USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1286 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: B 20 ASN : amide:sc= 0.719 K(o=1.4,f=-1.7) USER MOD Set 1.2: B 72 HIS : no HD1:sc= 0.65 K(o=1.4,f=-6.2!) USER MOD Set 2.1: A 58 SER OG : rot -150:sc= 0.441 USER MOD Set 2.2: A 67 LYS NZ :NH3+ 150:sc= 0.477 (180deg=0) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0504 (180deg=-0.37) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.00307) USER MOD Single : A 2 LYS NZ :NH3+ -157:sc= 0.22 (180deg=-0.476) USER MOD Single : A 3 MET CE :methyl -160:sc= -0.12 (180deg=-0.577) USER MOD Single : A 5 LYS NZ :NH3+ -133:sc= 1.13 (180deg=-0.00933) USER MOD Single : A 7 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00565) USER MOD Single : A 14 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.88) USER MOD Single : A 20 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.3!) USER MOD Single : A 22 THR OG1 : rot -53:sc= 1.29 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.381 K(o=-0.38,f=-4.1!) USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.25) USER MOD Single : A 32 LYS NZ :NH3+ 144:sc= -0.912 (180deg=-2.46!) USER MOD Single : A 34 THR OG1 : rot -71:sc= 0.0692 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= -0.0287 (180deg=-0.204) USER MOD Single : A 40 LYS NZ :NH3+ 150:sc= 0.417 (180deg=0.19) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 19:sc= -0.413 USER MOD Single : A 72 HIS : no HD1:sc= -0.0257 X(o=-0.026,f=-0.52) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HE2:sc= 0.484 K(o=0.48,f=-1.6!) USER MOD Single : A 76 HIS : no HE2:sc= 0.011 K(o=0.011,f=-0.66) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 1 MET CE :methyl -171:sc=-0.00519 (180deg=-0.145) USER MOD Single : B 1 MET N :NH3+ -170:sc= 0 (180deg=-0.129) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 MET CE :methyl 171:sc= -0.0137 (180deg=-0.129) USER MOD Single : B 5 LYS NZ :NH3+ -175:sc= 0.456 (180deg=0.384) USER MOD Single : B 7 LYS NZ :NH3+ -153:sc= -0.578 (180deg=-2.54!) USER MOD Single : B 14 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.48) USER MOD Single : B 22 THR OG1 : rot -24:sc= 0.871 USER MOD Single : B 26 THR OG1 : rot 180:sc= -0.0921 USER MOD Single : B 27 GLN : amide:sc= 0.419 K(o=0.42,f=-0.26) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 GLN : amide:sc= 0.407 K(o=0.41,f=-3.9!) USER MOD Single : B 31 LYS NZ :NH3+ 156:sc= 1.6 (180deg=0.83) USER MOD Single : B 32 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00271) USER MOD Single : B 34 THR OG1 : rot -76:sc= 0.718 USER MOD Single : B 35 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0113) USER MOD Single : B 37 LYS NZ :NH3+ 167:sc= -0.0436 (180deg=-0.22) USER MOD Single : B 40 LYS NZ :NH3+ -157:sc= 0.786 (180deg=0.342) USER MOD Single : B 54 LYS NZ :NH3+ 168:sc= 0.244 (180deg=-0.0324) USER MOD Single : B 57 THR OG1 : rot 180:sc= -0.586 USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ -176:sc= 0.457 (180deg=0.431) USER MOD Single : B 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 74 HIS : no HD1:sc=-0.00634 X(o=-0.0063,f=0) USER MOD Single : B 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.290 17.494 4.428 1.00 21.35 N ATOM 2 CA MET A 1 10.576 16.045 4.585 1.00 1.43 C ATOM 3 C MET A 1 9.295 15.240 4.884 1.00 44.12 C ATOM 4 O MET A 1 9.138 14.134 4.365 1.00 43.33 O ATOM 5 CB MET A 1 11.641 15.823 5.685 1.00 42.24 C ATOM 6 CG MET A 1 12.047 14.355 5.902 1.00 45.42 C ATOM 7 SD MET A 1 13.336 14.155 7.151 1.00 31.03 S ATOM 8 CE MET A 1 14.735 14.962 6.365 1.00 53.24 C ATOM 0 H1 MET A 1 11.172 18.000 4.211 1.00 21.35 H new ATOM 0 H2 MET A 1 9.612 17.632 3.652 1.00 21.35 H new ATOM 0 H3 MET A 1 9.886 17.866 5.311 1.00 21.35 H new ATOM 0 HA MET A 1 10.973 15.678 3.638 1.00 1.43 H new ATOM 0 HB2 MET A 1 12.531 16.398 5.430 1.00 42.24 H new ATOM 0 HB3 MET A 1 11.261 16.223 6.625 1.00 42.24 H new ATOM 0 HG2 MET A 1 11.169 13.781 6.199 1.00 45.42 H new ATOM 0 HG3 MET A 1 12.396 13.937 4.958 1.00 45.42 H new ATOM 0 HE1 MET A 1 15.656 14.661 6.864 1.00 53.24 H new ATOM 0 HE2 MET A 1 14.780 14.672 5.315 1.00 53.24 H new ATOM 0 HE3 MET A 1 14.619 16.043 6.438 1.00 53.24 H new ATOM 20 N LYS A 2 8.390 15.791 5.723 1.00 24.11 N ATOM 21 CA LYS A 2 7.098 15.135 6.058 1.00 0.23 C ATOM 22 C LYS A 2 6.207 14.933 4.791 1.00 50.34 C ATOM 23 O LYS A 2 5.492 15.842 4.361 1.00 34.33 O ATOM 24 CB LYS A 2 6.329 15.930 7.169 1.00 62.02 C ATOM 25 CG LYS A 2 6.611 15.520 8.649 1.00 24.32 C ATOM 26 CD LYS A 2 8.002 15.930 9.214 1.00 52.21 C ATOM 27 CE LYS A 2 9.125 14.913 8.923 1.00 55.31 C ATOM 28 NZ LYS A 2 8.833 13.570 9.497 1.00 4.41 N ATOM 0 H LYS A 2 8.527 16.691 6.184 1.00 24.11 H new ATOM 0 HA LYS A 2 7.330 14.146 6.454 1.00 0.23 H new ATOM 0 HB2 LYS A 2 6.568 16.988 7.058 1.00 62.02 H new ATOM 0 HB3 LYS A 2 5.260 15.824 6.985 1.00 62.02 H new ATOM 0 HG2 LYS A 2 5.840 15.960 9.281 1.00 24.32 H new ATOM 0 HG3 LYS A 2 6.512 14.438 8.731 1.00 24.32 H new ATOM 0 HD2 LYS A 2 8.283 16.895 8.793 1.00 52.21 H new ATOM 0 HD3 LYS A 2 7.919 16.064 10.292 1.00 52.21 H new ATOM 0 HE2 LYS A 2 9.261 14.823 7.845 1.00 55.31 H new ATOM 0 HE3 LYS A 2 10.064 15.285 9.333 1.00 55.31 H new ATOM 0 HZ1 LYS A 2 9.723 13.048 9.630 1.00 4.41 H new ATOM 0 HZ2 LYS A 2 8.356 13.681 10.415 1.00 4.41 H new ATOM 0 HZ3 LYS A 2 8.216 13.042 8.848 1.00 4.41 H new ATOM 42 N MET A 3 6.302 13.722 4.197 1.00 11.02 N ATOM 43 CA MET A 3 5.563 13.322 2.964 1.00 34.15 C ATOM 44 C MET A 3 4.942 11.915 3.138 1.00 33.34 C ATOM 45 O MET A 3 5.337 11.175 4.041 1.00 24.32 O ATOM 46 CB MET A 3 6.521 13.311 1.739 1.00 53.22 C ATOM 47 CG MET A 3 7.135 14.674 1.384 1.00 44.31 C ATOM 48 SD MET A 3 8.376 14.568 0.072 1.00 5.41 S ATOM 49 CE MET A 3 9.652 13.567 0.847 1.00 1.14 C ATOM 0 H MET A 3 6.901 12.980 4.561 1.00 11.02 H new ATOM 0 HA MET A 3 4.768 14.048 2.795 1.00 34.15 H new ATOM 0 HB2 MET A 3 7.328 12.605 1.934 1.00 53.22 H new ATOM 0 HB3 MET A 3 5.975 12.939 0.873 1.00 53.22 H new ATOM 0 HG2 MET A 3 6.342 15.354 1.073 1.00 44.31 H new ATOM 0 HG3 MET A 3 7.592 15.104 2.275 1.00 44.31 H new ATOM 0 HE1 MET A 3 10.596 13.712 0.322 1.00 1.14 H new ATOM 0 HE2 MET A 3 9.766 13.866 1.889 1.00 1.14 H new ATOM 0 HE3 MET A 3 9.368 12.516 0.800 1.00 1.14 H new ATOM 59 N LEU A 4 3.992 11.538 2.248 1.00 40.41 N ATOM 60 CA LEU A 4 3.400 10.162 2.231 1.00 55.51 C ATOM 61 C LEU A 4 4.496 9.078 2.010 1.00 41.25 C ATOM 62 O LEU A 4 4.381 7.957 2.506 1.00 34.14 O ATOM 63 CB LEU A 4 2.289 10.015 1.150 1.00 43.01 C ATOM 64 CG LEU A 4 0.938 10.768 1.398 1.00 54.10 C ATOM 65 CD1 LEU A 4 1.092 12.299 1.288 1.00 12.41 C ATOM 66 CD2 LEU A 4 -0.167 10.249 0.440 1.00 45.13 C ATOM 0 H LEU A 4 3.615 12.159 1.532 1.00 40.41 H new ATOM 0 HA LEU A 4 2.943 10.010 3.209 1.00 55.51 H new ATOM 0 HB2 LEU A 4 2.697 10.359 0.199 1.00 43.01 H new ATOM 0 HB3 LEU A 4 2.067 8.954 1.037 1.00 43.01 H new ATOM 0 HG LEU A 4 0.635 10.553 2.423 1.00 54.10 H new ATOM 0 HD11 LEU A 4 0.128 12.775 1.468 1.00 12.41 H new ATOM 0 HD12 LEU A 4 1.812 12.646 2.029 1.00 12.41 H new ATOM 0 HD13 LEU A 4 1.444 12.558 0.290 1.00 12.41 H new ATOM 0 HD21 LEU A 4 -1.096 10.787 0.631 1.00 45.13 H new ATOM 0 HD22 LEU A 4 0.141 10.412 -0.593 1.00 45.13 H new ATOM 0 HD23 LEU A 4 -0.323 9.183 0.608 1.00 45.13 H new ATOM 78 N LYS A 5 5.548 9.452 1.260 1.00 51.11 N ATOM 79 CA LYS A 5 6.778 8.645 1.073 1.00 23.34 C ATOM 80 C LYS A 5 7.505 8.375 2.424 1.00 44.11 C ATOM 81 O LYS A 5 7.838 7.233 2.754 1.00 3.40 O ATOM 82 CB LYS A 5 7.716 9.424 0.107 1.00 53.22 C ATOM 83 CG LYS A 5 9.141 8.848 -0.076 1.00 50.30 C ATOM 84 CD LYS A 5 9.191 7.453 -0.750 1.00 62.41 C ATOM 85 CE LYS A 5 10.628 6.900 -0.786 1.00 44.14 C ATOM 86 NZ LYS A 5 10.733 5.622 -1.523 1.00 50.15 N ATOM 0 H LYS A 5 5.573 10.338 0.756 1.00 51.11 H new ATOM 0 HA LYS A 5 6.510 7.673 0.658 1.00 23.34 H new ATOM 0 HB2 LYS A 5 7.237 9.471 -0.871 1.00 53.22 H new ATOM 0 HB3 LYS A 5 7.805 10.449 0.468 1.00 53.22 H new ATOM 0 HG2 LYS A 5 9.727 9.547 -0.673 1.00 50.30 H new ATOM 0 HG3 LYS A 5 9.621 8.783 0.901 1.00 50.30 H new ATOM 0 HD2 LYS A 5 8.546 6.761 -0.208 1.00 62.41 H new ATOM 0 HD3 LYS A 5 8.800 7.523 -1.765 1.00 62.41 H new ATOM 0 HE2 LYS A 5 11.284 7.636 -1.250 1.00 44.14 H new ATOM 0 HE3 LYS A 5 10.982 6.756 0.235 1.00 44.14 H new ATOM 0 HZ1 LYS A 5 11.291 4.944 -0.965 1.00 50.15 H new ATOM 0 HZ2 LYS A 5 9.781 5.236 -1.686 1.00 50.15 H new ATOM 0 HZ3 LYS A 5 11.201 5.786 -2.437 1.00 50.15 H new ATOM 100 N GLU A 6 7.720 9.457 3.188 1.00 12.44 N ATOM 101 CA GLU A 6 8.561 9.456 4.405 1.00 4.33 C ATOM 102 C GLU A 6 7.862 8.757 5.596 1.00 31.21 C ATOM 103 O GLU A 6 8.453 7.873 6.238 1.00 23.54 O ATOM 104 CB GLU A 6 8.963 10.926 4.720 1.00 23.54 C ATOM 105 CG GLU A 6 9.827 11.169 5.993 1.00 33.53 C ATOM 106 CD GLU A 6 9.019 11.363 7.293 1.00 22.33 C ATOM 107 OE1 GLU A 6 7.950 12.011 7.245 1.00 10.54 O ATOM 108 OE2 GLU A 6 9.473 10.927 8.369 1.00 73.31 O ATOM 0 H GLU A 6 7.313 10.369 2.980 1.00 12.44 H new ATOM 0 HA GLU A 6 9.464 8.871 4.228 1.00 4.33 H new ATOM 0 HB2 GLU A 6 9.508 11.319 3.862 1.00 23.54 H new ATOM 0 HB3 GLU A 6 8.050 11.514 4.814 1.00 23.54 H new ATOM 0 HG2 GLU A 6 10.503 10.324 6.124 1.00 33.53 H new ATOM 0 HG3 GLU A 6 10.447 12.051 5.832 1.00 33.53 H new ATOM 115 N LYS A 7 6.604 9.155 5.882 1.00 24.42 N ATOM 116 CA LYS A 7 5.797 8.528 6.960 1.00 41.34 C ATOM 117 C LYS A 7 5.594 7.019 6.735 1.00 21.14 C ATOM 118 O LYS A 7 5.510 6.273 7.692 1.00 61.54 O ATOM 119 CB LYS A 7 4.412 9.189 7.099 1.00 11.31 C ATOM 120 CG LYS A 7 3.548 9.130 5.823 1.00 0.42 C ATOM 121 CD LYS A 7 2.058 9.397 6.085 1.00 64.24 C ATOM 122 CE LYS A 7 1.787 10.746 6.790 1.00 21.13 C ATOM 123 NZ LYS A 7 2.349 11.911 6.056 1.00 22.33 N ATOM 0 H LYS A 7 6.123 9.905 5.385 1.00 24.42 H new ATOM 0 HA LYS A 7 6.368 8.680 7.876 1.00 41.34 H new ATOM 0 HB2 LYS A 7 3.871 8.704 7.912 1.00 11.31 H new ATOM 0 HB3 LYS A 7 4.548 10.232 7.384 1.00 11.31 H new ATOM 0 HG2 LYS A 7 3.921 9.862 5.106 1.00 0.42 H new ATOM 0 HG3 LYS A 7 3.659 8.148 5.363 1.00 0.42 H new ATOM 0 HD2 LYS A 7 1.521 9.378 5.136 1.00 64.24 H new ATOM 0 HD3 LYS A 7 1.654 8.589 6.696 1.00 64.24 H new ATOM 0 HE2 LYS A 7 0.711 10.880 6.903 1.00 21.13 H new ATOM 0 HE3 LYS A 7 2.212 10.717 7.793 1.00 21.13 H new ATOM 0 HZ1 LYS A 7 2.106 12.788 6.559 1.00 22.33 H new ATOM 0 HZ2 LYS A 7 3.383 11.819 5.999 1.00 22.33 H new ATOM 0 HZ3 LYS A 7 1.951 11.941 5.096 1.00 22.33 H new ATOM 137 N ALA A 8 5.510 6.585 5.455 1.00 4.05 N ATOM 138 CA ALA A 8 5.355 5.154 5.093 1.00 24.23 C ATOM 139 C ALA A 8 6.496 4.291 5.688 1.00 32.14 C ATOM 140 O ALA A 8 6.279 3.142 6.075 1.00 64.14 O ATOM 141 CB ALA A 8 5.292 5.011 3.568 1.00 42.11 C ATOM 0 H ALA A 8 5.547 7.210 4.650 1.00 4.05 H new ATOM 0 HA ALA A 8 4.422 4.788 5.521 1.00 24.23 H new ATOM 0 HB1 ALA A 8 5.178 3.959 3.306 1.00 42.11 H new ATOM 0 HB2 ALA A 8 4.442 5.575 3.185 1.00 42.11 H new ATOM 0 HB3 ALA A 8 6.211 5.397 3.128 1.00 42.11 H new ATOM 147 N GLY A 9 7.695 4.897 5.790 1.00 2.13 N ATOM 148 CA GLY A 9 8.860 4.257 6.424 1.00 25.02 C ATOM 149 C GLY A 9 8.773 4.197 7.956 1.00 11.11 C ATOM 150 O GLY A 9 9.199 3.212 8.571 1.00 34.34 O ATOM 0 H GLY A 9 7.881 5.836 5.438 1.00 2.13 H new ATOM 0 HA2 GLY A 9 8.964 3.244 6.035 1.00 25.02 H new ATOM 0 HA3 GLY A 9 9.761 4.801 6.141 1.00 25.02 H new ATOM 154 N ALA A 10 8.235 5.269 8.569 1.00 23.31 N ATOM 155 CA ALA A 10 8.036 5.350 10.041 1.00 64.42 C ATOM 156 C ALA A 10 6.956 4.348 10.523 1.00 74.21 C ATOM 157 O ALA A 10 7.172 3.574 11.469 1.00 0.34 O ATOM 158 CB ALA A 10 7.652 6.786 10.438 1.00 34.11 C ATOM 0 H ALA A 10 7.926 6.102 8.067 1.00 23.31 H new ATOM 0 HA ALA A 10 8.974 5.082 10.527 1.00 64.42 H new ATOM 0 HB1 ALA A 10 7.508 6.839 11.517 1.00 34.11 H new ATOM 0 HB2 ALA A 10 8.448 7.470 10.144 1.00 34.11 H new ATOM 0 HB3 ALA A 10 6.728 7.068 9.934 1.00 34.11 H new ATOM 164 N LEU A 11 5.798 4.380 9.836 1.00 53.12 N ATOM 165 CA LEU A 11 4.677 3.442 10.050 1.00 13.35 C ATOM 166 C LEU A 11 5.128 1.981 9.835 1.00 21.41 C ATOM 167 O LEU A 11 4.729 1.094 10.580 1.00 74.14 O ATOM 168 CB LEU A 11 3.505 3.790 9.091 1.00 13.22 C ATOM 169 CG LEU A 11 2.907 5.230 9.235 1.00 61.14 C ATOM 170 CD1 LEU A 11 1.882 5.534 8.119 1.00 61.54 C ATOM 171 CD2 LEU A 11 2.300 5.448 10.640 1.00 72.32 C ATOM 0 H LEU A 11 5.611 5.068 9.106 1.00 53.12 H new ATOM 0 HA LEU A 11 4.338 3.542 11.081 1.00 13.35 H new ATOM 0 HB2 LEU A 11 3.851 3.662 8.065 1.00 13.22 H new ATOM 0 HB3 LEU A 11 2.704 3.068 9.250 1.00 13.22 H new ATOM 0 HG LEU A 11 3.727 5.938 9.120 1.00 61.14 H new ATOM 0 HD11 LEU A 11 1.488 6.542 8.251 1.00 61.54 H new ATOM 0 HD12 LEU A 11 2.370 5.460 7.147 1.00 61.54 H new ATOM 0 HD13 LEU A 11 1.064 4.815 8.170 1.00 61.54 H new ATOM 0 HD21 LEU A 11 1.893 6.457 10.708 1.00 72.32 H new ATOM 0 HD22 LEU A 11 1.503 4.723 10.809 1.00 72.32 H new ATOM 0 HD23 LEU A 11 3.075 5.317 11.395 1.00 72.32 H new ATOM 183 N ALA A 12 5.989 1.762 8.822 1.00 21.12 N ATOM 184 CA ALA A 12 6.566 0.431 8.523 1.00 42.01 C ATOM 185 C ALA A 12 7.324 -0.173 9.720 1.00 21.50 C ATOM 186 O ALA A 12 7.154 -1.357 10.041 1.00 40.42 O ATOM 187 CB ALA A 12 7.511 0.511 7.322 1.00 33.34 C ATOM 0 H ALA A 12 6.305 2.497 8.189 1.00 21.12 H new ATOM 0 HA ALA A 12 5.724 -0.223 8.296 1.00 42.01 H new ATOM 0 HB1 ALA A 12 7.925 -0.477 7.118 1.00 33.34 H new ATOM 0 HB2 ALA A 12 6.961 0.861 6.449 1.00 33.34 H new ATOM 0 HB3 ALA A 12 8.322 1.205 7.543 1.00 33.34 H new ATOM 193 N GLY A 13 8.164 0.661 10.358 1.00 43.41 N ATOM 194 CA GLY A 13 8.980 0.235 11.497 1.00 71.04 C ATOM 195 C GLY A 13 8.161 -0.298 12.671 1.00 33.41 C ATOM 196 O GLY A 13 8.378 -1.423 13.123 1.00 31.24 O ATOM 0 H GLY A 13 8.292 1.639 10.098 1.00 43.41 H new ATOM 0 HA2 GLY A 13 9.673 -0.539 11.167 1.00 71.04 H new ATOM 0 HA3 GLY A 13 9.582 1.078 11.838 1.00 71.04 H new ATOM 200 N GLN A 14 7.180 0.501 13.121 1.00 55.12 N ATOM 201 CA GLN A 14 6.311 0.146 14.271 1.00 44.20 C ATOM 202 C GLN A 14 5.356 -1.042 13.963 1.00 74.14 C ATOM 203 O GLN A 14 5.046 -1.828 14.865 1.00 30.24 O ATOM 204 CB GLN A 14 5.515 1.391 14.741 1.00 34.31 C ATOM 205 CG GLN A 14 4.643 2.041 13.651 1.00 11.23 C ATOM 206 CD GLN A 14 3.917 3.304 14.104 1.00 50.52 C ATOM 207 OE1 GLN A 14 4.378 4.026 14.983 1.00 50.31 O ATOM 208 NE2 GLN A 14 2.797 3.602 13.483 1.00 32.04 N ATOM 0 H GLN A 14 6.962 1.407 12.706 1.00 55.12 H new ATOM 0 HA GLN A 14 6.964 -0.189 15.077 1.00 44.20 H new ATOM 0 HB2 GLN A 14 4.876 1.104 15.576 1.00 34.31 H new ATOM 0 HB3 GLN A 14 6.217 2.135 15.118 1.00 34.31 H new ATOM 0 HG2 GLN A 14 5.272 2.284 12.795 1.00 11.23 H new ATOM 0 HG3 GLN A 14 3.906 1.314 13.309 1.00 11.23 H new ATOM 0 HE21 GLN A 14 2.437 2.984 12.756 1.00 32.04 H new ATOM 0 HE22 GLN A 14 2.288 4.452 13.728 1.00 32.04 H new ATOM 217 N ILE A 15 4.891 -1.165 12.695 1.00 63.41 N ATOM 218 CA ILE A 15 4.046 -2.309 12.261 1.00 10.32 C ATOM 219 C ILE A 15 4.847 -3.632 12.287 1.00 10.32 C ATOM 220 O ILE A 15 4.395 -4.618 12.872 1.00 50.34 O ATOM 221 CB ILE A 15 3.409 -2.067 10.835 1.00 54.20 C ATOM 222 CG1 ILE A 15 2.379 -0.892 10.882 1.00 52.31 C ATOM 223 CG2 ILE A 15 2.736 -3.350 10.273 1.00 55.22 C ATOM 224 CD1 ILE A 15 1.799 -0.504 9.528 1.00 13.30 C ATOM 0 H ILE A 15 5.085 -0.489 11.956 1.00 63.41 H new ATOM 0 HA ILE A 15 3.226 -2.390 12.974 1.00 10.32 H new ATOM 0 HB ILE A 15 4.223 -1.799 10.161 1.00 54.20 H new ATOM 0 HG12 ILE A 15 1.561 -1.169 11.547 1.00 52.31 H new ATOM 0 HG13 ILE A 15 2.863 -0.019 11.319 1.00 52.31 H new ATOM 0 HG21 ILE A 15 2.311 -3.138 9.292 1.00 55.22 H new ATOM 0 HG22 ILE A 15 3.480 -4.142 10.183 1.00 55.22 H new ATOM 0 HG23 ILE A 15 1.944 -3.671 10.949 1.00 55.22 H new ATOM 0 HD11 ILE A 15 1.095 0.318 9.656 1.00 13.30 H new ATOM 0 HD12 ILE A 15 2.604 -0.192 8.863 1.00 13.30 H new ATOM 0 HD13 ILE A 15 1.282 -1.360 9.095 1.00 13.30 H new ATOM 236 N TRP A 16 6.047 -3.625 11.678 1.00 3.44 N ATOM 237 CA TRP A 16 6.935 -4.812 11.626 1.00 12.30 C ATOM 238 C TRP A 16 7.359 -5.273 13.043 1.00 51.40 C ATOM 239 O TRP A 16 7.368 -6.469 13.339 1.00 34.22 O ATOM 240 CB TRP A 16 8.189 -4.518 10.760 1.00 75.33 C ATOM 241 CG TRP A 16 9.051 -5.739 10.514 1.00 34.54 C ATOM 242 CD1 TRP A 16 8.919 -6.637 9.496 1.00 45.42 C ATOM 243 CD2 TRP A 16 10.158 -6.204 11.309 1.00 3.41 C ATOM 244 NE1 TRP A 16 9.860 -7.629 9.611 1.00 73.41 N ATOM 245 CE2 TRP A 16 10.634 -7.383 10.713 1.00 10.52 C ATOM 246 CE3 TRP A 16 10.789 -5.732 12.466 1.00 11.45 C ATOM 247 CZ2 TRP A 16 11.707 -8.102 11.238 1.00 42.33 C ATOM 248 CZ3 TRP A 16 11.849 -6.443 12.986 1.00 14.11 C ATOM 249 CH2 TRP A 16 12.304 -7.614 12.371 1.00 62.32 C ATOM 0 H TRP A 16 6.431 -2.804 11.209 1.00 3.44 H new ATOM 0 HA TRP A 16 6.369 -5.623 11.167 1.00 12.30 H new ATOM 0 HB2 TRP A 16 7.871 -4.108 9.801 1.00 75.33 H new ATOM 0 HB3 TRP A 16 8.789 -3.752 11.251 1.00 75.33 H new ATOM 0 HD1 TRP A 16 8.179 -6.576 8.711 1.00 45.42 H new ATOM 0 HE1 TRP A 16 9.966 -8.422 8.978 1.00 73.41 H new ATOM 0 HE3 TRP A 16 10.450 -4.825 12.944 1.00 11.45 H new ATOM 0 HZ2 TRP A 16 12.055 -9.010 10.769 1.00 42.33 H new ATOM 0 HZ3 TRP A 16 12.336 -6.090 13.883 1.00 14.11 H new ATOM 0 HH2 TRP A 16 13.143 -8.144 12.798 1.00 62.32 H new ATOM 260 N GLU A 17 7.736 -4.312 13.895 1.00 22.11 N ATOM 261 CA GLU A 17 8.104 -4.577 15.306 1.00 74.23 C ATOM 262 C GLU A 17 6.924 -5.172 16.117 1.00 72.51 C ATOM 263 O GLU A 17 7.138 -5.974 17.033 1.00 55.34 O ATOM 264 CB GLU A 17 8.607 -3.265 15.960 1.00 55.31 C ATOM 265 CG GLU A 17 10.018 -2.811 15.512 1.00 71.13 C ATOM 266 CD GLU A 17 11.155 -3.585 16.200 1.00 72.22 C ATOM 267 OE1 GLU A 17 11.483 -3.252 17.351 1.00 73.13 O ATOM 268 OE2 GLU A 17 11.701 -4.543 15.618 1.00 75.04 O ATOM 0 H GLU A 17 7.797 -3.328 13.634 1.00 22.11 H new ATOM 0 HA GLU A 17 8.899 -5.322 15.314 1.00 74.23 H new ATOM 0 HB2 GLU A 17 7.897 -2.469 15.735 1.00 55.31 H new ATOM 0 HB3 GLU A 17 8.610 -3.394 17.042 1.00 55.31 H new ATOM 0 HG2 GLU A 17 10.106 -2.934 14.433 1.00 71.13 H new ATOM 0 HG3 GLU A 17 10.133 -1.748 15.722 1.00 71.13 H new ATOM 275 N ALA A 18 5.687 -4.770 