0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -8.170 11.487 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -8.463 11.311 1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -5.830 9.816 2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -7.413 9.309 2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -6.423 8.165 1.827 1.00 0.00 H new ATOM 2036 N LEU A 126 -8.508 7.185 -1.415 1.00 0.00 N ATOM 2037 CA LEU A 126 -8.151 5.906 -2.017 1.00 0.00 C ATOM 2038 C LEU A 126 -6.810 5.995 -2.737 1.00 0.00 C ATOM 2039 O LEU A 126 -6.516 6.987 -3.405 1.00 0.00 O ATOM 2040 CB LEU A 126 -9.239 5.458 -2.995 1.00 0.00 C ATOM 2041 CG LEU A 126 -10.586 5.118 -2.354 1.00 0.00 C ATOM 2042 CD1 LEU A 126 -11.477 6.350 -2.301 1.00 0.00 C ATOM 2043 CD2 LEU A 126 -11.271 3.995 -3.117 1.00 0.00 C ATOM 0 H LEU A 126 -8.998 7.824 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 126 -8.064 5.170 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -9.393 6.248 -3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -8.881 4.583 -3.537 1.00 0.00 H new ATOM 0 HG LEU A 126 -10.407 4.780 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -12.431 6.090 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.990 7.126 -1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -11.649 6.718 -3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.228 3.766 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.438 4.305 -4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -10.639 3.107 -3.103 1.00 0.00 H new ATOM 2055 N LEU A 127 -5.999 4.951 -2.596 1.00 0.00 N ATOM 2056 CA LEU A 127 -4.687 4.908 -3.232 1.00 0.00 C ATOM 2057 C LEU A 127 -4.311 3.474 -3.603 1.00 0.00 C ATOM 2058 O LEU A 127 -4.014 2.661 -2.728 1.00 0.00 O ATOM 2059 CB LEU A 127 -3.628 5.500 -2.298 1.00 0.00 C ATOM 2060 CG LEU A 127 -2.210 5.541 -2.871 1.00 0.00 C ATOM 2061 CD1 LEU A 127 -1.968 6.854 -3.601 1.00 0.00 C ATOM 2062 CD2 LEU A 127 -1.183 5.345 -1.766 1.00 0.00 C ATOM 0 H LEU A 127 -6.228 4.123 -2.046 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.730 5.502 -4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -3.926 6.514 -2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -3.614 4.920 -1.375 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.103 4.726 -3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -0.955 6.866 -4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -2.683 6.953 -4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -2.093 7.685 -2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -0.180 5.377 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.289 6.138 -1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -1.343 4.379 -1.287 1.00 0.00 H new ATOM 2074 N PRO A 128 -4.323 3.140 -4.907 1.00 0.00 N ATOM 2075 CA PRO A 128 -3.986 1.795 -5.379 1.00 0.00 C ATOM 2076 C PRO A 128 -2.479 1.556 -5.446 1.00 0.00 C ATOM 2077 O PRO A 128 -1.711 2.459 -5.782 1.00 0.00 O ATOM 2078 CB PRO A 128 -4.593 1.765 -6.779 1.00 0.00 C ATOM 2079 CG PRO A 128 -4.514 3.177 -7.248 1.00 0.00 C ATOM 2080 CD PRO A 128 -4.673 4.041 -6.023 1.00 0.00 C ATOM 0 HA PRO A 128 -4.361 1.019 -4.711 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -4.039 1.096 -7.438 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -5.624 1.411 -6.758 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -3.560 3.371 -7.739 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -5.296 3.389 -7.977 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -4.014 4.909 -6.058 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -5.692 4.417 -5.929 1.00 0.00 H new ATOM 2088 N LEU A 129 -2.064 0.332 -5.131 1.00 0.00 N ATOM 2089 CA LEU A 129 -0.652 -0.029 -5.160 1.00 0.00 C ATOM 2090 C LEU A 129 -0.476 -1.515 -5.461 1.00 0.00 C ATOM 2091 O LEU A 129 -1.452 -2.238 -5.660 1.00 0.00 O ATOM 2092 CB LEU A 129 0.021 0.317 -3.827 1.00 0.00 C ATOM 2093 CG LEU A 129 -0.792 -0.013 -2.570 1.00 0.00 C ATOM 2094 CD1 LEU A 129 -1.919 0.989 -2.383 1.00 0.00 C ATOM 2095 CD2 LEU A 129 -1.344 -1.430 -2.640 1.00 0.00 C ATOM 0 H LEU A 129 -2.687 -0.426 -4.853 1.00 0.00 H new ATOM 0 HA LEU A 129 -0.176 0.545 -5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.972 -0.213 -3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 129 0.249 1.383 -3.821 1.00 0.00 H new ATOM 0 HG LEU A 129 -0.127 0.052 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -2.484 0.738 -1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -1.502 1.991 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -2.580 0.958 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.917 -1.642 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -1.991 -1.526 -3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.519 -2.138 -2.721 1.00 0.00 H new ATOM 2107 N ALA A 130 0.775 -1.963 -5.491 1.00 0.00 N ATOM 2108 CA ALA A 130 1.081 -3.362 -5.765 1.00 0.00 C ATOM 2109 C ALA A 130 1.758 -4.018 -4.567 1.00 0.00 C ATOM 2110 O ALA A 130 2.544 -3.385 -3.863 1.00 0.00 O ATOM 2111 CB ALA A 130 1.962 -3.477 -7.000 1.00 0.00 C ATOM 0 H ALA A 130 1.594 -1.377 -5.329 1.00 0.00 H new ATOM 0 HA ALA A 130 0.143 -3.885 -5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 130 2.183 -4.527 -7.193 1.00 0.00 H new ATOM 0 HB2 ALA A 130 1.442 -3.052 -7.859 1.00 0.00 H new ATOM 0 HB3 ALA A 130 2.893 -2.935 -6.834 1.00 0.00 H new ATOM 2117 N SER A 131 1.448 -5.290 -4.340 1.00 0.00 N ATOM 2118 CA SER A 131 2.028 -6.031 -3.225 1.00 0.00 C ATOM 2119 C SER A 131 3.002 -7.094 -3.723 1.00 0.00 C ATOM 2120 O SER A 131 2.656 -7.921 -4.566 1.00 0.00 O ATOM 2121 CB SER A 131 0.925 -6.685 -2.391 1.00 0.00 C ATOM 2122 OG SER A 131 1.313 -6.802 -1.033 1.00 0.00 O ATOM 0 H SER A 131 0.799 -5.829 -4.913 1.00 0.00 H new ATOM 0 HA SER A 131 2.577 -5.326 -2.601 1.00 0.00 H new ATOM 0 HB2 SER A 131 0.012 -6.093 -2.462 1.00 0.00 H new ATOM 0 HB3 SER A 131 0.697 -7.672 -2.794 1.00 0.00 H new ATOM 0 HG SER A 131 0.590 -7.221 -0.521 1.00 0.00 H new ATOM 2128 N VAL A 132 4.221 -7.066 -3.193 1.00 0.00 N ATOM 2129 CA VAL A 132 5.245 -8.027 -3.583 1.00 0.00 C ATOM 2130 C VAL A 132 5.973 -8.577 -2.361 1.00 0.00 C ATOM 2131 O VAL A 132 6.662 -7.841 -1.654 1.00 0.00 O ATOM 2132 CB VAL A 132 6.275 -7.397 -4.539 1.00 0.00 C ATOM 2133 CG1 VAL A 132 7.212 -8.460 -5.091 1.00 0.00 C ATOM 2134 CG2 VAL A 132 5.573 -6.656 -5.667 1.00 0.00 C ATOM 0 H VAL A 132 4.523 -6.388 -2.493 1.00 0.00 H new ATOM 0 HA VAL A 132 4.735 -8.841 -4.098 1.00 0.00 H new ATOM 0 HB VAL A 132 6.871 -6.677 -3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 132 7.933 -7.996 -5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 132 7.742 -8.941 -4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 132 6.634 -9.206 -5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 132 6.317 -6.217 -6.332 1.00 0.00 H new ATOM 0 HG22 VAL A 132 4.950 -7.353 -6.228 1.00 0.00 H new ATOM 0 HG23 VAL A 132 4.948 -5.866 -5.250 1.00 0.00 H new ATOM 2144 N GLY A 133 5.817 -9.874 -2.118 1.00 0.00 N ATOM 2145 CA GLY A 133 6.465 -10.498 -0.980 1.00 0.00 C ATOM 2146 C GLY A 133 7.721 -11.254 -1.370 1.00 0.00 C ATOM 2147 O GLY A 133 7.650 -12.287 -2.036 1.00 0.00 O ATOM 0 H GLY A 133 5.253 -10.504 -2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 133 6.718 -9.733 -0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 133 5.767 -11.183 -0.499 1.00 0.00 H new ATOM 2151 N TYR A 134 8.872 -10.739 -0.953 1.00 0.00 N ATOM 2152 CA TYR A 134 10.149 -11.373 -1.261 1.00 0.00 C ATOM 2153 C TYR A 134 11.009 -11.499 -0.006 1.00 0.00 C ATOM 2154 O TYR A 134 11.426 -10.499 0.576 1.00 0.00 O ATOM 2155 CB TYR A 134 10.894 -10.570 -2.330 1.00 0.00 C ATOM 2156 CG TYR A 134 11.000 -11.285 -3.660 1.00 0.00 C ATOM 2157 CD1 TYR A 134 11.690 -12.485 -3.772 1.00 0.00 C ATOM 2158 CD2 TYR A 134 10.408 -10.759 -4.801 1.00 0.00 C ATOM 2159 CE1 TYR A 134 11.788 -13.140 -4.985 1.00 0.00 C ATOM 2160 CE2 TYR A 134 10.501 -11.408 -6.017 1.00 0.00 C ATOM 2161 CZ TYR A 134 11.192 -12.598 -6.104 1.00 0.00 C ATOM 2162 OH TYR A 134 11.288 -13.248 -7.313 1.00 0.00 O ATOM 0 H TYR A 134 8.947 -9.885 -0.401 1.00 0.00 H new ATOM 0 HA TYR A 134 9.950 -12.374 -1.643 1.00 0.00 H new ATOM 0 HB2 TYR A 134 10.385 -9.618 -2.478 1.00 0.00 H new ATOM 0 HB3 TYR A 134 11.897 -10.342 -1.968 1.00 0.00 H new ATOM 0 HD1 TYR A 134 12.157 -12.913 -2.897 1.00 0.00 H new ATOM 0 HD2 TYR A 134 9.866 -9.827 -4.737 1.00 0.00 H new ATOM 0 HE1 TYR A 134 12.329 -14.072 -5.056 1.00 0.00 H new ATOM 0 HE2 TYR A 134 10.035 -10.985 -6.895 1.00 0.00 H new ATOM 0 HH TYR A 134 10.813 -12.734 -7.999 1.00 0.00 H new ATOM 2172 N GLY A 135 11.269 -12.736 0.404 1.00 0.00 N ATOM 2173 CA GLY A 135 12.078 -12.969 1.586 1.00 0.00 C ATOM 2174 C GLY A 135 11.468 -12.356 2.833 1.00 0.00 C ATOM 2175 O GLY A 135 10.247 -12.233 2.933 1.00 0.00 O ATOM 0 H GLY A 135 10.934 -13.580 -0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 135 12.200 -14.042 1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 135 13.074 -12.554 1.430 1.00 0.00 H new ATOM 2179 N PRO A 136 12.299 -11.959 3.811 1.00 0.00 N ATOM 2180 CA PRO A 136 11.822 -11.356 5.059 1.00 0.00 C ATOM 2181 C PRO A 136 11.382 -9.904 4.883 1.00 0.00 C ATOM 2182 O PRO A 136 10.903 -9.276 5.829 1.00 0.00 O ATOM 2183 CB PRO A 136 13.045 -11.437 5.970 1.00 0.00 C ATOM 2184 CG PRO A 136 14.208 -11.376 5.042 1.00 0.00 C ATOM 2185 CD PRO A 136 13.771 -12.069 3.778 1.00 0.00 C ATOM 0 HA PRO A 136 10.941 -11.867 5.448 1.00 0.00 H new ATOM 0 HB2 PRO A 136 13.063 -10.613 6.684 1.00 0.00 H new ATOM 0 HB3 PRO A 136 13.048 -12.360 6.549 1.00 0.00 H new ATOM 0 HG2 PRO A 136 14.493 -10.343 4.842 1.00 0.00 H new ATOM 0 HG3 PRO A 136 15.079 -11.868 5.475 1.00 0.00 H new ATOM 0 HD2 PRO A 136 14.189 -11.589 2.893 1.00 0.00 H new ATOM 0 HD3 PRO A 136 14.095 -13.110 3.759 1.00 0.00 H new ATOM 2193 N VAL A 137 11.549 -9.371 3.676 1.00 0.00 N ATOM 2194 CA VAL A 137 11.169 -7.991 3.393 1.00 0.00 C ATOM 2195 C VAL A 137 10.047 -7.928 2.362 1.00 0.00 C ATOM 2196 O VAL A 137 9.879 -8.842 1.554 1.00 0.00 O ATOM 2197 CB VAL A 137 12.368 -7.172 2.880 1.00 0.00 C ATOM 2198 CG1 VAL A 137 12.007 -5.697 2.785 1.00 0.00 C ATOM 2199 CG2 VAL A 137 13.577 -7.375 3.780 1.00 0.00 C ATOM 0 H VAL A 137 11.944 -9.872 2.880 1.00 0.00 H new ATOM 0 HA VAL A 137 10.820 -7.562 4.332 1.00 0.00 H new ATOM 0 HB VAL A 137 12.624 -7.524 1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 137 12.867 -5.135 2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 137 11.172 -5.570 2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 137 11.723 -5.328 3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 137 14.415 -6.789 