USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1135 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 THR OG1 : rot 120:sc= -0.763 USER MOD Set 1.2: A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 9 GLN : amide:sc= 0 X(o=-0.39,f=-0.39) USER MOD Set 2.2: A 32 ASN : amide:sc= -0.385 K(o=-0.39,f=-1.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= -0.0799 (180deg=-0.801) USER MOD Single : A 2 ASN : amide:sc= -0.251 K(o=-0.25,f=0.48) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00623 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -43:sc= 0.0133 USER MOD Single : A 20 LYS NZ :NH3+ 165:sc=-0.00988 (180deg=-0.202) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0445 K(o=-0.044,f=-1.7!) USER MOD Single : A 31 MET CE :methyl -118:sc= -5.31 (180deg=-12.2!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 135:sc= -5.3! (180deg=-6.67!) USER MOD Single : A 43 MET CE :methyl -135:sc= -1.87 (180deg=-5.44!) USER MOD Single : A 44 LYS NZ :NH3+ -116:sc= -0.219 (180deg=-1.82!) USER MOD Single : A 45 LYS NZ :NH3+ 150:sc= 1.44 (180deg=0.0264) USER MOD Single : A 46 SER OG : rot -19:sc= 0.0886 USER MOD Single : A 47 LYS NZ :NH3+ -151:sc= -0.0485 (180deg=-0.446) USER MOD Single : A 51 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00148) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00374 USER MOD Single : A 53 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.2) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.192 K(o=-0.19,f=-2.1!) USER MOD Single : A 57 THR OG1 : rot 41:sc= -0.116 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -135:sc= -0.0895 (180deg=-1.96) USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0129) USER MOD Single : A 80 THR OG1 : rot 168:sc= 1.2 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.478 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 100 SER OG : rot -170:sc= 0.123 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 CYS SG : rot 81:sc= -0.399 USER MOD Single : A 110 HIS : no HD1:sc= -0.0212 X(o=-0.021,f=-0.021) USER MOD Single : A 119 CYS SG : rot 51:sc= -0.0102 USER MOD Single : A 123 THR OG1 : rot -41:sc= 0.115! USER MOD Single : A 125 TYR OH : rot 81:sc= 0.77 USER MOD Single : A 126 TYR OH : rot 180:sc= -1.75 USER MOD Single : A 129 SER OG : rot 180:sc= -0.109 USER MOD Single : A 130 SER OG : rot -44:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.347 -0.837 -7.740 1.00 44.12 N ATOM 2 CA MET A 1 1.208 0.356 -6.913 1.00 41.34 C ATOM 3 C MET A 1 2.005 0.218 -5.620 1.00 71.41 C ATOM 4 O MET A 1 2.446 1.210 -5.043 1.00 1.23 O ATOM 5 CB MET A 1 -0.266 0.612 -6.593 1.00 61.21 C ATOM 6 CG MET A 1 -1.100 0.966 -7.813 1.00 54.02 C ATOM 7 SD MET A 1 -1.057 2.727 -8.197 1.00 12.44 S ATOM 8 CE MET A 1 -2.774 3.026 -8.610 1.00 13.02 C ATOM 0 H1 MET A 1 1.181 -0.590 -8.737 1.00 44.12 H new ATOM 0 H2 MET A 1 2.307 -1.223 -7.634 1.00 44.12 H new ATOM 0 H3 MET A 1 0.652 -1.550 -7.440 1.00 44.12 H new ATOM 0 HA MET A 1 1.603 1.204 -7.473 1.00 41.34 H new ATOM 0 HB2 MET A 1 -0.686 -0.276 -6.121 1.00 61.21 H new ATOM 0 HB3 MET A 1 -0.336 1.422 -5.867 1.00 61.21 H new ATOM 0 HG2 MET A 1 -0.737 0.402 -8.672 1.00 54.02 H new ATOM 0 HG3 MET A 1 -2.132 0.660 -7.644 1.00 54.02 H new ATOM 0 HE1 MET A 1 -2.908 4.076 -8.871 1.00 13.02 H new ATOM 0 HE2 MET A 1 -3.058 2.402 -9.457 1.00 13.02 H new ATOM 0 HE3 MET A 1 -3.402 2.782 -7.753 1.00 13.02 H new ATOM 18 N ASN A 2 2.185 -1.020 -5.171 1.00 31.30 N ATOM 19 CA ASN A 2 2.928 -1.288 -3.945 1.00 20.10 C ATOM 20 C ASN A 2 4.174 -2.120 -4.235 1.00 11.33 C ATOM 21 O ASN A 2 4.107 -3.139 -4.923 1.00 15.44 O ATOM 22 CB ASN A 2 2.039 -2.016 -2.934 1.00 4.51 C ATOM 23 CG ASN A 2 1.141 -3.046 -3.590 1.00 23.40 C ATOM 24 OD1 ASN A 2 1.585 -3.826 -4.433 1.00 41.12 O ATOM 25 ND2 ASN A 2 -0.130 -3.054 -3.205 1.00 25.52 N ATOM 0 H ASN A 2 1.827 -1.853 -5.638 1.00 31.30 H new ATOM 0 HA ASN A 2 3.240 -0.333 -3.523 1.00 20.10 H new ATOM 0 HB2 ASN A 2 2.666 -2.506 -2.190 1.00 4.51 H new ATOM 0 HB3 ASN A 2 1.425 -1.288 -2.404 1.00 4.51 H new ATOM 0 HD21 ASN A 2 -0.782 -3.725 -3.611 1.00 