15.774 1.00 70.44 N ATOM 276 CA ALA A 18 4.460 -5.322 16.391 1.00 43.11 C ATOM 277 C ALA A 18 4.152 -6.751 15.870 1.00 75.33 C ATOM 278 O ALA A 18 3.578 -7.577 16.587 1.00 61.03 O ATOM 279 CB ALA A 18 3.279 -4.382 16.130 1.00 74.54 C ATOM 0 H ALA A 18 5.507 -4.058 15.066 1.00 70.44 H new ATOM 0 HA ALA A 18 4.624 -5.399 17.466 1.00 43.11 H new ATOM 0 HB1 ALA A 18 2.379 -4.793 16.586 1.00 74.54 H new ATOM 0 HB2 ALA A 18 3.490 -3.404 16.562 1.00 74.54 H new ATOM 0 HB3 ALA A 18 3.127 -4.279 15.056 1.00 74.54 H new ATOM 285 N LEU A 19 4.527 -7.018 14.608 1.00 3.40 N ATOM 286 CA LEU A 19 4.440 -8.363 13.994 1.00 64.42 C ATOM 287 C LEU A 19 5.556 -9.307 14.511 1.00 31.41 C ATOM 288 O LEU A 19 5.407 -10.534 14.485 1.00 1.11 O ATOM 289 CB LEU A 19 4.543 -8.240 12.451 1.00 32.22 C ATOM 290 CG LEU A 19 3.370 -7.503 11.735 1.00 32.31 C ATOM 291 CD1 LEU A 19 3.690 -7.257 10.244 1.00 30.32 C ATOM 292 CD2 LEU A 19 2.050 -8.288 11.904 1.00 61.53 C ATOM 0 H LEU A 19 4.901 -6.308 13.979 1.00 3.40 H new ATOM 0 HA LEU A 19 3.479 -8.794 14.275 1.00 64.42 H new ATOM 0 HB2 LEU A 19 5.471 -7.720 12.211 1.00 32.22 H new ATOM 0 HB3 LEU A 19 4.622 -9.243 12.033 1.00 32.22 H new ATOM 0 HG LEU A 19 3.245 -6.528 12.206 1.00 32.31 H new ATOM 0 HD11 LEU A 19 2.853 -6.742 9.772 1.00 30.32 H new ATOM 0 HD12 LEU A 19 4.587 -6.644 10.161 1.00 30.32 H new ATOM 0 HD13 LEU A 19 3.856 -8.212 9.745 1.00 30.32 H new ATOM 0 HD21 LEU A 19 1.244 -7.757 11.397 1.00 61.53 H new ATOM 0 HD22 LEU A 19 2.160 -9.282 11.470 1.00 61.53 H new ATOM 0 HD23 LEU A 19 1.814 -8.379 12.964 1.00 61.53 H new ATOM 304 N ASN A 20 6.685 -8.722 14.948 1.00 15.21 N ATOM 305 CA ASN A 20 7.883 -9.491 15.343 1.00 52.31 C ATOM 306 C ASN A 20 7.700 -10.188 16.711 1.00 72.02 C ATOM 307 O ASN A 20 7.169 -9.600 17.660 1.00 25.55 O ATOM 308 CB ASN A 20 9.133 -8.577 15.351 1.00 32.20 C ATOM 309 CG ASN A 20 10.422 -9.384 15.471 1.00 20.14 C ATOM 310 OD1 ASN A 20 10.880 -9.683 16.565 1.00 61.32 O ATOM 311 ND2 ASN A 20 11.007 -9.754 14.351 1.00 5.23 N ATOM 0 H ASN A 20 6.795 -7.712 15.038 1.00 15.21 H new ATOM 0 HA ASN A 20 8.028 -10.277 14.602 1.00 52.31 H new ATOM 0 HB2 ASN A 20 9.158 -7.986 14.435 1.00 32.20 H new ATOM 0 HB3 ASN A 20 9.065 -7.875 16.182 1.00 32.20 H new ATOM 0 HD21 ASN A 20 11.865 -10.305 14.382 1.00 5.23 H new ATOM 0 HD22 ASN A 20 10.602 -9.490 13.453 1.00 5.23 H new ATOM 318 N GLY A 21 8.185 -11.441 16.798 1.00 24.23 N ATOM 319 CA GLY A 21 8.008 -12.277 17.992 1.00 55.12 C ATOM 320 C GLY A 21 6.725 -13.111 17.955 1.00 22.52 C ATOM 321 O GLY A 21 6.450 -13.874 18.882 1.00 13.03 O ATOM 0 H GLY A 21 8.705 -11.896 16.048 1.00 24.23 H new ATOM 0 HA2 GLY A 21 8.865 -12.943 18.092 1.00 55.12 H new ATOM 0 HA3 GLY A 21 7.995 -11.640 18.876 1.00 55.12 H new ATOM 325 N THR A 22 5.930 -12.963 16.876 1.00 4.21 N ATOM 326 CA THR A 22 4.648 -13.688 16.705 1.00 31.43 C ATOM 327 C THR A 22 4.625 -14.428 15.348 1.00 64.43 C ATOM 328 O THR A 22 5.570 -14.333 14.556 1.00 62.24 O ATOM 329 CB THR A 22 3.407 -12.726 16.769 1.00 20.12 C ATOM 330 OG1 THR A 22 3.275 -11.992 15.544 1.00 1.34 O ATOM 331 CG2 THR A 22 3.481 -11.735 17.948 1.00 53.40 C ATOM 0 H THR A 22 6.155 -12.341 16.100 1.00 4.21 H new ATOM 0 HA THR A 22 4.579 -14.398 17.529 1.00 31.43 H new ATOM 0 HB THR A 22 2.534 -13.361 16.921 1.00 20.12 H new ATOM 0 HG1 THR A 22 4.123 -11.547 15.337 1.00 1.34 H new ATOM 0 HG21 THR A 22 2.598 -11.096 17.942 1.00 53.40 H new ATOM 0 HG22 THR A 22 3.522 -12.288 18.886 1.00 53.40 H new ATOM 0 HG23 THR A 22 4.375 -11.119 17.850 1.00 53.40 H new ATOM 339 N GLU A 23 3.521 -15.147 15.080 1.00 42.14 N ATOM 340 CA GLU A 23 3.308 -15.854 13.791 1.00 41.43 C ATOM 341 C GLU A 23 2.766 -14.914 12.677 1.00 54.31 C ATOM 342 O GLU A 23 2.511 -15.365 11.558 1.00 35.30 O ATOM 343 CB GLU A 23 2.315 -17.027 14.005 1.00 71.55 C ATOM 344 CG GLU A 23 2.675 -17.980 15.164 1.00 24.03 C ATOM 345 CD GLU A 23 4.033 -18.686 15.001 1.00 33.02 C ATOM 346 OE1 GLU A 23 4.088 -19.752 14.347 1.00 63.02 O ATOM 347 OE2 GLU A 23 5.053 -18.185 15.528 1.00 1.32 O ATOM 0 H GLU A 23 2.752 -15.258 15.741 1.00 42.14 H new ATOM 0 HA GLU A 23 4.277 -16.226 13.459 1.00 41.43 H new ATOM 0 HB2 GLU A 23 1.323 -16.615 14.188 1.00 71.55 H new ATOM 0 HB3 GLU A 23 2.255 -17.606 13.083 1.00 71.55 H new ATOM 0 HG2 GLU A 23 2.682 -17.415 16.096 1.00 24.03 H new ATOM 0 HG3 GLU A 23 1.894 -18.735 15.255 1.00 24.03 H new ATOM 354 N GLY A 24 2.613 -13.610 12.989 1.00 22.12 N ATOM 355 CA GLY A 24 1.927 -12.653 12.103 1.00 12.05 C ATOM 356 C GLY A 24 0.470 -12.406 12.516 1.00 4.13 C ATOM 357 O GLY A 24 -0.211 -13.329 12.972 1.00 10.10 O ATOM 0 H GLY A 24 2.959 -13.196 13.855 1.00 22.12 H new ATOM 0 HA2 GLY A 24 2.468 -11.707 12.109 1.00 12.05 H new ATOM 0 HA3 GLY A 24 1.952 -13.028 11.080 1.00 12.05 H new ATOM 361 N LEU A 25 -0.022 -11.160 12.356 1.00 54.42 N ATOM 362 CA LEU A 25 -1.370 -10.749 12.841 1.00 11.32 C ATOM 363 C LEU A 25 -2.305 -10.337 11.679 1.00 3.33 C ATOM 364 O LEU A 25 -1.859 -10.081 10.553 1.00 30.20 O ATOM 365 CB LEU A 25 -1.269 -9.563 13.859 1.00 65.42 C ATOM 366 CG LEU A 25 -0.611 -9.835 15.255 1.00 3.04 C ATOM 367 CD1 LEU A 25 -1.218 -11.074 15.944 1.00 72.32 C ATOM 368 CD2 LEU A 25 0.927 -9.910 15.169 1.00 72.41 C ATOM 0 H LEU A 25 0.493 -10.412 11.892 1.00 54.42 H new ATOM 0 HA LEU A 25 -1.795 -11.621 13.338 1.00 11.32 H new ATOM 0 HB2 LEU A 25 -0.710 -8.760 13.379 1.00 65.42 H new ATOM 0 HB3 LEU A 25 -2.278 -9.189 14.034 1.00 65.42 H new ATOM 0 HG LEU A 25 -0.843 -8.978 15.887 1.00 3.04 H new ATOM 0 HD11 LEU A 25 -0.734 -11.227 16.909 1.00 72.32 H new ATOM 0 HD12 LEU A 25 -2.287 -10.920 16.094 1.00 72.32 H new ATOM 0 HD13 LEU A 25 -1.063 -11.952 15.317 1.00 72.32 H new ATOM 0 HD21 LEU A 25 1.338 -10.100 16.161 1.00 72.41 H new ATOM 0 HD22 LEU A 25 1.215 -10.718 14.496 1.00 72.41 H new ATOM 0 HD23 LEU A 25 1.317 -8.965 14.790 1.00 72.41 H new ATOM 380 N THR A 26 -3.621 -10.277 11.979 1.00 50.53 N ATOM 381 CA THR A 26 -4.648 -9.754 11.040 1.00 70.03 C ATOM 382 C THR A 26 -4.679 -8.214 11.091 1.00 13.42 C ATOM 383 O THR A 26 -4.155 -7.628 12.039 1.00 30.14 O ATOM 384 CB THR A 26 -6.080 -10.290 11.383 1.00 11.05 C ATOM 385 OG1 THR A 26 -6.492 -9.829 12.684 1.00 35.55 O ATOM 386 CG2 THR A 26 -6.170 -11.823 11.336 1.00 74.31 C ATOM 0 H THR A 26 -4.004 -10.587 12.872 1.00 50.53 H new ATOM 0 HA THR A 26 -4.374 -10.099 10.043 1.00 70.03 H new ATOM 0 HB THR A 26 -6.747 -9.896 10.616 1.00 11.05 H new ATOM 0 HG1 THR A 26 -7.389 -10.170 12.883 1.00 35.55 H new ATOM 0 HG21 THR A 26 -7.185 -12.136 11.582 1.00 74.31 H new ATOM 0 HG22 THR A 26 -5.916 -12.172 10.335 1.00 74.31 H new ATOM 0 HG23 THR A 26 -5.474 -12.251 12.057 1.00 74.31 H new ATOM 394 N GLN A 27 -5.331 -7.572 10.095 1.00 4.53 N ATOM 395 CA GLN A 27 -5.422 -6.084 10.005 1.00 53.23 C ATOM 396 C GLN A 27 -5.954 -5.459 11.323 1.00 54.32 C ATOM 397 O GLN A 27 -5.441 -4.439 11.783 1.00 60.22 O ATOM 398 CB GLN A 27 -6.328 -5.681 8.807 1.00 4.11 C ATOM 399 CG GLN A 27 -6.464 -4.161 8.558 1.00 20.32 C ATOM 400 CD GLN A 27 -7.392 -3.811 7.387 1.00 73.03 C ATOM 401 OE1 GLN A 27 -7.521 -4.565 6.428 1.00 21.31 O ATOM 402 NE2 GLN A 27 -8.060 -2.673 7.468 1.00 50.44 N ATOM 0 H GLN A 27 -5.807 -8.058 9.335 1.00 4.53 H new ATOM 0 HA GLN A 27 -4.417 -5.695 9.844 1.00 53.23 H new ATOM 0 HB2 GLN A 27 -5.934 -6.146 7.903 1.00 4.11 H new ATOM 0 HB3 GLN A 27 -7.323 -6.095 8.971 1.00 4.11 H new ATOM 0 HG2 GLN A 27 -6.840 -3.685 9.464 1.00 20.32 H new ATOM 0 HG3 GLN A 27 -5.476 -3.743 8.365 1.00 20.32 H new ATOM 0 HE21 GLN A 27 -7.934 -2.064 8.277 1.00 50.44 H new ATOM 0 HE22 GLN A 27 -8.701 -2.404 6.722 1.00 50.44 H new ATOM 411 N LYS A 28 -6.965 -6.112 11.926 1.00 44.43 N ATOM 412 CA LYS A 28 -7.532 -5.711 13.239 1.00 14.03 C ATOM 413 C LYS A 28 -6.481 -5.744 14.379 1.00 72.13 C ATOM 414 O LYS A 28 -6.304 -4.753 15.089 1.00 30.44 O ATOM 415 CB LYS A 28 -8.730 -6.625 13.598 1.00 53.45 C ATOM 416 CG LYS A 28 -9.922 -6.540 12.616 1.00 1.14 C ATOM 417 CD LYS A 28 -10.598 -5.147 12.585 1.00 42.44 C ATOM 418 CE LYS A 28 -11.275 -4.786 13.918 1.00 24.22 C ATOM 419 NZ LYS A 28 -11.931 -3.458 13.872 1.00 21.44 N ATOM 0 H LYS A 28 -7.416 -6.933 11.522 1.00 44.43 H new ATOM 0 HA LYS A 28 -7.867 -4.678 13.142 1.00 14.03 H new ATOM 0 HB2 LYS A 28 -8.383 -7.657 13.639 1.00 53.45 H new ATOM 0 HB3 LYS A 28 -9.080 -6.367 14.597 1.00 53.45 H new ATOM 0 HG2 LYS A 28 -9.575 -6.789 11.613 1.00 1.14 H new ATOM 0 HG3 LYS A 28 -10.664 -7.289 12.892 1.00 1.14 H new ATOM 0 HD2 LYS A 28 -9.851 -4.390 12.345 1.00 42.44 H new ATOM 0 HD3 LYS A 28 -11.341 -5.126 11.788 1.00 42.44 H new ATOM 0 HE2 LYS A 28 -12.016 -5.547 14.165 1.00 24.22 H new ATOM 0 HE3 LYS A 28 -10.531 -4.794 14.715 1.00 24.22 H new ATOM 0 HZ1 LYS A 28 -12.373 -3.257 14.792 1.00 21.44 H new ATOM 0 HZ2 LYS A 28 -11.221 -2.727 13.662 1.00 21.44 H new ATOM 0 HZ3 LYS A 28 -12.659 -3.456 13.130 1.00 21.44 H new ATOM 433 N GLN A 29 -5.780 -6.884 14.525 1.00 73.33 N ATOM 434 CA GLN A 29 -4.797 -7.099 15.617 1.00 31.12 C ATOM 435 C GLN A 29 -3.564 -6.173 15.490 1.00 44.11 C ATOM 436 O GLN A 29 -3.024 -5.700 16.495 1.00 21.43 O ATOM 437 CB GLN A 29 -4.361 -8.585 15.646 1.00 73.30 C ATOM 438 CG GLN A 29 -5.493 -9.604 15.929 1.00 73.25 C ATOM 439 CD GLN A 29 -6.064 -9.554 17.362 1.00 34.12 C ATOM 440 OE1 GLN A 29 -6.113 -8.514 18.015 1.00 42.35 O ATOM 441 NE2 GLN A 29 -6.511 -10.686 17.861 1.00 61.00 N ATOM 0 H GLN A 29 -5.874 -7.681 13.896 1.00 73.33 H new ATOM 0 HA GLN A 29 -5.287 -6.845 16.557 1.00 31.12 H new ATOM 0 HB2 GLN A 29 -3.905 -8.831 14.687 1.00 73.30 H new ATOM 0 HB3 GLN A 29 -3.589 -8.705 16.406 1.00 73.30 H new ATOM 0 HG2 GLN A 29 -6.305 -9.430 15.223 1.00 73.25 H new ATOM 0 HG3 GLN A 29 -5.115 -10.608 15.738 1.00 73.25 H new ATOM 0 HE21 GLN A 29 -6.464 -11.541 17.307 1.00 61.00 H new ATOM 0 HE22 GLN A 29 -6.905 -10.708 18.802 1.00 61.00 H new ATOM 450 N ILE A 30 -3.137 -5.919 14.245 1.00 32.32 N ATOM 451 CA ILE A 30 -2.053 -4.955 13.940 1.00 31.01 C ATOM 452 C ILE A 30 -2.485 -3.523 14.313 1.00 51.33 C ATOM 453 O ILE A 30 -1.726 -2.773 14.921 1.00 42.40 O ATOM 454 CB ILE A 30 -1.679 -5.007 12.413 1.00 34.25 C ATOM 455 CG1 ILE A 30 -1.242 -6.446 12.011 1.00 14.23 C ATOM 456 CG2 ILE A 30 -0.580 -3.969 12.053 1.00 64.31 C ATOM 457 CD1 ILE A 30 -1.119 -6.681 10.521 1.00 72.11 C ATOM 0 H ILE A 30 -3.528 -6.371 13.418 1.00 32.32 H new ATOM 0 HA ILE A 30 -1.180 -5.232 14.530 1.00 31.01 H new ATOM 0 HB ILE A 30 -2.569 -4.742 11.842 1.00 34.25 H new ATOM 0 HG12 ILE A 30 -0.282 -6.663 12.479 1.00 14.23 H new ATOM 0 HG13 ILE A 30 -1.962 -7.156 12.418 1.00 14.23 H new ATOM 0 HG21 ILE A 30 -0.350 -4.037 10.990 1.00 64.31 H new ATOM 0 HG22 ILE A 30 -0.938 -2.966 12.284 1.00 64.31 H new ATOM 0 HG23 ILE A 30 0.320 -4.176 12.633 1.00 64.31 H new ATOM 0 HD11 ILE A 30 -0.810 -7.710 10.339 1.00 72.11 H new ATOM 0 HD12 ILE A 30 -2.082 -6.501 10.044 1.00 72.11 H new ATOM 0 HD13 ILE A 30 -0.376 -6.001 10.105 1.00 72.11 H new ATOM 469 N LYS A 31 -3.738 -3.189 13.967 1.00 32.52 N ATOM 470 CA LYS A 31 -4.326 -1.851 14.196 1.00 50.51 C ATOM 471 C LYS A 31 -4.535 -1.578 15.710 1.00 53.40 C ATOM 472 O LYS A 31 -4.583 -0.430 16.131 1.00 40.04 O ATOM 473 CB LYS A 31 -5.655 -1.727 13.399 1.00 33.30 C ATOM 474 CG LYS A 31 -6.077 -0.286 13.037 1.00 2.14 C ATOM 475 CD LYS A 31 -7.257 -0.270 12.035 1.00 44.32 C ATOM 476 CE LYS A 31 -7.564 1.132 11.487 1.00 61.25 C ATOM 477 NZ LYS A 31 -8.067 2.061 12.532 1.00 23.32 N ATOM 0 H LYS A 31 -4.380 -3.841 13.517 1.00 32.52 H new ATOM 0 HA LYS A 31 -3.633 -1.091 13.836 1.00 50.51 H new ATOM 0 HB2 LYS A 31 -5.562 -2.303 12.478 1.00 33.30 H new ATOM 0 HB3 LYS A 31 -6.453 -2.186 13.982 1.00 33.30 H new ATOM 0 HG2 LYS A 31 -6.362 0.248 13.943 1.00 2.14 H new ATOM 0 HG3 LYS A 31 -5.228 0.245 12.607 1.00 2.14 H new ATOM 0 HD2 LYS A 31 -7.029 -0.937 11.203 1.00 44.32 H new ATOM 0 HD3 LYS A 31 -8.147 -0.665 12.525 1.00 44.32 H new ATOM 0 HE2 LYS A 31 -6.661 1.549 11.041 1.00 61.25 H new ATOM 0 HE3 LYS A 31 -8.305 1.052 10.691 1.00 61.25 H new ATOM 0 HZ1 LYS A 31 -8.322 2.970 12.095 1.00 23.32 H new ATOM 0 HZ2 LYS A 31 -8.906 1.649 12.988 1.00 23.32 H new ATOM 0 HZ3 LYS A 31 -7.326 2.215 13.245 1.00 23.32 H new ATOM 491 N LYS A 32 -4.709 -2.656 16.504 1.00 73.10 N ATOM 492 CA LYS A 32 -4.670 -2.590 17.988 1.00 51.43 C ATOM 493 C LYS A 32 -3.231 -2.321 18.497 1.00 64.21 C ATOM 494 O LYS A 32 -2.986 -1.361 19.232 1.00 23.15 O ATOM 495 CB LYS A 32 -5.204 -3.914 18.601 1.00 34.12 C ATOM 496 CG LYS A 32 -6.677 -4.230 18.266 1.00 65.32 C ATOM 497 CD LYS A 32 -7.699 -3.259 18.918 1.00 52.21 C ATOM 498 CE LYS A 32 -7.960 -3.541 20.419 1.00 44.21 C ATOM 499 NZ LYS A 32 -6.788 -3.283 21.288 1.00 31.24 N ATOM 0 H LYS A 32 -4.880 -3.594 16.141 1.00 73.10 H new ATOM 0 HA LYS A 32 -5.308 -1.764 18.303 1.00 51.43 H new ATOM 0 HB2 LYS A 32 -4.581 -4.738 18.252 1.00 34.12 H new ATOM 0 HB3 LYS A 32 -5.094 -3.868 19.684 1.00 34.12 H new ATOM 0 HG2 LYS A 32 -6.806 -4.203 17.184 1.00 65.32 H new ATOM 0 HG3 LYS A 32 -6.902 -5.247 18.589 1.00 65.32 H new ATOM 0 HD2 LYS A 32 -7.336 -2.237 18.808 1.00 52.21 H new ATOM 0 HD3 LYS A 32 -8.643 -3.323 18.377 1.00 52.21 H new ATOM 0 HE2 LYS A 32 -8.793 -2.924 20.756 1.00 44.21 H new ATOM 0 HE3 LYS A 32 -8.266 -4.581 20.536 1.00 44.21 H new ATOM 0 HZ1 LYS A 32 -7.109 -2.896 22.198 1.00 31.24 H new ATOM 0 HZ2 LYS A 32 -6.274 -4.172 21.451 1.00 31.24 H new ATOM 0 HZ3 LYS A 32 -6.156 -2.599 20.825 1.00 31.24 H new ATOM 513 N ALA A 33 -2.288 -3.178 18.059 1.00 62.22 N ATOM 514 CA ALA A 33 -0.876 -3.167 18.524 1.00 34.44 C ATOM 515 C ALA A 33 -0.136 -1.841 18.213 1.00 62.42 C ATOM 516 O ALA A 33 0.706 -1.385 18.996 1.00 23.44 O ATOM 517 CB ALA A 33 -0.126 -4.352 17.899 1.00 10.40 C ATOM 0 H ALA A 33 -2.480 -3.904 17.369 1.00 62.22 H new ATOM 0 HA ALA A 33 -0.895 -3.257 19.610 1.00 34.44 H new ATOM 0 HB1 ALA A 33 0.910 -4.347 18.238 1.00 10.40 H new ATOM 0 HB2 ALA A 33 -0.602 -5.285 18.202 1.00 10.40 H new ATOM 0 HB3 ALA A 33 -0.153 -4.267 16.813 1.00 10.40 H new ATOM 523 N THR A 34 -0.456 -1.240 17.057 1.00 32.12 N ATOM 524 CA THR A 34 0.163 0.029 16.589 1.00 44.35 C ATOM 525 C THR A 34 -0.768 1.242 16.802 1.00 51.54 C ATOM 526 O THR A 34 -0.324 2.385 16.662 1.00 54.40 O ATOM 527 CB THR A 34 0.536 -0.065 15.076 1.00 53.14 C ATOM 528 OG1 THR A 34 -0.650 -0.302 14.295 1.00 4.32 O ATOM 529 CG2 THR A 34 1.553 -1.187 14.807 1.00 43.14 C ATOM 0 H THR A 34 -1.152 -1.614 16.412 1.00 32.12 H new ATOM 0 HA THR A 34 1.064 0.176 17.185 1.00 44.35 H new ATOM 0 HB THR A 34 0.992 0.883 14.790 1.00 53.14 H new ATOM 0 HG1 THR A 34 -0.968 -1.216 14.452 1.00 4.32 H new ATOM 0 HG21 THR A 34 1.786 -1.219 13.743 1.00 43.14 H new ATOM 0 HG22 THR A 34 2.465 -0.995 15.373 1.00 43.14 H new ATOM 0 HG23 THR A 34 1.130 -2.143 15.115 1.00 43.14 H new ATOM 537 N LYS A 35 -2.060 0.962 17.117 1.00 23.12 N ATOM 538 CA LYS A 35 -3.143 1.964 17.380 1.00 24.34 C ATOM 539 C LYS A 35 -3.267 3.057 16.284 1.00 63.12 C ATOM 540 O LYS A 35 -3.535 4.236 16.563 1.00 73.12 O ATOM 541 CB LYS A 35 -3.093 2.548 18.833 1.00 35.22 C ATOM 542 CG LYS A 35 -1.834 3.358 19.225 1.00 30.23 C ATOM 543 CD LYS A 35 -1.875 3.859 20.685 1.00 62.12 C ATOM 544 CE LYS A 35 -2.056 2.714 21.704 1.00 54.51 C ATOM 545 NZ LYS A 35 -2.122 3.209 23.098 1.00 31.11 N ATOM 0 H LYS A 35 -2.394 0.002 17.199 1.00 23.12 H new ATOM 0 HA LYS A 35 -4.074 1.401 17.316 1.00 24.34 H new ATOM 0 HB2 LYS A 35 -3.964 3.189 18.970 1.00 35.22 H new ATOM 0 HB3 LYS A 35 -3.194 1.720 19.534 1.00 35.22 H new ATOM 0 HG2 LYS A 35 -0.949 2.737 19.084 1.00 30.23 H new ATOM 0 HG3 LYS A 35 -1.734 4.212 18.555 1.00 30.23 H new ATOM 0 HD2 LYS A 35 -0.952 4.394 20.907 1.00 62.12 H new ATOM 0 HD3 LYS A 35 -2.692 4.572 20.797 1.00 62.12 H new ATOM 0 HE2 LYS A 35 -2.968 2.165 21.472 1.00 54.51 H new ATOM 0 HE3 LYS A 35 -1.228 2.011 21.609 1.00 54.51 H new ATOM 0 HZ1 LYS A 35 -2.244 2.405 23.746 1.00 31.11 H new ATOM 0 HZ2 LYS A 35 -1.241 3.711 23.330 1.00 31.11 H new ATOM 0 HZ3 LYS A 35 -2.927 3.859 23.198 1.00 31.11 H new ATOM 559 N LEU A 36 -3.143 2.610 15.023 1.00 74.51 N ATOM 560 CA LEU A 36 -3.292 3.473 13.827 1.00 22.10 C ATOM 561 C LEU A 36 -4.745 3.988 13.671 1.00 14.10 C ATOM 562 O LEU A 36 -5.710 3.228 13.852 1.00 21.44 O ATOM 563 CB LEU A 36 -2.841 2.701 12.560 1.00 42.03 C ATOM 564 CG LEU A 36 -1.338 2.281 12.540 1.00 1.11 C ATOM 565 CD1 LEU A 36 -1.009 1.421 11.305 1.00 15.03 C ATOM 566 CD2 LEU A 36 -0.412 3.516 12.635 1.00 24.44 C ATOM 0 H LEU A 36 -2.936 1.637 14.798 1.00 74.51 H new ATOM 0 HA LEU A 36 -2.653 4.347 13.957 1.00 22.10 H new ATOM 0 HB2 LEU A 36 -3.454 1.805 12.462 1.00 42.03 H new ATOM 0 HB3 LEU A 36 -3.041 3.321 11.686 1.00 42.03 H new ATOM 0 HG LEU A 36 -1.156 1.665 13.420 1.00 1.11 H new ATOM 0 HD11 LEU A 36 0.046 1.146 11.323 1.00 15.03 H new ATOM 0 HD12 LEU A 36 -1.619 0.518 11.317 1.00 15.03 H new ATOM 0 HD13 LEU A 36 -1.220 1.989 10.399 1.00 15.03 H new ATOM 0 HD21 LEU A 36 0.629 3.193 12.619 1.00 24.44 H new ATOM 0 HD22 LEU A 36 -0.600 4.177 11.789 1.00 24.44 H new ATOM 0 HD23 LEU A 36 -0.612 4.050 13.564 1.00 24.44 H new ATOM 578 N LYS A 37 -4.874 5.283 13.329 1.00 71.13 N ATOM 579 CA LYS A 37 -6.178 5.970 13.191 1.00 22.33 C ATOM 580 C LYS A 37 -6.939 5.437 11.960 1.00 33.10 C ATOM 581 O LYS A 37 -8.035 4.884 12.074 1.00 51.30 O ATOM 582 CB LYS A 37 -5.954 7.496 13.044 1.00 31.33 C ATOM 583 CG LYS A 37 -5.134 8.141 14.176 1.00 52.23 C ATOM 584 CD LYS A 37 -4.816 9.625 13.887 1.00 41.20 C ATOM 585 CE LYS A 37 -3.956 10.267 14.983 1.00 33.42 C ATOM 586 NZ LYS A 37 -2.693 9.521 15.221 1.00 11.34 N ATOM 0 H LYS A 37 -4.075 5.888 13.139 1.00 71.13 H new ATOM 0 HA LYS A 37 -6.772 5.774 14.084 1.00 22.33 H new ATOM 0 HB2 LYS A 37 -5.450 7.685 12.096 1.00 31.33 H new ATOM 0 HB3 LYS A 37 -6.925 7.988 12.992 1.00 31.33 H new ATOM 0 HG2 LYS A 37 -5.686 8.064 15.113 1.00 52.23 H new ATOM 0 HG3 LYS A 37 -4.203 7.590 14.309 1.00 52.23 H new ATOM 0 HD2 LYS A 37 -4.298 9.702 12.931 1.00 41.20 H new ATOM 0 HD3 LYS A 37 -5.749 10.181 13.790 1.00 41.20 H new ATOM 0 HE2 