3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 137 13.335 -7.052 4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 137 13.849 -8.430 3.791 1.00 0.00 H new ATOM 2209 N THR A 138 9.283 -6.841 2.395 1.00 0.00 N ATOM 2210 CA THR A 138 8.177 -6.655 1.463 1.00 0.00 C ATOM 2211 C THR A 138 8.303 -5.322 0.732 1.00 0.00 C ATOM 2212 O THR A 138 8.757 -4.331 1.302 1.00 0.00 O ATOM 2213 CB THR A 138 6.841 -6.721 2.206 1.00 0.00 C ATOM 2214 OG1 THR A 138 7.015 -6.419 3.579 1.00 0.00 O ATOM 2215 CG2 THR A 138 6.173 -8.075 2.116 1.00 0.00 C ATOM 0 H THR A 138 9.410 -6.076 3.057 1.00 0.00 H new ATOM 0 HA THR A 138 8.214 -7.457 0.726 1.00 0.00 H new ATOM 0 HB THR A 138 6.202 -5.985 1.717 1.00 0.00 H new ATOM 0 HG1 THR A 138 7.738 -5.766 3.681 1.00 0.00 H new ATOM 0 HG21 THR A 138 5.231 -8.053 2.664 1.00 0.00 H new ATOM 0 HG22 THR A 138 5.979 -8.316 1.071 1.00 0.00 H new ATOM 0 HG23 THR A 138 6.827 -8.833 2.548 1.00 0.00 H new ATOM 2223 N PHE A 139 7.900 -5.305 -0.535 1.00 0.00 N ATOM 2224 CA PHE A 139 7.970 -4.094 -1.343 1.00 0.00 C ATOM 2225 C PHE A 139 6.597 -3.733 -1.903 1.00 0.00 C ATOM 2226 O PHE A 139 5.793 -4.610 -2.218 1.00 0.00 O ATOM 2227 CB PHE A 139 8.972 -4.275 -2.487 1.00 0.00 C ATOM 2228 CG PHE A 139 10.064 -3.245 -2.496 1.00 0.00 C ATOM 2229 CD1 PHE A 139 11.219 -3.434 -1.753 1.00 0.00 C ATOM 2230 CD2 PHE A 139 9.938 -2.088 -3.248 1.00 0.00 C ATOM 2231 CE1 PHE A 139 12.226 -2.488 -1.759 1.00 0.00 C ATOM 2232 CE2 PHE A 139 10.942 -1.138 -3.257 1.00 0.00 C ATOM 2233 CZ PHE A 139 12.087 -1.339 -2.513 1.00 0.00 C ATOM 0 H PHE A 139 7.522 -6.117 -1.024 1.00 0.00 H new ATOM 0 HA PHE A 139 8.306 -3.278 -0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 139 9.419 -5.266 -2.414 1.00 0.00 H new ATOM 0 HB3 PHE A 139 8.438 -4.235 -3.437 1.00 0.00 H new ATOM 0 HD1 PHE A 139 11.333 -4.331 -1.163 1.00 0.00 H new ATOM 0 HD2 PHE A 139 9.045 -1.927 -3.834 1.00 0.00 H new ATOM 0 HE1 PHE A 139 13.121 -2.647 -1.175 1.00 0.00 H new ATOM 0 HE2 PHE A 139 10.831 -0.239 -3.846 1.00 0.00 H new ATOM 0 HZ PHE A 139 12.873 -0.599 -2.520 1.00 0.00 H new ATOM 2243 N GLN A 140 6.336 -2.435 -2.024 1.00 0.00 N ATOM 2244 CA GLN A 140 5.061 -1.957 -2.546 1.00 0.00 C ATOM 2245 C GLN A 140 5.277 -0.877 -3.602 1.00 0.00 C ATOM 2246 O GLN A 140 6.279 -0.163 -3.578 1.00 0.00 O ATOM 2247 CB GLN A 140 4.194 -1.410 -1.410 1.00 0.00 C ATOM 2248 CG GLN A 140 3.569 -2.494 -0.547 1.00 0.00 C ATOM 2249 CD GLN A 140 2.177 -2.127 -0.068 1.00 0.00 C ATOM 2250 OE1 GLN A 140 1.630 -1.092 -0.448 1.00 0.00 O ATOM 2251 NE2 GLN A 140 1.597 -2.977 0.771 1.00 0.00 N ATOM 0 H GLN A 140 6.990 -1.696 -1.768 1.00 0.00 H new ATOM 0 HA GLN A 140 4.548 -2.799 -3.012 1.00 0.00 H new ATOM 0 HB2 GLN A 140 4.802 -0.761 -0.780 1.00 0.00 H new ATOM 0 HB3 GLN A 140 3.402 -0.792 -1.833 1.00 0.00 H new ATOM 0 HG2 GLN A 140 3.521 -3.423 -1.115 1.00 0.00 H new ATOM 0 HG3 GLN A 140 4.209 -2.681 0.316 1.00 0.00 H new ATOM 0 HE21 GLN A 140 2.088 -3.823 1.060 1.00 0.00 H new ATOM 0 HE22 GLN A 140 0.661 -2.784 1.127 1.00 0.00 H new ATOM 2260 N MET A 141 4.330 -0.764 -4.528 1.00 0.00 N ATOM 2261 CA MET A 141 4.417 0.228 -5.592 1.00 0.00 C ATOM 2262 C MET A 141 3.123 1.028 -5.699 1.00 0.00 C ATOM 2263 O MET A 141 2.059 0.471 -5.971 1.00 0.00 O ATOM 2264 CB MET A 141 4.720 -0.454 -6.929 1.00 0.00 C ATOM 2265 CG MET A 141 5.563 0.395 -7.867 1.00 0.00 C ATOM 2266 SD MET A 141 7.275 -0.163 -7.964 1.00 0.00 S ATOM 2267 CE MET A 141 7.696 -0.268 -6.226 1.00 0.00 C ATOM 0 H MET A 141 3.494 -1.347 -4.562 1.00 0.00 H new ATOM 0 HA MET A 141 5.228 0.915 -5.349 1.00 0.00 H new ATOM 0 HB2 MET A 141 5.238 -1.394 -6.739 1.00 0.00 H new ATOM 0 HB3 MET A 141 3.780 -0.702 -7.422 1.00 0.00 H new ATOM 0 HG2 MET A 141 5.122 0.375 -8.864 1.00 0.00 H new ATOM 0 HG3 MET A 141 5.542 1.431 -7.530 1.00 0.00 H new ATOM 0 HE1 MET A 141 8.769 -0.427 -6.121 1.00 0.00 H new ATOM 0 HE2 MET A 141 7.416 0.660 -5.727 1.00 0.00 H new ATOM 0 HE3 MET A 141 7.159 -1.101 -5.771 1.00 0.00 H new ATOM 2277 N THR A 142 3.221 2.335 -5.486 1.00 0.00 N ATOM 2278 CA THR A 142 2.058 3.210 -5.559 1.00 0.00 C ATOM 2279 C THR A 142 1.925 3.821 -6.950 1.00 0.00 C ATOM 2280 O THR A 142 2.796 4.568 -7.396 1.00 0.00 O ATOM 2281 CB THR A 142 2.160 4.319 -4.510 1.00 0.00 C ATOM 2282 OG1 THR A 142 2.439 3.776 -3.232 1.00 0.00 O ATOM 2283 CG2 THR A 142 0.899 5.149 -4.392 1.00 0.00 C ATOM 0 H THR A 142 4.094 2.812 -5.261 1.00 0.00 H new ATOM 0 HA THR A 142 1.170 2.611 -5.358 1.00 0.00 H new ATOM 0 HB THR A 142 2.970 4.965 -4.850 1.00 0.00 H new ATOM 0 HG1 THR A 142 2.502 4.501 -2.575 1.00 0.00 H new ATOM 0 HG21 THR A 142 1.039 5.917 -3.631 1.00 0.00 H new ATOM 0 HG22 THR A 142 0.684 5.622 -5.350 1.00 0.00 H new ATOM 0 HG23 THR A 142 0.065 4.506 -4.110 1.00 0.00 H new ATOM 2291 N TYR A 143 0.831 3.497 -7.632 1.00 0.00 N ATOM 2292 CA TYR A 143 0.588 4.015 -8.973 1.00 0.00 C ATOM 2293 C TYR A 143 -0.888 4.339 -9.173 1.00 0.00 C ATOM 2294 O TYR A 143 -1.750 3.472 -9.034 1.00 0.00 O ATOM 2295 CB TYR A 143 1.046 3.002 -10.025 1.00 0.00 C ATOM 2296 CG TYR A 143 0.994 3.533 -11.439 1.00 0.00 C ATOM 2297 CD1 TYR A 143 1.815 4.579 -11.840 1.00 0.00 C ATOM 2298 CD2 TYR A 143 0.123 2.987 -12.375 1.00 0.00 C ATOM 2299 CE1 TYR A 143 1.771 5.066 -13.133 1.00 0.00 C ATOM 2300 CE2 TYR A 143 0.074 3.468 -13.669 