25.52 H new ATOM 0 HD22 ASN A 2 -0.454 -2.389 -2.503 1.00 25.52 H new ATOM 32 N ASP A 3 5.309 -1.678 -3.705 1.00 63.30 N ATOM 33 CA ASP A 3 6.571 -2.382 -3.905 1.00 33.22 C ATOM 34 C ASP A 3 7.404 -2.377 -2.627 1.00 61.31 C ATOM 35 O ASP A 3 8.035 -1.375 -2.290 1.00 14.22 O ATOM 36 CB ASP A 3 7.361 -1.742 -5.047 1.00 4.23 C ATOM 37 CG ASP A 3 7.372 -0.228 -4.966 1.00 3.14 C ATOM 38 OD1 ASP A 3 6.419 0.401 -5.471 1.00 73.43 O ATOM 39 OD2 ASP A 3 8.334 0.328 -4.396 1.00 11.34 O ATOM 0 H ASP A 3 5.381 -0.836 -3.134 1.00 63.30 H new ATOM 0 HA ASP A 3 6.345 -3.416 -4.166 1.00 33.22 H new ATOM 0 HB2 ASP A 3 8.386 -2.111 -5.027 1.00 4.23 H new ATOM 0 HB3 ASP A 3 6.930 -2.049 -6.000 1.00 4.23 H new ATOM 44 N ILE A 4 7.401 -3.503 -1.921 1.00 2.54 N ATOM 45 CA ILE A 4 8.157 -3.627 -0.680 1.00 72.24 C ATOM 46 C ILE A 4 9.207 -4.728 -0.785 1.00 3.40 C ATOM 47 O ILE A 4 9.065 -5.663 -1.573 1.00 10.21 O ATOM 48 CB ILE A 4 7.232 -3.927 0.514 1.00 24.43 C ATOM 49 CG1 ILE A 4 6.041 -4.776 0.065 1.00 63.10 C ATOM 50 CG2 ILE A 4 6.755 -2.632 1.154 1.00 45.25 C ATOM 51 CD1 ILE A 4 6.439 -6.114 -0.519 1.00 53.31 C ATOM 0 H ILE A 4 6.884 -4.341 -2.186 1.00 2.54 H new ATOM 0 HA ILE A 4 8.652 -2.670 -0.514 1.00 72.24 H new ATOM 0 HB ILE A 4 7.796 -4.491 1.258 1.00 24.43 H new ATOM 0 HG12 ILE A 4 5.382 -4.942 0.917 1.00 63.10 H new ATOM 0 HG13 ILE A 4 5.468 -4.220 -0.678 1.00 63.10 H new ATOM 0 HG21 ILE A 4 6.102 -2.861 1.996 1.00 45.25 H new ATOM 0 HG22 ILE A 4 7.615 -2.062 1.506 1.00 45.25 H new ATOM 0 HG23 ILE A 4 6.206 -2.044 0.419 1.00 45.25 H new ATOM 0 HD11 ILE A 4 5.545 -6.662 -0.816 1.00 53.31 H new ATOM 0 HD12 ILE A 4 7.074 -5.956 -1.391 1.00 53.31 H new ATOM 0 HD13 ILE A 4 6.986 -6.689 0.228 1.00 53.31 H new ATOM 63 N ARG A 5 10.261 -4.610 0.016 1.00 22.11 N ATOM 64 CA ARG A 5 11.336 -5.595 0.014 1.00 31.23 C ATOM 65 C ARG A 5 10.793 -6.993 0.297 1.00 13.24 C ATOM 66 O ARG A 5 9.844 -7.157 1.065 1.00 51.21 O ATOM 67 CB ARG A 5 12.395 -5.228 1.055 1.00 42.30 C ATOM 68 CG ARG A 5 13.403 -4.202 0.562 1.00 23.51 C ATOM 69 CD ARG A 5 12.738 -2.870 0.255 1.00 71.12 C ATOM 70 NE ARG A 5 12.057 -2.316 1.422 1.00 22.12 N ATOM 71 CZ ARG A 5 12.694 -1.829 2.481 1.00 13.43 C ATOM 72 NH1 ARG A 5 14.019 -1.826 2.519 1.00 30.14 N ATOM 73 NH2 ARG A 5 12.004 -1.342 3.505 1.00 2.41 N ATOM 0 H ARG A 5 10.393 -3.842 0.674 1.00 22.11 H new ATOM 0 HA ARG A 5 11.793 -5.594 -0.975 1.00 31.23 H new ATOM 0 HB2 ARG A 5 11.899 -4.839 1.944 1.00 42.30 H new ATOM 0 HB3 ARG A 5 12.926 -6.131 1.355 1.00 42.30 H new ATOM 0 HG2 ARG A 5 14.176 -4.058 1.317 1.00 23.51 H new ATOM 0 HG3 ARG A 5 13.898 -4.578 -0.334 1.00 23.51 H new ATOM 0 HD2 ARG A 5 13.489 -2.162 -0.096 1.00 71.12 H new ATOM 0 HD3 ARG A 5 12.020 -3.001 -0.555 1.00 71.12 H new ATOM 0 HE ARG A 5 11.037 -2.302 1.424 1.00 22.12 H new ATOM 0 HH11 ARG A 5 14.553 -2.198 1.733 1.00 30.14 H new ATOM 0 HH12 ARG A 5 14.505 -1.451 3.334 1.00 30.14 H new ATOM 0 HH21 ARG A 5 10.984 -1.342 3.479 1.00 2.41 H new ATOM 0 HH22 ARG A 5 12.493 -0.968 4.318 1.00 2.41 H new ATOM 87 N ILE A 6 11.400 -7.996 -0.328 1.00 2.24 N ATOM 88 CA ILE A 6 10.978 -9.378 -0.142 1.00 72.52 C ATOM 89 C ILE A 6 11.800 -10.063 0.944 1.00 31.52 C ATOM 90 O ILE A 6 11.290 -10.901 1.689 1.00 70.15 O ATOM 91 CB ILE A 6 11.101 -10.185 -1.449 1.00 10.33 C ATOM 92 CG1 ILE A 6 10.583 -9.364 -2.631 1.00 55.41 C ATOM 93 CG2 ILE A 6 10.341 -11.498 -1.335 1.00 13.55 C ATOM 94 CD1 ILE A 6 11.649 -8.521 -3.295 1.00 72.04 C ATOM 0 H ILE A 6 12.186 -7.877 -0.968 1.00 2.24 H new ATOM 0 HA ILE A 6 9.931 -9.350 0.161 1.00 72.52 H new ATOM 0 HB ILE A 6 12.153 -10.411 -1.621 1.00 10.33 H new ATOM 0 HG12 ILE A 6 10.152 -10.039 -3.371 1.00 55.41 H new ATOM 0 HG13 ILE A 6 9.779 -8.713 -2.286 1.00 55.41 H new ATOM 0 HG21 ILE A 6 10.438 -12.056 -2.266 1.00 13.55 H new ATOM 0 HG22 ILE A 6 10.752 -12.086 -0.515 1.00 13.55 H new ATOM 0 HG23 ILE A 6 9.288 -11.293 -1.142 1.00 13.55 H new ATOM 0 HD11 ILE A 6 11.210 -7.966 -4.124 1.00 72.04 H new ATOM 0 HD12 ILE A 6 12.064 -7.821 -2.569 1.00 72.04 H new ATOM 0 HD13 ILE A 6 12.442 -9.167 -3.670 1.00 