LYS A 37 -3.721 11.294 14.702 1.00 33.42 H new ATOM 0 HE3 LYS A 37 -4.528 10.313 15.910 1.00 33.42 H new ATOM 0 HZ1 LYS A 37 -2.065 10.086 15.828 1.00 11.34 H new ATOM 0 HZ2 LYS A 37 -2.907 8.617 15.690 1.00 11.34 H new ATOM 0 HZ3 LYS A 37 -2.222 9.337 14.312 1.00 11.34 H new ATOM 600 N ALA A 38 -6.314 5.605 10.787 1.00 43.44 N ATOM 601 CA ALA A 38 -6.837 5.112 9.504 1.00 60.02 C ATOM 602 C ALA A 38 -6.239 3.736 9.163 1.00 1.52 C ATOM 603 O ALA A 38 -5.108 3.413 9.544 1.00 21.23 O ATOM 604 CB ALA A 38 -6.525 6.119 8.380 1.00 42.22 C ATOM 0 H ALA A 38 -5.422 6.092 10.700 1.00 43.44 H new ATOM 0 HA ALA A 38 -7.918 5.004 9.594 1.00 60.02 H new ATOM 0 HB1 ALA A 38 -6.917 5.743 7.435 1.00 42.22 H new ATOM 0 HB2 ALA A 38 -6.991 7.077 8.610 1.00 42.22 H new ATOM 0 HB3 ALA A 38 -5.446 6.250 8.298 1.00 42.22 H new ATOM 610 N ASP A 39 -7.027 2.926 8.460 1.00 4.20 N ATOM 611 CA ASP A 39 -6.535 1.713 7.765 1.00 14.41 C ATOM 612 C ASP A 39 -5.481 2.082 6.688 1.00 25.31 C ATOM 613 O ASP A 39 -4.598 1.285 6.367 1.00 4.12 O ATOM 614 CB ASP A 39 -7.734 0.952 7.148 1.00 60.31 C ATOM 615 CG ASP A 39 -8.697 1.889 6.398 1.00 43.40 C ATOM 616 OD1 ASP A 39 -8.462 2.182 5.212 1.00 30.11 O ATOM 617 OD2 ASP A 39 -9.684 2.357 7.007 1.00 45.12 O ATOM 0 H ASP A 39 -8.029 3.082 8.349 1.00 4.20 H new ATOM 0 HA ASP A 39 -6.042 1.061 8.486 1.00 14.41 H new ATOM 0 HB2 ASP A 39 -7.364 0.190 6.462 1.00 60.31 H new ATOM 0 HB3 ASP A 39 -8.277 0.433 7.938 1.00 60.31 H new ATOM 622 N LYS A 40 -5.597 3.318 6.162 1.00 42.33 N ATOM 623 CA LYS A 40 -4.639 3.904 5.198 1.00 44.02 C ATOM 624 C LYS A 40 -3.216 4.030 5.783 1.00 15.12 C ATOM 625 O LYS A 40 -2.239 3.954 5.037 1.00 31.32 O ATOM 626 CB LYS A 40 -5.147 5.281 4.709 1.00 64.01 C ATOM 627 CG LYS A 40 -6.536 5.230 4.037 1.00 54.55 C ATOM 628 CD LYS A 40 -6.939 6.581 3.404 1.00 1.15 C ATOM 629 CE LYS A 40 -8.247 6.501 2.588 1.00 34.24 C ATOM 630 NZ LYS A 40 -8.586 7.799 1.960 1.00 4.21 N ATOM 0 H LYS A 40 -6.366 3.946 6.396 1.00 42.33 H new ATOM 0 HA LYS A 40 -4.575 3.221 4.351 1.00 44.02 H new ATOM 0 HB2 LYS A 40 -5.189 5.964 5.557 1.00 64.01 H new ATOM 0 HB3 LYS A 40 -4.427 5.694 4.002 1.00 64.01 H new ATOM 0 HG2 LYS A 40 -6.535 4.458 3.267 1.00 54.55 H new ATOM 0 HG3 LYS A 40 -7.283 4.942 4.777 1.00 54.55 H new ATOM 0 HD2 LYS A 40 -7.055 7.325 4.192 1.00 1.15 H new ATOM 0 HD3 LYS A 40 -6.134 6.926 2.756 1.00 1.15 H new ATOM 0 HE2 LYS A 40 -8.147 5.739 1.815 1.00 34.24 H new ATOM 0 HE3 LYS A 40 -9.063 6.189 3.240 1.00 34.24 H new ATOM 0 HZ1 LYS A 40 -9.106 7.631 1.075 1.00 4.21 H new ATOM 0 HZ2 LYS A 40 -9.178 8.355 2.610 1.00 4.21 H new ATOM 0 HZ3 LYS A 40 -7.712 8.323 1.753 1.00 4.21 H new ATOM 644 N ASP A 41 -3.108 4.199 7.117 1.00 61.43 N ATOM 645 CA ASP A 41 -1.804 4.193 7.816 1.00 14.24 C ATOM 646 C ASP A 41 -1.137 2.801 7.696 1.00 70.23 C ATOM 647 O ASP A 41 0.078 2.694 7.491 1.00 62.33 O ATOM 648 CB ASP A 41 -1.977 4.555 9.313 1.00 23.43 C ATOM 649 CG ASP A 41 -2.684 5.889 9.582 1.00 41.33 C ATOM 650 OD1 ASP A 41 -2.573 6.818 8.755 1.00 31.24 O ATOM 651 OD2 ASP A 41 -3.347 6.020 10.637 1.00 33.05 O ATOM 0 H ASP A 41 -3.908 4.341 7.733 1.00 61.43 H new ATOM 0 HA ASP A 41 -1.167 4.942 7.345 1.00 14.24 H new ATOM 0 HB2 ASP A 41 -2.539 3.759 9.801 1.00 23.43 H new ATOM 0 HB3 ASP A 41 -0.993 4.583 9.780 1.00 23.43 H new ATOM 656 N PHE A 42 -1.967 1.744 7.820 1.00 11.11 N ATOM 657 CA PHE A 42 -1.526 0.347 7.653 1.00 54.42 C ATOM 658 C PHE A 42 -1.143 0.050 6.184 1.00 3.22 C ATOM 659 O PHE A 42 -0.216 -0.699 5.940 1.00 24.25 O ATOM 660 CB PHE A 42 -2.621 -0.641 8.152 1.00 32.23 C ATOM 661 CG PHE A 42 -2.314 -2.115 7.880 1.00 55.23 C ATOM 662 CD1 PHE A 42 -1.182 -2.724 8.431 1.00 4.44 C ATOM 663 CD2 PHE A 42 -3.148 -2.890 7.069 1.00 31.51 C ATOM 664 CE1 PHE A 42 -0.894 -4.047 8.173 1.00 5.14 C ATOM 665 CE2 PHE A 42 -2.858 -4.219 6.817 1.00 15.52 C ATOM 666 CZ PHE A 42 -1.734 -4.797 7.372 1.00 52.51 C ATOM 0 H PHE A 42 -2.959 1.837 8.038 1.00 11.11 H new ATOM 0 HA PHE A 42 -0.634 0.204 8.263 1.00 54.42 H new ATOM 0 HB2 PHE A 42 -2.756 -0.503 9.225 1.00 32.23 H new ATOM 0 HB3 PHE A 42 -3.568 -0.386 7.676 1.00 32.23 H new ATOM 0 HD1 PHE A 42 -0.525 -2.150 9.067 1.00 4.44 H new ATOM 0 HD2 PHE A 42 -4.031 -2.445 6.633 1.00 31.51 H new ATOM 0 HE1 PHE A 42 -0.010 -4.499 8.598 1.00 5.14 H new ATOM 0 HE2 PHE A 42 -3.511 -4.804 6.186 1.00 15.52 H new ATOM 0 HZ PHE A 42 -1.511 -5.836 7.180 1.00 52.51 H new ATOM 676 N PHE A 43 -1.867 0.635 5.219 1.00 64.21 N ATOM 677 CA PHE A 43 -1.588 0.418 3.776 1.00 23.51 C ATOM 678 C PHE A 43 -0.254 1.065 3.321 1.00 13.24 C ATOM 679 O PHE A 43 0.469 0.485 2.509 1.00 54.12 O ATOM 680 CB PHE A 43 -2.764 0.934 2.922 1.00 65.21 C ATOM 681 CG PHE A 43 -4.093 0.225 3.193 1.00 32.15 C ATOM 682 CD1 PHE A 43 -4.156 -1.163 3.333 1.00 62.15 C ATOM 683 CD2 PHE A 43 -5.279 0.944 3.302 1.00 30.14 C ATOM 684 CE1 PHE A 43 -5.357 -1.796 3.573 1.00 43.14 C ATOM 685 CE2 PHE A 43 -6.477 0.307 3.540 1.00 4.44 C ATOM 686 CZ PHE A 43 -6.517 -1.060 3.678 1.00 72.14 C ATOM 0 H PHE A 43 -2.650 1.262 5.402 1.00 64.21 H new ATOM 0 HA PHE A 43 -1.480 -0.656 3.627 1.00 23.51 H new ATOM 0 HB2 PHE A 43 -2.890 2.001 3.104 1.00 65.21 H new ATOM 0 HB3 PHE A 43 -2.511 0.818 1.868 1.00 65.21 H new ATOM 0 HD1 PHE A 43 -3.252 -1.748 3.252 1.00 62.15 H new ATOM 0 HD2 PHE A 43 -5.260 2.019 3.198 1.00 30.14 H new ATOM 0 HE1 PHE A 43 -5.389 -2.870 3.679 1.00 43.14 H new ATOM 0 HE2 PHE A 43 -7.387 0.883 3.618 1.00 4.44 H new ATOM 0 HZ PHE A 43 -7.457 -1.557 3.869 1.00 72.14 H new ATOM 696 N LEU A 44 0.060 2.263 3.852 1.00 62.14 N ATOM 697 CA LEU A 44 1.358 2.943 3.587 1.00 13.52 C ATOM 698 C LEU A 44 2.524 2.202 4.289 1.00 32.02 C ATOM 699 O LEU A 44 3.593 2.009 3.694 1.00 30.41 O ATOM 700 CB LEU A 44 1.296 4.443 4.020 1.00 24.51 C ATOM 701 CG LEU A 44 0.734 5.449 2.950 1.00 33.53 C ATOM 702 CD1 LEU A 44 -0.684 5.070 2.461 1.00 53.13 C ATOM 703 CD2 LEU A 44 0.766 6.901 3.482 1.00 50.21 C ATOM 0 H LEU A 44 -0.563 2.786 4.468 1.00 62.14 H new ATOM 0 HA LEU A 44 1.546 2.913 2.514 1.00 13.52 H new ATOM 0 HB2 LEU A 44 0.680 4.516 4.916 1.00 24.51 H new ATOM 0 HB3 LEU A 44 2.301 4.762 4.297 1.00 24.51 H new ATOM 0 HG LEU A 44 1.392 5.383 2.084 1.00 33.53 H new ATOM 0 HD11 LEU A 44 -1.022 5.799 1.724 1.00 53.13 H new ATOM 0 HD12 LEU A 44 -0.660 4.079 2.007 1.00 53.13 H new ATOM 0 HD13 LEU A 44 -1.371 5.065 3.307 1.00 53.13 H new ATOM 0 HD21 LEU A 44 0.372 7.576 2.722 1.00 50.21 H new ATOM 0 HD22 LEU A 44 0.156 6.972 4.382 1.00 50.21 H new ATOM 0 HD23 LEU A 44 1.793 7.180 3.717 1.00 50.21 H new ATOM 715 N GLY A 45 2.291 1.778 5.548 1.00 71.54 N ATOM 716 CA GLY A 45 3.271 0.981 6.307 1.00 31.34 C ATOM 717 C GLY A 45 3.586 -0.375 5.658 1.00 11.40 C ATOM 718 O GLY A 45 4.739 -0.672 5.366 1.00 73.41 O ATOM 0 H GLY A 45 1.431 1.976 6.059 1.00 71.54 H new ATOM 0 HA2 GLY A 45 4.194 1.552 6.406 1.00 31.34 H new ATOM 0 HA3 GLY A 45 2.890 0.814 7.315 1.00 31.34 H new ATOM 722 N LEU A 46 2.533 -1.169 5.395 1.00 75.12 N ATOM 723 CA LEU A 46 2.636 -2.494 4.725 1.00 5.11 C ATOM 724 C LEU A 46 3.216 -2.370 3.293 1.00 62.25 C ATOM 725 O LEU A 46 3.934 -3.259 2.830 1.00 63.35 O ATOM 726 CB LEU A 46 1.245 -3.186 4.679 1.00 25.30 C ATOM 727 CG LEU A 46 1.182 -4.592 3.990 1.00 51.23 C ATOM 728 CD1 LEU A 46 2.068 -5.625 4.722 1.00 22.32 C ATOM 729 CD2 LEU A 46 -0.281 -5.083 3.853 1.00 13.31 C ATOM 0 H LEU A 46 1.576 -0.915 5.640 1.00 75.12 H new ATOM 0 HA LEU A 46 3.323 -3.105 5.311 1.00 5.11 H new ATOM 0 HB2 LEU A 46 0.883 -3.292 5.702 1.00 25.30 H new ATOM 0 HB3 LEU A 46 0.551 -2.522 4.163 1.00 25.30 H new ATOM 0 HG LEU A 46 1.586 -4.484 2.983 1.00 51.23 H new ATOM 0 HD11 LEU A 46 1.999 -6.588 4.215 1.00 22.32 H new ATOM 0 HD12 LEU A 46 3.104 -5.285 4.716 1.00 22.32 H new ATOM 0 HD13 LEU A 46 1.727 -5.732 5.752 1.00 22.32 H new ATOM 0 HD21 LEU A 46 -0.293 -6.061 3.372 1.00 13.31 H new ATOM 0 HD22 LEU A 46 -0.733 -5.160 4.842 1.00 13.31 H new ATOM 0 HD23 LEU A 46 -0.848 -4.374 3.249 1.00 13.31 H new ATOM 741 N GLY A 47 2.919 -1.242 2.622 1.00 21.04 N ATOM 742 CA GLY A 47 3.479 -0.950 1.292 1.00 0.12 C ATOM 743 C GLY A 47 5.004 -0.810 1.317 1.00 71.11 C ATOM 744 O GLY A 47 5.699 -1.174 0.357 1.00 33.53 O ATOM 0 H GLY A 47 2.295 -0.519 2.980 1.00 21.04 H new ATOM 0 HA2 GLY A 47 3.202 -1.746 0.601 1.00 0.12 H new ATOM 0 HA3 GLY A 47 3.039 -0.029 0.910 1.00 0.12 H new ATOM 748 N TRP A 48 5.523 -0.286 2.443 1.00 4.41 N ATOM 749 CA TRP A 48 6.968 -0.212 2.699 1.00 2.23 C ATOM 750 C TRP A 48 7.520 -1.603 3.138 1.00 0.15 C ATOM 751 O TRP A 48 8.632 -1.965 2.779 1.00 43.40 O ATOM 752 CB TRP A 48 7.261 0.880 3.757 1.00 41.13 C ATOM 753 CG TRP A 48 8.701 1.355 3.797 1.00 43.20 C ATOM 754 CD1 TRP A 48 9.755 0.793 4.470 1.00 14.20 C ATOM 755 CD2 TRP A 48 9.229 2.509 3.130 1.00 11.02 C ATOM 756 NE1 TRP A 48 10.900 1.514 4.238 1.00 15.22 N ATOM 757 CE2 TRP A 48 10.601 2.578 3.431 1.00 32.44 C ATOM 758 CE3 TRP A 48 8.666 3.487 2.307 1.00 31.12 C ATOM 759 CZ2 TRP A 48 11.422 3.588 2.932 1.00 10.14 C ATOM 760 CZ3 TRP A 48 9.476 4.489 1.816 1.00 61.43 C ATOM 761 CH2 TRP A 48 10.841 4.536 2.130 1.00 72.24 C ATOM 0 H TRP A 48 4.952 0.096 3.197 1.00 4.41 H new ATOM 0 HA TRP A 48 7.481 0.064 1.778 1.00 2.23 H new ATOM 0 HB2 TRP A 48 6.616 1.737 3.563 1.00 41.13 H new ATOM 0 HB3 TRP A 48 6.993 0.495 4.741 1.00 41.13 H new ATOM 0 HD1 TRP A 48 9.694 -0.088 5.092 1.00 14.20 H new ATOM 0 HE1 TRP A 48 11.825 1.292 4.608 1.00 15.22 H new ATOM 0 HE3 TRP A 48 7.615 3.459 2.060 1.00 31.12 H new ATOM 0 HZ2 TRP A 48 12.475 3.622 3.168 1.00 10.14 H new ATOM 0 HZ3 TRP A 48 9.051 5.250 1.179 1.00 61.43 H new ATOM 0 HH2 TRP A 48 11.448 5.336 1.732 1.00 72.24 H new ATOM 772 N LEU A 49 6.725 -2.387 3.900 1.00 61.50 N ATOM 773 CA LEU A 49 7.071 -3.806 4.243 1.00 62.10 C ATOM 774 C LEU A 49 7.299 -4.665 2.967 1.00 2.33 C ATOM 775 O LEU A 49 8.127 -5.589 2.969 1.00 43.04 O ATOM 776 CB LEU A 49 5.962 -4.450 5.145 1.00 61.11 C ATOM 777 CG LEU A 49 6.063 -4.222 6.695 1.00 13.32 C ATOM 778 CD1 LEU A 49 6.352 -2.775 7.036 1.00 63.24 C ATOM 779 CD2 LEU A 49 4.773 -4.680 7.415 1.00 13.54 C ATOM 0 H LEU A 49 5.838 -2.072 4.294 1.00 61.50 H new ATOM 0 HA LEU A 49 8.006 -3.785 4.803 1.00 62.10 H new ATOM 0 HB2 LEU A 49 4.996 -4.071 4.812 1.00 61.11 H new ATOM 0 HB3 LEU A 49 5.963 -5.525 4.963 1.00 61.11 H new ATOM 0 HG LEU A 49 6.898 -4.829 7.045 1.00 13.32 H new ATOM 0 HD11 LEU A 49 6.414 -2.662 8.118 1.00 63.24 H new ATOM 0 HD12 LEU A 49 7.299 -2.477 6.585 1.00 63.24 H new ATOM 0 HD13 LEU A 49 5.552 -2.143 6.650 1.00 63.24 H new ATOM 0 HD21 LEU A 49 4.874 -4.509 8.487 1.00 13.54 H new ATOM 0 HD22 LEU A 49 3.923 -4.112 7.036 1.00 13.54 H new ATOM 0 HD23 LEU A 49 4.611 -5.742 7.231 1.00 13.54 H new ATOM 791 N LEU A 50 6.542 -4.350 1.894 1.00 45.35 N ATOM 792 CA LEU A 50 6.714 -4.977 0.564 1.00 20.43 C ATOM 793 C LEU A 50 8.076 -4.596 -0.090 1.00 42.13 C ATOM 794 O LEU A 50 8.766 -5.469 -0.621 1.00 0.12 O ATOM 795 CB LEU A 50 5.524 -4.604 -0.370 1.00 3.44 C ATOM 796 CG LEU A 50 4.106 -5.088 0.091 1.00 3.05 C ATOM 797 CD1 LEU A 50 3.007 -4.640 -0.906 1.00 35.35 C ATOM 798 CD2 LEU A 50 4.084 -6.619 0.312 1.00 20.41 C ATOM 0 H LEU A 50 5.796 -3.655 1.924 1.00 45.35 H new ATOM 0 HA LEU A 50 6.721 -6.057 0.708 1.00 20.43 H new ATOM 0 HB2 LEU A 50 5.498 -3.519 -0.476 1.00 3.44 H new ATOM 0 HB3 LEU A 50 5.722 -5.016 -1.359 1.00 3.44 H new ATOM 0 HG LEU A 50 3.887 -4.616 1.049 1.00 3.05 H new ATOM 0 HD11 LEU A 50 2.035 -4.991 -0.558 1.00 35.35 H new ATOM 0 HD12 LEU A 50 2.997 -3.552 -0.972 1.00 35.35 H new ATOM 0 HD13 LEU A 50 3.214 -5.062 -1.890 1.00 35.35 H new ATOM 0 HD21 LEU A 50 3.088 -6.926 0.631 1.00 20.41 H new ATOM 0 HD22 LEU A 50 4.339 -7.125 -0.619 1.00 20.41 H new ATOM 0 HD23 LEU A 50 4.810 -6.886 1.080 1.00 20.41 H new ATOM 810 N ARG A 51 8.487 -3.303 -0.020 1.00 51.21 N ATOM 811 CA ARG A 51 9.803 -2.861 -0.586 1.00 21.31 C ATOM 812 C ARG A 51 10.984 -3.342 0.290 1.00 75.21 C ATOM 813 O ARG A 51 12.135 -3.361 -0.157 1.00 31.13 O ATOM 814 CB ARG A 51 9.848 -1.312 -0.828 1.00 50.12 C ATOM 815 CG ARG A 51 9.805 -0.375 0.408 1.00 42.22 C ATOM 816 CD ARG A 51 11.179 -0.127 1.073 1.00 34.30 C ATOM 817 NE ARG A 51 12.066 0.710 0.247 1.00 51.10 N ATOM 818 CZ ARG A 51 13.358 0.881 0.430 1.00 44.31 C ATOM 819 NH1 ARG A 51 14.007 0.211 1.323 1.00 73.13 N ATOM 820 NH2 ARG A 51 13.993 1.725 -0.311 1.00 63.34 N ATOM 0 H ARG A 51 7.943 -2.556 0.412 1.00 51.21 H new ATOM 0 HA ARG A 51 9.909 -3.333 -1.563 1.00 21.31 H new ATOM 0 HB2 ARG A 51 10.759 -1.088 -1.384 1.00 50.12 H new ATOM 0 HB3 ARG A 51 9.009 -1.051 -1.473 1.00 50.12 H new ATOM 0 HG2 ARG A 51 9.383 0.584 0.107 1.00 42.22 H new ATOM 0 HG3 ARG A 51 9.129 -0.802 1.149 1.00 42.22 H new ATOM 0 HD2 ARG A 51 11.029 0.353 2.040 1.00 34.30 H new ATOM 0 HD3 ARG A 51 11.664 -1.084 1.265 1.00 34.30 H new ATOM 0 HE ARG A 51 11.640 1.202 -0.538 1.00 51.10 H new ATOM 0 HH11 ARG A 51 13.518 -0.469 1.906 1.00 73.13 H new ATOM 0 HH12 ARG A 51 15.008 0.362 1.446 1.00 73.13 H new ATOM 0 HH21 ARG A 51 13.494 2.250 -1.029 1.00 63.34 H new ATOM 0 HH22 ARG A 51 14.994 1.867 -0.179 1.00 63.34 H new ATOM 834 N GLU A 52 10.679 -3.717 1.547 1.00 73.04 N ATOM 835 CA GLU A 52 11.660 -4.300 2.475 1.00 51.44 C ATOM 836 C GLU A 52 11.795 -5.815 2.224 1.00 54.43 C ATOM 837 O GLU A 52 12.866 -6.389 2.437 1.00 53.42 O ATOM 838 CB GLU A 52 11.219 -4.044 3.938 1.00 43.42 C ATOM 839 CG GLU A 52 11.231 -2.569 4.390 1.00 71.22 C ATOM 840 CD GLU A 52 12.640 -1.970 4.503 1.00 44.22 C ATOM 841 OE1 GLU A 52 13.269 -2.098 5.573 1.00 54.33 O ATOM 842 OE2 GLU A 52 13.126 -1.374 3.524 1.00 51.44 O ATOM 0 H GLU A 52 9.745 -3.623 1.945 1.00 73.04 H new ATOM 0 HA GLU A 52 12.628 -3.828 2.306 1.00 51.44 H new ATOM 0 HB2 GLU A 52 10.211 -4.437 4.069 1.00 43.42 H new ATOM 0 HB3 GLU A 52 11.871 -4.613 4.600 1.00 43.42 H new ATOM 0 HG2 GLU A 52 10.650 -1.977 3.683 1.00 71.22 H new ATOM 0 HG3 GLU A 52 10.734 -2.490 5.357 1.00 71.22 H new ATOM 849 N ASP A 53 10.667 -6.436 1.795 1.00 15.11 N ATOM 850 CA ASP A 53 10.534 -7.900 1.590 1.00 31.13 C ATOM 851 C ASP A 53 10.728 -8.656 2.937 1.00 3.40 C ATOM 852 O ASP A 53 11.200 -9.795 2.986 1.00 22.40 O ATOM 853 CB ASP A 53 11.493 -8.396 0.460 1.00 41.15 C ATOM 854 CG ASP A 53 11.165 -9.798 -0.083 1.00 0.15 C ATOM 855 OD1 ASP A 53 9.972 -10.174 -0.129 1.00 10.11 O ATOM 856 OD2 ASP A 53 12.100 -10.525 -0.483 1.00 42.42 O ATOM 0 H ASP A 53 9.811 -5.925 1.579 1.00 15.11 H new ATOM 0 HA ASP A 53 9.524 -8.124 1.248 1.00 31.13 H new ATOM 0 HB2 ASP A 53 11.462 -7.684 -0.365 1.00 41.15 H new ATOM 0 HB3 ASP A 53 12.514 -8.397 0.841 1.00 41.15 H new ATOM 861 N LYS A 54 10.318 -7.988 4.033 1.00 4.23 N ATOM 862 CA LYS A 54 10.410 -8.535 5.405 1.00 50.50 C ATOM 863 C LYS A 54 9.123 -9.284 5.820 1.00 62.52 C ATOM 864 O LYS A 54 9.068 -9.853 6.917 1.00 1.23 O ATOM 865 CB LYS A 54 10.697 -7.407 6.431 1.00 63.12 C ATOM 866 CG LYS A 54 12.102 -6.772 6.354 1.00 3.40 C ATOM 867 CD LYS A 54 12.389 -5.823 7.549 1.00 64.40 C ATOM 868 CE LYS A 54 11.434 -4.613 7.612 1.00 45.04 C ATOM 869 NZ LYS A 54 11.712 -3.738 8.771 1.00 34.32 N ATOM 0 H LYS A 54 9.913 -7.053 3.994 1.00 4.23 H new ATOM 0 HA LYS A 54 11.235 -9.247 5.402 1.00 50.50 H new ATOM 0 HB2 LYS A 54 9.955 -6.620 6.295 1.00 63.12 H new ATOM 0 HB3 LYS A 54 10.555 -7.809 7.434 1.00 63.12 H new ATOM 0 HG2 LYS A 54 12.854 -7.561 6.332 1.00 3.40 H new ATOM 0 HG3 LYS A 54 12.196 -6.216 5.421 1.00 3.40 H new ATOM 0 HD2 LYS A 54 12.311 -6.387 8.478 1.00 64.40 H new ATOM 0 HD3 LYS A 54 13.416 -5.463 7.480 1.00 64.40 H new ATOM 0 HE2 LYS A 54 11.524 -4.034 6.693 1.00 45.04 H new ATOM 0 HE3 LYS A 54 10.405 -4.968 7.666 1.00 45.04 H new ATOM 0 HZ1 LYS A 54 11.046 -2.940 8.771 1.00 34.32 H new ATOM 0 HZ2 LYS A 54 11.601 -4.281 9.651 1.00 34.32 H new ATOM 0 HZ3 LYS A 54 12.685 -3.377 8.708 1.00 34.32 H new ATOM 883 N VAL A 55 8.085 -9.274 4.955 1.00 34.11 N ATOM 884 CA VAL A 55 6.773 -9.907 5.267 1.00 1.25 C ATOM 885 C VAL A 55 6.309 -10.890 4.178 1.00 42.31 C ATOM 886 O VAL A 55 6.642 -10.742 3.000 1.00 52.22 O ATOM 887 CB VAL A 55 5.637 -8.838 5.490 1.00 62.11 C ATOM 888 CG1 VAL A 55 5.928 -7.984 6.743 1.00 13.42 C ATOM 889 CG2 VAL A 55 5.429 -7.954 4.230 1.00 33.42 C ATOM 0 H VAL A 55 8.125 -8.836 4.035 1.00 34.11 H new ATOM 0 HA VAL A 55 6.942 -10.460 6.191 1.00 1.25 H new ATOM 0 HB VAL A 55 4.703 -9.373 5.660 1.00 62.11 H new ATOM 0 HG11 VAL A 55 5.131 -7.253 6.878 1.00 13.42 H new ATOM 0 HG12 VAL A 55 5.980 -8.630 7.619 1.00 13.42 H new ATOM 0 HG13 VAL A 55 6.879 -7.466 6.617 1.00 13.42 H new ATOM 0 HG21 VAL A 55 4.638 -7.229 4.421 1.00 33.42 H new ATOM 0 HG22 VAL A 55 6.355 -7.428 3.997 1.00 33.42 H new ATOM 0 HG23 VAL A 55 5.148 -8.584 3.386 1.00 33.42 H new ATOM 899 N VAL A 56 5.537 -11.904 4.605 1.00 43.43 N ATOM 900 CA VAL A 56 4.778 -12.786 3.702 1.00 62.43 C ATOM 901 C VAL A 56 3.282 -12.434 3.825 1.00 63.23 C ATOM 902 O VAL A 56 2.716 -12.527 4.904 1.00 1.43 O ATOM 903 CB VAL A 56 5.010 -14.303 4.056 1.00 64.24 C ATOM 904 CG1 VAL A 56 4.276 -15.239 3.060 1.00 33.13 C ATOM 905 CG2 VAL A 56 6.523 -14.634 4.129 1.00 33.12 C ATOM 0 H VAL A 56 5.421 -12.136 5.592 1.00 43.43 H new ATOM 0 HA VAL A 56 5.121 -12.634 2.679 1.00 62.43 H new ATOM 0 HB VAL A 56 4.582 -14.479 5.043 1.00 64.24 H new ATOM 0 HG11 VAL A 56 4.458 -16.278 3.335 1.00 33.13 H new ATOM 0 HG12 VAL A 56 3.205 -15.038 3.093 1.00 33.13 H new ATOM 0 HG13 VAL A 56 4.648 -15.060 2.051 1.00 33.13 H new ATOM 0 HG21 VAL A 56 6.653 -15.688 4.375 1.00 33.12 H new ATOM 0 HG22 VAL A 56 6.988 -14.426 3.165 1.00 33.12 H new ATOM 0 HG23 VAL A 56 6.993 -14.021 4.898 1.00 33.12 H new ATOM 915 N THR A 57 2.637 -12.063 2.713 1.00 73.25 N ATOM 916 CA THR A 57 1.268 -11.488 2.732 1.00 44.24 C ATOM 917 C THR A 57 0.190 -12.504 2.288 1.00 73.35 C ATOM 918 O THR A 57 0.314 -13.132 1.240 1.00 61.21 O ATOM 919 CB THR A 57 1.214 -10.239 1.792 1.00 43.01 C ATOM 920 OG1 THR A 57 1.755 -10.576 0.490 1.00 51.43 O ATOM 921 CG2 THR A 57 1.985 -9.042 2.369 1.00 72.21 C ATOM 0 H THR A 57 3.036 -12.148 1.778 1.00 73.25 H new ATOM 0 HA THR A 57 