1.00 0.00 C ATOM 2301 CZ TYR A 143 0.899 4.508 -14.043 1.00 0.00 C ATOM 2302 OH TYR A 143 0.853 4.990 -15.331 1.00 0.00 O ATOM 0 H TYR A 143 0.100 2.879 -7.279 1.00 0.00 H new ATOM 0 HA TYR A 143 1.162 4.934 -9.089 1.00 0.00 H new ATOM 0 HB2 TYR A 143 2.066 2.693 -9.799 1.00 0.00 H new ATOM 0 HB3 TYR A 143 0.421 2.112 -9.957 1.00 0.00 H new ATOM 0 HD1 TYR A 143 2.499 5.019 -11.130 1.00 0.00 H new ATOM 0 HD2 TYR A 143 -0.526 2.174 -12.086 1.00 0.00 H new ATOM 0 HE1 TYR A 143 2.417 5.880 -13.429 1.00 0.00 H new ATOM 0 HE2 TYR A 143 -0.607 3.032 -14.385 1.00 0.00 H new ATOM 0 HH TYR A 143 0.187 4.487 -15.845 1.00 0.00 H new ATOM 2312 N ILE A 144 -1.173 5.595 -9.502 1.00 0.00 N ATOM 2313 CA ILE A 144 -2.545 6.036 -9.723 1.00 0.00 C ATOM 2314 C ILE A 144 -2.830 6.214 -11.213 1.00 0.00 C ATOM 2315 O ILE A 144 -2.467 7.231 -11.803 1.00 0.00 O ATOM 2316 CB ILE A 144 -2.831 7.364 -8.997 1.00 0.00 C ATOM 2317 CG1 ILE A 144 -2.364 7.286 -7.543 1.00 0.00 C ATOM 2318 CG2 ILE A 144 -4.315 7.696 -9.066 1.00 0.00 C ATOM 2319 CD1 ILE A 144 -2.488 8.597 -6.797 1.00 0.00 C ATOM 0 H ILE A 144 -0.471 6.326 -9.621 1.00 0.00 H new ATOM 0 HA ILE A 144 -3.197 5.261 -9.319 1.00 0.00 H new ATOM 0 HB ILE A 144 -2.277 8.160 -9.494 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -2.946 6.525 -7.023 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -1.324 6.962 -7.521 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -4.502 8.637 -8.549 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -4.619 7.789 -10.109 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -4.888 6.900 -8.590 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -2.139 8.467 -5.773 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -1.883 9.356 -7.293 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -3.531 8.913 -6.787 1.00 0.00 H new ATOM 2331 N PRO A 145 -3.489 5.225 -11.845 1.00 0.00 N ATOM 2332 CA PRO A 145 -3.817 5.286 -13.273 1.00 0.00 C ATOM 2333 C PRO A 145 -4.887 6.329 -13.576 1.00 0.00 C ATOM 2334 O PRO A 145 -5.901 6.413 -12.884 1.00 0.00 O ATOM 2335 CB PRO A 145 -4.339 3.881 -13.579 1.00 0.00 C ATOM 2336 CG PRO A 145 -4.849 3.373 -12.275 1.00 0.00 C ATOM 2337 CD PRO A 145 -3.961 3.974 -11.221 1.00 0.00 C ATOM 0 HA PRO A 145 -2.957 5.576 -13.877 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -5.129 3.907 -14.330 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -3.548 3.242 -13.971 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -5.888 3.664 -12.122 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -4.815 2.284 -12.240 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -4.507 4.167 -10.297 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -3.132 3.313 -10.969 1.00 0.00 H new ATOM 2345 N GLY A 146 -4.653 7.124 -14.616 1.00 0.00 N ATOM 2346 CA GLY A 146 -5.606 8.151 -14.993 1.00 0.00 C ATOM 2347 C GLY A 146 -5.670 8.361 -16.492 1.00 0.00 C ATOM 2348 O GLY A 146 -4.824 7.859 -17.233 1.00 0.00 O ATOM 0 H GLY A 146 -3.821 7.075 -15.204 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -6.595 7.877 -14.625 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -5.335 9.089 -14.509 1.00 0.00 H new ATOM 2352 N THR A 147 -6.676 9.106 -16.941 1.00 0.00 N ATOM 2353 CA THR A 147 -6.848 9.381 -18.362 1.00 0.00 C ATOM 2354 C THR A 147 -6.701 10.872 -18.649 1.00 0.00 C ATOM 2355 O THR A 147 -7.474 11.690 -18.150 1.00 0.00 O ATOM 2356 CB THR A 147 -8.218 8.892 -18.835 1.00 0.00 C ATOM 2357 OG1 THR A 147 -8.426 9.222 -20.197 1.00 0.00 O ATOM 2358 CG2 THR A 147 -9.367 9.475 -18.041 1.00 0.00 C ATOM 0 H THR A 147 -7.384 9.529 -16.341 1.00 0.00 H new ATOM 0 HA THR A 147 -6.070 8.846 -18.907 1.00 0.00 H new ATOM 0 HB THR A 147 -8.206 7.812 -18.688 1.00 0.00 H new ATOM 0 HG1 THR A 147 -9.307 8.900 -20.481 1.00 0.00 H new ATOM 0 HG21 THR A 147 -10.310 9.088 -18.427 1.00 0.00 H new ATOM 0 HG22 THR A 147 -9.263 9.197 -16.992 1.00 0.00 H new ATOM 0 HG23 THR A 147 -9.357 10.561 -18.131 1.00 0.00 H new ATOM 2366 N TYR A 148 -5.705 11.218 -19.457 1.00 0.00 N ATOM 2367 CA TYR A 148 -5.457 12.610 -19.812 1.00 0.00 C ATOM 2368 C TYR A 148 -5.158 13.444 -18.570 1.00 0.00 C ATOM 2369 O TYR A 148 -5.506 14.624 -18.503 1.00 0.00 O ATOM 2370 CB TYR A 148 -6.662 13.193 -20.553 1.00 0.00 C ATOM 2371 CG TYR A 148 -6.287 14.164 -21.649 1.00 0.00 C ATOM 2372 CD1 TYR A 148 -5.443 13.781 -22.684 1.00 0.00 C ATOM 2373 CD2 TYR A 148 -6.779 15.463 -21.651 1.00 0.00 C ATOM 2374 CE1 TYR A 148 -5.098 14.666 -23.688 1.00 0.00 C ATOM 2375 CE2 TYR A 148 -6.440 16.353 -22.652 1.00 0.00 C ATOM 2376 CZ TYR A 148 -5.599 15.950 -23.668 1.00 0.00 C ATOM 2377 OH TYR A 148 -5.259 16.834 -24.666 1.00 0.00 O ATOM 0 H TYR A 148 -5.056 10.553 -19.879 1.00 0.00 H new ATOM 0 HA TYR A 148 -4.586 12.641 -20.467 1.00 0.00 H new ATOM 0 HB2 TYR A 148 -7.242 12.377 -20.985 1.00 0.00 H new ATOM 0 HB3 TYR A 148 -7.309 13.699 -19.836 1.00 0.00 H new ATOM 0 HD1 TYR A 148 -5.050 12.775 -22.704 1.00 0.00 H new ATOM 0 HD2 TYR A 148 -7.437 15.783 -20.857 1.00 0.00 H new ATOM 0 HE1 TYR A 148 -4.439 14.353 -24.484 1.00 0.00 H new ATOM 0 HE2 TYR A 148 -6.832 17.359 -22.639 1.00 0.00 H new ATOM 0 HH TYR A 148 -5.697 17.695 -24.504 1.00 0.00 H new ATOM 2387 N ASN A 149 -4.512 12.824 -17.588 1.00 0.00 N ATOM 2388 CA ASN A 149 -4.167 13.509 -16.348 1.00 0.00 