72.04 H new ATOM 106 N VAL A 7 13.076 -9.700 1.031 1.00 73.42 N ATOM 107 CA VAL A 7 13.969 -10.277 2.028 1.00 32.53 C ATOM 108 C VAL A 7 15.087 -9.307 2.392 1.00 70.02 C ATOM 109 O VAL A 7 16.074 -9.160 1.671 1.00 62.40 O ATOM 110 CB VAL A 7 14.590 -11.596 1.530 1.00 51.21 C ATOM 111 CG1 VAL A 7 13.550 -12.705 1.518 1.00 74.44 C ATOM 112 CG2 VAL A 7 15.198 -11.409 0.148 1.00 2.22 C ATOM 0 H VAL A 7 13.514 -9.009 0.422 1.00 73.42 H new ATOM 0 HA VAL A 7 13.366 -10.480 2.913 1.00 32.53 H new ATOM 0 HB VAL A 7 15.386 -11.885 2.216 1.00 51.21 H new ATOM 0 HG11 VAL A 7 14.007 -13.629 1.163 1.00 74.44 H new ATOM 0 HG12 VAL A 7 13.166 -12.854 2.527 1.00 74.44 H new ATOM 0 HG13 VAL A 7 12.730 -12.428 0.855 1.00 74.44 H new ATOM 0 HG21 VAL A 7 15.632 -12.350 -0.189 1.00 2.22 H new ATOM 0 HG22 VAL A 7 14.423 -11.096 -0.551 1.00 2.22 H new ATOM 0 HG23 VAL A 7 15.975 -10.646 0.193 1.00 2.22 H new ATOM 122 N PRO A 8 14.931 -8.627 3.538 1.00 62.34 N ATOM 123 CA PRO A 8 15.919 -7.659 4.024 1.00 34.22 C ATOM 124 C PRO A 8 17.210 -8.329 4.482 1.00 12.45 C ATOM 125 O PRO A 8 17.275 -9.551 4.606 1.00 31.22 O ATOM 126 CB PRO A 8 15.211 -6.995 5.208 1.00 30.41 C ATOM 127 CG PRO A 8 14.224 -8.008 5.676 1.00 71.42 C ATOM 128 CD PRO A 8 13.780 -8.752 4.447 1.00 55.03 C ATOM 0 HA PRO A 8 16.223 -6.960 3.245 1.00 34.22 H new ATOM 0 HB2 PRO A 8 15.917 -6.736 5.997 1.00 30.41 H new ATOM 0 HB3 PRO A 8 14.717 -6.071 4.907 1.00 30.41 H new ATOM 0 HG2 PRO A 8 14.674 -8.686 6.401 1.00 71.42 H new ATOM 0 HG3 PRO A 8 13.378 -7.530 6.170 1.00 71.42 H new ATOM 0 HD2 PRO A 8 13.554 -9.795 4.668 1.00 55.03 H new ATOM 0 HD3 PRO A 8 12.879 -8.315 4.017 1.00 55.03 H new ATOM 136 N GLN A 9 18.234 -7.519 4.733 1.00 32.31 N ATOM 137 CA GLN A 9 19.523 -8.035 5.178 1.00 43.23 C ATOM 138 C GLN A 9 19.397 -8.722 6.534 1.00 52.54 C ATOM 139 O GLN A 9 18.389 -8.570 7.225 1.00 3.22 O ATOM 140 CB GLN A 9 20.548 -6.902 5.260 1.00 62.31 C ATOM 141 CG GLN A 9 20.317 -5.956 6.427 1.00 22.32 C ATOM 142 CD GLN A 9 21.235 -4.750 6.391 1.00 33.01 C ATOM 143 OE1 GLN A 9 21.098 -3.877 5.534 1.00 54.31 O ATOM 144 NE2 GLN A 9 22.178 -4.695 7.324 1.00 13.14 N ATOM 0 H GLN A 9 18.196 -6.504 4.636 1.00 32.31 H new ATOM 0 HA GLN A 9 19.862 -8.771 4.449 1.00 43.23 H new ATOM 0 HB2 GLN A 9 21.546 -7.332 5.344 1.00 62.31 H new ATOM 0 HB3 GLN A 9 20.523 -6.333 4.331 1.00 62.31 H new ATOM 0 HG2 GLN A 9 19.280 -5.619 6.417 1.00 22.32 H new ATOM 0 HG3 GLN A 9 20.468 -6.495 7.362 1.00 22.32 H new ATOM 0 HE21 GLN A 9 22.256 -5.441 8.015 1.00 13.14 H new ATOM 0 HE22 GLN A 9 22.825 -3.907 7.349 1.00 13.14 H new ATOM 153 N ILE A 10 20.424 -9.477 6.907 1.00 43.31 N ATOM 154 CA ILE A 10 20.428 -10.186 8.180 1.00 13.23 C ATOM 155 C ILE A 10 21.581 -9.723 9.064 1.00 62.50 C ATOM 156 O ILE A 10 22.748 -9.809 8.678 1.00 75.50 O ATOM 157 CB ILE A 10 20.531 -11.709 7.976 1.00 14.13 C ATOM 158 CG1 ILE A 10 21.627 -12.036 6.961 1.00 61.43 C ATOM 159 CG2 ILE A 10 19.193 -12.274 7.521 1.00 44.21 C ATOM 160 CD1 ILE A 10 21.919 -13.516 6.843 1.00 51.04 C ATOM 0 H ILE A 10 21.264 -9.614 6.345 1.00 43.31 H new ATOM 0 HA ILE A 10 19.482 -9.957 8.671 1.00 13.23 H new ATOM 0 HB ILE A 10 20.794 -12.172 8.927 1.00 14.13 H new ATOM 0 HG12 ILE A 10 21.332 -11.653 5.984 1.00 61.43 H new ATOM 0 HG13 ILE A 10 22.541 -11.515 7.245 1.00 61.43 H new ATOM 0 HG21 ILE A 10 19.282 -13.351 7.381 1.00 44.21 H new ATOM 0 HG22 ILE A 10 18.435 -12.067 8.277 1.00 44.21 H new ATOM 0 HG23 ILE A 10 18.903 -11.808 6.579 1.00 44.21 H new ATOM 0 HD11 ILE A 10 22.706 -13.674 6.106 1.00 51.04 H new ATOM 0 HD12 ILE A 10 22.245 -13.901 7.809 1.00 51.04 H new ATOM 0 HD13 ILE A 10 21.017 -14.041 6.529 1.00 51.04 H new ATOM 172 N THR A 11 21.248 -9.234 10.254 1.00 4.52 N ATOM 173 CA THR A 11 22.256 -8.758 11.194 1.00 73.10 C ATOM 174 C THR A 11 22.750 -9.889 12.089 1.00 50.20 C ATOM 175 O THR A 11 22.424 -11.055 11.869 1.00 60.34 O ATOM 176 CB THR A 11 21.708 -7.621 12.077 1.00 31.44 C ATOM 177 OG1 THR A 11 20.479 -7.127 11.533 1.00 2.23 O ATOM 178 CG2 THR A 11 22.715 -6.486 12.184 1.00 15.12 C ATOM 0 H THR A 11 20.288 -9.157 10.590 1.00 4.52 H new ATOM 0 HA THR A 11 23.088 -8.378 10.601 1.00 73.10 H new ATOM 0 HB THR A 11 21.528 -8.020 13.075 1.00 31.44 H new ATOM 0 HG1 THR A 11 20.136 -6.406 12.101 1.00 2.23 H new ATOM 0 HG21 THR A 11 22.306 -5.695 12.812 1.00 15.12 H new ATOM 0 HG22 THR A 11 23.639 -6.860 12.626 1.00 15.12 H new ATOM 0 HG23 THR A 11 22.923 -6.089 11.190 1.00 15.12 H new ATOM 186 N ASP A 12 23.537 -9.536 13.099 1.00 22.22 N ATOM 187 CA ASP A 12 24.075 -10.522 14.029 1.00 22.04 C ATOM 188 C ASP A 12 22.951 -11.253 14.757 1.00 1.31 C ATOM 189 O ASP A 12 23.154 -12.338 15.301 1.00 52.15 O ATOM 190 CB ASP A 12 25.001 -9.847 15.042 1.00 0.25 C ATOM 191 CG ASP A 12 26.203 -10.703 15.389 1.00 30.30 C ATOM 192 OD1 ASP A 12 27.153 -10.749 14.579 1.00 74.31 O ATOM 193 OD2 ASP A 12 26.194 -11.327 16.471 1.00 45.13 O ATOM 0 H ASP A 12 23.817 -8.575 13.295 1.00 22.22 H new ATOM 0 HA ASP A 12 24.647 -11.252 13.456 1.00 22.04 H new ATOM 0 HB2 ASP A 12 25.342 -8.894 14.639 1.00 0.25 H new ATOM 0 HB3 ASP A 12 24.441 -9.627 15.951 1.00 0.25 H new ATOM 198 N GLU A 13 21.767 -10.649 14.764 1.00 74.03 N ATOM 199 CA GLU A 13 20.611 -11.242 15.427 1.00 63.33 C ATOM 200 C GLU A 13 20.006 -12.354 14.574 1.00 0.30 C ATOM 201 O GLU A 13 19.414 -13.298 15.096 1.00 2.44 O ATOM 202 CB GLU A 13 19.556 -10.173 15.714 1.00 14.24 C ATOM 203 CG GLU A 13 20.123 -8.911 16.342 1.00 41.54 C ATOM 204 CD GLU A 13 19.049 -7.899 16.691 1.00 51.23 C ATOM 205 OE1 GLU A 13 17.853 -8.233 16.554 1.00 42.11 O ATOM 206 OE2 GLU A 13 19.403 -6.774 17.100 1.00 3.32 O ATOM 0 H GLU A 13 21.583 -9.750 14.318 1.00 74.03 H new ATOM 0 HA GLU A 13 20.947 -11.673 16.370 1.00 63.33 H new ATOM 0 HB2 GLU A 13 19.054 -9.911 14.783 1.00 14.24 H new ATOM 0 HB3 GLU A 13 18.799 -10.591 16.378 1.00 14.24 H new ATOM 0 HG2 GLU A 13 20.675 -9.175 17.244 1.00 41.54 H new ATOM 0 HG3 GLU A 13 20.836 -8.456 15.654 1.00 41.54 H new ATOM 213 N GLU A 14 20.159 -12.233 13.259 1.00 1.30 N ATOM 214 CA GLU A 14 19.626 -13.226 12.334 1.00 23.21 C ATOM 215 C GLU A 14 20.712 -14.209 11.906 1.00 25.15 C ATOM 216 O GLU A 14 20.504 -15.422 11.910 1.00 74.51 O ATOM 217 CB GLU A 14 19.030 -12.541 11.103 1.00 73.01 C ATOM 218 CG GLU A 14 17.858 -11.628 11.422 1.00 2.33 C ATOM 219 CD GLU A 14 16.779 -12.323 12.230 1.00 64.44 C ATOM 220 OE1 GLU A 14 15.991 -13.086 11.632 1.00 0.21 O ATOM 221 OE2 GLU A 14 16.723 -12.106 13.458 1.00 42.52 O ATOM 0 H GLU A 14 20.647 -11.458 12.811 1.00 1.30 H new ATOM 0 HA GLU A 14 18.841 -13.780 12.849 1.00 23.21 H new ATOM 0 HB2 GLU A 14 19.808 -11.960 10.609 1.00 73.01 H new ATOM 0 HB3 GLU A 14 18.704 -13.303 10.396 1.00 73.01 H new ATOM 0 HG2 GLU A 14 18.218 -10.760 11.975 1.00 2.33 H new ATOM 0 HG3 GLU A 14 17.428 -11.257 10.492 1.00 2.33 H new ATOM 228 N PHE A 15 21.873 -13.676 11.538 1.00 33.11 N ATOM 229 CA PHE A 15 22.992 -14.505 11.106 1.00 71.10 C ATOM 230 C PHE A 15 23.365 -15.519 12.183 1.00 20.50 C ATOM 231 O PHE A 15 23.866 -16.604 11.885 1.00 45.44 O ATOM 232 CB PHE A 15 24.202 -13.631 10.772 1.00 44.14 C ATOM 233 CG PHE A 15 25.487 -14.401 10.666 1.00 24.24 C ATOM 234 CD1 PHE A 15 26.278 -14.612 11.785 1.00 51.24 C ATOM 235 CD2 PHE A 15 25.905 -14.914 9.449 1.00 62.30 C ATOM 236 CE1 PHE A 15 27.461 -15.321 11.691 1.00 11.34 C ATOM 237 CE2 PHE A 15 27.087 -15.624 9.350 1.00 71.23 C ATOM 238 CZ PHE A 15 27.866 -15.827 10.472 1.00 43.41 C ATOM 0 H PHE A 15 22.063 -12.674 11.530 1.00 33.11 H new ATOM 0 HA PHE A 15 22.686 -15.047 10.211 1.00 71.10 H new ATOM 0 HB2 PHE A 15 24.018 -13.115 9.830 1.00 44.14 H new ATOM 0 HB3 PHE A 15 24.309 -12.865 11.540 1.00 44.14 H new ATOM 0 HD1 PHE A 15 25.966 -14.218 12.741 1.00 51.24 H new ATOM 0 HD2 PHE A 15 25.301 -14.758 8.568 1.00 62.30 H new ATOM 0 HE1 PHE A 15 28.068 -15.479 12.570 1.00 11.34 H new ATOM 0 HE2 PHE A 15 27.401 -16.020 8.395 1.00 71.23 H new ATOM 0 HZ PHE A 15 28.790 -16.381 10.396 1.00 43.41 H new ATOM 248 N LYS A 16 23.117 -15.159 13.438 1.00 62.33 N ATOM 249 CA LYS A 16 23.425 -16.036 14.561 1.00 24.21 C ATOM 250 C LYS A 16 22.464 -17.219 14.608 1.00 72.34 C ATOM 251 O LYS A 16 