1.050 -11.207 3.762 1.00 44.24 H new ATOM 0 HB THR A 57 0.167 -9.949 1.702 1.00 43.01 H new ATOM 0 HG1 THR A 57 1.751 -11.549 0.376 1.00 51.43 H new ATOM 0 HG21 THR A 57 1.918 -8.200 1.680 1.00 72.21 H new ATOM 0 HG22 THR A 57 1.554 -8.760 3.330 1.00 72.21 H new ATOM 0 HG23 THR A 57 3.031 -9.315 2.507 1.00 72.21 H new ATOM 929 N SER A 58 -0.901 -12.609 3.066 1.00 63.22 N ATOM 930 CA SER A 58 -2.062 -13.473 2.735 1.00 42.31 C ATOM 931 C SER A 58 -3.382 -12.721 2.977 1.00 63.45 C ATOM 932 O SER A 58 -3.401 -11.655 3.603 1.00 24.23 O ATOM 933 CB SER A 58 -2.036 -14.776 3.576 1.00 34.34 C ATOM 934 OG SER A 58 -0.885 -15.570 3.294 1.00 32.43 O ATOM 0 H SER A 58 -1.009 -12.100 3.943 1.00 63.22 H new ATOM 0 HA SER A 58 -1.994 -13.737 1.680 1.00 42.31 H new ATOM 0 HB2 SER A 58 -2.052 -14.524 4.636 1.00 34.34 H new ATOM 0 HB3 SER A 58 -2.936 -15.357 3.373 1.00 34.34 H new ATOM 0 HG SER A 58 -1.099 -16.517 3.430 1.00 32.43 H new ATOM 940 N GLU A 59 -4.488 -13.288 2.480 1.00 32.32 N ATOM 941 CA GLU A 59 -5.842 -12.731 2.675 1.00 23.02 C ATOM 942 C GLU A 59 -6.779 -13.820 3.234 1.00 44.34 C ATOM 943 O GLU A 59 -6.957 -14.878 2.621 1.00 32.14 O ATOM 944 CB GLU A 59 -6.384 -12.156 1.337 1.00 2.23 C ATOM 945 CG GLU A 59 -7.743 -11.435 1.456 1.00 34.44 C ATOM 946 CD GLU A 59 -8.253 -10.877 0.118 1.00 31.45 C ATOM 947 OE1 GLU A 59 -7.873 -9.750 -0.252 1.00 21.15 O ATOM 948 OE2 GLU A 59 -9.034 -11.567 -0.570 1.00 53.15 O ATOM 0 H GLU A 59 -4.475 -14.147 1.930 1.00 32.32 H new ATOM 0 HA GLU A 59 -5.796 -11.915 3.396 1.00 23.02 H new ATOM 0 HB2 GLU A 59 -5.651 -11.458 0.932 1.00 2.23 H new ATOM 0 HB3 GLU A 59 -6.480 -12.970 0.618 1.00 2.23 H new ATOM 0 HG2 GLU A 59 -8.481 -12.129 1.857 1.00 34.44 H new ATOM 0 HG3 GLU A 59 -7.652 -10.618 2.172 1.00 34.44 H new ATOM 955 N VAL A 60 -7.383 -13.537 4.397 1.00 2.45 N ATOM 956 CA VAL A 60 -8.268 -14.474 5.112 1.00 22.13 C ATOM 957 C VAL A 60 -9.693 -13.899 5.168 1.00 51.30 C ATOM 958 O VAL A 60 -9.947 -12.917 5.878 1.00 11.51 O ATOM 959 CB VAL A 60 -7.741 -14.773 6.568 1.00 32.23 C ATOM 960 CG1 VAL A 60 -8.764 -15.589 7.413 1.00 42.43 C ATOM 961 CG2 VAL A 60 -6.388 -15.513 6.504 1.00 45.10 C ATOM 0 H VAL A 60 -7.271 -12.643 4.874 1.00 2.45 H new ATOM 0 HA VAL A 60 -8.277 -15.417 4.566 1.00 22.13 H new ATOM 0 HB VAL A 60 -7.606 -13.813 7.066 1.00 32.23 H new ATOM 0 HG11 VAL A 60 -8.354 -15.769 8.407 1.00 42.43 H new ATOM 0 HG12 VAL A 60 -9.694 -15.027 7.500 1.00 42.43 H new ATOM 0 HG13 VAL A 60 -8.961 -16.543 6.924 1.00 42.43 H new ATOM 0 HG21 VAL A 60 -6.035 -15.714 7.515 1.00 45.10 H new ATOM 0 HG22 VAL A 60 -6.513 -16.455 5.970 1.00 45.10 H new ATOM 0 HG23 VAL A 60 -5.659 -14.894 5.981 1.00 45.10 H new ATOM 971 N GLU A 61 -10.589 -14.525 4.384 1.00 20.21 N ATOM 972 CA GLU A 61 -12.050 -14.281 4.397 1.00 73.01 C ATOM 973 C GLU A 61 -12.433 -12.772 4.309 1.00 43.11 C ATOM 974 O GLU A 61 -13.246 -12.269 5.097 1.00 5.21 O ATOM 975 CB GLU A 61 -12.671 -14.970 5.643 1.00 40.02 C ATOM 976 CG GLU A 61 -12.254 -16.446 5.826 1.00 45.25 C ATOM 977 CD GLU A 61 -13.013 -17.161 6.953 1.00 31.54 C ATOM 978 OE1 GLU A 61 -14.164 -17.588 6.724 1.00 31.03 O ATOM 979 OE2 GLU A 61 -12.470 -17.293 8.072 1.00 50.33 O ATOM 0 H GLU A 61 -10.314 -15.234 3.704 1.00 20.21 H new ATOM 0 HA GLU A 61 -12.468 -14.722 3.492 1.00 73.01 H new ATOM 0 HB2 GLU A 61 -12.385 -14.411 6.534 1.00 40.02 H new ATOM 0 HB3 GLU A 61 -13.757 -14.918 5.569 1.00 40.02 H new ATOM 0 HG2 GLU A 61 -12.420 -16.981 4.891 1.00 45.25 H new ATOM 0 HG3 GLU A 61 -11.185 -16.490 6.034 1.00 45.25 H new ATOM 986 N GLY A 62 -11.836 -12.070 3.325 1.00 1.50 N ATOM 987 CA GLY A 62 -12.119 -10.641 3.081 1.00 24.53 C ATOM 988 C GLY A 62 -11.103 -9.662 3.695 1.00 11.42 C ATOM 989 O GLY A 62 -10.979 -8.526 3.225 1.00 21.54 O ATOM 0 H GLY A 62 -11.152 -12.472 2.684 1.00 1.50 H new ATOM 0 HA2 GLY A 62 -12.158 -10.473 2.005 1.00 24.53 H new ATOM 0 HA3 GLY A 62 -13.108 -10.410 3.476 1.00 24.53 H new ATOM 993 N GLU A 63 -10.368 -10.096 4.738 1.00 65.15 N ATOM 994 CA GLU A 63 -9.421 -9.219 5.478 1.00 32.11 C ATOM 995 C GLU A 63 -7.946 -9.576 5.172 1.00 65.04 C ATOM 996 O GLU A 63 -7.638 -10.697 4.777 1.00 53.31 O ATOM 997 CB GLU A 63 -9.688 -9.330 7.004 1.00 41.42 C ATOM 998 CG GLU A 63 -9.026 -8.227 7.856 1.00 42.42 C ATOM 999 CD GLU A 63 -9.379 -8.323 9.346 1.00 72.22 C ATOM 1000 OE1 GLU A 63 -10.585 -8.325 9.675 1.00 4.54 O ATOM 1001 OE2 GLU A 63 -8.464 -8.413 10.188 1.00 54.21 O ATOM 0 H GLU A 63 -10.408 -11.051 5.093 1.00 65.15 H new ATOM 0 HA GLU A 63 -9.587 -8.194 5.147 1.00 32.11 H new ATOM 0 HB2 GLU A 63 -10.764 -9.304 7.174 1.00 41.42 H new ATOM 0 HB3 GLU A 63 -9.334 -10.300 7.351 1.00 41.42 H new ATOM 0 HG2 GLU A 63 -7.944 -8.288 7.741 1.00 42.42 H new ATOM 0 HG3 GLU A 63 -9.333 -7.252 7.478 1.00 42.42 H new ATOM 1008 N ILE A 64 -7.040 -8.601 5.380 1.00 24.51 N ATOM 1009 CA ILE A 64 -5.586 -8.791 5.200 1.00 61.53 C ATOM 1010 C ILE A 64 -4.948 -9.447 6.462 1.00 14.31 C ATOM 1011 O ILE A 64 -5.103 -8.950 7.577 1.00 32.34 O ATOM 1012 CB ILE A 64 -4.889 -7.414 4.889 1.00 4.42 C ATOM 1013 CG1 ILE A 64 -5.554 -6.737 3.644 1.00 63.52 C ATOM 1014 CG2 ILE A 64 -3.368 -7.593 4.669 1.00 34.12 C ATOM 1015 CD1 ILE A 64 -4.951 -5.400 3.234 1.00 3.21 C ATOM 0 H ILE A 64 -7.295 -7.659 5.678 1.00 24.51 H new ATOM 0 HA ILE A 64 -5.434 -9.462 4.355 1.00 61.53 H new ATOM 0 HB ILE A 64 -5.024 -6.763 5.753 1.00 4.42 H new ATOM 0 HG12 ILE A 64 -5.487 -7.422 2.799 1.00 63.52 H new ATOM 0 HG13 ILE A 64 -6.614 -6.591 3.853 1.00 63.52 H new ATOM 0 HG21 ILE A 64 -2.915 -6.625 4.456 1.00 34.12 H new ATOM 0 HG22 ILE A 64 -2.918 -8.015 5.567 1.00 34.12 H new ATOM 0 HG23 ILE A 64 -3.199 -8.266 3.828 1.00 34.12 H new ATOM 0 HD11 ILE A 64 -5.481 -5.014 2.363 1.00 3.21 H new ATOM 0 HD12 ILE A 64 -5.042 -4.692 4.058 1.00 3.21 H new ATOM 0 HD13 ILE A 64 -3.898 -5.536 2.987 1.00 3.21 H new ATOM 1027 N PHE A 65 -4.239 -10.576 6.261 1.00 51.34 N ATOM 1028 CA PHE A 65 -3.502 -11.296 7.328 1.00 75.44 C ATOM 1029 C PHE A 65 -2.021 -11.457 6.912 1.00 1.41 C ATOM 1030 O PHE A 65 -1.697 -12.282 6.047 1.00 20.13 O ATOM 1031 CB PHE A 65 -4.174 -12.679 7.582 1.00 1.22 C ATOM 1032 CG PHE A 65 -3.459 -13.589 8.590 1.00 12.13 C ATOM 1033 CD1 PHE A 65 -3.198 -13.153 9.884 1.00 72.53 C ATOM 1034 CD2 PHE A 65 -3.053 -14.879 8.243 1.00 3.41 C ATOM 1035 CE1 PHE A 65 -2.558 -13.967 10.797 1.00 52.32 C ATOM 1036 CE2 PHE A 65 -2.415 -15.692 9.162 1.00 72.43 C ATOM 1037 CZ PHE A 65 -2.168 -15.235 10.438 1.00 43.41 C ATOM 0 H PHE A 65 -4.159 -11.020 5.346 1.00 51.34 H new ATOM 0 HA PHE A 65 -3.535 -10.726 8.257 1.00 75.44 H new ATOM 0 HB2 PHE A 65 -5.192 -12.509 7.932 1.00 1.22 H new ATOM 0 HB3 PHE A 65 -4.247 -13.207 6.631 1.00 1.22 H new ATOM 0 HD1 PHE A 65 -3.501 -12.160 10.180 1.00 72.53 H new ATOM 0 HD2 PHE A 65 -3.239 -15.246 7.245 1.00 3.41 H new ATOM 0 HE1 PHE A 65 -2.363 -13.606 11.796 1.00 52.32 H new ATOM 0 HE2 PHE A 65 -2.109 -16.688 8.878 1.00 72.43 H new ATOM 0 HZ PHE A 65 -1.669 -15.871 11.154 1.00 43.41 H new ATOM 1047 N VAL A 66 -1.120 -10.647 7.503 1.00 71.05 N ATOM 1048 CA VAL A 66 0.309 -10.629 7.100 1.00 12.33 C ATOM 1049 C VAL A 66 1.232 -11.274 8.157 1.00 43.52 C ATOM 1050 O VAL A 66 1.081 -11.073 9.367 1.00 62.02 O ATOM 1051 CB VAL A 66 0.817 -9.184 6.746 1.00 2.11 C ATOM 1052 CG1 VAL A 66 0.011 -8.608 5.567 1.00 31.21 C ATOM 1053 CG2 VAL A 66 0.781 -8.231 7.962 1.00 44.34 C ATOM 0 H VAL A 66 -1.350 -9.999 8.256 1.00 71.05 H new ATOM 0 HA VAL A 66 0.361 -11.235 6.195 1.00 12.33 H new ATOM 0 HB VAL A 66 1.862 -9.270 6.450 1.00 2.11 H new ATOM 0 HG11 VAL A 66 0.374 -7.607 5.333 1.00 31.21 H new ATOM 0 HG12 VAL A 66 0.132 -9.251 4.695 1.00 31.21 H new ATOM 0 HG13 VAL A 66 -1.044 -8.558 5.837 1.00 31.21 H new ATOM 0 HG21 VAL A 66 1.142 -7.247 7.664 1.00 44.34 H new ATOM 0 HG22 VAL A 66 -0.242 -8.147 8.328 1.00 44.34 H new ATOM 0 HG23 VAL A 66 1.418 -8.626 8.753 1.00 44.34 H new ATOM 1063 N LYS A 67 2.185 -12.067 7.646 1.00 33.50 N ATOM 1064 CA LYS A 67 3.166 -12.840 8.439 1.00 63.14 C ATOM 1065 C LYS A 67 4.567 -12.254 8.181 1.00 12.05 C ATOM 1066 O LYS A 67 4.705 -11.321 7.390 1.00 52.33 O ATOM 1067 CB LYS A 67 3.135 -14.356 8.032 1.00 61.01 C ATOM 1068 CG LYS A 67 1.846 -15.142 8.380 1.00 71.13 C ATOM 1069 CD LYS A 67 0.589 -14.673 7.612 1.00 14.31 C ATOM 1070 CE LYS A 67 0.688 -14.855 6.087 1.00 32.12 C ATOM 1071 NZ LYS A 67 0.697 -16.282 5.682 1.00 75.10 N ATOM 0 H LYS A 67 2.302 -12.195 6.641 1.00 33.50 H new ATOM 0 HA LYS A 67 2.917 -12.771 9.498 1.00 63.14 H new ATOM 0 HB2 LYS A 67 3.295 -14.423 6.956 1.00 61.01 H new ATOM 0 HB3 LYS A 67 3.978 -14.855 8.511 1.00 61.01 H new ATOM 0 HG2 LYS A 67 2.011 -16.199 8.172 1.00 71.13 H new ATOM 0 HG3 LYS A 67 1.658 -15.053 9.450 1.00 71.13 H new ATOM 0 HD2 LYS A 67 -0.276 -15.225 7.979 1.00 14.31 H new ATOM 0 HD3 LYS A 67 0.412 -13.620 7.832 1.00 14.31 H new ATOM 0 HE2 LYS A 67 -0.152 -14.351 5.609 1.00 32.12 H new ATOM 0 HE3 LYS A 67 1.596 -14.373 5.726 1.00 32.12 H new ATOM 0 HZ1 LYS A 67 0.267 -16.378 4.740 1.00 75.10 H new ATOM 0 HZ2 LYS A 67 1.677 -16.628 5.652 1.00 75.10 H new ATOM 0 HZ3 LYS A 67 0.153 -16.841 6.370 1.00 75.10 H new ATOM 1085 N LEU A 68 5.617 -12.801 8.818 1.00 4.41 N ATOM 1086 CA LEU A 68 7.008 -12.336 8.570 1.00 53.02 C ATOM 1087 C LEU A 68 7.830 -13.366 7.780 1.00 20.44 C ATOM 1088 O LEU A 68 7.608 -14.577 7.888 1.00 70.33 O ATOM 1089 CB LEU A 68 7.740 -12.012 9.899 1.00 41.14 C ATOM 1090 CG LEU A 68 7.148 -10.848 10.746 1.00 1.14 C ATOM 1091 CD1 LEU A 68 8.048 -10.548 11.953 1.00 2.32 C ATOM 1092 CD2 LEU A 68 6.935 -9.579 9.898 1.00 75.44 C ATOM 0 H LEU A 68 5.540 -13.555 9.500 1.00 4.41 H new ATOM 0 HA LEU A 68 6.924 -11.428 7.973 1.00 53.02 H new ATOM 0 HB2 LEU A 68 7.748 -12.912 10.513 1.00 41.14 H new ATOM 0 HB3 LEU A 68 8.778 -11.774 9.668 1.00 41.14 H new ATOM 0 HG LEU A 68 6.171 -11.168 11.109 1.00 1.14 H new ATOM 0 HD11 LEU A 68 7.618 -9.732 12.533 1.00 2.32 H new ATOM 0 HD12 LEU A 68 8.125 -11.437 12.579 1.00 2.32 H new ATOM 0 HD13 LEU A 68 9.041 -10.262 11.605 1.00 2.32 H new ATOM 0 HD21 LEU A 68 6.521 -8.789 10.524 1.00 75.44 H new ATOM 0 HD22 LEU A 68 7.890 -9.252 9.486 1.00 75.44 H new ATOM 0 HD23 LEU A 68 6.244 -9.797 9.084 1.00 75.44 H new ATOM 1104 N VAL A 69 8.781 -12.860 6.978 1.00 13.23 N ATOM 1105 CA VAL A 69 9.888 -13.674 6.462 1.00 53.13 C ATOM 1106 C VAL A 69 10.839 -13.995 7.640 1.00 73.14 C ATOM 1107 O VAL A 69 11.608 -13.137 8.087 1.00 43.12 O ATOM 1108 CB VAL A 69 10.663 -12.933 5.308 1.00 52.31 C ATOM 1109 CG1 VAL A 69 11.879 -13.757 4.816 1.00 61.42 C ATOM 1110 CG2 VAL A 69 9.716 -12.591 4.134 1.00 24.52 C ATOM 0 H VAL A 69 8.803 -11.887 6.673 1.00 13.23 H new ATOM 0 HA VAL A 69 9.491 -14.595 6.034 1.00 53.13 H new ATOM 0 HB VAL A 69 11.045 -11.999 5.720 1.00 52.31 H new ATOM 0 HG11 VAL A 69 12.389 -13.214 4.020 1.00 61.42 H new ATOM 0 HG12 VAL A 69 12.569 -13.918 5.645 1.00 61.42 H new ATOM 0 HG13 VAL A 69 11.537 -14.720 4.437 1.00 61.42 H new ATOM 0 HG21 VAL A 69 10.277 -12.080 3.351 1.00 24.52 H new ATOM 0 HG22 VAL A 69 9.287 -13.509 3.733 1.00 24.52 H new ATOM 0 HG23 VAL A 69 8.916 -11.942 4.489 1.00 24.52 H new ATOM 1120 N LEU A 70 10.725 -15.224 8.170 1.00 61.21 N ATOM 1121 CA LEU A 70 11.493 -15.686 9.351 1.00 50.24 C ATOM 1122 C LEU A 70 13.010 -15.770 9.058 1.00 33.14 C ATOM 1123 O LEU A 70 13.829 -15.792 9.977 1.00 4.14 O ATOM 1124 CB LEU A 70 10.943 -17.058 9.810 1.00 24.50 C ATOM 1125 CG LEU A 70 9.431 -17.077 10.214 1.00 12.11 C ATOM 1126 CD1 LEU A 70 8.975 -18.503 10.576 1.00 3.34 C ATOM 1127 CD2 LEU A 70 9.146 -16.084 11.366 1.00 50.31 C ATOM 0 H LEU A 70 10.096 -15.933 7.793 1.00 61.21 H new ATOM 0 HA LEU A 70 11.369 -14.956 10.151 1.00 50.24 H new ATOM 0 HB2 LEU A 70 11.095 -17.778 9.006 1.00 24.50 H new ATOM 0 HB3 LEU A 70 11.533 -17.400 10.661 1.00 24.50 H new ATOM 0 HG LEU A 70 8.850 -16.752 9.351 1.00 12.11 H new ATOM 0 HD11 LEU A 70 7.921 -18.489 10.853 1.00 3.34 H new ATOM 0 HD12 LEU A 70 9.116 -19.159 9.717 1.00 3.34 H new ATOM 0 HD13 LEU A 70 9.565 -18.872 11.415 1.00 3.34 H new ATOM 0 HD21 LEU A 70 8.088 -16.120 11.624 1.00 50.31 H new ATOM 0 HD22 LEU A 70 9.741 -16.357 12.237 1.00 50.31 H new ATOM 0 HD23 LEU A 70 9.408 -15.074 11.049 1.00 50.31 H new ATOM 1139 N GLU A 71 13.357 -15.840 7.765 1.00 72.11 N ATOM 1140 CA GLU A 71 14.741 -15.690 7.287 1.00 74.41 C ATOM 1141 C GLU A 71 15.218 -14.233 7.531 1.00 24.31 C ATOM 1142 O GLU A 71 14.825 -13.309 6.803 1.00 14.53 O ATOM 1143 CB GLU A 71 14.788 -16.053 5.782 1.00 34.42 C ATOM 1144 CG GLU A 71 16.186 -16.046 5.136 1.00 23.22 C ATOM 1145 CD GLU A 71 16.135 -16.236 3.610 1.00 22.34 C ATOM 1146 OE1 GLU A 71 15.613 -17.275 3.149 1.00 12.10 O ATOM 1147 OE2 GLU A 71 16.591 -15.342 2.864 1.00 34.12 O ATOM 0 H GLU A 71 12.683 -16.003 7.017 1.00 72.11 H new ATOM 0 HA GLU A 71 15.409 -16.358 7.830 1.00 74.41 H new ATOM 0 HB2 GLU A 71 14.353 -17.044 5.653 1.00 34.42 H new ATOM 0 HB3 GLU A 71 14.153 -15.353 5.238 1.00 34.42 H new ATOM 0 HG2 GLU A 71 16.683 -15.103 5.364 1.00 23.22 H new ATOM 0 HG3 GLU A 71 16.790 -16.839 5.577 1.00 23.22 H new ATOM 1154 N HIS A 72 16.029 -14.023 8.590 1.00 31.41 N ATOM 1155 CA HIS A 72 16.421 -12.661 9.043 1.00 62.22 C ATOM 1156 C HIS A 72 17.952 -12.469 9.099 1.00 3.11 C ATOM 1157 O HIS A 72 18.701 -13.391 9.429 1.00 33.11 O ATOM 1158 CB HIS A 72 15.788 -12.337 10.427 1.00 4.21 C ATOM 1159 CG HIS A 72 16.154 -13.283 11.545 1.00 42.53 C ATOM 1160 ND1 HIS A 72 17.406 -13.323 12.128 1.00 43.12 N ATOM 1161 CD2 HIS A 72 15.422 -14.225 12.192 1.00 53.12 C ATOM 1162 CE1 HIS A 72 17.428 -14.243 13.071 1.00 73.43 C ATOM 1163 NE2 HIS A 72 16.241 -14.803 13.130 1.00 3.51 N ATOM 0 H HIS A 72 16.428 -14.776 9.151 1.00 31.41 H new ATOM 0 HA HIS A 72 16.036 -11.963 8.299 1.00 62.22 H new ATOM 0 HB2 HIS A 72 16.084 -11.329 10.716 1.00 4.21 H new ATOM 0 HB3 HIS A 72 14.703 -12.332 10.319 1.00 4.21 H new ATOM 0 HD2 HIS A 72 14.388 -14.474 12.004 1.00 53.12 H new ATOM 0 HE1 HIS A 72 18.277 -14.494 13.690 1.00 73.43 H new ATOM 0 HE2 HIS A 72 15.971 -15.549 13.771 1.00 3.51 H new ATOM 1172 N HIS A 73 18.396 -11.247 8.758 1.00 74.41 N ATOM 1173 CA HIS A 73 19.789 -10.784 8.962 1.00 32.31 C ATOM 1174 C HIS A 73 19.842 -9.641 10.010 1.00 44.44 C ATOM 1175 O HIS A 73 20.918 -9.272 10.486 1.00 23.31 O ATOM 1176 CB HIS A 73 20.399 -10.327 7.619 1.00 62.42 C ATOM 1177 CG HIS A 73 20.552 -11.439 6.610 1.00 33.13 C ATOM 1178 ND1 HIS A 73 21.645 -12.278 6.578 1.00 60.34 N ATOM 1179 CD2 HIS A 73 19.737 -11.860 5.609 1.00 64.54 C ATOM 1180 CE1 HIS A 73 21.501 -13.159 5.610 1.00 43.32 C ATOM 1181 NE2 HIS A 73 20.354 -12.930 5.010 1.00 12.53 N ATOM 0 H HIS A 73 17.796 -10.543 8.329 1.00 74.41 H new ATOM 0 HA HIS A 73 20.379 -11.616 9.346 1.00 32.31 H new ATOM 0 HB2 HIS A 73 19.770 -9.546 7.192 1.00 62.42 H new ATOM 0 HB3 HIS A 73 21.376 -9.882 7.807 1.00 62.42 H new ATOM 0 HD2 HIS A 73 18.783 -11.433 5.336 1.00 64.54 H new ATOM 0 HE1 HIS A 73 22.205 -13.937 5.353 1.00 43.32 H new ATOM 0 HE2 HIS A 73 19.982 -13.463 4.224 1.00 12.53 H new ATOM 1190 N HIS A 74 18.664 -9.081 10.340 1.00 53.21 N ATOM 1191 CA HIS A 74 18.492 -8.074 11.412 1.00 33.43 C ATOM 1192 C HIS A 74 17.639 -8.639 12.572 1.00 71.53 C ATOM 1193 O HIS A 74 16.886 -9.606 12.394 1.00 23.54 O ATOM 1194 CB HIS A 74 17.847 -6.780 10.837 1.00 70.14 C ATOM 1195 CG HIS A 74 18.826 -5.845 10.168 1.00 54.14 C ATOM 1196 ND1 HIS A 74 19.438 -6.117 8.965 1.00 55.31 N ATOM 1197 CD2 HIS A 74 19.324 -4.652 10.570 1.00 0.10 C ATOM 1198 CE1 HIS A 74 20.271 -5.140 8.663 1.00 12.04 C ATOM 1199 NE2 HIS A 74 20.219 -4.240 9.617 1.00 13.13 N ATOM 0 H HIS A 74 17.792 -9.316 9.866 1.00 53.21 H new ATOM 0 HA HIS A 74 19.476 -7.827 11.810 1.00 33.43 H new ATOM 0 HB2 HIS A 74 17.079 -7.060 10.116 1.00 70.14 H new ATOM 0 HB3 HIS A 74 17.347 -6.247 11.645 1.00 70.14 H new ATOM 0 HD2 HIS A 74 19.064 -4.123 11.475 1.00 0.10 H new ATOM 0 HE1 HIS A 74 20.891 -5.089 7.780 1.00 12.04 H new ATOM 0 HE2 HIS A 74 20.757 -3.374 9.645 1.00 13.13 H new ATOM 1208 N HIS A 75 17.759 -8.012 13.761 1.00 13.25 N ATOM 1209 CA HIS A 75 17.014 -8.428 14.977 1.00 33.34 C ATOM 1210 C HIS A 75 15.934 -7.389 15.378 1.00 54.12 C ATOM 1211 O HIS A 75 15.817 -6.319 14.771 1.00 20.41 O ATOM 1212 CB HIS A 75 17.989 -8.681 16.161 1.00 34.14 C ATOM 1213 CG HIS A 75 18.673 -7.443 16.687 1.00 24.51 C ATOM 1214 ND1 HIS A 75 18.161 -6.676 17.713 1.00 1.41 N ATOM 1215 CD2 HIS A 75 19.822 -6.832 16.318 1.00 34.01 C ATOM 1216 CE1 HIS A 75 18.957 -5.655 17.946 1.00 10.53 C ATOM 1217 NE2 HIS A 75 19.974 -5.723 17.116 1.00 61.41 N ATOM 0 H HIS A 75 18.369 -7.208 13.909 1.00 13.25 H new ATOM 0 HA HIS A 75 16.502 -9.360 14.738 1.00 33.34 H new ATOM 0 HB2 HIS A 75 17.437 -9.149 16.976 1.00 34.14 H new ATOM 0 HB3 HIS A 75 18.750 -9.393 15.842 1.00 34.14 H new ATOM 0 HD1 HIS A 75 17.295 -6.871 18.216 1.00 1.41 H new ATOM 0 HD2 HIS A 75 20.496 -7.156 15.539 1.00 34.01 H new ATOM 0 HE1 HIS A 75 18.801 -4.890 18.693 1.00 10.53 H new ATOM 1226 N HIS A 76 15.166 -7.730 16.425 1.00 32.11 N ATOM 1227 CA HIS A 76 14.102 -6.870 16.987 1.00 2.44 C ATOM 1228 C HIS A 76 14.667 -5.806 17.960 1.00 65.10 C ATOM 1229 O HIS A 76 15.517 -6.110 18.802 1.00 43.23 O ATOM 1230 CB HIS A 76 13.083 -7.770 17.717 1.00 42.40 C ATOM 1231 CG HIS A 76 11.941 -7.053 18.392 1.00 14.33 C ATOM 1232 ND1 HIS A 76 10.911 -6.465 17.698 1.00 15.32 N ATOM 1233 CD2 HIS A 76 11.655 -6.860 19.705 1.00 31.24 C ATOM 1234 CE1 HIS A 76 10.048 -5.947 18.546 1.00 61.23 C ATOM 1235 NE2 HIS A 76 10.471 -6.171 19.766 1.00 32.04 N ATOM 0 H HIS A 76 15.264 -8.620 16.914 1.00 32.11 H new ATOM 0 HA HIS A 76 13.622 -6.330 16.171 1.00 2.44 H new ATOM 0 HB2 HIS A 76 12.669 -8.476 16.997 1.00 42.40 H new ATOM 0 HB3 HIS A 76 13.615 -8.354 18.468 1.00 42.40 H new ATOM 0 HD1 HIS A 76 10.828 -6.435 16.682 1.00 15.32 H new ATOM 0 HD2 HIS A 76 12.249 -7.188 20.545 1.00 31.24 H new ATOM 0 HE1 HIS A 76 9.141 -5.424 18.280 1.00 61.23 H new ATOM 1244 N HIS A 77 14.171 -4.564 17.848 1.00 60.34 N ATOM 1245 CA HIS A 77 14.528 -3.468 18.775 1.00 