C ATOM 2389 C ASN A 149 -2.667 13.781 -16.277 1.00 0.00 C ATOM 2390 O ASN A 149 -2.241 14.867 -15.885 1.00 0.00 O ATOM 2391 CB ASN A 149 -4.607 12.677 -15.141 1.00 0.00 C ATOM 2392 CG ASN A 149 -5.851 13.234 -14.478 1.00 0.00 C ATOM 2393 OD1 ASN A 149 -6.749 13.745 -15.148 1.00 0.00 O ATOM 2394 ND2 ASN A 149 -5.911 13.138 -13.155 1.00 0.00 N ATOM 0 H ASN A 149 -4.217 11.848 -17.627 1.00 0.00 H new ATOM 0 HA ASN A 149 -4.692 14.464 -16.330 1.00 0.00 H new ATOM 0 HB2 ASN A 149 -4.796 11.652 -15.459 1.00 0.00 H new ATOM 0 HB3 ASN A 149 -3.796 12.640 -14.413 1.00 0.00 H new ATOM 0 HD21 ASN A 149 -6.724 13.495 -12.654 1.00 0.00 H new ATOM 0 HD22 ASN A 149 -5.144 12.707 -12.640 1.00 0.00 H new ATOM 2401 N ASN A 150 -1.872 12.787 -16.659 1.00 0.00 N ATOM 2402 CA ASN A 150 -0.420 12.918 -16.639 1.00 0.00 C ATOM 2403 C ASN A 150 0.082 13.192 -15.225 1.00 0.00 C ATOM 2404 O ASN A 150 -0.709 13.361 -14.297 1.00 0.00 O ATOM 2405 CB ASN A 150 0.025 14.042 -17.577 1.00 0.00 C ATOM 2406 CG ASN A 150 0.325 13.541 -18.976 1.00 0.00 C ATOM 2407 OD1 ASN A 150 1.323 12.857 -19.203 1.00 0.00 O ATOM 2408 ND2 ASN A 150 -0.539 13.883 -19.925 1.00 0.00 N ATOM 0 H ASN A 150 -2.209 11.882 -16.986 1.00 0.00 H new ATOM 0 HA ASN A 150 0.009 11.977 -16.982 1.00 0.00 H new ATOM 0 HB2 ASN A 150 -0.755 14.802 -17.625 1.00 0.00 H new ATOM 0 HB3 ASN A 150 0.913 14.523 -17.168 1.00 0.00 H new ATOM 0 HD21 ASN A 150 -0.388 13.577 -20.886 1.00 0.00 H new ATOM 0 HD22 ASN A 150 -1.353 14.451 -19.692 1.00 0.00 H new ATOM 2415 N GLY A 151 1.401 13.234 -15.068 1.00 0.00 N ATOM 2416 CA GLY A 151 1.986 13.488 -13.765 1.00 0.00 C ATOM 2417 C GLY A 151 2.054 12.240 -12.908 1.00 0.00 C ATOM 2418 O GLY A 151 2.019 12.319 -11.679 1.00 0.00 O ATOM 0 H GLY A 151 2.075 13.097 -15.821 1.00 0.00 H new ATOM 0 HA2 GLY A 151 2.990 13.892 -13.893 1.00 0.00 H new ATOM 0 HA3 GLY A 151 1.400 14.248 -13.249 1.00 0.00 H new ATOM 2422 N ASN A 152 2.151 11.083 -13.555 1.00 0.00 N ATOM 2423 CA ASN A 152 2.224 9.812 -12.844 1.00 0.00 C ATOM 2424 C ASN A 152 3.647 9.536 -12.369 1.00 0.00 C ATOM 2425 O ASN A 152 4.577 9.462 -13.173 1.00 0.00 O ATOM 2426 CB ASN A 152 1.743 8.672 -13.743 1.00 0.00 C ATOM 2427 CG ASN A 152 0.353 8.919 -14.297 1.00 0.00 C ATOM 2428 OD1 ASN A 152 0.191 9.580 -15.323 1.00 0.00 O ATOM 2429 ND2 ASN A 152 -0.657 8.390 -13.619 1.00 0.00 N ATOM 0 H ASN A 152 2.181 11.000 -14.571 1.00 0.00 H new ATOM 0 HA ASN A 152 1.574 9.874 -11.971 1.00 0.00 H new ATOM 0 HB2 ASN A 152 2.443 8.544 -14.569 1.00 0.00 H new ATOM 0 HB3 ASN A 152 1.745 7.741 -13.177 1.00 0.00 H new ATOM 0 HD21 ASN A 152 -1.615 8.524 -13.943 1.00 0.00 H new ATOM 0 HD22 ASN A 152 -0.476 7.849 -12.773 1.00 0.00 H new ATOM 2436 N VAL A 153 3.810 9.383 -11.059 1.00 0.00 N ATOM 2437 CA VAL A 153 5.119 9.115 -10.477 1.00 0.00 C ATOM 2438 C VAL A 153 5.107 7.819 -9.673 1.00 0.00 C ATOM 2439 O VAL A 153 4.314 7.659 -8.745 1.00 0.00 O ATOM 2440 CB VAL A 153 5.576 10.267 -9.564 1.00 0.00 C ATOM 2441 CG1 VAL A 153 6.002 11.469 -10.393 1.00 0.00 C ATOM 2442 CG2 VAL A 153 4.470 10.648 -8.591 1.00 0.00 C ATOM 0 H VAL A 153 3.051 9.440 -10.380 1.00 0.00 H new ATOM 0 HA VAL A 153 5.820 9.020 -11.306 1.00 0.00 H new ATOM 0 HB VAL A 153 6.437 9.929 -8.987 1.00 0.00 H new ATOM 0 HG11 VAL A 153 6.322 12.273 -9.730 1.00 0.00 H new ATOM 0 HG12 VAL A 153 6.828 11.187 -11.046 1.00 0.00 H new ATOM 0 HG13 VAL A 153 5.162 11.810 -10.998 1.00 0.00 H new ATOM 0 HG21 VAL A 153 4.811 11.464 -7.954 1.00 0.00 H new ATOM 0 HG22 VAL A 153 3.589 10.967 -9.148 1.00 0.00 H new ATOM 0 HG23 VAL A 153 4.216 9.787 -7.973 1.00 0.00 H new ATOM 2452 N TYR A 154 5.993 6.896 -10.034 1.00 0.00 N ATOM 2453 CA TYR A 154 6.085 5.614 -9.345 1.00 0.00 C ATOM 2454 C TYR A 154 6.711 5.782 -7.964 1.00 0.00 C ATOM 2455 O TYR A 154 7.876 6.158 -7.842 1.00 0.00 O ATOM 2456 CB TYR A 154 6.906 4.625 -10.173 1.00 0.00 C ATOM 2457 CG TYR A 154 6.422 4.476 -11.598 1.00 0.00 C ATOM 2458 CD1 TYR A 154 5.157 3.973 -11.873 1.00 0.00 C ATOM 2459 CD2 TYR A 154 7.231 4.838 -12.668 1.00 0.00 C ATOM 2460 CE1 TYR A 154 4.710 3.836 -13.174 1.00 0.00 C ATOM 2461 CE2 TYR A 154 6.791 4.704 -13.971 1.00 0.00 C ATOM 2462 CZ TYR A 154 5.531 4.203 -14.218 1.00 0.00 C ATOM 2463 OH TYR A 154 5.090 4.068 -15.515 1.00 0.00 O ATOM 0 H TYR A 154 6.657 7.012 -10.799 1.00 0.00 H new ATOM 0 HA TYR A 154 5.075 5.223 -9.221 1.00 0.00 H new ATOM 0 HB2 TYR A 154 7.946 4.950 -10.184 1.00 0.00 H new ATOM 0 HB3 TYR A 154 6.882 3.650 -9.687 1.00 0.00 H new ATOM 0 HD1 TYR A 154 4.512 3.684 -11.057 1.00 0.00 H new ATOM 0 HD2 TYR A 154 8.219 5.230 -12.478 1.00 0.00 H new ATOM 0 HE1 TYR A 154 3.723 3.444 -13.371 1.00 0.00 H new ATOM 0 HE2 TYR A 154 7.431 4.991 -14.792 1.00 0.00 H new ATOM 0 HH TYR A 154 5.788 4.372 -16.131 1.00 0.00 H new ATOM 2473 N PHE A 155 5.929 5.500 -6.927 1.00 0.00 N ATOM 2474 CA PHE A 155 6.407 5.620 -5.555 1.00 0.00 C ATOM 2475 C PHE A 155 6.705 4.247 -4.961 1.00 0.00 C ATOM 2476 O PHE A 155 5.966 3.288 -5.186 1.00 0.00 O ATOM 2477 CB PHE A 155 5.373 6.352 -4.695 1.00 0.00 C ATOM 2478 CG PHE A 155 5.911 7.590 -4.036 1.00 0.00 C ATOM 2479 CD1 PHE A 155 6.400 8.640 -4.798 1.00 0.00 C ATOM 2480 CD2 PHE A 155 5.928 7.704 -2.655 1.00 0.00 C ATOM 2481 CE1 PHE A 155 6.896 9.780 -4.195 1.00 0.00 C ATOM 2482 CE2 PHE A 155 6.422 8.843 -2.047 1.00 0.00 C ATOM 2483 CZ PHE A 155 6.907 9.881 -2.817 1.00 0.00 C ATOM 0 H PHE A 155 4.962 5.187 -7.011 1.00 0.00 H new ATOM 0 HA PHE A 155 7.332 6.197 -5.566 1.00 0.00 H new ATOM 0 HB2 PHE A 155 4.520 6.623 -5.318 1.00 0.00 H new ATOM 0 HB3 PHE A 155 5.004 5.672 -3.927 1.00 0.00 H new ATOM 0 HD1 PHE A 155 6.393 8.566 -5.875 1.00 0.00 H new ATOM 0 HD2 PHE A 155 5.551 6.894 -2.047 1.00 0.00 H new ATOM 0 HE1 PHE A 155 7.274 10.591 -4.800 1.00 0.00 H new ATOM 0 HE2 PHE A 155 6.428 8.921 -0.970 1.00 0.00 H new ATOM 0 HZ PHE A 155 7.294 10.771 -2.343 1.00 0.00 H new ATOM 2493 N ALA A 156 7.794 4.160 -4.205 1.00 0.00 N ATOM 2494 CA ALA A 156 8.192 2.904 -3.580 1.00 0.00 C ATOM 2495 C ALA A 156 7.928 2.930 -2.078 1.00 0.00 C ATOM 2496 O ALA A 156 8.147 3.945 -1.417 1.00 0.00 O ATOM 2497 CB ALA A 156 9.661 2.621 -3.854 1.00 0.00 C ATOM 0 H ALA A 156 8.417 4.944 -4.010 1.00 0.00 H new ATOM 0 HA ALA A 156 7.592 2.105 -4.014 1.00 0.00 H new ATOM 0 HB1 ALA A 156 9.945 1.681 -3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 156 9.823 2.550 -4.930 1.00 0.00 H new ATOM 0 HB3 ALA A 156 10.269 3.429 -3.447 1.00 0.00 H new ATOM 2503 N TRP A 157 7.456 1.807 -1.546 1.00 0.00 N ATOM 2504 CA TRP A 157 7.163 1.700 -0.121 1.00 0.00 C ATOM 2505 C TRP A 157 7.807 0.452 0.474 1.00 0.00 C ATOM 2506 O TRP A 157 7.935 -0.572 -0.196 1.00 0.00 O ATOM 2507 CB TRP A 157 5.651 1.667 0.108 1.00 0.00 C ATOM 2508 CG TRP A 157 5.053 3.023 0.329 1.00 0.00 C ATOM 2509 CD1 TRP A 157 4.841 3.988 -0.614 1.00 0.00 C ATOM 2510 CD2 TRP A 157 4.591 3.565 1.571 1.00 0.00 C ATOM 2511 NE1 TRP A 157 4.276 5.097 -0.034 1.00 0.00 N ATOM 2512 CE2 TRP A 157 4.112 4.862 1.306 1.00 0.00 C ATOM 2513 CE3 TRP A 157 4.535 3.079 2.879 1.00 0.00 C ATOM 2514 CZ2 TRP A 157 3.584 5.678 2.304 1.00 0.00 C ATOM 2515 CZ3 TRP A 157 4.011 3.890 3.869 1.00 0.00 C ATOM 2516 CH2 TRP A 157 3.541 5.177 3.577 1.00 0.00 C ATOM 0 H TRP A 157 7.268 0.958 -2.080 1.00 0.00 H new ATOM 0 HA TRP A 157 7.580 2.575 0.378 1.00 0.00 H new ATOM 0 HB2 TRP A 157 5.171 1.202 -0.753 1.00 0.00 H new ATOM 0 HB3 TRP A 157 5.435 1.038 0.972 1.00 0.00 H new ATOM 0 HD1 TRP A 157 5.082 3.893 -1.662 1.00 0.00 H new ATOM 0 HE1 TRP A 157 4.020 5.956 -0.521 1.00 0.00 H new ATOM 0 HE3 TRP A 157 4.894 2.088 3.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 157 3.221 6.671 2.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 157 3.963 3.525 4.884 1.00 0.00 H new ATOM 0 HH2 TRP A 157 3.137 5.786 4.372 1.00 0.00 H new ATOM 2527 N MET A 158 8.209 0.546 1.737 1.00 0.00 N ATOM 2528 CA MET A 158 8.840 -0.576 2.424 1.00 0.00 C ATOM 2529 C MET A 158 7.925 -1.131 3.511 1.00 0.00 C ATOM 2530 O MET A 158 7.285 -0.376 4.243 1.00 0.00 O ATOM 2531 CB MET A 158 10.174 -0.144 3.035 1.00 0.00 C ATOM 2532 CG MET A 158 10.911 -1.269 3.743 1.00 0.00 C ATOM 2533 SD MET A 158 11.723 -0.723 5.258 1.00 0.00 S ATOM 2534 CE MET A 158 10.592 -1.355 6.495 1.00 0.00 C ATOM 0 H MET A 158 8.109 1.387 2.306 1.00 0.00 H new ATOM 0 HA MET A 158 9.023 -1.362 1.691 1.00 0.00 H new ATOM 0 HB2 MET A 158 10.812 0.258 2.248 1.00 0.00 H new ATOM 0 HB3 MET A 158 9.995 0.664 3.744 1.00 0.00 H new ATOM 0 HG2 MET A 158 10.207 -2.067 3.980 1.00 0.00 H new ATOM 0 HG3 MET A 158 11.656 -1.691 3.068 1.00 0.00 H new ATOM 0 HE1 MET A 158 11.048 -1.272 7.481 1.00 0.00 H new ATOM 0 HE2 MET A 158 9.668 -0.777 6.473 1.00 0.00 H new ATOM 0 HE3 MET A 158 10.370 -2.401 6.285 1.00 0.00 H new ATOM 2544 N ARG A 159 7.870 -2.455 3.612 1.00 0.00 N ATOM 2545 CA ARG A 159 7.034 -3.112 4.610 1.00 0.00 C ATOM 2546 C ARG A 159 7.807 -4.214 5.327 1.00 0.00 C ATOM 2547 O ARG A 159 8.629 -4.902 4.722 1.00 0.00 O ATOM 2548 CB ARG A 159 5.780 -3.694 3.953 1.00 0.00 C ATOM 2549 CG ARG A 159 4.844 -4.384 4.933 1.00 0.00 C ATOM 2550 CD ARG A 159 3.937 -5.381 4.231 1.00 0.00 C ATOM 2551 NE ARG A 159 2.562 -4.898 4.137 1.00 0.00 N ATOM 2552 CZ ARG A 159 1.618 -5.484 3.403 1.00 0.00 C ATOM 2553 NH1 ARG A 159 1.896 -6.575 2.700 1.00 0.00 N ATOM 2554 NH2 ARG A 159 0.392 -4.979 3.374 1.00 0.00 N ATOM 0 H ARG A 159 8.395 -3.094 3.015 1.00 0.00 H new ATOM 0 HA ARG A 159 6.736 -2.366 5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 159 5.239 -2.893 3.449 1.00 0.00 H new ATOM 0 HB3 ARG A 159 6.080 -4.408 3.186 1.00 0.00 H new ATOM 0 HG2 ARG A 159 5.429 -4.898 5.696 1.00 0.00 H new ATOM 0 HG3 ARG A 159 4.237 -3.637 5.445 1.00 0.00 H new ATOM 0 HD2 ARG A 159 4.321 -5.578 3.230 1.00 0.00 H new ATOM 0 HD3 ARG A 159 3.953 -6.328 4.771 1.00 0.00 H new ATOM 0 HE ARG A 159 2.310 -4.062 4.665 1.00 0.00 H new ATOM 0 HH11 ARG A 159 2.837 -6.969 2.720 1.00 0.00 H new ATOM 0 HH12 ARG A 159 1.169 -7.020 2.140 1.00 0.00 H new ATOM 0 HH21 ARG A 159 0.172 -4.142 3.914 1.00 0.00 H new ATOM 0 HH22 ARG A 159 -0.331 -5.428 2.812 1.00 0.00 H new ATOM 2568 N PHE A 160 7.538 -4.375 6.619 1.00 0.00 N ATOM 2569 CA PHE A 160 8.208 -5.394 7.417 1.00 0.00 C ATOM 2570 C PHE A 160 7.192 -6.257 8.160 1.00 0.00 C ATOM 2571 O PHE A 160 6.131 -5.779 8.559 1.00 0.00 O ATOM 2572 CB PHE A 160 9.165 -4.742 8.415 1.00 0.00 C ATOM 2573 CG PHE A 160 9.981 -5.730 9.199 1.00 0.00 C ATOM 2574 CD1 PHE A 160 10.944 -6.506 8.571 1.00 0.00 C ATOM 2575 CD2 PHE A 160 9.786 -5.883 10.562 1.00 0.00 C ATOM 2576 CE1 PHE A 160 11.696 -7.416 9.289 1.00 0.00 C ATOM 2577 CE2 PHE A 160 