22.654 -18.157 15.383 1.00 75.44 O ATOM 252 CB LYS A 16 23.356 -15.257 15.877 1.00 65.34 C ATOM 253 CG LYS A 16 21.950 -14.827 16.256 1.00 70.12 C ATOM 254 CD LYS A 16 21.862 -14.439 17.722 1.00 12.41 C ATOM 255 CE LYS A 16 22.765 -13.257 18.041 1.00 53.21 C ATOM 256 NZ LYS A 16 22.762 -12.933 19.494 1.00 12.23 N ATOM 0 H LYS A 16 22.703 -14.265 13.703 1.00 62.33 H new ATOM 0 HA LYS A 16 24.437 -16.418 14.424 1.00 24.21 H new ATOM 0 HB2 LYS A 16 23.766 -15.874 16.677 1.00 65.34 H new ATOM 0 HB3 LYS A 16 23.989 -14.373 15.800 1.00 65.34 H new ATOM 0 HG2 LYS A 16 21.647 -13.983 15.636 1.00 70.12 H new ATOM 0 HG3 LYS A 16 21.252 -15.639 16.051 1.00 70.12 H new ATOM 0 HD2 LYS A 16 20.831 -14.188 17.972 1.00 12.41 H new ATOM 0 HD3 LYS A 16 22.142 -15.290 18.342 1.00 12.41 H new ATOM 0 HE2 LYS A 16 23.783 -13.481 17.721 1.00 53.21 H new ATOM 0 HE3 LYS A 16 22.437 -12.386 17.474 1.00 53.21 H new ATOM 0 HZ1 LYS A 16 23.389 -12.122 19.670 1.00 12.23 H new ATOM 0 HZ2 LYS A 16 21.795 -12.695 19.795 1.00 12.23 H new ATOM 0 HZ3 LYS A 16 23.099 -13.755 20.034 1.00 12.23 H new ATOM 270 N THR A 17 21.431 -17.170 13.772 1.00 51.00 N ATOM 271 CA THR A 17 20.440 -18.237 13.718 1.00 61.33 C ATOM 272 C THR A 17 20.978 -19.449 12.964 1.00 14.43 C ATOM 273 O THR A 17 20.369 -20.519 12.977 1.00 61.11 O ATOM 274 CB THR A 17 19.139 -17.763 13.042 1.00 5.35 C ATOM 275 OG1 THR A 17 18.041 -18.577 13.468 1.00 2.12 O ATOM 276 CG2 THR A 17 19.264 -17.822 11.527 1.00 14.55 C ATOM 0 H THR A 17 21.259 -16.402 13.123 1.00 51.00 H new ATOM 0 HA THR A 17 20.223 -18.519 14.748 1.00 61.33 H new ATOM 0 HB THR A 17 18.959 -16.729 13.335 1.00 5.35 H new ATOM 0 HG1 THR A 17 18.314 -19.518 13.472 1.00 2.12 H new ATOM 0 HG21 THR A 17 18.334 -17.483 11.072 1.00 14.55 H new ATOM 0 HG22 THR A 17 20.082 -17.178 11.204 1.00 14.55 H new ATOM 0 HG23 THR A 17 19.466 -18.848 11.218 1.00 14.55 H new ATOM 284 N ILE A 18 22.121 -19.273 12.310 1.00 75.12 N ATOM 285 CA ILE A 18 22.740 -20.353 11.552 1.00 22.44 C ATOM 286 C ILE A 18 23.956 -20.911 12.285 1.00 42.15 C ATOM 287 O ILE A 18 24.840 -20.174 12.723 1.00 53.02 O ATOM 288 CB ILE A 18 23.170 -19.883 10.150 1.00 22.33 C ATOM 289 CG1 ILE A 18 21.953 -19.419 9.348 1.00 14.05 C ATOM 290 CG2 ILE A 18 23.899 -21.000 9.418 1.00 42.22 C ATOM 291 CD1 ILE A 18 21.872 -17.917 9.187 1.00 65.12 C ATOM 0 H ILE A 18 22.637 -18.393 12.290 1.00 75.12 H new ATOM 0 HA ILE A 18 21.990 -21.137 11.448 1.00 22.44 H new ATOM 0 HB ILE A 18 23.852 -19.040 10.259 1.00 22.33 H new ATOM 0 HG12 ILE A 18 21.981 -19.881 8.361 1.00 14.05 H new ATOM 0 HG13 ILE A 18 21.047 -19.773 9.840 1.00 14.05 H new ATOM 0 HG21 ILE A 18 24.197 -20.653 8.429 1.00 42.22 H new ATOM 0 HG22 ILE A 18 24.785 -21.288 9.984 1.00 42.22 H new ATOM 0 HG23 ILE A 18 23.238 -21.861 9.317 1.00 42.22 H new ATOM 0 HD11 ILE A 18 20.985 -17.660 8.608 1.00 65.12 H new ATOM 0 HD12 ILE A 18 21.812 -17.448 10.169 1.00 65.12 H new ATOM 0 HD13 ILE A 18 22.760 -17.558 8.667 1.00 65.12 H new ATOM 303 N PRO A 19 24.005 -22.244 12.420 1.00 64.54 N ATOM 304 CA PRO A 19 25.110 -22.931 13.096 1.00 33.32 C ATOM 305 C PRO A 19 26.408 -22.866 12.299 1.00 1.13 C ATOM 306 O PRO A 19 26.394 -22.857 11.068 1.00 14.02 O ATOM 307 CB PRO A 19 24.618 -24.377 13.199 1.00 31.25 C ATOM 308 CG PRO A 19 23.645 -24.527 12.081 1.00 20.23 C ATOM 309 CD PRO A 19 22.987 -23.185 11.922 1.00 41.52 C ATOM 0 HA PRO A 19 25.345 -22.476 14.058 1.00 33.32 H new ATOM 0 HB2 PRO A 19 25.443 -25.083 13.104 1.00 31.25 H new ATOM 0 HB3 PRO A 19 24.146 -24.567 14.163 1.00 31.25 H new ATOM 0 HG2 PRO A 19 24.149 -24.826 11.162 1.00 20.23 H new ATOM 0 HG3 PRO A 19 22.909 -25.299 12.305 1.00 20.23 H new ATOM 0 HD2 PRO A 19 22.729 -22.985 10.882 1.00 41.52 H new ATOM 0 HD3 PRO A 19 22.064 -23.120 12.498 1.00 41.52 H new ATOM 317 N LYS A 20 27.531 -22.821 13.009 1.00 54.22 N ATOM 318 CA LYS A 20 28.839 -22.758 12.368 1.00 20.15 C ATOM 319 C LYS A 20 29.033 -23.929 11.411 1.00 73.24 C ATOM 320 O LYS A 20 29.822 -23.850 10.469 1.00 2.41 O ATOM 321 CB LYS A 20 29.947 -22.760 13.424 1.00 30.32 C ATOM 322 CG LYS A 20 