13.31 C ATOM 1246 C HIS A 77 13.509 -3.399 19.944 1.00 53.54 C ATOM 1247 O HIS A 77 13.857 -3.610 21.112 1.00 52.22 O ATOM 1248 CB HIS A 77 14.586 -2.123 17.999 1.00 70.11 C ATOM 1249 CG HIS A 77 14.887 -0.911 18.849 1.00 41.22 C ATOM 1250 ND1 HIS A 77 14.005 0.140 18.997 1.00 4.55 N ATOM 1251 CD2 HIS A 77 15.976 -0.579 19.587 1.00 74.10 C ATOM 1252 CE1 HIS A 77 14.533 1.057 19.776 1.00 60.04 C ATOM 1253 NE2 HIS A 77 15.724 0.649 20.150 1.00 41.44 N ATOM 0 H HIS A 77 13.514 -4.288 17.118 1.00 60.34 H new ATOM 0 HA HIS A 77 15.512 -3.661 19.202 1.00 13.31 H new ATOM 0 HB2 HIS A 77 15.346 -2.201 17.222 1.00 70.11 H new ATOM 0 HB3 HIS A 77 13.631 -1.968 17.497 1.00 70.11 H new ATOM 0 HD2 HIS A 77 16.872 -1.169 19.709 1.00 74.10 H new ATOM 0 HE1 HIS A 77 14.067 1.989 20.061 1.00 60.04 H new ATOM 0 HE2 HIS A 77 16.360 1.162 20.761 1.00 41.44 H new TER 1262 HIS A 77 ATOM 1263 N MET B 1 2.936 -15.976 -7.318 1.00 64.10 N ATOM 1264 CA MET B 1 2.001 -15.878 -8.444 1.00 50.41 C ATOM 1265 C MET B 1 0.636 -15.338 -7.972 1.00 53.32 C ATOM 1266 O MET B 1 0.076 -14.413 -8.569 1.00 33.01 O ATOM 1267 CB MET B 1 1.839 -17.254 -9.138 1.00 35.40 C ATOM 1268 CG MET B 1 3.154 -17.839 -9.674 1.00 50.24 C ATOM 1269 SD MET B 1 3.977 -16.753 -10.866 1.00 44.44 S ATOM 1270 CE MET B 1 2.805 -16.725 -12.230 1.00 73.03 C ATOM 0 H1 MET B 1 3.891 -16.177 -7.677 1.00 64.10 H new ATOM 0 H2 MET B 1 2.945 -15.077 -6.795 1.00 64.10 H new ATOM 0 H3 MET B 1 2.636 -16.743 -6.683 1.00 64.10 H new ATOM 0 HA MET B 1 2.410 -15.176 -9.171 1.00 50.41 H new ATOM 0 HB2 MET B 1 1.402 -17.958 -8.430 1.00 35.40 H new ATOM 0 HB3 MET B 1 1.134 -17.153 -9.964 1.00 35.40 H new ATOM 0 HG2 MET B 1 3.828 -18.029 -8.839 1.00 50.24 H new ATOM 0 HG3 MET B 1 2.952 -18.801 -10.146 1.00 50.24 H new ATOM 0 HE1 MET B 1 3.257 -16.227 -13.088 1.00 73.03 H new ATOM 0 HE2 MET B 1 2.539 -17.746 -12.502 1.00 73.03 H new ATOM 0 HE3 MET B 1 1.908 -16.184 -11.928 1.00 73.03 H new ATOM 1280 N LYS B 2 0.107 -15.933 -6.891 1.00 3.10 N ATOM 1281 CA LYS B 2 -1.161 -15.487 -6.255 1.00 55.41 C ATOM 1282 C LYS B 2 -0.891 -14.643 -4.983 1.00 65.31 C ATOM 1283 O LYS B 2 -1.826 -14.125 -4.363 1.00 2.22 O ATOM 1284 CB LYS B 2 -2.058 -16.709 -5.926 1.00 0.05 C ATOM 1285 CG LYS B 2 -2.541 -17.486 -7.174 1.00 24.13 C ATOM 1286 CD LYS B 2 -3.460 -18.675 -6.819 1.00 73.01 C ATOM 1287 CE LYS B 2 -3.971 -19.425 -8.062 1.00 52.31 C ATOM 1288 NZ LYS B 2 -4.774 -20.615 -7.691 1.00 70.41 N ATOM 0 H LYS B 2 0.537 -16.734 -6.429 1.00 3.10 H new ATOM 0 HA LYS B 2 -1.688 -14.849 -6.965 1.00 55.41 H new ATOM 0 HB2 LYS B 2 -1.505 -17.389 -5.278 1.00 0.05 H new ATOM 0 HB3 LYS B 2 -2.927 -16.368 -5.363 1.00 0.05 H new ATOM 0 HG2 LYS B 2 -3.075 -16.805 -7.836 1.00 24.13 H new ATOM 0 HG3 LYS B 2 -1.675 -17.853 -7.725 1.00 24.13 H new ATOM 0 HD2 LYS B 2 -2.917 -19.370 -6.179 1.00 73.01 H new ATOM 0 HD3 LYS B 2 -4.312 -18.311 -6.244 1.00 73.01 H new ATOM 0 HE2 LYS B 2 -4.576 -18.752 -8.670 1.00 52.31 H new ATOM 0 HE3 LYS B 2 -3.124 -19.734 -8.675 1.00 52.31 H new ATOM 0 HZ1 LYS B 2 -5.102 -21.095 -8.553 1.00 70.41 H new ATOM 0 HZ2 LYS B 2 -4.189 -21.268 -7.132 1.00 70.41 H new ATOM 0 HZ3 LYS B 2 -5.596 -20.317 -7.127 1.00 70.41 H new ATOM 1302 N MET B 3 0.398 -14.517 -4.618 1.00 14.11 N ATOM 1303 CA MET B 3 0.865 -13.711 -3.464 1.00 62.21 C ATOM 1304 C MET B 3 0.503 -12.210 -3.621 1.00 40.15 C ATOM 1305 O MET B 3 0.574 -11.666 -4.729 1.00 61.43 O ATOM 1306 CB MET B 3 2.404 -13.892 -3.339 1.00 3.43 C ATOM 1307 CG MET B 3 3.068 -13.198 -2.144 1.00 70.23 C ATOM 1308 SD MET B 3 2.388 -13.673 -0.546 1.00 23.32 S ATOM 1309 CE MET B 3 2.710 -15.438 -0.488 1.00 62.21 C ATOM 0 H MET B 3 1.158 -14.976 -5.120 1.00 14.11 H new ATOM 0 HA MET B 3 0.365 -14.059 -2.560 1.00 62.21 H new ATOM 0 HB2 MET B 3 2.621 -14.959 -3.281 1.00 3.43 H new ATOM 0 HB3 MET B 3 2.869 -13.522 -4.253 1.00 3.43 H new ATOM 0 HG2 MET B 3 4.135 -13.423 -2.154 1.00 70.23 H new ATOM 0 HG3 MET B 3 2.968 -12.119 -2.263 1.00 70.23 H new ATOM 0 HE1 MET B 3 2.484 -15.817 0.509 1.00 62.21 H new ATOM 0 HE2 MET B 3 2.083 -15.946 -1.220 1.00 62.21 H new ATOM 0 HE3 MET B 3 3.759 -15.624 -0.717 1.00 62.21 H new ATOM 1319 N LEU B 4 0.119 -11.546 -2.504 1.00 43.41 N ATOM 1320 CA LEU B 4 -0.238 -10.100 -2.523 1.00 65.32 C ATOM 1321 C LEU B 4 0.973 -9.203 -2.922 1.00 10.34 C ATOM 1322 O LEU B 4 0.796 -8.097 -3.437 1.00 44.14 O ATOM 1323 CB LEU B 4 -0.851 -9.655 -1.176 1.00 1.24 C ATOM 1324 CG LEU B 4 -2.142 -10.415 -0.718 1.00 21.44 C ATOM 1325 CD1 LEU B 4 -2.652 -9.868 0.632 1.00 2.42 C ATOM 1326 CD2 LEU B 4 -3.247 -10.363 -1.800 1.00 31.32 C ATOM 0 H LEU B 4 0.048 -11.981 -1.584 1.00 43.41 H new ATOM 0 HA LEU B 4 -0.998 -9.968 -3.293 1.00 65.32 H new ATOM 0 HB2 LEU B 4 -0.093 -9.769 -0.401 1.00 1.24 H new ATOM 0 HB3 LEU B 4 -1.084 -8.592 -1.240 1.00 1.24 H new ATOM 0 HG LEU B 4 -1.877 -11.463 -0.578 1.00 21.44 H new ATOM 0 HD11 LEU B 4 -3.549 -10.411 0.929 1.00 2.42 H new ATOM 0 HD12 LEU B 4 -1.881 -9.997 1.392 1.00 2.42 H new ATOM 0 HD13 LEU B 4 -2.887 -8.808 0.530 1.00 2.42 H new ATOM 0 HD21 LEU B 4 -4.127 -10.900 -1.447 1.00 31.32 H new ATOM 0 HD22 LEU B 4 -3.512 -9.325 -2.000 1.00 31.32 H new ATOM 0 HD23 LEU B 4 -2.881 -10.827 -2.716 1.00 31.32 H new ATOM 1338 N LYS B 5 2.193 -9.730 -2.695 1.00 71.21 N ATOM 1339 CA LYS B 5 3.467 -9.145 -3.188 1.00 62.41 C ATOM 1340 C LYS B 5 3.510 -9.114 -4.742 1.00 31.24 C ATOM 1341 O LYS B 5 3.918 -8.119 -5.348 1.00 42.55 O ATOM 1342 CB LYS B 5 4.646 -10.008 -2.655 1.00 61.32 C ATOM 1343 CG LYS B 5 6.068 -9.531 -3.020 1.00 62.32 C ATOM 1344 CD LYS B 5 6.491 -8.247 -2.278 1.00 13.13 C ATOM 1345 CE LYS B 5 7.935 -7.836 -2.612 1.00 51.33 C ATOM 1346 NZ LYS B 5 8.901 -8.948 -2.410 1.00 21.23 N ATOM 0 H LYS B 5 2.328 -10.586 -2.157 1.00 71.21 H new ATOM 0 HA LYS B 5 3.546 -8.119 -2.829 1.00 62.41 H new ATOM 0 HB2 LYS B 5 4.570 -10.055 -1.569 1.00 61.32 H new ATOM 0 HB3 LYS B 5 4.521 -11.025 -3.028 1.00 61.32 H new ATOM 0 HG2 LYS B 5 6.779 -10.325 -2.792 1.00 62.32 H new ATOM 0 HG3 LYS B 5 6.120 -9.355 -4.094 1.00 62.32 H new ATOM 0 HD2 LYS B 5 5.813 -7.436 -2.543 1.00 13.13 H new ATOM 0 HD3 LYS B 5 6.398 -8.402 -1.203 1.00 13.13 H new ATOM 0 HE2 LYS B 5 7.984 -7.499 -3.648 1.00 51.33 H new ATOM 0 HE3 LYS B 5 8.223 -6.990 -1.988 1.00 51.33 H new ATOM 0 HZ1 LYS B 5 9.869 -8.600 -2.566 1.00 21.23 H new ATOM 0 HZ2 LYS B 5 8.815 -9.310 -1.439 1.00 21.23 H new ATOM 0 HZ3 LYS B 5 8.696 -9.713 -3.084 1.00 21.23 H new ATOM 1360 N GLU B 6 3.076 -10.226 -5.370 1.00 65.20 N ATOM 1361 CA GLU B 6 3.130 -10.399 -6.839 1.00 0.31 C ATOM 1362 C GLU B 6 2.042 -9.561 -7.556 1.00 31.13 C ATOM 1363 O GLU B 6 2.340 -8.861 -8.530 1.00 33.22 O ATOM 1364 CB GLU B 6 3.003 -11.900 -7.218 1.00 62.43 C ATOM 1365 CG GLU B 6 3.064 -12.209 -8.738 1.00 15.43 C ATOM 1366 CD GLU B 6 4.369 -11.747 -9.419 1.00 34.13 C ATOM 1367 OE1 GLU B 6 5.403 -12.429 -9.274 1.00 31.24 O ATOM 1368 OE2 GLU B 6 4.368 -10.690 -10.087 1.00 61.43 O ATOM 0 H GLU B 6 2.680 -11.026 -4.877 1.00 65.20 H new ATOM 0 HA GLU B 6 4.100 -10.034 -7.177 1.00 0.31 H new ATOM 0 HB2 GLU B 6 3.800 -12.452 -6.720 1.00 62.43 H new ATOM 0 HB3 GLU B 6 2.059 -12.278 -6.825 1.00 62.43 H new ATOM 0 HG2 GLU B 6 2.950 -13.283 -8.885 1.00 15.43 H new ATOM 0 HG3 GLU B 6 2.219 -11.728 -9.231 1.00 15.43 H new ATOM 1375 N LYS B 7 0.783 -9.624 -7.057 1.00 35.22 N ATOM 1376 CA LYS B 7 -0.334 -8.825 -7.627 1.00 33.11 C ATOM 1377 C LYS B 7 -0.093 -7.310 -7.437 1.00 33.42 C ATOM 1378 O LYS B 7 -0.619 -6.508 -8.193 1.00 1.10 O ATOM 1379 CB LYS B 7 -1.713 -9.281 -7.044 1.00 14.25 C ATOM 1380 CG LYS B 7 -1.894 -9.138 -5.506 1.00 41.14 C ATOM 1381 CD LYS B 7 -2.410 -7.746 -5.029 1.00 73.21 C ATOM 1382 CE LYS B 7 -3.950 -7.618 -5.005 1.00 64.32 C ATOM 1383 NZ LYS B 7 -4.584 -7.870 -6.327 1.00 62.04 N ATOM 0 H LYS B 7 0.515 -10.213 -6.269 1.00 35.22 H new ATOM 0 HA LYS B 7 -0.366 -9.010 -8.701 1.00 33.11 H new ATOM 0 HB2 LYS B 7 -2.498 -8.707 -7.535 1.00 14.25 H new ATOM 0 HB3 LYS B 7 -1.868 -10.326 -7.311 1.00 14.25 H new ATOM 0 HG2 LYS B 7 -2.591 -9.903 -5.165 1.00 41.14 H new ATOM 0 HG3 LYS B 7 -0.938 -9.339 -5.023 1.00 41.14 H new ATOM 0 HD2 LYS B 7 -2.024 -7.551 -4.028 1.00 73.21 H new ATOM 0 HD3 LYS B 7 -2.002 -6.976 -5.683 1.00 73.21 H new ATOM 0 HE2 LYS B 7 -4.354 -8.321 -4.276 1.00 64.32 H new ATOM 0 HE3 LYS B 7 -4.219 -6.618 -4.666 1.00 64.32 H new ATOM 0 HZ1 LYS B 7 -5.485 -7.353 -6.384 1.00 62.04 H new ATOM 0 HZ2 LYS B 7 -3.950 -7.544 -7.084 1.00 62.04 H new ATOM 0 HZ3 LYS B 7 -4.762 -8.889 -6.438 1.00 62.04 H new ATOM 1397 N ALA B 8 0.708 -6.940 -6.411 1.00 41.52 N ATOM 1398 CA ALA B 8 1.191 -5.549 -6.229 1.00 0.44 C ATOM 1399 C ALA B 8 1.985 -5.069 -7.471 1.00 65.21 C ATOM 1400 O ALA B 8 1.773 -3.957 -7.959 1.00 1.21 O ATOM 1401 CB ALA B 8 2.056 -5.441 -4.965 1.00 4.31 C ATOM 0 H ALA B 8 1.035 -7.587 -5.694 1.00 41.52 H new ATOM 0 HA ALA B 8 0.321 -4.902 -6.112 1.00 0.44 H new ATOM 0 HB1 ALA B 8 2.402 -4.414 -4.847 1.00 4.31 H new ATOM 0 HB2 ALA B 8 1.466 -5.727 -4.095 1.00 4.31 H new ATOM 0 HB3 ALA B 8 2.916 -6.105 -5.055 1.00 4.31 H new ATOM 1407 N GLY B 9 2.875 -5.949 -7.978 1.00 43.12 N ATOM 1408 CA GLY B 9 3.636 -5.693 -9.210 1.00 52.02 C ATOM 1409 C GLY B 9 2.775 -5.704 -10.480 1.00 51.22 C ATOM 1410 O GLY B 9 2.957 -4.857 -11.367 1.00 61.02 O ATOM 0 H GLY B 9 3.082 -6.849 -7.545 1.00 43.12 H new ATOM 0 HA2 GLY B 9 4.132 -4.726 -9.126 1.00 52.02 H new ATOM 0 HA3 GLY B 9 4.419 -6.445 -9.306 1.00 52.02 H new ATOM 1414 N ALA B 10 1.835 -6.670 -10.558 1.00 62.53 N ATOM 1415 CA ALA B 10 0.903 -6.814 -11.709 1.00 63.43 C ATOM 1416 C ALA B 10 0.010 -5.566 -11.895 1.00 74.12 C ATOM 1417 O ALA B 10 -0.170 -5.066 -13.011 1.00 72.51 O ATOM 1418 CB ALA B 10 0.027 -8.060 -11.530 1.00 32.50 C ATOM 0 H ALA B 10 1.697 -7.372 -9.831 1.00 62.53 H new ATOM 0 HA ALA B 10 1.512 -6.921 -12.607 1.00 63.43 H new ATOM 0 HB1 ALA B 10 -0.650 -8.154 -12.379 1.00 32.50 H new ATOM 0 HB2 ALA B 10 0.661 -8.945 -11.472 1.00 32.50 H new ATOM 0 HB3 ALA B 10 -0.553 -7.968 -10.612 1.00 32.50 H new ATOM 1424 N LEU B 11 -0.541 -5.079 -10.774 1.00 42.05 N ATOM 1425 CA LEU B 11 -1.347 -3.848 -10.734 1.00 74.52 C ATOM 1426 C LEU B 11 -0.476 -2.610 -10.999 1.00 43.04 C ATOM 1427 O LEU B 11 -0.902 -1.704 -11.702 1.00 35.23 O ATOM 1428 CB LEU B 11 -2.054 -3.733 -9.364 1.00 61.34 C ATOM 1429 CG LEU B 11 -3.121 -4.835 -9.071 1.00 21.52 C ATOM 1430 CD1 LEU B 11 -3.505 -4.855 -7.582 1.00 44.03 C ATOM 1431 CD2 LEU B 11 -4.364 -4.659 -9.971 1.00 32.43 C ATOM 0 H LEU B 11 -0.440 -5.529 -9.864 1.00 42.05 H new ATOM 0 HA LEU B 11 -2.100 -3.898 -11.521 1.00 74.52 H new ATOM 0 HB2 LEU B 11 -1.298 -3.764 -8.579 1.00 61.34 H new ATOM 0 HB3 LEU B 11 -2.536 -2.758 -9.303 1.00 61.34 H new ATOM 0 HG LEU B 11 -2.676 -5.801 -9.308 1.00 21.52 H new ATOM 0 HD11 LEU B 11 -4.249 -5.632 -7.409 1.00 44.03 H new ATOM 0 HD12 LEU B 11 -2.619 -5.060 -6.981 1.00 44.03 H new ATOM 0 HD13 LEU B 11 -3.919 -3.887 -7.300 1.00 44.03 H new ATOM 0 HD21 LEU B 11 -5.090 -5.440 -9.745 1.00 32.43 H new ATOM 0 HD22 LEU B 11 -4.812 -3.683 -9.786 1.00 32.43 H new ATOM 0 HD23 LEU B 11 -4.068 -4.730 -11.018 1.00 32.43 H new ATOM 1443 N ALA B 12 0.761 -2.610 -10.455 1.00 55.44 N ATOM 1444 CA ALA B 12 1.712 -1.478 -10.598 1.00 71.10 C ATOM 1445 C ALA B 12 1.961 -1.086 -12.065 1.00 64.33 C ATOM 1446 O ALA B 12 2.042 0.103 -12.384 1.00 23.05 O ATOM 1447 CB ALA B 12 3.051 -1.808 -9.935 1.00 30.24 C ATOM 0 H ALA B 12 1.129 -3.388 -9.907 1.00 55.44 H new ATOM 0 HA ALA B 12 1.246 -0.628 -10.100 1.00 71.10 H new ATOM 0 HB1 ALA B 12 3.732 -0.965 -10.052 1.00 30.24 H new ATOM 0 HB2 ALA B 12 2.893 -2.003 -8.874 1.00 30.24 H new ATOM 0 HB3 ALA B 12 3.482 -2.691 -10.406 1.00 30.24 H new ATOM 1453 N GLY B 13 2.093 -2.102 -12.938 1.00 5.11 N ATOM 1454 CA GLY B 13 2.314 -1.879 -14.368 1.00 24.34 C ATOM 1455 C GLY B 13 1.204 -1.065 -15.036 1.00 44.42 C ATOM 1456 O GLY B 13 1.465 -0.017 -15.624 1.00 60.31 O ATOM 0 H GLY B 13 2.049 -3.086 -12.671 1.00 5.11 H new ATOM 0 HA2 GLY B 13 3.265 -1.364 -14.505 1.00 24.34 H new ATOM 0 HA3 GLY B 13 2.399 -2.843 -14.869 1.00 24.34 H new ATOM 1460 N GLN B 14 -0.047 -1.520 -14.876 1.00 43.22 N ATOM 1461 CA GLN B 14 -1.229 -0.876 -15.501 1.00 63.23 C ATOM 1462 C GLN B 14 -1.633 0.452 -14.798 1.00 60.45 C ATOM 1463 O GLN B 14 -2.187 1.346 -15.444 1.00 4.31 O ATOM 1464 CB GLN B 14 -2.416 -1.871 -15.552 1.00 3.22 C ATOM 1465 CG GLN B 14 -2.824 -2.456 -14.186 1.00 62.54 C ATOM 1466 CD GLN B 14 -3.975 -3.458 -14.257 1.00 53.42 C ATOM 1467 OE1 GLN B 14 -4.184 -4.125 -15.268 1.00 74.33 O ATOM 1468 NE2 GLN B 14 -4.706 -3.603 -13.170 1.00 62.23 N ATOM 0 H GLN B 14 -0.276 -2.340 -14.314 1.00 43.22 H new ATOM 0 HA GLN B 14 -0.951 -0.606 -16.520 1.00 63.23 H new ATOM 0 HB2 GLN B 14 -3.278 -1.366 -15.988 1.00 3.22 H new ATOM 0 HB3 GLN B 14 -2.156 -2.692 -16.221 1.00 3.22 H new ATOM 0 HG2 GLN B 14 -1.958 -2.944 -13.738 1.00 62.54 H new ATOM 0 HG3 GLN B 14 -3.108 -1.639 -13.523 1.00 62.54 H new ATOM 0 HE21 GLN B 14 -4.511 -3.036 -12.345 1.00 62.23 H new ATOM 0 HE22 GLN B 14 -5.467 -4.282 -13.154 1.00 62.23 H new ATOM 1477 N ILE B 15 -1.369 0.566 -13.476 1.00 10.11 N ATOM 1478 CA ILE B 15 -1.617 1.819 -12.711 1.00 13.51 C ATOM 1479 C ILE B 15 -0.653 2.941 -13.169 1.00 61.24 C ATOM 1480 O ILE B 15 -1.086 4.067 -13.445 1.00 34.14 O ATOM 1481 CB ILE B 15 -1.509 1.588 -11.149 1.00 52.23 C ATOM 1482 CG1 ILE B 15 -2.657 0.650 -10.649 1.00 44.44 C ATOM 1483 CG2 ILE B 15 -1.522 2.928 -10.362 1.00 5.01 C ATOM 1484 CD1 ILE B 15 -2.596 0.293 -9.167 1.00 51.43 C ATOM 0 H ILE B 15 -0.984 -0.192 -12.913 1.00 10.11 H new ATOM 0 HA ILE B 15 -2.639 2.133 -12.922 1.00 13.51 H new ATOM 0 HB ILE B 15 -0.551 1.105 -10.959 1.00 52.23 H new ATOM 0 HG12 ILE B 15 -3.614 1.131 -10.853 1.00 44.44 H new ATOM 0 HG13 ILE B 15 -2.633 -0.271 -11.231 1.00 44.44 H new ATOM 0 HG21 ILE B 15 -1.446 2.723 -9.294 1.00 5.01 H new ATOM 0 HG22 ILE B 15 -0.677 3.542 -10.675 1.00 5.01 H new ATOM 0 HG23 ILE B 15 -2.452 3.460 -10.564 1.00 5.01 H new ATOM 0 HD11 ILE B 15 -3.432 -0.360 -8.915 1.00 51.43 H new ATOM 0 HD12 ILE B 15 -1.658 -0.220 -8.955 1.00 51.43 H new ATOM 0 HD13 ILE B 15 -2.654 1.204 -8.571 1.00 51.43 H new ATOM 1496 N TRP B 16 0.648 2.608 -13.269 1.00 61.31 N ATOM 1497 CA TRP B 16 1.682 3.544 -13.770 1.00 51.32 C ATOM 1498 C TRP B 16 1.405 3.941 -15.244 1.00 10.52 C ATOM 1499 O TRP B 16 1.559 5.102 -15.610 1.00 72.20 O ATOM 1500 CB TRP B 16 3.102 2.924 -13.627 1.00 14.13 C ATOM 1501 CG TRP B 16 4.233 3.895 -13.911 1.00 24.21 C ATOM 1502 CD1 TRP B 16 4.860 4.720 -13.016 1.00 52.22 C ATOM 1503 CD2 TRP B 16 4.852 4.152 -15.182 1.00 14.22 C ATOM 1504 NE1 TRP B 16 5.816 5.471 -13.653 1.00 41.22 N ATOM 1505 CE2 TRP B 16 5.832 5.139 -14.979 1.00 21.01 C ATOM 1506 CE3 TRP B 16 4.673 3.631 -16.468 1.00 72.23 C ATOM 1507 CZ2 TRP B 16 6.617 5.634 -16.018 1.00 61.31 C ATOM 1508 CZ3 TRP B 16 5.449 4.120 -17.495 1.00 24.50 C ATOM 1509 CH2 TRP B 16 6.416 5.109 -17.267 1.00 13.52 C ATOM 0 H TRP B 16 1.013 1.692 -13.008 1.00 61.31 H new ATOM 0 HA TRP B 16 1.640 4.448 -13.163 1.00 51.32 H new ATOM 0 HB2 TRP B 16 3.217 2.535 -12.615 1.00 14.13 H new ATOM 0 HB3 TRP B 16 3.187 2.076 -14.306 1.00 14.13 H new ATOM 0 HD1 TRP B 16 4.635 4.772 -11.961 1.00 52.22 H new ATOM 0 HE1 TRP B 16 6.417 6.165 -13.209 1.00 41.22 H new ATOM 0 HE3 TRP B 16 3.940 2.860 -16.652 1.00 72.23 H new ATOM 0 HZ2 TRP B 16 7.356 6.402 -15.845 1.00 61.31 H new ATOM 0 HZ3 TRP B 16 5.310 3.735 -18.494 1.00 24.50 H new ATOM 0 HH2 TRP B 16 7.015 5.464 -18.093 1.00 13.52 H new ATOM 1520 N GLU B 17 1.000 2.964 -16.079 1.00 43.11 N ATOM 1521 CA GLU B 17 0.643 3.215 -17.500 1.00 64.31 C ATOM 1522 C GLU B 17 -0.635 4.073 -17.657 1.00 71.41 C ATOM 1523 O GLU B 17 -0.795 4.765 -18.668 1.00 4.22 O ATOM 1524 CB GLU B 17 0.498 1.874 -18.270 1.00 71.42 C ATOM 1525 CG GLU B 17 1.836 1.146 -18.554 1.00 42.53 C ATOM 1526 CD GLU B 17 2.667 1.780 -19.686 1.00 72.22 C ATOM 1527 OE1 GLU B 17 3.163 2.907 -19.523 1.00 5.14 O ATOM 1528 OE2 GLU B 17 2.837 1.151 -20.749 1.00 64.44 O ATOM 0 H GLU B 17 0.910 1.988 -15.798 1.00 43.11 H new ATOM 0 HA GLU B 17 1.461 3.791 -17.932 1.00 64.31 H new ATOM 0 HB2 GLU B 17 -0.148 1.209 -17.697 1.00 71.42 H new ATOM 0 HB3 GLU B 17 -0.004 2.067 -19.218 1.00 71.42 H new ATOM 0 HG2 GLU B 17 2.432 1.135 -17.642 1.00 42.53 H new ATOM 0 HG3 GLU B 17 1.626 0.108 -18.810 1.00 42.53 H new ATOM 1535 N ALA B 18 -1.540 4.011 -16.666 1.00 5.01 N ATOM 1536 CA ALA B 18 -2.724 4.905 -16.599 1.00 14.00 C ATOM 1537 C ALA B 18 -2.298 6.355 -16.262 1.00 51.30 C ATOM 1538 O ALA B 18 -2.884 7.324 -16.758 1.00 24.14 O ATOM 1539 CB ALA B 18 -3.732 4.383 -15.566 1.00 51.42 C ATOM 0 H ALA B 18 -1.479 3.349 -15.892 1.00 5.01 H new ATOM 0 HA ALA B 18 -3.205 4.912 -17.577 1.00 14.00 H new ATOM 0 HB1 ALA B 18 -4.594 5.050 -15.529 1.00 51.42 H new ATOM 0 HB2 ALA B 18 -4.059 3.383 -15.850 1.00 51.42 H new ATOM 0 HB3 ALA B 18 -3.260 4.346 -14.584 1.00 51.42 H new ATOM 1545 N LEU B 19 -1.269 6.476 -15.409 1.00 51.14 N ATOM 1546 CA LEU B 19 -0.640 7.766 -15.056 1.00 30.01 C ATOM 1547 C LEU B 19 0.294 8.281 -16.179 1.00 52.14 C ATOM 1548 O LEU B 19 0.566 9.486 -16.272 1.00 4.10 O ATOM 1549 CB LEU B 19 0.157 7.594 -13.742 1.00 40.53 C ATOM 1550 CG LEU B 19 -0.697 7.331 -12.468 1.00 11.22 C ATOM 1551 CD1 LEU B 19 0.198 6.992 -11.257 1.00 75.12 C ATOM 1552 CD2 LEU B 19 -1.608 8.542 -12.180 1.00 11.53 C ATOM 0 H LEU B 19 -0.844 5.677 -14.939 1.00 51.14 H new ATOM 0 HA LEU B 19 -1.428 8.507 -14.926 1.00 30.01 H new ATOM 0 HB2 LEU B 19 0.855 6.766 -13.867 1.00 40.53 H new ATOM 0 HB3 LEU B 19 0.753 8.492 -13.579 1.00 40.53 H new ATOM 0 HG LEU B 19 -1.332 6.464 -12.648 1.00 11.22 H new ATOM 0 HD11 LEU B 19 -0.427 6.813 -10.382 1.00 75.12 H new ATOM 0 HD12 LEU B 19 0.782 6.098 -11.475 1.00 75.12 H new ATOM 0 HD13 LEU B 19 0.872 7.825 -11.058 1.00 75.12 H new ATOM 0 HD21 LEU B 19 -2.201 8.347 -11.286 1.00 11.53 H new ATOM 0 HD22 LEU B 19 -0.995 9.429 -12.022 1.00 11.53 H new ATOM 0 HD23 LEU B 19 -2.273 8.707 -13.028 1.00 11.53 H new ATOM 1564 N ASN B 20 0.786 