10.536 -6.792 11.285 1.00 0.00 C ATOM 2578 CZ PHE A 160 11.491 -7.559 10.648 1.00 0.00 C ATOM 0 H PHE A 160 6.861 -3.813 7.135 1.00 0.00 H new ATOM 0 HA PHE A 160 8.777 -6.033 6.742 1.00 0.00 H new ATOM 0 HB2 PHE A 160 9.837 -4.074 7.877 1.00 0.00 H new ATOM 0 HB3 PHE A 160 8.591 -4.127 9.108 1.00 0.00 H new ATOM 0 HD1 PHE A 160 11.108 -6.398 7.509 1.00 0.00 H new ATOM 0 HD2 PHE A 160 9.040 -5.286 11.065 1.00 0.00 H new ATOM 0 HE1 PHE A 160 12.443 -8.015 8.789 1.00 0.00 H new ATOM 0 HE2 PHE A 160 10.375 -6.902 12.347 1.00 0.00 H new ATOM 0 HZ PHE A 160 12.077 -8.270 11.211 1.00 0.00 H new ATOM 2588 N GLN A 161 7.525 -7.532 8.340 1.00 0.00 N ATOM 2589 CA GLN A 161 6.641 -8.462 9.034 1.00 0.00 C ATOM 2590 C GLN A 161 7.361 -9.128 10.202 1.00 0.00 C ATOM 2591 O GLN A 161 8.473 -9.634 10.053 1.00 0.00 O ATOM 2592 CB GLN A 161 6.126 -9.527 8.064 1.00 0.00 C ATOM 2593 CG GLN A 161 5.181 -8.980 7.006 1.00 0.00 C ATOM 2594 CD GLN A 161 3.727 -9.285 7.311 1.00 0.00 C ATOM 2595 OE1 GLN A 161 3.117 -8.657 8.176 1.00 0.00 O ATOM 2596 NE2 GLN A 161 3.164 -10.254 6.598 1.00 0.00 N ATOM 0 H GLN A 161 8.400 -7.944 8.015 1.00 0.00 H new ATOM 0 HA GLN A 161 5.795 -7.897 9.426 1.00 0.00 H new ATOM 0 HB2 GLN A 161 6.976 -9.999 7.571 1.00 0.00 H new ATOM 0 HB3 GLN A 161 5.613 -10.305 8.630 1.00 0.00 H new ATOM 0 HG2 GLN A 161 5.314 -7.901 6.928 1.00 0.00 H new ATOM 0 HG3 GLN A 161 5.442 -9.404 6.036 1.00 0.00 H new ATOM 0 HE21 GLN A 161 3.708 -10.748 5.891 1.00 0.00 H new ATOM 0 HE22 GLN A 161 2.188 -10.504 6.758 1.00 0.00 H new ATOM 2605 N PHE A 162 6.718 -9.124 11.366 1.00 0.00 N ATOM 2606 CA PHE A 162 7.295 -9.729 12.560 1.00 0.00 C ATOM 2607 C PHE A 162 6.519 -10.977 12.967 1.00 0.00 C ATOM 2608 O PHE A 162 5.326 -10.910 13.262 1.00 0.00 O ATOM 2609 CB PHE A 162 7.306 -8.723 13.713 1.00 0.00 C ATOM 2610 CG PHE A 162 8.338 -9.027 14.762 1.00 0.00 C ATOM 2611 CD1 PHE A 162 9.675 -9.154 14.421 1.00 0.00 C ATOM 2612 CD2 PHE A 162 7.970 -9.183 16.089 1.00 0.00 C ATOM 2613 CE1 PHE A 162 10.626 -9.433 15.383 1.00 0.00 C ATOM 2614 CE2 PHE A 162 8.917 -9.462 17.057 1.00 0.00 C ATOM 2615 CZ PHE A 162 10.247 -9.587 16.703 1.00 0.00 C ATOM 0 H PHE A 162 5.797 -8.708 11.507 1.00 0.00 H new ATOM 0 HA PHE A 162 8.320 -10.019 12.330 1.00 0.00 H new ATOM 0 HB2 PHE A 162 7.488 -7.726 13.313 1.00 0.00 H new ATOM 0 HB3 PHE A 162 6.321 -8.704 14.178 1.00 0.00 H new ATOM 0 HD1 PHE A 162 9.977 -9.033 13.391 1.00 0.00 H new ATOM 0 HD2 PHE A 162 6.932 -9.086 16.370 1.00 0.00 H new ATOM 0 HE1 PHE A 162 11.665 -9.531 15.104 1.00 0.00 H new ATOM 0 HE2 PHE A 162 8.618 -9.582 18.088 1.00 0.00 H new ATOM 0 HZ PHE A 162 10.989 -9.805 17.457 1.00 0.00 H new ATOM 2625 N LEU A 163 7.204 -12.116 12.978 1.00 0.00 N ATOM 2626 CA LEU A 163 6.579 -13.380 13.348 1.00 0.00 C ATOM 2627 C LEU A 163 7.447 -14.147 14.341 1.00 0.00 C ATOM 2628 O LEU A 163 8.637 -13.865 14.488 1.00 0.00 O ATOM 2629 CB LEU A 163 6.332 -14.233 12.103 1.00 0.00 C ATOM 2630 CG LEU A 163 5.495 -13.562 11.014 1.00 0.00 C ATOM 2631 CD1 LEU A 163 5.975 -13.982 9.633 1.00 0.00 C ATOM 2632 CD2 LEU A 163 4.022 -13.900 11.192 1.00 0.00 C ATOM 0 H LEU A 163 8.192 -12.189 12.735 1.00 0.00 H new ATOM 0 HA LEU A 163 5.624 -13.159 13.824 1.00 0.00 H new ATOM 0 HB2 LEU A 163 7.295 -14.515 11.678 1.00 0.00 H new ATOM 0 HB3 LEU A 163 5.835 -15.155 12.406 1.00 0.00 H new ATOM 0 HG LEU A 163 5.616 -12.482 11.104 1.00 0.00 H new ATOM 0 HD11 LEU A 163 5.366 -13.494 8.872 1.00 0.00 H new ATOM 0 HD12 LEU A 163 7.018 -13.690 9.506 1.00 0.00 H new ATOM 0 HD13 LEU A 163 5.886 -15.063 9.530 1.00 0.00 H new ATOM 0 HD21 LEU A 163 3.440 -13.414 10.409 1.00 0.00 H new ATOM 0 HD22 LEU A 163 3.886 -14.980 11.129 1.00 0.00 H new ATOM 0 HD23 LEU A 163 3.683 -13.548 12.166 1.00 0.00 H new ATOM 2644 N GLU A 164 6.843 -15.116 15.020 1.00 0.00 N ATOM 2645 CA GLU A 164 7.561 -15.924 16.000 1.00 0.00 C ATOM 2646 C GLU A 164 7.577 -17.392 15.588 1.00 0.00 C ATOM 2647 O GLU A 164 6.528 -17.988 15.335 1.00 0.00 O ATOM 2648 CB GLU A 164 6.918 -15.775 17.382 1.00 0.00 C ATOM 2649 CG GLU A 164 7.550 -14.686 18.232 1.00 0.00 C ATOM 2650 CD GLU A 164 6.525 -13.894 19.021 1.00 0.00 C ATOM 2651 OE1 GLU A 164 5.401 -14.403 19.211 1.00 0.00 O ATOM 2652 OE2 GLU A 164 6.848 -12.765 19.447 1.00 0.00 O ATOM 0 H GLU A 164 5.859 -15.361 14.910 1.00 0.00 H new ATOM 0 HA GLU A 164 8.590 -15.568 16.045 1.00 0.00 H new ATOM 0 HB2 GLU A 164 5.857 -15.558 17.258 1.00 0.00 H new ATOM 0 HB3 GLU A 164 6.990 -16.725 17.911 1.00 0.00 H new ATOM 0 HG2 GLU A 164 8.264 -15.137 18.921 1.00 0.00 H new ATOM 0 HG3 GLU A 164 8.111 -14.008 17.589 1.00 0.00 H new ATOM 2660 N HIS A 165 8.771 -17.971 15.523 1.00 0.00 N ATOM 2661 CA HIS A 165 8.923 -19.369 15.143 1.00 0.00 C ATOM 2662 C HIS A 165 9.139 -20.248 16.371 1.00 0.00 C ATOM 2663 O HIS A 165 9.812 -21.275 16.301 1.00 0.00 O ATOM 2664 CB HIS A 165 10.096 -19.532 14.174 1.00 0.00 C ATOM 2665 CG HIS A 165 10.015 -18.633 12.979 1.00 0.00 C ATOM 2666 ND1 HIS A 165 9.958 -17.258 13.074 1.00 0.00 N ATOM 2667 CD2 HIS A 165 9.982 -18.918 11.656 1.00 0.00 C ATOM 2668 CE1 HIS A 165 9.893 -16.738 11.862 1.00 0.00 C ATOM 2669 NE2 HIS A 165 9.906 -17.723 10.984 1.00 0.00 N ATOM 0 H HIS A 165 9.648 -17.493 15.729 1.00 0.00 H new ATOM 0 HA HIS A 165 8.005 -19.686 14.649 1.00 0.00 H