29.932 -23.988 14.319 1.00 41.31 C ATOM 323 CD LYS A 20 30.603 -23.712 15.654 1.00 33.43 C ATOM 324 CE LYS A 20 30.746 -24.983 16.478 1.00 4.12 C ATOM 325 NZ LYS A 20 31.712 -25.936 15.864 1.00 0.22 N ATOM 0 H LYS A 20 27.561 -22.827 14.029 1.00 54.22 H new ATOM 0 HA LYS A 20 28.891 -21.832 11.796 1.00 20.15 H new ATOM 0 HB2 LYS A 20 30.914 -22.697 12.924 1.00 30.32 H new ATOM 0 HB3 LYS A 20 29.849 -21.868 14.043 1.00 30.32 H new ATOM 0 HG2 LYS A 20 28.903 -24.305 14.487 1.00 41.31 H new ATOM 0 HG3 LYS A 20 30.441 -24.811 13.818 1.00 41.31 H new ATOM 0 HD2 LYS A 20 31.587 -23.274 15.485 1.00 33.43 H new ATOM 0 HD3 LYS A 20 30.020 -22.979 16.211 1.00 33.43 H new ATOM 0 HE2 LYS A 20 31.077 -24.728 17.485 1.00 4.12 H new ATOM 0 HE3 LYS A 20 29.773 -25.464 16.575 1.00 4.12 H new ATOM 0 HZ1 LYS A 20 31.976 -26.661 16.562 1.00 0.22 H new ATOM 0 HZ2 LYS A 20 31.273 -26.393 15.039 1.00 0.22 H new ATOM 0 HZ3 LYS A 20 32.563 -25.421 15.562 1.00 0.22 H new ATOM 339 N TYR A 21 28.307 -25.014 11.656 1.00 72.22 N ATOM 340 CA TYR A 21 28.400 -26.202 10.815 1.00 32.03 C ATOM 341 C TYR A 21 27.949 -25.897 9.390 1.00 63.41 C ATOM 342 O TYR A 21 28.337 -26.584 8.445 1.00 31.54 O ATOM 343 CB TYR A 21 27.552 -27.333 11.399 1.00 31.33 C ATOM 344 CG TYR A 21 28.122 -27.924 12.669 1.00 11.32 C ATOM 345 CD1 TYR A 21 27.861 -27.345 13.905 1.00 21.24 C ATOM 346 CD2 TYR A 21 28.922 -29.059 12.633 1.00 32.01 C ATOM 347 CE1 TYR A 21 28.380 -27.881 15.068 1.00 2.44 C ATOM 348 CE2 TYR A 21 29.444 -29.602 13.791 1.00 71.10 C ATOM 349 CZ TYR A 21 29.171 -29.009 15.006 1.00 35.30 C ATOM 350 OH TYR A 21 29.690 -29.546 16.162 1.00 71.44 O ATOM 0 H TYR A 21 27.648 -25.096 12.430 1.00 72.22 H new ATOM 0 HA TYR A 21 29.443 -26.516 10.787 1.00 32.03 H new ATOM 0 HB2 TYR A 21 26.549 -26.957 11.602 1.00 31.33 H new ATOM 0 HB3 TYR A 21 27.452 -28.122 10.654 1.00 31.33 H new ATOM 0 HD1 TYR A 21 27.242 -26.461 13.957 1.00 21.24 H new ATOM 0 HD2 TYR A 21 29.140 -29.525 11.683 1.00 32.01 H new ATOM 0 HE1 TYR A 21 28.167 -27.419 16.021 1.00 2.44 H new ATOM 0 HE2 TYR A 21 30.063 -30.486 13.745 1.00 71.10 H new ATOM 0 HH TYR A 21 30.223 -30.339 15.944 1.00 71.44 H new ATOM 360 N GLN A 22 27.129 -24.862 9.244 1.00 12.02 N ATOM 361 CA GLN A 22 26.625 -24.466 7.935 1.00 50.44 C ATOM 362 C GLN A 22 27.449 -23.319 7.358 1.00 24.23 C ATOM 363 O GLN A 22 27.756 -23.299 6.165 1.00 20.44 O ATOM 364 CB GLN A 22 25.155 -24.053 8.034 1.00 63.04 C ATOM 365 CG GLN A 22 24.257 -25.136 8.610 1.00 50.35 C ATOM 366 CD GLN A 22 23.894 -26.196 7.589 1.00 33.42 C ATOM 367 OE1 GLN A 22 24.765 -26.880 7.050 1.00 53.31 O ATOM 368 NE2 GLN A 22 22.602 -26.340 7.319 1.00 74.05 N ATOM 0 H GLN A 22 26.799 -24.282 10.016 1.00 12.02 H new ATOM 0 HA GLN A 22 26.710 -25.323 7.267 1.00 50.44 H new ATOM 0 HB2 GLN A 22 25.078 -23.160 8.655 1.00 63.04 H new ATOM 0 HB3 GLN A 22 24.794 -23.783 7.041 1.00 63.04 H new ATOM 0 HG2 GLN A 22 24.759 -25.607 9.455 1.00 50.35 H new ATOM 0 HG3 GLN A 22 23.345 -24.680 8.995 1.00 50.35 H new ATOM 0 HE21 GLN A 22 21.914 -25.752 7.789 1.00 74.05 H new ATOM 0 HE22 GLN A 22 22.297 -27.039 6.641 1.00 74.05 H new ATOM 377 N LEU A 23 27.805 -22.366 8.212 1.00 43.30 N ATOM 378 CA LEU A 23 28.595 -21.215 7.788 1.00 54.53 C ATOM 379 C LEU A 23 29.981 -21.647 7.320 1.00 33.15 C ATOM 380 O LEU A 23 30.392 -21.345 6.201 1.00 0.21 O ATOM 381 CB LEU A 23 28.721 -20.208 8.933 1.00 50.04 C ATOM 382 CG LEU A 23 27.431 -19.884 9.687 1.00 52.45 C ATOM 383 CD1 LEU A 23 27.727 -19.029 10.909 1.00 25.33 C ATOM 384 CD2 LEU A 23 26.440 -19.181 8.770 1.00 10.42 C ATOM 0 H LEU A 23 27.559 -22.367 9.202 1.00 43.30 H new ATOM 0 HA LEU A 23 28.081 -20.742 6.951 1.00 54.53 H new ATOM 0 HB2 LEU A 23 29.450 -20.590 9.648 1.00 50.04 H new ATOM 0 HB3 LEU A 23 29.126 -19.279 8.531 1.00 50.04 H new ATOM 0 HG LEU A 23 26.985 -20.820 10.023 1.00 52.45 H new ATOM 0 HD11 LEU A 23 26.797 -18.809 11.433 1.00 25.33 H new ATOM 0 HD12 LEU A 23 28.400 -19.568 11.576 1.00 25.33 H new ATOM 0 HD13 LEU A 23 28.197 -18.097 10.596 1.00 25.33 H new ATOM 0 HD21 LEU A 23 25.528 -18.958 9.323 1.00 