7.359 -17.022 1.00 61.22 N ATOM 1565 CA ASN B 20 1.720 7.679 -18.111 1.00 73.24 C ATOM 1566 C ASN B 20 0.954 8.268 -19.314 1.00 3.30 C ATOM 1567 O ASN B 20 -0.161 7.839 -19.630 1.00 4.22 O ATOM 1568 CB ASN B 20 2.525 6.419 -18.507 1.00 2.44 C ATOM 1569 CG ASN B 20 3.673 6.701 -19.476 1.00 63.44 C ATOM 1570 OD1 ASN B 20 4.248 7.782 -19.478 1.00 12.24 O ATOM 1571 ND2 ASN B 20 4.029 5.728 -20.287 1.00 1.30 N ATOM 0 H ASN B 20 0.546 6.369 -16.967 1.00 61.22 H new ATOM 0 HA ASN B 20 2.429 8.433 -17.769 1.00 73.24 H new ATOM 0 HB2 ASN B 20 2.928 5.958 -17.605 1.00 2.44 H new ATOM 0 HB3 ASN B 20 1.849 5.694 -18.960 1.00 2.44 H new ATOM 0 HD21 ASN B 20 4.802 5.864 -20.939 1.00 1.30 H new ATOM 0 HD22 ASN B 20 3.532 4.837 -20.264 1.00 1.30 H new ATOM 1578 N GLY B 21 1.582 9.241 -19.987 1.00 73.24 N ATOM 1579 CA GLY B 21 0.888 10.092 -20.962 1.00 4.13 C ATOM 1580 C GLY B 21 0.384 11.400 -20.336 1.00 13.23 C ATOM 1581 O GLY B 21 0.015 12.327 -21.051 1.00 64.52 O ATOM 0 H GLY B 21 2.572 9.459 -19.874 1.00 73.24 H new ATOM 0 HA2 GLY B 21 1.563 10.322 -21.786 1.00 4.13 H new ATOM 0 HA3 GLY B 21 0.045 9.545 -21.384 1.00 4.13 H new ATOM 1585 N THR B 22 0.384 11.471 -18.981 1.00 73.14 N ATOM 1586 CA THR B 22 -0.086 12.653 -18.208 1.00 3.04 C ATOM 1587 C THR B 22 0.916 12.990 -17.078 1.00 74.34 C ATOM 1588 O THR B 22 1.961 12.339 -16.946 1.00 55.11 O ATOM 1589 CB THR B 22 -1.510 12.421 -17.571 1.00 64.21 C ATOM 1590 OG1 THR B 22 -1.442 11.450 -16.513 1.00 51.13 O ATOM 1591 CG2 THR B 22 -2.547 11.959 -18.610 1.00 3.03 C ATOM 0 H THR B 22 0.711 10.707 -18.389 1.00 73.14 H new ATOM 0 HA THR B 22 -0.155 13.482 -18.912 1.00 3.04 H new ATOM 0 HB THR B 22 -1.831 13.383 -17.172 1.00 64.21 H new ATOM 0 HG1 THR B 22 -0.668 10.866 -16.654 1.00 51.13 H new ATOM 0 HG21 THR B 22 -3.511 11.813 -18.122 1.00 3.03 H new ATOM 0 HG22 THR B 22 -2.645 12.716 -19.388 1.00 3.03 H new ATOM 0 HG23 THR B 22 -2.221 11.020 -19.057 1.00 3.03 H new ATOM 1599 N GLU B 23 0.582 14.014 -16.261 1.00 11.22 N ATOM 1600 CA GLU B 23 1.402 14.426 -15.087 1.00 34.23 C ATOM 1601 C GLU B 23 0.797 13.877 -13.772 1.00 3.40 C ATOM 1602 O GLU B 23 1.024 14.437 -12.698 1.00 54.32 O ATOM 1603 CB GLU B 23 1.513 15.976 -14.994 1.00 14.51 C ATOM 1604 CG GLU B 23 2.145 16.685 -16.209 1.00 62.23 C ATOM 1605 CD GLU B 23 1.286 16.630 -17.485 1.00 14.01 C ATOM 1606 OE1 GLU B 23 0.204 17.244 -17.502 1.00 41.25 O ATOM 1607 OE2 GLU B 23 1.681 15.957 -18.459 1.00 12.34 O ATOM 0 H GLU B 23 -0.257 14.579 -16.391 1.00 11.22 H new ATOM 0 HA GLU B 23 2.399 14.008 -15.226 1.00 34.23 H new ATOM 0 HB2 GLU B 23 0.513 16.383 -14.841 1.00 14.51 H new ATOM 0 HB3 GLU B 23 2.098 16.226 -14.109 1.00 14.51 H new ATOM 0 HG2 GLU B 23 2.329 17.728 -15.952 1.00 62.23 H new ATOM 0 HG3 GLU B 23 3.115 16.232 -16.417 1.00 62.23 H new ATOM 1614 N GLY B 24 0.035 12.768 -13.867 1.00 22.01 N ATOM 1615 CA GLY B 24 -0.561 12.118 -12.689 1.00 10.20 C ATOM 1616 C GLY B 24 -2.029 12.474 -12.413 1.00 63.14 C ATOM 1617 O GLY B 24 -2.610 13.349 -13.063 1.00 35.33 O ATOM 0 H GLY B 24 -0.180 12.306 -14.750 1.00 22.01 H new ATOM 0 HA2 GLY B 24 -0.484 11.038 -12.813 1.00 10.20 H new ATOM 0 HA3 GLY B 24 0.030 12.381 -11.812 1.00 10.20 H new ATOM 1621 N LEU B 25 -2.610 11.778 -11.413 1.00 11.25 N ATOM 1622 CA LEU B 25 -4.046 11.869 -11.032 1.00 12.53 C ATOM 1623 C LEU B 25 -4.215 11.581 -9.518 1.00 11.04 C ATOM 1624 O LEU B 25 -3.286 11.094 -8.866 1.00 51.04 O ATOM 1625 CB LEU B 25 -4.898 10.840 -11.842 1.00 4.43 C ATOM 1626 CG LEU B 25 -5.085 11.114 -13.367 1.00 22.12 C ATOM 1627 CD1 LEU B 25 -5.798 9.928 -14.051 1.00 62.42 C ATOM 1628 CD2 LEU B 25 -5.850 12.439 -13.595 1.00 14.01 C ATOM 0 H LEU B 25 -2.088 11.122 -10.832 1.00 11.25 H new ATOM 0 HA LEU B 25 -4.392 12.878 -11.257 1.00 12.53 H new ATOM 0 HB2 LEU B 25 -4.439 9.858 -11.729 1.00 4.43 H new ATOM 0 HB3 LEU B 25 -5.886 10.785 -11.385 1.00 4.43 H new ATOM 0 HG LEU B 25 -4.100 11.217 -13.822 1.00 22.12 H new ATOM 0 HD11 LEU B 25 -5.918 10.140 -15.113 1.00 62.42 H new ATOM 0 HD12 LEU B 25 -5.202 9.024 -13.926 1.00 62.42 H new ATOM 0 HD13 LEU B 25 -6.778 9.782 -13.597 1.00 62.42 H new ATOM 0 HD21 LEU B 25 -5.969 12.611 -14.665 1.00 14.01 H new ATOM 0 HD22 LEU B 25 -6.832 12.378 -13.125 1.00 14.01 H new ATOM 0 HD23 LEU B 25 -5.289 13.264 -13.156 1.00 14.01 H new ATOM 1640 N THR B 26 -5.408 11.881 -8.963 1.00 73.31 N ATOM 1641 CA THR B 26 -5.766 11.465 -7.577 1.00 71.24 C ATOM 1642 C THR B 26 -6.176 9.978 -7.563 1.00 11.45 C ATOM 1643 O THR B 26 -6.493 9.429 -8.612 1.00 72.34 O ATOM 1644 CB THR B 26 -6.948 12.302 -6.979 1.00 1.23 C ATOM 1645 OG1 THR B 26 -8.165 12.006 -7.677 1.00 1.13 O ATOM 1646 CG2 THR B 26 -6.682 13.817 -7.049 1.00 64.53 C ATOM 0 H THR B 26 -6.139 12.405 -9.443 1.00 73.31 H new ATOM 0 HA THR B 26 -4.880 11.636 -6.965 1.00 71.24 H new ATOM 0 HB THR B 26 -7.038 12.023 -5.929 1.00 1.23 H new ATOM 0 HG1 THR B 26 -8.898 12.533 -7.295 1.00 1.13 H new ATOM 0 HG21 THR B 26 -7.529 14.355 -6.623 1.00 64.53 H new ATOM 0 HG22 THR B 26 -5.780 14.055 -6.485 1.00 64.53 H new ATOM 0 HG23 THR B 26 -6.549 14.115 -8.089 1.00 64.53 H new ATOM 1654 N GLN B 27 -6.226 9.366 -6.363 1.00 73.23 N ATOM 1655 CA GLN B 27 -6.583 7.936 -6.168 1.00 54.51 C ATOM 1656 C GLN B 27 -7.888 7.556 -6.911 1.00 32.34 C ATOM 1657 O GLN B 27 -7.934 6.571 -7.648 1.00 53.12 O ATOM 1658 CB GLN B 27 -6.726 7.656 -4.638 1.00 43.51 C ATOM 1659 CG GLN B 27 -7.329 6.283 -4.270 1.00 54.40 C ATOM 1660 CD GLN B 27 -7.348 5.998 -2.766 1.00 25.05 C ATOM 1661 OE1 GLN B 27 -7.433 6.904 -1.943 1.00 45.54 O ATOM 1662 NE2 GLN B 27 -7.271 4.733 -2.399 1.00 42.13 N ATOM 0 H GLN B 27 -6.019 9.851 -5.490 1.00 73.23 H new ATOM 0 HA GLN B 27 -5.788 7.321 -6.590 1.00 54.51 H new ATOM 0 HB2 GLN B 27 -5.741 7.737 -4.177 1.00 43.51 H new ATOM 0 HB3 GLN B 27 -7.348 8.436 -4.200 1.00 43.51 H new ATOM 0 HG2 GLN B 27 -8.348 6.230 -4.653 1.00 54.40 H new ATOM 0 HG3 GLN B 27 -6.759 5.501 -4.771 1.00 54.40 H new ATOM 0 HE21 GLN B 27 -7.201 4.000 -3.105 1.00 42.13 H new ATOM 0 HE22 GLN B 27 -7.281 4.488 -1.409 1.00 42.13 H new ATOM 1671 N LYS B 28 -8.907 8.398 -6.737 1.00 52.34 N ATOM 1672 CA LYS B 28 -10.253 8.205 -7.319 1.00 11.30 C ATOM 1673 C LYS B 28 -10.249 8.357 -8.872 1.00 3.45 C ATOM 1674 O LYS B 28 -10.976 7.641 -9.572 1.00 35.11 O ATOM 1675 CB LYS B 28 -11.224 9.214 -6.652 1.00 52.44 C ATOM 1676 CG LYS B 28 -11.194 9.170 -5.099 1.00 3.21 C ATOM 1677 CD LYS B 28 -12.112 10.215 -4.424 1.00 2.15 C ATOM 1678 CE LYS B 28 -13.611 9.952 -4.661 1.00 70.31 C ATOM 1679 NZ LYS B 28 -14.463 10.949 -3.967 1.00 32.43 N ATOM 0 H LYS B 28 -8.828 9.249 -6.181 1.00 52.34 H new ATOM 0 HA LYS B 28 -10.585 7.186 -7.120 1.00 11.30 H new ATOM 0 HB2 LYS B 28 -10.973 10.221 -6.984 1.00 52.44 H new ATOM 0 HB3 LYS B 28 -12.239 9.010 -6.994 1.00 52.44 H new ATOM 0 HG2 LYS B 28 -11.489 8.174 -4.768 1.00 3.21 H new ATOM 0 HG3 LYS B 28 -10.170 9.328 -4.761 1.00 3.21 H new ATOM 0 HD2 LYS B 28 -11.916 10.222 -3.352 1.00 2.15 H new ATOM 0 HD3 LYS B 28 -11.860 11.207 -4.800 1.00 2.15 H new ATOM 0 HE2 LYS B 28 -13.820 9.978 -5.731 1.00 70.31 H new ATOM 0 HE3 LYS B 28 -13.864 8.951 -4.311 1.00 70.31 H new ATOM 0 HZ1 LYS B 28 -15.465 10.738 -4.151 1.00 32.43 H new ATOM 0 HZ2 LYS B 28 -14.283 10.907 -2.944 1.00 32.43 H new ATOM 0 HZ3 LYS B 28 -14.240 11.902 -4.319 1.00 32.43 H new ATOM 1693 N GLN B 29 -9.415 9.280 -9.391 1.00 45.14 N ATOM 1694 CA GLN B 29 -9.247 9.493 -10.859 1.00 64.02 C ATOM 1695 C GLN B 29 -8.441 8.344 -11.527 1.00 3.44 C ATOM 1696 O GLN B 29 -8.682 8.002 -12.690 1.00 60.52 O ATOM 1697 CB GLN B 29 -8.558 10.856 -11.123 1.00 34.43 C ATOM 1698 CG GLN B 29 -9.366 12.092 -10.676 1.00 21.12 C ATOM 1699 CD GLN B 29 -8.591 13.413 -10.813 1.00 61.54 C ATOM 1700 OE1 GLN B 29 -7.370 13.457 -10.681 1.00 4.21 O ATOM 1701 NE2 GLN B 29 -9.294 14.499 -11.069 1.00 14.32 N ATOM 0 H GLN B 29 -8.840 9.898 -8.818 1.00 45.14 H new ATOM 0 HA GLN B 29 -10.241 9.496 -11.307 1.00 64.02 H new ATOM 0 HB2 GLN B 29 -7.596 10.865 -10.611 1.00 34.43 H new ATOM 0 HB3 GLN B 29 -8.352 10.941 -12.190 1.00 34.43 H new ATOM 0 HG2 GLN B 29 -10.279 12.153 -11.268 1.00 21.12 H new ATOM 0 HG3 GLN B 29 -9.668 11.963 -9.637 1.00 21.12 H new ATOM 0 HE21 GLN B 29 -10.307 14.438 -11.175 1.00 14.32 H new ATOM 0 HE22 GLN B 29 -8.825 15.400 -11.162 1.00 14.32 H new ATOM 1710 N ILE B 30 -7.473 7.777 -10.785 1.00 21.33 N ATOM 1711 CA ILE B 30 -6.687 6.603 -11.234 1.00 20.43 C ATOM 1712 C ILE B 30 -7.585 5.355 -11.316 1.00 44.23 C ATOM 1713 O ILE B 30 -7.523 4.607 -12.280 1.00 74.33 O ATOM 1714 CB ILE B 30 -5.475 6.323 -10.270 1.00 13.24 C ATOM 1715 CG1 ILE B 30 -4.543 7.569 -10.203 1.00 13.44 C ATOM 1716 CG2 ILE B 30 -4.679 5.066 -10.712 1.00 51.03 C ATOM 1717 CD1 ILE B 30 -3.442 7.510 -9.157 1.00 1.13 C ATOM 0 H ILE B 30 -7.211 8.115 -9.859 1.00 21.33 H new ATOM 0 HA ILE B 30 -6.293 6.829 -12.225 1.00 20.43 H new ATOM 0 HB ILE B 30 -5.873 6.127 -9.274 1.00 13.24 H new ATOM 0 HG12 ILE B 30 -4.083 7.709 -11.181 1.00 13.44 H new ATOM 0 HG13 ILE B 30 -5.156 8.449 -10.010 1.00 13.44 H new ATOM 0 HG21 ILE B 30 -3.849 4.901 -10.025 1.00 51.03 H new ATOM 0 HG22 ILE B 30 -5.337 4.197 -10.702 1.00 51.03 H new ATOM 0 HG23 ILE B 30 -4.292 5.216 -11.720 1.00 51.03 H new ATOM 0 HD11 ILE B 30 -2.853 8.426 -9.196 1.00 1.13 H new ATOM 0 HD12 ILE B 30 -3.886 7.406 -8.167 1.00 1.13 H new ATOM 0 HD13 ILE B 30 -2.796 6.655 -9.356 1.00 1.13 H new ATOM 1729 N LYS B 31 -8.432 5.166 -10.293 1.00 52.24 N ATOM 1730 CA LYS B 31 -9.443 4.082 -10.250 1.00 60.42 C ATOM 1731 C LYS B 31 -10.452 4.172 -11.430 1.00 73.42 C ATOM 1732 O LYS B 31 -11.009 3.156 -11.859 1.00 63.05 O ATOM 1733 CB LYS B 31 -10.176 4.127 -8.882 1.00 31.32 C ATOM 1734 CG LYS B 31 -9.313 3.658 -7.686 1.00 25.31 C ATOM 1735 CD LYS B 31 -9.920 4.020 -6.304 1.00 1.50 C ATOM 1736 CE LYS B 31 -11.354 3.496 -6.098 1.00 34.44 C ATOM 1737 NZ LYS B 31 -11.453 2.034 -6.280 1.00 12.04 N ATOM 0 H LYS B 31 -8.440 5.761 -9.464 1.00 52.24 H new ATOM 0 HA LYS B 31 -8.930 3.126 -10.359 1.00 60.42 H new ATOM 0 HB2 LYS B 31 -10.512 5.147 -8.696 1.00 31.32 H new ATOM 0 HB3 LYS B 31 -11.068 3.503 -8.939 1.00 31.32 H new ATOM 0 HG2 LYS B 31 -9.182 2.577 -7.744 1.00 25.31 H new ATOM 0 HG3 LYS B 31 -8.322 4.104 -7.767 1.00 25.31 H new ATOM 0 HD2 LYS B 31 -9.280 3.617 -5.520 1.00 1.50 H new ATOM 0 HD3 LYS B 31 -9.919 5.104 -6.190 1.00 1.50 H new ATOM 0 HE2 LYS B 31 -11.693 3.758 -5.096 1.00 34.44 H new ATOM 0 HE3 LYS B 31 -12.023 3.993 -6.800 1.00 34.44 H new ATOM 0 HZ1 LYS B 31 -12.278 1.674 -5.760 1.00 12.04 H new ATOM 0 HZ2 LYS B 31 -11.560 1.817 -7.291 1.00 12.04 H new ATOM 0 HZ3 LYS B 31 -10.591 1.580 -5.917 1.00 12.04 H new ATOM 1751 N LYS B 32 -10.669 5.398 -11.945 1.00 1.12 N ATOM 1752 CA LYS B 32 -11.505 5.653 -13.142 1.00 1.43 C ATOM 1753 C LYS B 32 -10.819 5.123 -14.437 1.00 14.03 C ATOM 1754 O LYS B 32 -11.462 4.499 -15.287 1.00 23.43 O ATOM 1755 CB LYS B 32 -11.774 7.184 -13.240 1.00 13.11 C ATOM 1756 CG LYS B 32 -12.674 7.653 -14.407 1.00 62.11 C ATOM 1757 CD LYS B 32 -14.113 7.090 -14.333 1.00 12.15 C ATOM 1758 CE LYS B 32 -15.037 7.674 -15.417 1.00 53.14 C ATOM 1759 NZ LYS B 32 -14.560 7.390 -16.797 1.00 23.30 N ATOM 0 H LYS B 32 -10.269 6.246 -11.543 1.00 1.12 H new ATOM 0 HA LYS B 32 -12.450 5.118 -13.044 1.00 1.43 H new ATOM 0 HB2 LYS B 32 -12.229 7.511 -12.305 1.00 13.11 H new ATOM 0 HB3 LYS B 32 -10.814 7.694 -13.323 1.00 13.11 H new ATOM 0 HG2 LYS B 32 -12.717 8.742 -14.409 1.00 62.11 H new ATOM 0 HG3 LYS B 32 -12.221 7.350 -15.351 1.00 62.11 H new ATOM 0 HD2 LYS B 32 -14.080 6.005 -14.436 1.00 12.15 H new ATOM 0 HD3 LYS B 32 -14.532 7.304 -13.350 1.00 12.15 H new ATOM 0 HE2 LYS B 32 -16.039 7.264 -15.293 1.00 53.14 H new ATOM 0 HE3 LYS B 32 -15.114 8.752 -15.279 1.00 53.14 H new ATOM 0 HZ1 LYS B 32 -15.229 7.792 -17.485 1.00 23.30 H new ATOM 0 HZ2 LYS B 32 -13.622 7.818 -16.935 1.00 23.30 H new ATOM 0 HZ3 LYS B 32 -14.495 6.362 -16.937 1.00 23.30 H new ATOM 1773 N ALA B 33 -9.503 5.372 -14.561 1.00 33.21 N ATOM 1774 CA ALA B 33 -8.700 4.981 -15.750 1.00 1.13 C ATOM 1775 C ALA B 33 -8.363 3.466 -15.765 1.00 71.12 C ATOM 1776 O ALA B 33 -8.430 2.808 -16.809 1.00 44.53 O ATOM 1777 CB ALA B 33 -7.412 5.818 -15.795 1.00 42.12 C ATOM 0 H ALA B 33 -8.959 5.850 -13.843 1.00 33.21 H new ATOM 0 HA ALA B 33 -9.301 5.178 -16.638 1.00 1.13 H new ATOM 0 HB1 ALA B 33 -6.823 5.532 -16.666 1.00 42.12 H new ATOM 0 HB2 ALA B 33 -7.667 6.876 -15.861 1.00 42.12 H new ATOM 0 HB3 ALA B 33 -6.831 5.641 -14.890 1.00 42.12 H new ATOM 1783 N THR B 34 -8.004 2.934 -14.587 1.00 15.41 N ATOM 1784 CA THR B 34 -7.589 1.513 -14.410 1.00 1.44 C ATOM 1785 C THR B 34 -8.789 0.552 -14.297 1.00 33.33 C ATOM 1786 O THR B 34 -8.619 -0.667 -14.428 1.00 63.32 O ATOM 1787 CB THR B 34 -6.715 1.341 -13.127 1.00 34.11 C ATOM 1788 OG1 THR B 34 -7.457 1.782 -11.971 1.00 53.54 O ATOM 1789 CG2 THR B 34 -5.396 2.121 -13.212 1.00 32.34 C ATOM 0 H THR B 34 -7.990 3.471 -13.720 1.00 15.41 H new ATOM 0 HA THR B 34 -7.017 1.260 -15.303 1.00 1.44 H new ATOM 0 HB THR B 34 -6.469 0.283 -13.040 1.00 34.11 H new ATOM 0 HG1 THR B 34 -7.480 2.762 -11.951 1.00 53.54 H new ATOM 0 HG21 THR B 34 -4.824 1.969 -12.297 1.00 32.34 H new ATOM 0 HG22 THR B 34 -4.817 1.765 -14.065 1.00 32.34 H new ATOM 0 HG23 THR B 34 -5.609 3.183 -13.335 1.00 32.34 H new ATOM 1797 N LYS B 35 -9.981 1.126 -14.010 1.00 61.30 N ATOM 1798 CA LYS B 35 -11.252 0.386 -13.789 1.00 30.14 C ATOM 1799 C LYS B 35 -11.232 -0.430 -12.463 1.00 73.52 C ATOM 1800 O LYS B 35 -12.050 -1.343 -12.269 1.00 45.02 O ATOM 1801 CB LYS B 35 -11.632 -0.510 -15.019 1.00 70.54 C ATOM 1802 CG LYS B 35 -11.767 0.252 -16.362 1.00 60.32 C ATOM 1803 CD LYS B 35 -12.846 1.361 -16.331 1.00 63.11 C ATOM 1804 CE LYS B 35 -14.281 0.816 -16.163 1.00 53.22 C ATOM 1805 NZ LYS B 35 -14.726 0.036 -17.350 1.00 11.12 N ATOM 0 H LYS B 35 -10.091 2.136 -13.923 1.00 61.30 H new ATOM 0 HA LYS B 35 -12.036 1.136 -13.687 1.00 30.14 H new ATOM 0 HB2 LYS B 35 -10.875 -1.286 -15.133 1.00 70.54 H new ATOM 0 HB3 LYS B 35 -12.575 -1.013 -14.806 1.00 70.54 H new ATOM 0 HG2 LYS B 35 -10.805 0.697 -16.617 1.00 60.32 H new ATOM 0 HG3 LYS B 35 -12.009 -0.459 -17.152 1.00 60.32 H new ATOM 0 HD2 LYS B 35 -12.628 2.047 -15.513 1.00 63.11 H new ATOM 0 HD3 LYS B 35 -12.790 1.938 -17.254 1.00 63.11 H new ATOM 0 HE2 LYS B 35 -14.327 0.184 -15.276 1.00 53.22 H new ATOM 0 HE3 LYS B 35 -14.967 1.647 -15.998 1.00 53.22 H new ATOM 0 HZ1 LYS B 35 -15.706 -0.282 -17.209 1.00 11.12 H new ATOM 0 HZ2 LYS B 35 -14.675 0.636 -18.198 1.00 11.12 H new ATOM 0 HZ3 LYS B 35 -14.108 -0.791 -17.473 1.00 11.12 H new ATOM 1819 N LEU B 36 -10.329 -0.043 -11.530 1.00 2.25 N ATOM 1820 CA LEU B 36 -10.229 -0.673 -10.196 1.00 24.14 C ATOM 1821 C LEU B 36 -11.429 -0.259 -9.308 1.00 21.42 C ATOM 1822 O LEU B 36 -11.547 0.907 -8.913 1.00 44.53 O ATOM 1823 CB LEU B 36 -8.885 -0.311 -9.499 1.00 72.34 C ATOM 1824 CG LEU B 36 -7.590 -0.909 -10.143 1.00 63.11 C ATOM 1825 CD1 LEU B 36 -6.330 -0.492 -9.346 1.00 30.15 C ATOM 1826 CD2 LEU B 36 -7.690 -2.447 -10.278 1.00 11.50 C ATOM 0 H LEU B 36 -9.656 0.708 -11.681 1.00 2.25 H new ATOM 0 HA LEU B 36 -10.254 -1.754 -10.335 1.00 24.14 H new ATOM 0 HB2 LEU B 36 -8.789 0.775 -9.482 1.00 72.34 H new ATOM 0 HB3 LEU B 36 -8.937 -0.643 -8.462 1.00 72.34 H new ATOM 0 HG LEU B 36 -7.496 -0.498 -11.148 1.00 63.11 H new ATOM 0 HD11 LEU B 36 -5.444 -0.921 -9.815 1.00 30.15 H new ATOM 0 HD12 LEU B 36 -6.247 0.595 -9.339 1.00 30.15 H new ATOM 0 HD13 LEU B 36 -6.410 -0.856 -8.322 1.00 30.15 H new ATOM 0 HD21 LEU B 36 -6.776 -2.833 -10.729 1.00 11.50 H new ATOM 0 HD22 LEU B 36 -7.824 -2.891 -9.292 1.00 11.50 H new ATOM 0 HD23 LEU B 36 -8.541 -2.702 -10.909 1.00 11.50 H new ATOM 1838 N LYS B 37 -12.326 -1.228 -9.036 1.00 44.25 N ATOM 1839 CA LYS B 37 -13.508 -1.045 -8.159 1.00 33.44 C ATOM 1840 C LYS B 37 -13.086 -0.815 -6.683 1.00 11.10 C ATOM 1841 O LYS B 37 -13.542 0.134 -6.032 1.00 64.13 O ATOM 1842 CB LYS B 37 -14.441 -2.290 -8.296 1.00 71.41 C ATOM 1843 CG LYS B 37 -15.629 -2.365 -7.304 1.00 20.31 C ATOM 1844 CD LYS B 37 -16.607 -1.174 -7.410 1.00 44.43 C ATOM 1845 CE LYS B 37 -17.717 -1.244 -6.349 1.00 34.13 C ATOM 1846 NZ LYS B 37 -17.178 -1.250 -4.958 1.00 14.24 N ATOM 0 H LYS B 37 -12.253 -2.170 -9.421 1.00 44.25 H new ATOM 0 HA LYS B 37 -14.052 -0.154 -8.473 1.00 33.44 H new ATOM 0 HB2 LYS B 37 -14.839 -2.310 -9.310 1.00 71.41 H new ATOM 0 HB3 LYS B 37 -13.835 -3.188 -8.174 1.00 71.41 H new ATOM 0 HG2 LYS B 37 -16.178 -3.290 -7.479 1.00 20.31 H new ATOM 0 HG3 LYS B 37 -15.239 -2.413 -6.287 1.00 20.31 H new ATOM 0 HD2 LYS B 37 -16.055 -0.241 -7.296 1.00 44.43 H new ATOM 0 HD3 LYS B 37 -17.055 -1.160 -8.403 1.00 44.43 H new ATOM 0 HE2 LYS B 37 -18.387 -0.393 -6.472 1.00 34.13 H new ATOM 0 HE3 LYS B 37 -18.312 -2.143 -6.509 1.00 34.13 H new ATOM 0 HZ1 LYS B 37 -17.952 -1.077 -4.285 1.00 14.24 H new ATOM 0 HZ2 LYS B 37 -16.745 -2.174 -4.757 1.00 14.24 H new ATOM 0 HZ3 LYS B 37 -16.461 -0.503 -4.860 1.00 14.24 H new ATOM 1860 N ALA B 38 -12.187 -1.675 -6.183 1.00 24.53 N ATOM 1861 CA ALA B 38 -11.724 -1.634 -4.780 1.00 4.33 C ATOM 1862 C ALA B 38 -10.597 -0.608 -4.571 1.00 51.42 C ATOM 1863 O ALA B 38 -9.787 -0.346 -5.471 1.00 11.51 O ATOM 1864 CB ALA B 38 -11.256 -3.027 -4.322 1.00 32.21 C ATOM 0 H ALA B 38 -11.759 -2.418 -6.735 1.00 24.53 H new ATOM 0 HA ALA B 38 -12.574 -1.322 -4.174 1.00 4.33 H new ATOM 0 HB1 ALA B 38 -10.919 -2.975 -3.287 1.00 32.21 H new ATOM 0 HB2 ALA B 38 -12.083 -3.733 -4.400 1.00 32.21 H new ATOM 0 HB3 ALA B 38 -10.434 -3.361 -4.955 1.00 32.21 H new ATOM 1870 N ASP B 39 -10.580 -0.009 -3.377 1.00 63.50 N ATOM 1871 CA ASP B 39 -9.483 0.867 -2.911 1.00 73.54 C ATOM 1872 C ASP B 39 -8.198 0.040 -2.638 1.00 73.11 C ATOM 1873 O ASP B 39 -7.083 0.482 -2.927 1.00 35.01 O ATOM 1874 CB ASP B 39 -9.950 1.626 -1.630 1.00 30.24 C ATOM 1875 CG ASP B 39 -10.320 0.691 -0.448 1.00 24.25 C ATOM 1876 OD1 ASP B 39 -11.227 -0.155 -0.599 1.00 73.23 O ATOM 1877 OD2 ASP B 39 -9.692 0.771 0.621 1.00 25.33 O ATOM 0 H ASP B 39 -11.331 -0.115 -2.695 