new ATOM 0 HB2 HIS A 165 11.026 -19.333 14.706 1.00 0.00 H new ATOM 0 HB3 HIS A 165 10.137 -20.568 13.837 1.00 0.00 H new ATOM 0 HD2 HIS A 165 10.010 -19.902 11.212 1.00 0.00 H new ATOM 0 HE1 HIS A 165 9.838 -15.685 11.629 1.00 0.00 H new ATOM 0 HE2 HIS A 165 9.866 -17.614 9.971 1.00 0.00 H new ATOM 2678 N HIS A 166 8.562 -19.837 17.496 1.00 0.00 N ATOM 2679 CA HIS A 166 8.691 -20.586 18.740 1.00 0.00 C ATOM 2680 C HIS A 166 10.155 -20.707 19.153 1.00 0.00 C ATOM 2681 O HIS A 166 10.927 -21.435 18.529 1.00 0.00 O ATOM 2682 CB HIS A 166 8.074 -21.978 18.587 1.00 0.00 C ATOM 2683 CG HIS A 166 6.660 -22.062 19.072 1.00 0.00 C ATOM 2684 ND1 HIS A 166 5.570 -21.842 18.257 1.00 0.00 N ATOM 2685 CD2 HIS A 166 6.159 -22.344 20.299 1.00 0.00 C ATOM 2686 CE1 HIS A 166 4.461 -21.985 18.961 1.00 0.00 C ATOM 2687 NE2 HIS A 166 4.791 -22.290 20.202 1.00 0.00 N ATOM 0 H HIS A 166 8.000 -18.989 17.571 1.00 0.00 H new ATOM 0 HA HIS A 166 8.157 -20.043 19.520 1.00 0.00 H new ATOM 0 HB2 HIS A 166 8.107 -22.268 17.537 1.00 0.00 H new ATOM 0 HB3 HIS A 166 8.681 -22.698 19.136 1.00 0.00 H new ATOM 0 HD2 HIS A 166 6.730 -22.569 21.188 1.00 0.00 H new ATOM 0 HE1 HIS A 166 3.455 -21.872 18.585 1.00 0.00 H new ATOM 0 HE2 HIS A 166 4.136 -22.458 20.965 1.00 0.00 H new ATOM 2696 N HIS A 167 10.529 -19.989 20.206 1.00 0.00 N ATOM 2697 CA HIS A 167 11.900 -20.015 20.702 1.00 0.00 C ATOM 2698 C HIS A 167 11.959 -19.587 22.165 1.00 0.00 C ATOM 2699 O HIS A 167 12.494 -20.304 23.011 1.00 0.00 O ATOM 2700 CB HIS A 167 12.789 -19.103 19.852 1.00 0.00 C ATOM 2701 CG HIS A 167 13.725 -19.849 18.953 1.00 0.00 C ATOM 2702 ND1 HIS A 167 13.508 -20.486 17.778 1.00 0.00 N flip ATOM 2703 CD2 HIS A 167 15.068 -20.006 19.228 1.00 0.00 C flip ATOM 2704 CE1 HIS A 167 14.709 -21.009 17.369 1.00 0.00 C flip ATOM 2705 NE2 HIS A 167 15.635 -20.705 18.260 1.00 0.00 N flip ATOM 0 H HIS A 167 9.902 -19.381 20.733 1.00 0.00 H new ATOM 0 HA HIS A 167 12.267 -21.039 20.629 1.00 0.00 H new ATOM 0 HB2 HIS A 167 12.156 -18.454 19.246 1.00 0.00 H new ATOM 0 HB3 HIS A 167 13.369 -18.457 20.511 1.00 0.00 H new ATOM 0 HD1 HIS A 167 12.617 -20.563 17.288 1.00 0.00 H new ATOM 0 HD2 HIS A 167 15.577 -19.618 20.098 1.00 0.00 H new ATOM 0 HE1 HIS A 167 14.871 -21.577 16.465 1.00 0.00 H new ATOM 2714 N HIS A 168 11.405 -18.414 22.456 1.00 0.00 N ATOM 2715 CA HIS A 168 11.394 -17.891 23.816 1.00 0.00 C ATOM 2716 C HIS A 168 10.170 -18.386 24.581 1.00 0.00 C ATOM 2717 O HIS A 168 9.068 -18.444 24.037 1.00 0.00 O ATOM 2718 CB HIS A 168 11.414 -16.362 23.797 1.00 0.00 C ATOM 2719 CG HIS A 168 12.645 -15.788 23.167 1.00 0.00 C ATOM 2720 ND1 HIS A 168 13.753 -15.403 23.893 1.00 0.00 N ATOM 2721 CD2 HIS A 168 12.942 -15.535 21.870 1.00 0.00 C ATOM 2722 CE1 HIS A 168 14.676 -14.937 23.070 1.00 0.00 C ATOM 2723 NE2 HIS A 168 14.208 -15.007 21.837 1.00 0.00 N ATOM 0 H HIS A 168 10.958 -17.808 21.768 1.00 0.00 H new ATOM 0 HA HIS A 168 12.288 -18.253 24.324 1.00 0.00 H new ATOM 0 HB2 HIS A 168 10.538 -16.002 23.258 1.00 0.00 H new ATOM 0 HB3 HIS A 168 11.333 -15.993 24.819 1.00 0.00 H new ATOM 0 HD2 HIS A 168 12.301 -15.715 21.020 1.00 0.00 H new ATOM 0 HE1 HIS A 168 15.648 -14.563 23.357 1.00 0.00 H new ATOM 0 HE2 HIS A 168 14.707 -14.716 20.996 1.00 0.00 H new ATOM 2732 N HIS A 169 10.372 -18.740 25.846 1.00 0.00 N ATOM 2733 CA HIS A 169 9.286 -19.229 26.686 1.00 0.00 C ATOM 2734 C HIS A 169 9.489 -18.805 28.138 1.00 0.00 C ATOM 2735 O HIS A 169 9.166 -19.551 29.062 1.00 0.00 O ATOM 2736 CB HIS A 169 9.188 -20.753 26.594 1.00 0.00 C ATOM 2737 CG HIS A 169 7.782 -21.258 26.508 1.00 0.00 C ATOM 2738 ND1 HIS A 169 6.691 -20.525 26.926 1.00 0.00 N ATOM 2739 CD2 HIS A 169 7.289 -22.433 26.049 1.00 0.00 C ATOM 2740 CE1 HIS A 169 5.589 -21.226 26.728 1.00 0.00 C ATOM 2741 NE2 HIS A 169 5.924 -22.386 26.197 1.00 0.00 N ATOM 0 H HIS A 169 11.278 -18.697 26.312 1.00 0.00 H new ATOM 0 HA HIS A 169 8.355 -18.791 26.326 1.00 0.00 H new ATOM 0 HB2 HIS A 169 9.741 -21.092 25.718 1.00 0.00 H new ATOM 0 HB3 HIS A 169 9.671 -21.193 27.466 1.00 0.00 H new ATOM 0 HD2 HIS A 169 7.862 -23.253 25.643 1.00 0.00 H new ATOM 0 HE1 HIS A 169 4.585 -20.904 26.961 1.00 0.00 H new ATOM 0 HE2 HIS A 169 5.274 -23.128 25.938 1.00 0.00 H new ATOM 2750 N HIS A 170 10.025 -17.605 28.330 1.00 0.00 N ATOM 2751 CA HIS A 170 10.271 -17.082 29.668 1.00 0.00 C ATOM 2752 C HIS A 170 8.994 -16.501 30.267 1.00 0.00 C ATOM 2753 O HIS A 170 8.625 -15.370 29.889 1.00 0.00 O ATOM 2754 CB HIS A 170 11.364 -16.012 29.627 1.00 0.00 C ATOM 2755 CG HIS A 170 12.730 -16.540 29.938 1.00 0.00 C ATOM 2756 ND1 HIS A 170 13.677 -15.816 30.630 1.00 0.00 N ATOM 2757 CD2 HIS A 170 13.307 -17.730 29.647 1.00 0.00 C ATOM 2758 CE1 HIS A 170 14.778 -16.537 30.751 1.00 0.00 C ATOM 2759 NE2 HIS A 170 14.580 -17.702 30.164 1.00 0.00 N ATOM 2760 OXT HIS A 170 8.373 -17.183 31.110 1.00 0.00 O ATOM 0 H HIS A 170 10.298 -16.976 27.575 1.00 0.00 H new ATOM 0 HA HIS A 170 10.604 -17.906 30.299 1.00 0.00 H new ATOM 0 HB2 HIS A 170 11.377 -15.555 28.638 1.00 0.00 H new ATOM 0 HB3 HIS A 170 11.117 -15.224 30.339 1.00 0.00 H new ATOM 0 HD2 HIS A 170 12.852 -18.548 29.109 1.00 0.00 H new ATOM 0 HE1 HIS A 170 15.686 -16.225 31.246 1.00 0.00 H new ATOM 0 HE2 HIS A 170 15.261 -18.459 30.104 1.00 0.00 H new TER 2769 HIS A 170