10.42 H new ATOM 0 HD22 LEU A 23 26.879 -18.253 8.404 1.00 10.42 H new ATOM 0 HD23 LEU A 23 26.203 -19.828 7.926 1.00 10.42 H new ATOM 396 N GLY A 24 30.696 -22.359 8.186 1.00 2.01 N ATOM 397 CA GLY A 24 32.028 -22.824 7.843 1.00 15.41 C ATOM 398 C GLY A 24 32.995 -21.682 7.598 1.00 33.53 C ATOM 399 O GLY A 24 33.618 -21.177 8.532 1.00 14.11 O ATOM 0 H GLY A 24 30.377 -22.622 9.118 1.00 2.01 H new ATOM 0 HA2 GLY A 24 32.409 -23.452 8.648 1.00 15.41 H new ATOM 0 HA3 GLY A 24 31.973 -23.448 6.951 1.00 15.41 H new ATOM 403 N ARG A 25 33.122 -21.277 6.339 1.00 4.32 N ATOM 404 CA ARG A 25 34.023 -20.190 5.974 1.00 21.03 C ATOM 405 C ARG A 25 33.238 -18.948 5.564 1.00 50.25 C ATOM 406 O ARG A 25 33.735 -18.105 4.815 1.00 22.21 O ATOM 407 CB ARG A 25 34.945 -20.624 4.833 1.00 33.42 C ATOM 408 CG ARG A 25 34.207 -20.949 3.545 1.00 60.05 C ATOM 409 CD ARG A 25 35.160 -21.435 2.464 1.00 24.42 C ATOM 410 NE ARG A 25 36.288 -20.526 2.280 1.00 63.21 N ATOM 411 CZ ARG A 25 36.195 -19.355 1.660 1.00 35.00 C ATOM 412 NH1 ARG A 25 35.031 -18.953 1.168 1.00 12.01 N ATOM 413 NH2 ARG A 25 37.266 -18.583 1.532 1.00 62.22 N ATOM 0 H ARG A 25 32.613 -21.685 5.555 1.00 4.32 H new ATOM 0 HA ARG A 25 34.628 -19.945 6.847 1.00 21.03 H new ATOM 0 HB2 ARG A 25 35.667 -19.831 4.638 1.00 33.42 H new ATOM 0 HB3 ARG A 25 35.512 -21.500 5.148 1.00 33.42 H new ATOM 0 HG2 ARG A 25 33.454 -21.713 3.739 1.00 60.05 H new ATOM 0 HG3 ARG A 25 33.678 -20.063 3.194 1.00 60.05 H new ATOM 0 HD2 ARG A 25 35.532 -22.425 2.727 1.00 24.42 H new ATOM 0 HD3 ARG A 25 34.619 -21.537 1.523 1.00 24.42 H new ATOM 0 HE ARG A 25 37.197 -20.806 2.648 1.00 63.21 H new ATOM 0 HH11 ARG A 25 34.205 -19.543 1.265 1.00 12.01 H new ATOM 0 HH12 ARG A 25 34.962 -18.053 0.692 1.00 12.01 H new ATOM 0 HH21 ARG A 25 38.163 -18.888 1.910 1.00 62.22 H new ATOM 0 HH22 ARG A 25 37.193 -17.684 1.056 1.00 62.22 H new ATOM 427 N LEU A 26 32.009 -18.841 6.057 1.00 3.11 N ATOM 428 CA LEU A 26 31.154 -17.702 5.741 1.00 3.13 C ATOM 429 C LEU A 26 31.175 -16.676 6.870 1.00 33.32 C ATOM 430 O LEU A 26 31.712 -16.933 7.948 1.00 44.00 O ATOM 431 CB LEU A 26 29.720 -18.170 5.488 1.00 23.21 C ATOM 432 CG LEU A 26 29.320 -18.343 4.023 1.00 74.24 C ATOM 433 CD1 LEU A 26 28.415 -19.554 3.856 1.00 63.40 C ATOM 434 CD2 LEU A 26 28.633 -17.087 3.506 1.00 71.43 C ATOM 0 H LEU A 26 31.582 -19.529 6.677 1.00 3.11 H new ATOM 0 HA LEU A 26 31.540 -17.229 4.838 1.00 3.13 H new ATOM 0 HB2 LEU A 26 29.574 -19.122 5.999 1.00 23.21 H new ATOM 0 HB3 LEU A 26 29.039 -17.454 5.948 1.00 23.21 H new ATOM 0 HG LEU A 26 30.224 -18.507 3.437 1.00 74.24 H new ATOM 0 HD11 LEU A 26 28.141 -19.661 2.807 1.00 63.40 H new ATOM 0 HD12 LEU A 26 28.941 -20.450 4.187 1.00 63.40 H new ATOM 0 HD13 LEU A 26 27.514 -19.420 4.455 1.00 63.40 H new ATOM 0 HD21 LEU A 26 28.355 -17.228 2.461 1.00 71.43 H new ATOM 0 HD22 LEU A 26 27.738 -16.893 4.097 1.00 71.43 H new ATOM 0 HD23 LEU A 26 29.314 -16.240 3.589 1.00 71.43 H new ATOM 446 N THR A 27 30.583 -15.513 6.617 1.00 41.12 N ATOM 447 CA THR A 27 30.532 -14.449 7.611 1.00 1.23 C ATOM 448 C THR A 27 29.324 -13.546 7.390 1.00 73.55 C ATOM 449 O THR A 27 28.739 -13.530 6.306 1.00 52.14 O ATOM 450 CB THR A 27 31.811 -13.591 7.582 1.00 2.03 C ATOM 451 OG1 THR A 27 32.313 -13.505 6.244 1.00 25.41 O ATOM 452 CG2 THR A 27 32.878 -14.179 8.493 1.00 21.42 C ATOM 0 H THR A 27 30.132 -15.284 5.731 1.00 41.12 H new ATOM 0 HA THR A 27 30.448 -14.931 8.585 1.00 1.23 H new ATOM 0 HB THR A 27 31.560 -12.592 7.940 1.00 2.03 H new ATOM 0 HG1 THR A 27 32.333 -12.567 5.962 1.00 25.41 H new ATOM 0 HG21 THR A 27 33.772 -13.556 8.456 1.00 21.42 H new ATOM 0 HG22 THR A 27 32.503 -14.215 9.516 1.00 21.42 H new ATOM 0 HG23 THR A 27 33.125 -15.187 8.161 1.00 21.42 H new ATOM 460 N LEU A 28 28.954 -12.796 8.422 1.00 61.33 N ATOM 461 CA LEU A 28 27.814 -11.890 8.339 1.00 3.53 C ATOM 462 C LEU A 28 27.921 -10.991 7.112 1.00 42.25 C ATOM 463 O LEU A 28 26.936 -10.762 6.411 1.00 12.21 O ATOM 464 CB LEU A 28 27.725 -11.035 9.605 1.00 51.12 C ATOM 465 CG LEU A 28 26.345 -10.944 10.257 1.00 20.13 C ATOM 