1.00 63.50 H new ATOM 0 HA ASP B 39 -9.241 1.594 -3.687 1.00 73.54 H new ATOM 0 HB2 ASP B 39 -9.158 2.303 -1.311 1.00 30.24 H new ATOM 0 HB3 ASP B 39 -10.815 2.242 -1.879 1.00 30.24 H new ATOM 1882 N LYS B 40 -8.415 -1.181 -2.123 1.00 72.21 N ATOM 1883 CA LYS B 40 -7.366 -2.128 -1.667 1.00 35.25 C ATOM 1884 C LYS B 40 -6.282 -2.424 -2.730 1.00 21.42 C ATOM 1885 O LYS B 40 -5.082 -2.412 -2.427 1.00 32.24 O ATOM 1886 CB LYS B 40 -8.053 -3.452 -1.256 1.00 1.54 C ATOM 1887 CG LYS B 40 -9.140 -3.297 -0.173 1.00 30.44 C ATOM 1888 CD LYS B 40 -8.566 -2.972 1.221 1.00 21.13 C ATOM 1889 CE LYS B 40 -9.669 -2.793 2.276 1.00 4.20 C ATOM 1890 NZ LYS B 40 -10.552 -1.632 1.971 1.00 74.45 N ATOM 0 H LYS B 40 -9.356 -1.556 -2.006 1.00 72.21 H new ATOM 0 HA LYS B 40 -6.850 -1.658 -0.830 1.00 35.25 H new ATOM 0 HB2 LYS B 40 -8.501 -3.904 -2.141 1.00 1.54 H new ATOM 0 HB3 LYS B 40 -7.293 -4.144 -0.894 1.00 1.54 H new ATOM 0 HG2 LYS B 40 -9.828 -2.505 -0.469 1.00 30.44 H new ATOM 0 HG3 LYS B 40 -9.720 -4.218 -0.115 1.00 30.44 H new ATOM 0 HD2 LYS B 40 -7.895 -3.773 1.532 1.00 21.13 H new ATOM 0 HD3 LYS B 40 -7.970 -2.061 1.163 1.00 21.13 H new ATOM 0 HE2 LYS B 40 -10.270 -3.701 2.330 1.00 4.20 H new ATOM 0 HE3 LYS B 40 -9.213 -2.654 3.256 1.00 4.20 H new ATOM 0 HZ1 LYS B 40 -11.009 -1.304 2.846 1.00 74.45 H new ATOM 0 HZ2 LYS B 40 -9.984 -0.860 1.567 1.00 74.45 H new ATOM 0 HZ3 LYS B 40 -11.281 -1.920 1.287 1.00 74.45 H new ATOM 1904 N ASP B 41 -6.725 -2.659 -3.974 1.00 23.20 N ATOM 1905 CA ASP B 41 -5.828 -3.035 -5.083 1.00 21.44 C ATOM 1906 C ASP B 41 -4.919 -1.857 -5.494 1.00 41.14 C ATOM 1907 O ASP B 41 -3.769 -2.059 -5.904 1.00 51.24 O ATOM 1908 CB ASP B 41 -6.659 -3.527 -6.287 1.00 25.15 C ATOM 1909 CG ASP B 41 -7.395 -4.837 -5.985 1.00 11.00 C ATOM 1910 OD1 ASP B 41 -6.793 -5.914 -6.153 1.00 22.23 O ATOM 1911 OD2 ASP B 41 -8.563 -4.796 -5.563 1.00 50.41 O ATOM 0 H ASP B 41 -7.707 -2.595 -4.241 1.00 23.20 H new ATOM 0 HA ASP B 41 -5.182 -3.844 -4.742 1.00 21.44 H new ATOM 0 HB2 ASP B 41 -7.383 -2.761 -6.564 1.00 25.15 H new ATOM 0 HB3 ASP B 41 -6.003 -3.670 -7.145 1.00 25.15 H new ATOM 1916 N PHE B 42 -5.442 -0.628 -5.346 1.00 43.11 N ATOM 1917 CA PHE B 42 -4.681 0.591 -5.639 1.00 71.11 C ATOM 1918 C PHE B 42 -3.483 0.763 -4.671 1.00 21.20 C ATOM 1919 O PHE B 42 -2.406 1.136 -5.108 1.00 4.14 O ATOM 1920 CB PHE B 42 -5.592 1.845 -5.592 1.00 20.50 C ATOM 1921 CG PHE B 42 -4.813 3.135 -5.791 1.00 40.44 C ATOM 1922 CD1 PHE B 42 -4.274 3.447 -7.037 1.00 41.31 C ATOM 1923 CD2 PHE B 42 -4.570 4.005 -4.727 1.00 75.15 C ATOM 1924 CE1 PHE B 42 -3.532 4.590 -7.213 1.00 40.12 C ATOM 1925 CE2 PHE B 42 -3.822 5.147 -4.906 1.00 64.25 C ATOM 1926 CZ PHE B 42 -3.305 5.440 -6.149 1.00 50.54 C ATOM 0 H PHE B 42 -6.394 -0.456 -5.023 1.00 43.11 H new ATOM 0 HA PHE B 42 -4.287 0.486 -6.650 1.00 71.11 H new ATOM 0 HB2 PHE B 42 -6.358 1.764 -6.363 1.00 20.50 H new ATOM 0 HB3 PHE B 42 -6.108 1.880 -4.633 1.00 20.50 H new ATOM 0 HD1 PHE B 42 -4.441 2.784 -7.873 1.00 41.31 H new ATOM 0 HD2 PHE B 42 -4.974 3.780 -3.751 1.00 75.15 H new ATOM 0 HE1 PHE B 42 -3.125 4.824 -8.186 1.00 40.12 H new ATOM 0 HE2 PHE B 42 -3.641 5.811 -4.074 1.00 64.25 H new ATOM 0 HZ PHE B 42 -2.721 6.337 -6.291 1.00 50.54 H new ATOM 1936 N PHE B 43 -3.690 0.496 -3.368 1.00 31.22 N ATOM 1937 CA PHE B 43 -2.643 0.714 -2.330 1.00 31.43 C ATOM 1938 C PHE B 43 -1.388 -0.162 -2.561 1.00 24.31 C ATOM 1939 O PHE B 43 -0.261 0.331 -2.478 1.00 21.34 O ATOM 1940 CB PHE B 43 -3.201 0.449 -0.916 1.00 63.35 C ATOM 1941 CG PHE B 43 -4.314 1.401 -0.486 1.00 74.11 C ATOM 1942 CD1 PHE B 43 -4.060 2.762 -0.287 1.00 71.43 C ATOM 1943 CD2 PHE B 43 -5.603 0.937 -0.258 1.00 22.12 C ATOM 1944 CE1 PHE B 43 -5.066 3.615 0.127 1.00 5.40 C ATOM 1945 CE2 PHE B 43 -6.605 1.790 0.151 1.00 71.24 C ATOM 1946 CZ PHE B 43 -6.339 3.128 0.344 1.00 20.11 C ATOM 0 H PHE B 43 -4.568 0.129 -3.001 1.00 31.22 H new ATOM 0 HA PHE B 43 -2.344 1.759 -2.414 1.00 31.43 H new ATOM 0 HB2 PHE B 43 -3.578 -0.573 -0.873 1.00 63.35 H new ATOM 0 HB3 PHE B 43 -2.384 0.518 -0.198 1.00 63.35 H new ATOM 0 HD1 PHE B 43 -3.067 3.151 -0.459 1.00 71.43 H new ATOM 0 HD2 PHE B 43 -5.824 -0.110 -0.404 1.00 22.12 H new ATOM 0 HE1 PHE B 43 -4.856 4.663 0.281 1.00 5.40 H new ATOM 0 HE2 PHE B 43 -7.601 1.409 0.321 1.00 71.24 H new ATOM 0 HZ PHE B 43 -7.126 3.795 0.665 1.00 20.11 H new ATOM 1956 N LEU B 44 -1.603 -1.459 -2.849 1.00 74.12 N ATOM 1957 CA LEU B 44 -0.502 -2.423 -3.101 1.00 24.31 C ATOM 1958 C LEU B 44 0.234 -2.099 -4.425 1.00 45.11 C ATOM 1959 O LEU B 44 1.468 -2.180 -4.490 1.00 64.44 O ATOM 1960 CB LEU B 44 -1.035 -3.888 -3.088 1.00 5.42 C ATOM 1961 CG LEU B 44 -1.347 -4.501 -1.672 1.00 72.31 C ATOM 1962 CD1 LEU B 44 -2.465 -3.736 -0.921 1.00 13.12 C ATOM 1963 CD2 LEU B 44 -1.682 -6.004 -1.776 1.00 51.02 C ATOM 0 H LEU B 44 -2.534 -1.871 -2.915 1.00 74.12 H new ATOM 0 HA LEU B 44 0.224 -2.326 -2.294 1.00 24.31 H new ATOM 0 HB2 LEU B 44 -1.945 -3.927 -3.686 1.00 5.42 H new ATOM 0 HB3 LEU B 44 -0.301 -4.524 -3.583 1.00 5.42 H new ATOM 0 HG LEU B 44 -0.438 -4.390 -1.081 1.00 72.31 H new ATOM 0 HD11 LEU B 44 -2.637 -4.203 0.049 1.00 13.12 H new ATOM 0 HD12 LEU B 44 -2.162 -2.699 -0.776 1.00 13.12 H new ATOM 0 HD13 LEU B 44 -3.384 -3.767 -1.507 1.00 13.12 H new ATOM 0 HD21 LEU B 44 -1.893 -6.399 -0.782 1.00 51.02 H new ATOM 0 HD22 LEU B 44 -2.556 -6.139 -2.413 1.00 51.02 H new ATOM 0 HD23 LEU B 44 -0.834 -6.537 -2.206 1.00 51.02 H new ATOM 1975 N GLY B 45 -0.537 -1.708 -5.466 1.00 42.41 N ATOM 1976 CA GLY B 45 0.047 -1.228 -6.732 1.00 34.41 C ATOM 1977 C GLY B 45 0.899 0.041 -6.555 1.00 14.01 C ATOM 1978 O GLY B 45 2.045 0.093 -6.988 1.00 41.35 O ATOM 0 H GLY B 45 -1.557 -1.717 -5.451 1.00 42.41 H new ATOM 0 HA2 GLY B 45 0.664 -2.016 -7.164 1.00 34.41 H new ATOM 0 HA3 GLY B 45 -0.755 -1.025 -7.442 1.00 34.41 H new ATOM 1982 N LEU B 46 0.336 1.032 -5.844 1.00 65.32 N ATOM 1983 CA LEU B 46 1.012 2.316 -5.519 1.00 22.33 C ATOM 1984 C LEU B 46 2.276 2.094 -4.654 1.00 24.23 C ATOM 1985 O LEU B 46 3.274 2.803 -4.806 1.00 13.31 O ATOM 1986 CB LEU B 46 0.022 3.257 -4.779 1.00 70.44 C ATOM 1987 CG LEU B 46 0.613 4.594 -4.222 1.00 44.14 C ATOM 1988 CD1 LEU B 46 1.222 5.454 -5.349 1.00 21.20 C ATOM 1989 CD2 LEU B 46 -0.443 5.377 -3.406 1.00 32.24 C ATOM 0 H LEU B 46 -0.611 0.971 -5.471 1.00 65.32 H new ATOM 0 HA LEU B 46 1.328 2.776 -6.455 1.00 22.33 H new ATOM 0 HB2 LEU B 46 -0.791 3.502 -5.462 1.00 70.44 H new ATOM 0 HB3 LEU B 46 -0.416 2.705 -3.947 1.00 70.44 H new ATOM 0 HG LEU B 46 1.425 4.339 -3.540 1.00 44.14 H new ATOM 0 HD11 LEU B 46 1.623 6.375 -4.927 1.00 21.20 H new ATOM 0 HD12 LEU B 46 2.023 4.899 -5.837 1.00 21.20 H new ATOM 0 HD13 LEU B 46 0.450 5.696 -6.080 1.00 21.20 H new ATOM 0 HD21 LEU B 46 -0.002 6.301 -3.032 1.00 32.24 H new ATOM 0 HD22 LEU B 46 -1.294 5.613 -4.044 1.00 32.24 H new ATOM 0 HD23 LEU B 46 -0.778 4.769 -2.566 1.00 32.24 H new ATOM 2001 N GLY B 47 2.219 1.085 -3.776 1.00 25.12 N ATOM 2002 CA GLY B 47 3.360 0.713 -2.926 1.00 61.24 C ATOM 2003 C GLY B 47 4.554 0.225 -3.747 1.00 44.23 C ATOM 2004 O GLY B 47 5.714 0.426 -3.376 1.00 2.20 O ATOM 0 H GLY B 47 1.390 0.508 -3.634 1.00 25.12 H new ATOM 0 HA2 GLY B 47 3.660 1.572 -2.326 1.00 61.24 H new ATOM 0 HA3 GLY B 47 3.054 -0.069 -2.231 1.00 61.24 H new ATOM 2008 N TRP B 48 4.243 -0.410 -4.887 1.00 11.20 N ATOM 2009 CA TRP B 48 5.247 -0.882 -5.852 1.00 65.12 C ATOM 2010 C TRP B 48 5.778 0.289 -6.738 1.00 15.24 C ATOM 2011 O TRP B 48 6.923 0.266 -7.209 1.00 0.13 O ATOM 2012 CB TRP B 48 4.640 -2.018 -6.708 1.00 13.35 C ATOM 2013 CG TRP B 48 5.669 -2.932 -7.321 1.00 61.14 C ATOM 2014 CD1 TRP B 48 6.365 -2.745 -8.480 1.00 24.11 C ATOM 2015 CD2 TRP B 48 6.117 -4.179 -6.783 1.00 34.32 C ATOM 2016 NE1 TRP B 48 7.232 -3.785 -8.680 1.00 4.34 N ATOM 2017 CE2 TRP B 48 7.091 -4.685 -7.656 1.00 11.31 C ATOM 2018 CE3 TRP B 48 5.783 -4.913 -5.643 1.00 50.50 C ATOM 2019 CZ2 TRP B 48 7.742 -5.896 -7.423 1.00 31.24 C ATOM 2020 CZ3 TRP B 48 6.423 -6.112 -5.415 1.00 74.15 C ATOM 2021 CH2 TRP B 48 7.394 -6.595 -6.299 1.00 4.34 C ATOM 0 H TRP B 48 3.283 -0.611 -5.167 1.00 11.20 H new ATOM 0 HA TRP B 48 6.106 -1.275 -5.309 1.00 65.12 H new ATOM 0 HB2 TRP B 48 3.967 -2.609 -6.087 1.00 13.35 H new ATOM 0 HB3 TRP B 48 4.037 -1.579 -7.503 1.00 13.35 H new ATOM 0 HD1 TRP B 48 6.249 -1.900 -9.142 1.00 24.11 H new ATOM 0 HE1 TRP B 48 7.878 -3.876 -9.464 1.00 4.34 H new ATOM 0 HE3 TRP B 48 5.037 -4.548 -4.953 1.00 50.50 H new ATOM 0 HZ2 TRP B 48 8.493 -6.268 -8.104 1.00 31.24 H new ATOM 0 HZ3 TRP B 48 6.170 -6.689 -4.538 1.00 74.15 H new ATOM 0 HH2 TRP B 48 7.878 -7.538 -6.090 1.00 4.34 H new ATOM 2032 N LEU B 49 4.930 1.300 -6.981 1.00 2.32 N ATOM 2033 CA LEU B 49 5.354 2.572 -7.632 1.00 5.24 C ATOM 2034 C LEU B 49 6.362 3.342 -6.737 1.00 34.11 C ATOM 2035 O LEU B 49 7.348 3.907 -7.229 1.00 14.33 O ATOM 2036 CB LEU B 49 4.106 3.458 -7.950 1.00 71.12 C ATOM 2037 CG LEU B 49 3.330 3.165 -9.279 1.00 21.14 C ATOM 2038 CD1 LEU B 49 3.059 1.681 -9.463 1.00 23.13 C ATOM 2039 CD2 LEU B 49 2.004 3.959 -9.326 1.00 41.31 C ATOM 0 H LEU B 49 3.940 1.271 -6.739 1.00 2.32 H new ATOM 0 HA LEU B 49 5.856 2.330 -8.569 1.00 5.24 H new ATOM 0 HB2 LEU B 49 3.404 3.360 -7.122 1.00 71.12 H new ATOM 0 HB3 LEU B 49 4.429 4.499 -7.972 1.00 71.12 H new ATOM 0 HG LEU B 49 3.968 3.491 -10.101 1.00 21.14 H new ATOM 0 HD11 LEU B 49 2.519 1.523 -10.397 1.00 23.13 H new ATOM 0 HD12 LEU B 49 4.005 1.140 -9.494 1.00 23.13 H new ATOM 0 HD13 LEU B 49 2.459 1.315 -8.630 1.00 23.13 H new ATOM 0 HD21 LEU B 49 1.482 3.740 -10.257 1.00 41.31 H new ATOM 0 HD22 LEU B 49 1.377 3.671 -8.482 1.00 41.31 H new ATOM 0 HD23 LEU B 49 2.217 5.027 -9.272 1.00 41.31 H new ATOM 2051 N LEU B 50 6.086 3.345 -5.422 1.00 24.34 N ATOM 2052 CA LEU B 50 6.957 3.953 -4.391 1.00 12.21 C ATOM 2053 C LEU B 50 8.240 3.122 -4.154 1.00 31.21 C ATOM 2054 O LEU B 50 9.295 3.693 -3.854 1.00 51.33 O ATOM 2055 CB LEU B 50 6.166 4.133 -3.060 1.00 12.43 C ATOM 2056 CG LEU B 50 5.021 5.200 -3.086 1.00 23.13 C ATOM 2057 CD1 LEU B 50 4.186 5.167 -1.783 1.00 32.24 C ATOM 2058 CD2 LEU B 50 5.596 6.613 -3.351 1.00 11.31 C ATOM 0 H LEU B 50 5.242 2.921 -5.036 1.00 24.34 H new ATOM 0 HA LEU B 50 7.270 4.931 -4.756 1.00 12.21 H new ATOM 0 HB2 LEU B 50 5.734 3.171 -2.783 1.00 12.43 H new ATOM 0 HB3 LEU B 50 6.871 4.404 -2.274 1.00 12.43 H new ATOM 0 HG LEU B 50 4.348 4.950 -3.906 1.00 23.13 H new ATOM 0 HD11 LEU B 50 3.400 5.921 -1.835 1.00 32.24 H new ATOM 0 HD12 LEU B 50 3.736 4.181 -1.664 1.00 32.24 H new ATOM 0 HD13 LEU B 50 4.833 5.376 -0.931 1.00 32.24 H new ATOM 0 HD21 LEU B 50 4.784 7.340 -3.365 1.00 11.31 H new ATOM 0 HD22 LEU B 50 6.301 6.873 -2.562 1.00 11.31 H new ATOM 0 HD23 LEU B 50 6.108 6.623 -4.313 1.00 11.31 H new ATOM 2070 N ARG B 51 8.139 1.771 -4.267 1.00 30.14 N ATOM 2071 CA ARG B 51 9.305 0.857 -4.093 1.00 31.44 C ATOM 2072 C ARG B 51 10.393 1.105 -5.163 1.00 31.22 C ATOM 2073 O ARG B 51 11.565 0.814 -4.933 1.00 12.31 O ATOM 2074 CB ARG B 51 8.856 -0.652 -4.072 1.00 45.15 C ATOM 2075 CG ARG B 51 8.805 -1.419 -5.429 1.00 31.12 C ATOM 2076 CD ARG B 51 10.022 -2.325 -5.687 1.00 34.15 C ATOM 2077 NE ARG B 51 9.973 -2.911 -7.038 1.00 75.41 N ATOM 2078 CZ ARG B 51 10.851 -3.745 -7.543 1.00 4.02 C ATOM 2079 NH1 ARG B 51 11.836 -4.210 -6.846 1.00 64.41 N ATOM 2080 NH2 ARG B 51 10.741 -4.091 -8.780 1.00 22.01 N ATOM 0 H ARG B 51 7.265 1.289 -4.477 1.00 30.14 H new ATOM 0 HA ARG B 51 9.748 1.083 -3.123 1.00 31.44 H new ATOM 0 HB2 ARG B 51 9.531 -1.192 -3.408 1.00 45.15 H new ATOM 0 HB3 ARG B 51 7.863 -0.699 -3.624 1.00 45.15 H new ATOM 0 HG2 ARG B 51 7.901 -2.027 -5.456 1.00 31.12 H new ATOM 0 HG3 ARG B 51 8.726 -0.695 -6.240 1.00 31.12 H new ATOM 0 HD2 ARG B 51 10.939 -1.748 -5.571 1.00 34.15 H new ATOM 0 HD3 ARG B 51 10.050 -3.121 -4.943 1.00 34.15 H new ATOM 0 HE ARG B 51 9.188 -2.645 -7.633 1.00 75.41 H new ATOM 0 HH11 ARG B 51 11.948 -3.930 -5.872 1.00 64.41 H new ATOM 0 HH12 ARG B 51 12.501 -4.857 -7.271 1.00 64.41 H new ATOM 0 HH21 ARG B 51 9.981 -3.717 -9.348 1.00 22.01 H new ATOM 0 HH22 ARG B 51 11.414 -4.738 -9.190 1.00 22.01 H new ATOM 2094 N GLU B 52 9.983 1.619 -6.343 1.00 41.13 N ATOM 2095 CA GLU B 52 10.910 1.989 -7.440 1.00 61.35 C ATOM 2096 C GLU B 52 11.055 3.520 -7.591 1.00 15.34 C ATOM 2097 O GLU B 52 11.829 3.973 -8.441 1.00 3.24 O ATOM 2098 CB GLU B 52 10.427 1.348 -8.773 1.00 73.24 C ATOM 2099 CG GLU B 52 10.561 -0.189 -8.823 1.00 62.14 C ATOM 2100 CD GLU B 52 9.935 -0.845 -10.063 1.00 24.51 C ATOM 2101 OE1 GLU B 52 10.232 -0.411 -11.189 1.00 40.51 O ATOM 2102 OE2 GLU B 52 9.116 -1.778 -9.916 1.00 54.43 O ATOM 0 H GLU B 52 9.002 1.790 -6.564 1.00 41.13 H new ATOM 0 HA GLU B 52 11.898 1.603 -7.188 1.00 61.35 H new ATOM 0 HB2 GLU B 52 9.383 1.616 -8.934 1.00 73.24 H new ATOM 0 HB3 GLU B 52 10.997 1.778 -9.597 1.00 73.24 H new ATOM 0 HG2 GLU B 52 11.619 -0.450 -8.785 1.00 62.14 H new ATOM 0 HG3 GLU B 52 10.096 -0.610 -7.932 1.00 62.14 H new ATOM 2109 N ASP B 53 10.280 4.299 -6.798 1.00 20.31 N ATOM 2110 CA ASP B 53 10.375 5.781 -6.744 1.00 30.23 C ATOM 2111 C ASP B 53 10.021 6.430 -8.114 1.00 71.22 C ATOM 2112 O ASP B 53 10.583 7.460 -8.498 1.00 14.23 O ATOM 2113 CB ASP B 53 11.778 6.226 -6.238 1.00 30.42 C ATOM 2114 CG ASP B 53 12.044 5.817 -4.782 1.00 52.03 C ATOM 2115 OD1 ASP B 53 12.464 4.669 -4.539 1.00 43.25 O ATOM 2116 OD2 ASP B 53 11.855 6.648 -3.880 1.00 71.34 O ATOM 0 H ASP B 53 9.568 3.917 -6.175 1.00 20.31 H new ATOM 0 HA ASP B 53 9.635 6.138 -6.027 1.00 30.23 H new ATOM 0 HB2 ASP B 53 12.545 5.791 -6.879 1.00 30.42 H new ATOM 0 HB3 ASP B 53 11.865 7.309 -6.328 1.00 30.42 H new ATOM 2121 N LYS B 54 9.062 5.812 -8.825 1.00 14.33 N ATOM 2122 CA LYS B 54 8.596 6.277 -10.151 1.00 11.24 C ATOM 2123 C LYS B 54 7.477 7.339 -10.027 1.00 0.05 C ATOM 2124 O LYS B 54 7.083 7.949 -11.029 1.00 54.45 O ATOM 2125 CB LYS B 54 8.093 5.061 -10.971 1.00 64.55 C ATOM 2126 CG LYS B 54 9.173 3.987 -11.227 1.00 33.33 C ATOM 2127 CD LYS B 54 8.636 2.724 -11.934 1.00 62.00 C ATOM 2128 CE LYS B 54 7.604 1.939 -11.100 1.00 60.14 C ATOM 2129 NZ LYS B 54 7.380 0.580 -11.649 1.00 1.44 N ATOM 0 H LYS B 54 8.584 4.972 -8.498 1.00 14.33 H new ATOM 0 HA LYS B 54 9.435 6.749 -10.663 1.00 11.24 H new ATOM 0 HB2 LYS B 54 7.256 4.602 -10.445 1.00 64.55 H new ATOM 0 HB3 LYS B 54 7.712 5.414 -11.929 1.00 64.55 H new ATOM 0 HG2 LYS B 54 9.968 4.421 -11.833 1.00 33.33 H new ATOM 0 HG3 LYS B 54 9.619 3.698 -10.275 1.00 33.33 H new ATOM 0 HD2 LYS B 54 8.180 3.014 -12.881 1.00 62.00 H new ATOM 0 HD3 LYS B 54 9.473 2.068 -12.172 1.00 62.00 H new ATOM 0 HE2 LYS B 54 7.950 1.863 -10.069 1.00 60.14 H new ATOM 0 HE3 LYS B 54 6.660 2.484 -11.080 1.00 60.14 H new ATOM 0 HZ1 LYS B 54 6.845 0.012 -10.962 1.00 1.44 H new ATOM 0 HZ2 LYS B 54 6.841 0.648 -12.536 1.00 1.44 H new ATOM 0 HZ3 LYS B 54 8.297 0.125 -11.835 1.00 1.44 H new ATOM 2143 N VAL B 55 6.968 7.552 -8.792 1.00 1.33 N ATOM 2144 CA VAL B 55 5.875 8.514 -8.520 1.00 13.42 C ATOM 2145 C VAL B 55 6.180 9.419 -7.305 1.00 2.22 C ATOM 2146 O VAL B 55 6.963 9.058 -6.421 1.00 60.11 O ATOM 2147 CB VAL B 55 4.505 7.781 -8.272 1.00 13.00 C ATOM 2148 CG1 VAL B 55 4.050 6.996 -9.526 1.00 42.01 C ATOM 2149 CG2 VAL B 55 4.566 6.873 -7.016 1.00 54.14 C ATOM 0 H VAL B 55 7.301 7.065 -7.960 1.00 1.33 H new ATOM 0 HA VAL B 55 5.799 9.136 -9.412 1.00 13.42 H new ATOM 0 HB VAL B 55 3.753 8.546 -8.079 1.00 13.00 H new ATOM 0 HG11 VAL B 55 3.101 6.501 -9.321 1.00 42.01 H new ATOM 0 HG12 VAL B 55 3.927 7.685 -10.362 1.00 42.01 H new ATOM 0 HG13 VAL B 55 4.801 6.248 -9.780 1.00 42.01 H new ATOM 0 HG21 VAL B 55 3.603 6.382 -6.875 1.00 54.14 H new ATOM 0 HG22 VAL B 55 5.341 6.119 -7.150 1.00 54.14 H new ATOM 0 HG23 VAL B 55 4.796 7.479 -6.140 1.00 54.14 H new ATOM 2159 N VAL B 56 5.546 10.606 -7.288 1.00 30.04 N ATOM 2160 CA VAL B 56 5.529 11.516 -6.125 1.00 53.45 C ATOM 2161 C VAL B 56 4.102 11.568 -5.541 1.00 31.44 C ATOM 2162 O VAL B 56 3.148 11.882 -6.255 1.00 54.33 O ATOM 2163 CB VAL B 56 6.000 12.971 -6.509 1.00 34.13 C ATOM 2164 CG1 VAL B 56 6.057 13.903 -5.266 1.00 22.01 C ATOM 2165 CG2 VAL B 56 7.360 12.943 -7.249 1.00 4.35 C ATOM 0 H VAL B 56 5.026 10.965 -8.089 1.00 30.04 H new ATOM 0 HA VAL B 56 6.228 11.129 -5.383 1.00 53.45 H new ATOM 0 HB VAL B 56 5.256 13.383 -7.191 1.00 34.13 H new ATOM 0 HG11 VAL B 56 6.386 14.897 -5.571 1.00 22.01 H new ATOM 0 HG12 VAL B 56 5.066 13.971 -4.816 1.00 22.01 H new ATOM 0 HG13 VAL B 56 6.759 13.496 -4.538 1.00 22.01 H new ATOM 0 HG21 VAL B 56 7.658 13.961 -7.501 1.00 4.35 H new ATOM 0 HG22 VAL B 56 8.115 12.492 -6.605 1.00 4.35 H new ATOM 0 HG23 VAL B 56 7.265 12.356 -8.163 1.00 4.35 H new ATOM 2175 N THR B 57 3.966 11.276 -4.239 1.00 1.24 N ATOM 2176 CA THR B 57 2.653 11.218 -3.556 1.00 74.04 C ATOM 2177 C THR B 57 2.397 12.475 -2.693 1.00 14.21 C ATOM 2178 O THR B 57 3.317 13.062 -2.112 1.00 34.11 O ATOM 2179 CB THR B 57 2.528 9.931 -2.675 1.00 51.14 C ATOM 2180 OG1 THR B 57 3.678 9.801 -1.816 1.00 61.12 O ATOM 2181 CG2 THR B 57 2.380 8.664 -3.538 1.00 12.11 C ATOM 0 H THR B 57 4.756 11.073 -3.627 1.00 1.24 H new ATOM 0 HA THR B 57 1.894 11.183 -4.338 1.00 74.04 H new ATOM 0 HB THR B 57 1.629 10.035 -2.068 1.00 51.14 H new ATOM 0 HG1 THR B 57 3.588 8.993 -1.268 1.00 61.12 H new ATOM 0 HG21 THR B 57 2.296 7.791 -2.891 1.00 12.11 H new ATOM 0 HG22 THR B 57 1.485 8.746 -4.155 1.00 12.11 H new ATOM 0 HG23 THR B 57 3.254 8.557 -4.180 1.00 12.11 H new ATOM 2189 N SER B 58 1.115 12.868 -2.628 1.00 42.41 N ATOM 2190 CA SER B 58 0.639 14.107 -1.973 1.00 52.10 C ATOM 2191 C SER B 58 -0.782 13.884 -1.416 1.00 63.25 C ATOM 2192 O SER B 58 -1.373 12.829 -1.635 1.00 55.40 O ATOM 2193 CB SER B 58 0.645 15.280 -2.987 1.00 41.31 C ATOM 2194 OG SER B 58 1.960 15.544 -3.478 1.00 64.15 O ATOM 0 H SER B 58 0.358 12.322 -3.039 1.00 42.41 H new ATOM 0 HA SER B 58 1.307 14.359 -1.149 1.00 52.10 H new ATOM 0 HB2 SER B 58 -0.015 15.044 -3.822 1.00 41.31 H new ATOM 0 HB3 SER B 58 0.247 16.176 -2.510 1.00 41.31 H new ATOM 0 HG SER B 58 1.928 16.287 -4.116 1.00 64.15 H new ATOM 2200 N GLU B 59 -1.315 14.852 -0.655 1.00 30.01 N ATOM 2201 CA GLU B 59 -2.710 14.786 -0.151 1.00 21.43 C ATOM 2202 C GLU B 59 -3.552 15.937 -0.746 1.00 54.22 C ATOM 2203 O GLU B 59 -3.334 17.105 -0.426 1.00 54.13 O ATOM 2204 CB GLU B 59 -2.714 14.834 1.397 1.00 22.51 C ATOM 2205 CG GLU B 59 -4.103 14.645 2.042 1.00 41.41 C ATOM 2206 CD GLU B 59 -4.059 14.703 3.578 1.00 33.24 C ATOM 2207 OE1 GLU B 59 -3.677 13.696 4.209 1.00 15.12 O ATOM 2208 OE2 GLU B 59 -4.390 15.761 4.161 1.00 43.50 O ATOM 0 H GLU B 59 -0.809 15.691 -0.372 1.00 30.01 H new ATOM 0 HA GLU B 59 -3.160 13.845 -0.467 1.00 21.43 H new ATOM 0 HB2 GLU B 59 -2.045 14.060 1.773 1.00 22.51 H new ATOM 0 HB3 GLU B 59 -2.306 15.792 1.719 1.00 22.51 H new ATOM 0 HG2 GLU B 59 -4.778 15.417 1.673 1.00 41.41 H new ATOM 0 HG3 GLU B 59 -4.516 13.685 1.731 1.00 41.41 H new ATOM 2215 N VAL B 60 -4.484 15.593 -1.656 1.00 31.22 N ATOM 2216 CA VAL B 60 -5.427 16.554 -2.275 1.00 35.10 C ATOM 2217 C VAL B 60 -6.879 16.182 -1.916 1.00 10.01 C ATOM 2218 O VAL B 60 -7.314 15.050 -2.176 1.00 31.44 O ATOM 2219 CB VAL B 60 -5.260 16.575 -3.844 1.00 53.13 C ATOM 2220 CG1 VAL B 60 -6.340 17.434 -4.551 1.00 31.32 C ATOM 2221 CG2 VAL B 60 -3.854 17.061 -4.241 1.00 5.04 C ATOM 0 H VAL B 60 -4.607 14.636 -1.986 1.00 31.22 H new ATOM 0 HA VAL B 60 -5.201 17.547 -1.886 1.00 35.10 H new ATOM 0 HB VAL B 60 -5.393 15.547 -4.181 1.00 53.13 H new ATOM 0 HG11 VAL B 60 -6.175 17.411 -5.628 1.00 31.32 H new ATOM 0 HG12 VAL B 60 -7.328 17.033 -4.327 1.00 31.32 H new ATOM 0 HG13 VAL B 60 -6.277 18.463 -4.196 1.00 31.32 H new ATOM 0 HG21 VAL B 60 -3.764 17.066 -5.327 1.00 5.04 H new ATOM 0 HG22 VAL B 60 -3.696 18.070 -3.859 1.00 5.04 H new ATOM 0 HG23 VAL B 60 -3.105 16.392 -3.818 1.00 5.04 H new ATOM 2231 N GLU B 61 -7.603 17.150 -1.309 1.00 10.45 N ATOM 2232 CA GLU B 61 -9.046 17.039 -0.992 1.00 2.24 C ATOM 2233 C GLU B 61 -9.331 15.877 -0.009 1.00 1.33 C ATOM 2234 O GLU B 61 -10.358 15.201 -0.100 1.00 74.41 O ATOM 2235 CB GLU B 61 -9.860 16.905 -2.314 1.00 41.23 C ATOM 2236 CG GLU B 61 -9.701 18.093 -3.287 1.00 53.14 C ATOM 2237 CD GLU B 61 -10.425 19.369 -2.827 1.00 62.41 C ATOM 2238 OE1 GLU B 61 -9.836 20.163 -2.065 1.00 54.41 O ATOM 2239 OE2 GLU B 61 -11.588 19.581 -3.225 1.00 33.02 O ATOM 0 H GLU B 61 -7.197 18.041 -1.022 1.00 10.45 H new ATOM 0 HA GLU B 61 -9.365 17.948 -0.482 1.00 2.24 H new ATOM 0 HB2 GLU B 61 -9.554 15.991 -2.823 1.00 41.23 H new ATOM 0 HB3 GLU B 61 -10.916 16.793 -2.066 1.00 41.23 H new ATOM 0 HG2 GLU B 61 -8.640 18.312 -3.409 1.00 53.14 H new ATOM 0 HG3 GLU B 61 -10.082 17.803 -4.266 1.00 53.14 H new ATOM 2246 N GLY B 62 -8.392 15.660 0.934 1.00 42.52 N ATOM 2247 CA GLY B 62 -8.495 14.580 1.933 1.00 73.21 C ATOM 2248 C GLY B 62 -7.991 13.214 1.449 1.00 51.21 C ATOM 2249 O GLY B 62 -7.560 12.387 2.261 1.00 11.02 O ATOM 0 H GLY B 62 -7.547 16.225 1.023 1.00 42.52 H new ATOM 0 HA2 GLY B 62 -7.930 14.868 2.820 1.00 73.21 H new ATOM 0 HA3 GLY B 62 -9.537 14.482 2.237 1.00 73.21 H new ATOM 2253 N GLU B 63 -8.049 12.967 0.129 1.00 13.10 N ATOM 2254 CA GLU B 63 -7.598 11.696 -0.468 1.00 21.23 C ATOM 2255 C GLU B 63 -6.157 11.784 -1.009 1.00 53.53 C ATOM 2256 O GLU B 63 -5.529 12.849 -1.012 1.00 64.24 O ATOM 2257 CB GLU B 63 -8.584 11.257 -1.586 1.00 13.52 C ATOM 2258 CG GLU B 63 -10.019 10.974 -1.096 1.00 74.25 C ATOM 2259 CD GLU B 63 -10.075 9.854 -0.038 1.00 14.44 C ATOM 2260 OE1 GLU B 63 -10.039 8.664 -0.417 1.00 11.41 O ATOM 2261 OE2 GLU B 63 -10.142 10.156 1.177 1.00 5.20 O ATOM 0 H GLU B 63 -8.407 13.637 -0.551 1.00 13.10 H new ATOM 0 HA GLU B 63 -7.591 10.943 0.320 1.00 21.23 H new ATOM 0 HB2 GLU B 63 -8.620 12.036 -2.348 1.00 13.52 H new ATOM 0 HB3 GLU B 63 -8.194 10.360 -2.066 1.00 13.52 H new ATOM 0 HG2 GLU B 63 -10.442 11.887 -0.676 1.00 74.25 H new ATOM 0 HG3 GLU B 63 -10.641 10.696 -1.947 1.00 74.25 H new ATOM 2268 N ILE B 64 -5.642 10.633 -1.466 1.00 62.21 N ATOM 2269 CA ILE B 64 -4.261 10.509 -1.981 1.00 43.42 C ATOM 2270 C ILE B 64 -4.149 11.075 -3.425 1.00 11.55 C ATOM 2271 O ILE B 64 -5.039 10.879 -4.241 1.00 13.34 O ATOM 2272 CB ILE B 64 -3.800 8.999 -1.957 1.00 41.34 C ATOM 2273 CG1 ILE B 64 -3.923 8.413 -0.512 1.00 64.41 C ATOM 2274 CG2 ILE B 64 -2.360 8.815 -2.511 1.00 52.24 C ATOM 2275 CD1 ILE B 64 -3.553 6.940 -0.386 1.00 31.51 C ATOM 0 H ILE B 64 -6.167 9.759 -1.491 1.00 62.21 H new ATOM 0 HA ILE B 64 -3.607 11.092 -1.333 1.00 43.42 H new ATOM 0 HB ILE B 64 -4.466 8.444 -2.618 1.00 41.34 H new ATOM 0 HG12 ILE B 64 -3.284 8.992 0.155 1.00 64.41 H new ATOM 0 HG13 ILE B 64 -4.948 8.546 -0.167 1.00 64.41 H new ATOM 0 HG21 ILE B 64 -2.088 7.760 -2.474 1.00 52.24 H new ATOM 0 HG22 ILE B 64 -2.320 9.164 -3.543 1.00 52.24 H new ATOM 0 HG23 ILE B 64 -1.661 9.391 -1.905 1.00 52.24 H new ATOM 0 HD11 ILE B 64 -3.669 6.623 0.650 1.00 31.51 H new ATOM 0 HD12 ILE B 64 -4.207 6.345 -1.023 1.00 31.51 H new ATOM 0 HD13 ILE B 64 -2.518 6.797 -0.695 1.00 31.51 H new ATOM 2287 N PHE B 65 -3.058 11.798 -3.709 1.00 62.15 N ATOM 2288 CA PHE B 65 -2.692 12.258 -5.066 1.00 74.44 C ATOM 2289 C PHE B 65 -1.359 11.609 -5.468 1.00 53.32 C ATOM 2290 O PHE B 65 -0.421 11.559 -4.673 1.00 63.31 O ATOM 2291 CB PHE B 65 -2.568 13.801 -5.109 1.00 54.35 C ATOM 2292 CG PHE B 65 -2.121 14.361 -6.467 1.00 75.44 C ATOM 2293 CD1 PHE B 65 -2.989 14.366 -7.558 1.00 51.00 C ATOM 2294 CD2 PHE B 65 -0.830 14.865 -6.655 1.00 64.40 C ATOM 2295 CE1 PHE B 65 -2.586 14.853 -8.790 1.00 53.15 C ATOM 2296 CE2 PHE B 65 -0.428 15.350 -7.886 1.00 23.25 C ATOM 2297 CZ PHE B 65 -1.307 15.347 -8.952 1.00 33.21 C ATOM 0 H PHE B 65 -2.390 12.087 -2.994 1.00 62.15 H new ATOM 0 HA PHE B 65 -3.474 11.965 -5.767 1.00 74.44 H new ATOM 0 HB2 PHE B 65 -3.532 14.239 -4.848 1.00 54.35 H new ATOM 0 HB3 PHE B 65 -1.857 14.118 -4.346 1.00 54.35 H new ATOM 0 HD1 PHE B 65 -3.992 13.984 -7.440 1.00 51.00 H new ATOM 0 HD2 PHE B 65 -0.137 14.876 -5.827 1.00 64.40 H new ATOM 0 HE1 PHE B 65 -3.272 14.846 -9.624 1.00 53.15 H new ATOM 0 HE2 PHE B 65 0.574 15.732 -8.014 1.00 23.25 H new ATOM 0 HZ PHE B 65 -0.994 15.731 -9.912 1.00 33.21 H new ATOM 2307 N VAL B 66 -1.283 11.107 -6.702 1.00 2.01 N ATOM 2308 CA VAL B 66 -0.094 10.405 -7.219 1.00 13.45 C ATOM 2309 C VAL B 66 0.292 10.975 -8.599 1.00 13.24 C ATOM 2310 O VAL B 66 -0.458 10.814 -9.565 1.00 65.13 O ATOM 2311 CB VAL B 66 -0.371 8.859 -7.341 1.00 12.42 C ATOM 2312 CG1 VAL B 66 0.884 8.094 -7.819 1.00 73.32 C ATOM 2313 CG2 VAL B 66 -0.909 8.275 -6.010 1.00 25.43 C ATOM 0 H VAL B 66 -2.044 11.173 -7.378 1.00 2.01 H new ATOM 0 HA VAL B 66 0.729 10.557 -6.520 1.00 13.45 H new ATOM 0 HB VAL B 66 -1.144 8.727 -8.098 1.00 12.42 H new ATOM 0 HG11 VAL B 66 0.656 7.031 -7.892 1.00 73.32 H new ATOM 0 HG12 VAL B 66 1.187 8.468 -8.797 1.00 73.32 H new ATOM 0 HG13 VAL B 66 1.695 8.243 -7.106 1.00 73.32 H new ATOM 0 HG21 VAL B 66 -1.090 7.207 -6.128 1.00 25.43 H new ATOM 0 HG22 VAL B 66 -0.175 8.434 -5.220 1.00 25.43 H new ATOM 0 HG23 VAL B 66 -1.841 8.774 -5.744 1.00 25.43 H new ATOM 2323 N LYS B 67 1.454 11.647 -8.693 1.00 40.21 N ATOM 2324 CA LYS B 67 1.978 12.138 -9.992 1.00 64.33 C ATOM 2325 C LYS B 67 3.228 11.333 -10.372 1.00 23.25 C ATOM 2326 O LYS B 67 3.750 10.599 -9.544 1.00 74.00 O ATOM 2327 CB LYS B 67 2.293 13.663 -9.947 1.00 72.21 C ATOM 2328 CG LYS B 67 3.654 14.056 -9.333 1.00 2.15 C ATOM 2329 CD LYS B 67 3.930 15.574 -9.439 1.00 52.34 C ATOM 2330 CE LYS B 67 5.378 15.938 -9.081 1.00 12.24 C ATOM 2331 NZ LYS B 67 6.348 15.308 -10.013 1.00 62.11 N ATOM 0 H LYS B 67 2.049 11.864 -7.893 1.00 40.21 H new ATOM 0 HA LYS B 67 1.210 11.995 -10.752 1.00 64.33 H new ATOM 0 HB2 LYS B 67 2.250 14.053 -10.964 1.00 72.21 H new ATOM 0 HB3 LYS B 67 1.505 14.160 -9.381 1.00 72.21 H new ATOM 0 HG2 LYS B 67 3.677 13.757 -8.285 1.00 2.15 H new ATOM 0 HG3 LYS B 67 4.450 13.508 -9.838 1.00 2.15 H new ATOM 0 HD2 LYS B 67 3.716 15.908 -10.454 1.00 52.34 H new ATOM 0 HD3 LYS B 67 3.250 16.110 -8.777 1.00 52.34 H new ATOM 0 HE2 LYS B 67 5.498 17.021 -9.107 1.00 12.24 H new ATOM 0 HE3 LYS B 67 5.592 15.618 -8.061 1.00 12.24 H new ATOM 0 HZ1 LYS B 67 7.317 15.520 -9.701 1.00 62.11 H new ATOM 0 HZ2 LYS B 67 6.204 14.278 -10.020 1.00 62.11 H new ATOM 0 HZ3 LYS B 67 6.203 15.684 -10.972 1.00 62.11 H new ATOM 2345 N LEU B 68 3.724 11.469 -11.609 1.00 34.41 N ATOM 2346 CA LEU B 68 4.976 10.789 -12.024 1.00 61.54 C ATOM 2347 C LEU B 68 6.218 11.652 -11.706 1.00 31.32 C ATOM 2348 O LEU B 68 6.143 12.886 -11.659 1.00 0.13 O ATOM 2349 CB LEU B 68 4.944 10.434 -13.534 1.00 53.52 C ATOM 2350 CG LEU B 68 3.826 9.439 -13.991 1.00 21.11 C ATOM 2351 CD1 LEU B 68 4.015 9.026 -15.464 1.00 12.03 C ATOM 2352 CD2 LEU B 68 3.764 8.195 -13.080 1.00 34.24 C ATOM 0 H LEU B 68 3.290 12.035 -12.338 1.00 34.41 H new ATOM 0 HA LEU B 68 5.047 9.864 -11.451 1.00 61.54 H new ATOM 0 HB2 LEU B 68 4.831 11.359 -14.100 1.00 53.52 H new ATOM 0 HB3 LEU B 68 5.911 10.010 -13.806 1.00 53.52 H new ATOM 0 HG LEU B 68 2.874 9.963 -13.904 1.00 21.11 H new ATOM 0 HD11 LEU B 68 3.223 8.335 -15.752 1.00 12.03 H new ATOM 0 HD12 LEU B 68 3.973 9.911 -16.098 1.00 12.03 H new ATOM 0 HD13 LEU B 68 4.983 8.540 -15.584 1.00 12.03 H new ATOM 0 HD21 LEU B 68 2.976 7.528 -13.429 1.00 34.24 H new ATOM 0 HD22 LEU B 68 4.721 7.674 -13.110 1.00 34.24 H new ATOM 0 HD23 LEU B 68 3.551 8.504 -12.057 1.00 34.24 H new ATOM 2364 N VAL B 69 7.352 10.980 -11.453 1.00 44.40 N ATOM 2365 CA VAL B 69 8.680 11.628 -11.426 1.00 54.25 C ATOM 2366 C VAL B 69 9.132 11.920 -12.879 1.00 30.33 C ATOM 2367 O VAL B 69 9.738 12.955 -13.167 1.00 41.51 O ATOM 2368 CB VAL B 69 9.738 10.725 -10.687 1.00 72.21 C ATOM 2369 CG1 VAL B 69 11.154 11.360 -10.697 1.00 31.21 C ATOM 2370 CG2 VAL B 69 9.285 10.421 -9.239 1.00 30.41 C ATOM 0 H VAL B 69 7.379 9.978 -11.262 1.00 44.40 H new ATOM 0 HA VAL B 69 8.606 12.564 -10.872 1.00 54.25 H new ATOM 0 HB VAL B 69 9.800 9.786 -11.237 1.00 72.21 H new ATOM 0 HG11 VAL B 69 11.851 10.703 -10.177 1.00 31.21 H new ATOM 0 HG12 VAL B 69 11.484 11.497 -11.727 1.00 31.21 H new ATOM 0 HG13 VAL B 69 11.123 12.327 -10.195 1.00 31.21 H new ATOM 0 HG21 VAL B 69 10.031 9.796 -8.748 1.00 30.41 H new ATOM 0 HG22 VAL B 69 9.175 11.355 -8.688 1.00 30.41 H new ATOM 0 HG23 VAL B 69 8.329 9.897 -9.259 1.00 30.41 H new ATOM 2380 N LEU B 70 8.797 10.992 -13.795 1.00 34.30 N ATOM 2381 CA LEU B 70 9.055 11.149 -15.239 1.00 42.10 C ATOM 2382 C LEU B 70 7.855 11.844 -15.926 1.00 52.21 C ATOM 2383 O LEU B 70 7.006 11.189 -16.545 1.00 53.41 O ATOM 2384 CB LEU B 70 9.356 9.767 -15.887 1.00 1.34 C ATOM 2385 CG LEU B 70 10.503 8.937 -15.223 1.00 62.05 C ATOM 2386 CD1 LEU B 70 10.700 7.587 -15.946 1.00 42.54 C ATOM 2387 CD2 LEU B 70 11.824 9.751 -15.158 1.00 23.53 C ATOM 0 H LEU B 70 8.340 10.112 -13.555 1.00 34.30 H new ATOM 0 HA LEU B 70 9.932 11.781 -15.376 1.00 42.10 H new ATOM 0 HB2 LEU B 70 8.444 9.171 -15.866 1.00 1.34 H new ATOM 0 HB3 LEU B 70 9.609 9.926 -16.935 1.00 1.34 H new ATOM 0 HG LEU B 70 10.208 8.719 -14.197 1.00 62.05 H new ATOM 0 HD11 LEU B 70 11.503 7.030 -15.464 1.00 42.54 H new ATOM 0 HD12 LEU B 70 9.777 7.009 -15.896 1.00 42.54 H new ATOM 0 HD13 LEU B 70 10.959 7.767 -16.989 1.00 42.54 H new ATOM 0 HD21 LEU B 70 12.601 9.146 -14.691 1.00 23.53 H new ATOM 0 HD22 LEU B 70 12.133 10.024 -16.167 1.00 23.53 H new ATOM 0 HD23 LEU B 70 11.666 10.655 -14.570 1.00 23.53 H new ATOM 2399 N GLU B 71 7.760 13.175 -15.753 1.00 21.32 N ATOM 2400 CA GLU B 71 6.722 13.999 -16.407 1.00 44.53 C ATOM 2401 C GLU B 71 7.100 14.280 -17.878 1.00 20.11 C ATOM 2402 O GLU B 71 8.280 14.323 -18.231 1.00 42.15 O ATOM 2403 CB GLU B 71 6.507 15.318 -15.628 1.00 0.42 C ATOM 2404 CG GLU B 71 5.908 15.130 -14.218 1.00 73.12 C ATOM 2405 CD GLU B 71 5.696 16.458 -13.477 1.00 15.13 C ATOM 2406 OE1 GLU B 71 4.766 17.205 -13.842 1.00 35.14 O ATOM 2407 OE2 GLU B 71 6.468 16.777 -12.549 1.00 41.44 O ATOM 0 H GLU B 71 8.396 13.709 -15.160 1.00 21.32 H new ATOM 0 HA GLU B 71 5.783 13.445 -16.400 1.00 44.53 H new ATOM 0 HB2 GLU B 71 7.463 15.834 -15.538 1.00 0.42 H new ATOM 0 HB3 GLU B 71 5.848 15.965 -16.207 1.00 0.42 H new ATOM 0 HG2 GLU B 71 4.954 14.609 -14.301 1.00 73.12 H new ATOM 0 HG3 GLU B 71 6.569 14.493 -13.630 1.00 73.12 H new ATOM 2414 N HIS B 72 6.084 14.483 -18.728 1.00 3.11 N ATOM 2415 CA HIS B 72 6.260 14.520 -20.200 1.00 30.34 C ATOM 2416 C HIS B 72 6.731 15.899 -20.730 1.00 51.03 C ATOM 2417 O HIS B 72 6.985 16.830 -19.960 1.00 44.44 O ATOM 2418 CB HIS B 72 4.943 14.060 -20.882 1.00 24.13 C ATOM 2419 CG HIS B 72 4.686 12.591 -20.690 1.00 24.54 C ATOM 2420 ND1 HIS B 72 4.904 11.664 -21.681 1.00 24.41 N ATOM 2421 CD2 HIS B 72 4.298 11.884 -19.599 1.00 44.02 C ATOM 2422 CE1 HIS B 72 4.674 10.459 -21.217 1.00 62.32 C ATOM 2423 NE2 HIS B 72 4.306 10.558 -19.952 1.00 12.44 N ATOM 0 H HIS B 72 5.121 14.626 -18.425 1.00 3.11 H new ATOM 0 HA HIS B 72 7.064 13.831 -20.457 1.00 30.34 H new ATOM 0 HB2 HIS B 72 4.107 14.629 -20.475 1.00 24.13 H new ATOM 0 HB3 HIS B 72 4.991 14.282 -21.948 1.00 24.13 H new ATOM 0 HD2 HIS B 72 4.033 12.289 -18.634 1.00 44.02 H new ATOM 0 HE1 HIS B 72 4.769 9.540 -21.776 1.00 62.32 H new ATOM 0 HE2 HIS B 72 4.067 9.778 -19.339 1.00 12.44 H new ATOM 2432 N HIS B 73 6.891 15.991 -22.062 1.00 45.15 N ATOM 2433 CA HIS B 73 7.330 17.221 -22.754 1.00 22.12 C ATOM 2434 C HIS B 73 6.151 17.840 -23.541 1.00 45.11 C ATOM 2435 O HIS B 73 5.777 17.341 -24.611 1.00 62.23 O ATOM 2436 CB HIS B 73 8.517 16.890 -23.696 1.00 75.33 C ATOM 2437 CG HIS B 73 9.715 16.300 -22.986 1.00 41.31 C ATOM 2438 ND1 HIS B 73 10.660 17.067 -22.342 1.00 51.53 N ATOM 2439 CD2 HIS B 73 10.106 15.011 -22.804 1.00 33.13 C ATOM 2440 CE1 HIS B 73 11.572 16.285 -21.799 1.00 1.31 C ATOM 2441 NE2 HIS B 73 11.262 15.036 -22.064 1.00 72.33 N ATOM 0 H HIS B 73 6.719 15.210 -22.695 1.00 45.15 H new ATOM 0 HA HIS B 73 7.664 17.953 -22.019 1.00 22.12 H new ATOM 0 HB2 HIS B 73 8.178 16.190 -24.460 1.00 75.33 H new ATOM 0 HB3 HIS B 73 8.824 17.800 -24.212 1.00 75.33 H new ATOM 0 HD2 HIS B 73 9.601 14.131 -23.173 1.00 33.13 H new ATOM 0 HE1 HIS B 73 12.430 16.615 -21.232 1.00 1.31 H new ATOM 0 HE2 HIS B 73 11.794 14.218 -21.768 1.00 72.33 H new ATOM 2450 N HIS B 74 5.550 18.911 -22.984 1.00 43.24 N ATOM 2451 CA HIS B 74 4.395 19.599 -23.600 1.00 43.35 C ATOM 2452 C HIS B 74 4.816 20.441 -24.823 1.00 62.53 C ATOM 2453 O HIS B 74 5.392 21.523 -24.682 1.00 4.32 O ATOM 2454 CB HIS B 74 3.640 20.478 -22.553 1.00 1.43 C ATOM 2455 CG HIS B 74 2.412 19.827 -21.977 1.00 51.31 C ATOM 2456 ND1 HIS B 74 2.440 19.006 -20.877 1.00 73.13 N ATOM 2457 CD2 HIS B 74 1.115 19.877 -22.364 1.00 1.32 C ATOM 2458 CE1 HIS B 74 1.226 18.579 -20.615 1.00 15.34 C ATOM 2459 NE2 HIS B 74 0.400 19.092 -21.498 1.00 3.31 N ATOM 0 H HIS B 74 5.849 19.322 -22.100 1.00 43.24 H new ATOM 0 HA HIS B 74 3.711 18.828 -23.953 1.00 43.35 H new ATOM 0 HB2 HIS B 74 4.323 20.724 -21.740 1.00 1.43 H new ATOM 0 HB3 HIS B 74 3.353 21.419 -23.023 1.00 1.43 H new ATOM 0 HD2 HIS B 74 0.718 20.433 -23.200 1.00 1.32 H new ATOM 0 HE1 HIS B 74 0.952 17.916 -19.808 1.00 15.34 H new ATOM 0 HE2 HIS B 74 -0.607 18.932 -21.533 1.00 3.31 H new ATOM 2468 N HIS B 75 4.530 19.909 -26.018 1.00 72.31 N ATOM 2469 CA HIS B 75 4.725 20.614 -27.298 1.00 34.24 C ATOM 2470 C HIS B 75 3.656 21.718 -27.478 1.00 24.15 C ATOM 2471 O HIS B 75 3.931 22.793 -28.016 1.00 22.50 O ATOM 2472 CB HIS B 75 4.661 19.592 -28.459 1.00 44.24 C ATOM 2473 CG HIS B 75 5.708 18.508 -28.364 1.00 15.34 C ATOM 2474 ND1 HIS B 75 5.470 17.277 -27.791 1.00 40.20 N ATOM 2475 CD2 HIS B 75 7.005 18.485 -28.756 1.00 43.32 C ATOM 2476 CE1 HIS B 75 6.566 16.552 -27.831 1.00 1.22 C ATOM 2477 NE2 HIS B 75 7.515 17.256 -28.409 1.00 43.12 N ATOM 0 H HIS B 75 4.153 18.968 -26.128 1.00 72.31 H new ATOM 0 HA HIS B 75 5.703 21.095 -27.300 1.00 34.24 H new ATOM 0 HB2 HIS B 75 3.673 19.132 -28.474 1.00 44.24 H new ATOM 0 HB3 HIS B 75 4.781 20.120 -29.405 1.00 44.24 H new ATOM 0 HD2 HIS B 75 7.539 19.284 -29.249 1.00 43.32 H new ATOM 0 HE1 HIS B 75 6.670 15.546 -27.452 1.00 1.22 H new ATOM 0 HE2 HIS B 75 8.472 16.942 -28.573 1.00 43.12 H new ATOM 2486 N HIS B 76 2.423 21.416 -27.017 1.00 51.04 N ATOM 2487 CA HIS B 76 1.288 22.370 -26.998 1.00 31.55 C ATOM 2488 C HIS B 76 0.394 22.132 -25.761 1.00 75.34 C ATOM 2489 O HIS B 76 0.035 20.994 -25.448 1.00 72.13 O ATOM 2490 CB HIS B 76 0.445 22.267 -28.300 1.00 34.40 C ATOM 2491 CG HIS B 76 1.107 22.883 -29.509 1.00 75.13 C ATOM 2492 ND1 HIS B 76 1.710 22.146 -30.504 1.00 13.11 N ATOM 2493 CD2 HIS B 76 1.258 24.181 -29.872 1.00 24.34 C ATOM 2494 CE1 HIS B 76 2.208 22.956 -31.413 1.00 43.12 C ATOM 2495 NE2 HIS B 76 1.948 24.194 -31.058 1.00 65.03 N ATOM 0 H HIS B 76 2.183 20.497 -26.644 1.00 51.04 H new ATOM 0 HA HIS B 76 1.702 23.376 -26.940 1.00 31.55 H new ATOM 0 HB2 HIS B 76 0.240 21.216 -28.506 1.00 34.40 H new ATOM 0 HB3 HIS B 76 -0.517 22.753 -28.138 1.00 34.40 H new ATOM 0 HD2 HIS B 76 0.902 25.044 -29.329 1.00 24.34 H new ATOM 0 HE1 HIS B 76 2.741 22.654 -32.302 1.00 43.12 H new ATOM 0 HE2 HIS B 76 2.216 25.029 -31.579 1.00 65.03 H new ATOM 2504 N HIS B 77 0.046 23.231 -25.070 1.00 63.21 N ATOM 2505 CA HIS B 77 -0.842 23.217 -23.890 1.00 40.02 C ATOM 2506 C HIS B 77 -2.328 23.233 -24.327 1.00 14.53 C ATOM 2507 O HIS B 77 -3.170 22.498 -23.789 1.00 4.13 O ATOM 2508 CB HIS B 77 -0.518 24.440 -22.989 1.00 53.32 C ATOM 2509 CG HIS B 77 -1.333 24.528 -21.722 1.00 65.52 C ATOM 2510 ND1 HIS B 77 -2.340 25.447 -21.539 1.00 42.34 N ATOM 2511 CD2 HIS B 77 -1.279 23.811 -20.572 1.00 20.10 C ATOM 2512 CE1 HIS B 77 -2.870 25.294 -20.344 1.00 53.32 C ATOM 2513 NE2 HIS B 77 -2.249 24.310 -19.738 1.00 65.11 N ATOM 0 H HIS B 77 0.376 24.164 -25.316 1.00 63.21 H new ATOM 0 HA HIS B 77 -0.673 22.302 -23.322 1.00 40.02 H new ATOM 0 HB2 HIS B 77 0.539 24.407 -22.723 1.00 53.32 H new ATOM 0 HB3 HIS B 77 -0.673 25.351 -23.568 1.00 53.32 H new ATOM 0 HD2 HIS B 77 -0.600 23.000 -20.353 1.00 20.10 H new ATOM 0 HE1 HIS B 77 -3.679 25.879 -19.932 1.00 53.32 H new ATOM 0 HE2 HIS B 77 -2.454 23.970 -18.798 1.00 65.11 H new TER 2522 HIS B 77