466 CD1 LEU A 28 26.456 -11.109 11.765 1.00 34.31 C ATOM 467 CD2 LEU A 28 25.677 -9.621 9.911 1.00 25.14 C ATOM 0 H LEU A 28 29.427 -12.797 9.326 1.00 61.33 H new ATOM 0 HA LEU A 28 26.909 -12.491 8.248 1.00 3.53 H new ATOM 0 HB2 LEU A 28 28.426 -11.433 10.339 1.00 51.12 H new ATOM 0 HB3 LEU A 28 28.057 -10.026 9.362 1.00 51.12 H new ATOM 0 HG LEU A 28 25.726 -11.753 9.868 1.00 20.13 H new ATOM 0 HD11 LEU A 28 25.464 -11.041 12.212 1.00 34.31 H new ATOM 0 HD12 LEU A 28 26.892 -12.082 11.993 1.00 34.31 H new ATOM 0 HD13 LEU A 28 27.092 -10.322 12.171 1.00 34.31 H new ATOM 0 HD21 LEU A 28 24.696 -9.574 10.384 1.00 25.14 H new ATOM 0 HD22 LEU A 28 26.293 -8.797 10.271 1.00 25.14 H new ATOM 0 HD23 LEU A 28 25.563 -9.543 8.830 1.00 25.14 H new ATOM 479 N GLU A 29 29.125 -10.486 6.857 1.00 75.45 N ATOM 480 CA GLU A 29 29.359 -9.614 5.712 1.00 5.10 C ATOM 481 C GLU A 29 29.030 -10.330 4.405 1.00 22.14 C ATOM 482 O GLU A 29 28.440 -9.746 3.497 1.00 62.00 O ATOM 483 CB GLU A 29 30.814 -9.140 5.694 1.00 2.10 C ATOM 484 CG GLU A 29 31.157 -8.273 4.494 1.00 10.45 C ATOM 485 CD GLU A 29 31.580 -6.871 4.890 1.00 65.33 C ATOM 486 OE1 GLU A 29 31.045 -6.351 5.891 1.00 40.43 O ATOM 487 OE2 GLU A 29 32.446 -6.295 4.199 1.00 64.44 O ATOM 0 H GLU A 29 29.952 -10.666 7.427 1.00 75.45 H new ATOM 0 HA GLU A 29 28.703 -8.749 5.807 1.00 5.10 H new ATOM 0 HB2 GLU A 29 31.016 -8.579 6.606 1.00 2.10 H new ATOM 0 HB3 GLU A 29 31.471 -10.010 5.703 1.00 2.10 H new ATOM 0 HG2 GLU A 29 31.960 -8.744 3.927 1.00 10.45 H new ATOM 0 HG3 GLU A 29 30.292 -8.215 3.833 1.00 10.45 H new ATOM 494 N MET A 30 29.417 -11.599 4.319 1.00 12.31 N ATOM 495 CA MET A 30 29.162 -12.395 3.124 1.00 24.23 C ATOM 496 C MET A 30 27.664 -12.552 2.884 1.00 22.14 C ATOM 497 O MET A 30 27.188 -12.409 1.759 1.00 64.45 O ATOM 498 CB MET A 30 29.817 -13.772 3.254 1.00 11.11 C ATOM 499 CG MET A 30 31.332 -13.739 3.130 1.00 55.22 C ATOM 500 SD MET A 30 32.040 -15.370 2.834 1.00 71.32 S ATOM 501 CE MET A 30 33.744 -15.091 3.309 1.00 0.31 C ATOM 0 H MET A 30 29.908 -12.097 5.062 1.00 12.31 H new ATOM 0 HA MET A 30 29.595 -11.873 2.271 1.00 24.23 H new ATOM 0 HB2 MET A 30 29.549 -14.203 4.219 1.00 11.11 H new ATOM 0 HB3 MET A 30 29.412 -14.432 2.487 1.00 11.11 H new ATOM 0 HG2 MET A 30 31.611 -13.072 2.314 1.00 55.22 H new ATOM 0 HG3 MET A 30 31.758 -13.322 4.042 1.00 55.22 H new ATOM 0 HE1 MET A 30 34.313 -16.012 3.181 1.00 0.31 H new ATOM 0 HE2 MET A 30 34.173 -14.309 2.682 1.00 0.31 H new ATOM 0 HE3 MET A 30 33.785 -14.782 4.353 1.00 0.31 H new ATOM 511 N MET A 31 26.926 -12.847 3.950 1.00 45.11 N ATOM 512 CA MET A 31 25.482 -13.022 3.854 1.00 71.20 C ATOM 513 C MET A 31 24.780 -11.677 3.701 1.00 10.43 C ATOM 514 O MET A 31 23.750 -11.575 3.036 1.00 21.52 O ATOM 515 CB MET A 31 24.952 -13.750 5.091 1.00 53.21 C ATOM 516 CG MET A 31 25.123 -15.259 5.028 1.00 1.24 C ATOM 517 SD MET A 31 23.844 -16.142 5.943 1.00 41.44 S ATOM 518 CE MET A 31 24.823 -16.929 7.220 1.00 53.43 C ATOM 0 H MET A 31 27.304 -12.970 4.889 1.00 45.11 H new ATOM 0 HA MET A 31 25.272 -13.623 2.970 1.00 71.20 H new ATOM 0 HB2 MET A 31 25.467 -13.371 5.974 1.00 53.21 H new ATOM 0 HB3 MET A 31 23.894 -13.517 5.214 1.00 53.21 H new ATOM 0 HG2 MET A 31 25.106 -15.579 3.986 1.00 1.24 H new ATOM 0 HG3 MET A 31 26.101 -15.527 5.428 1.00 1.24 H new ATOM 0 HE1 MET A 31 24.739 -18.012 7.127 1.00 53.43 H new ATOM 0 HE2 MET A 31 25.867 -16.635 7.111 1.00 53.43 H new ATOM 0 HE3 MET A 31 24.459 -16.620 8.200 1.00 53.43 H new ATOM 528 N ASN A 32 25.344 -10.646 4.322 1.00 5.20 N ATOM 529 CA ASN A 32 24.772 -9.306 4.255 1.00 35.44 C ATOM 530 C ASN A 32 24.693 -8.820 2.812 1.00 51.44 C ATOM 531 O ASN A 32 23.700 -8.220 2.402 1.00 14.32 O ATOM 532 CB ASN A 32 25.604 -8.331 5.090 1.00 41.24 C ATOM 533 CG ASN A 32 25.008 -6.937 5.115 1.00 52.30 C ATOM 534 OD1 ASN A 32 23.838 -6.756 5.453 1.00 71.01 O ATOM 535 ND2 ASN A 32 25.812 -5.943 4.756 1.00 0.21 N ATOM 0 H ASN A 32 26.197 -10.713 4.877 1.00 5.20 H new ATOM 0 HA ASN A 32 23.761 -9.349 4.660 1.00 35.44 H new ATOM 0 HB2 ASN A 32 25.684 -8.707 6.110 1.00 41.24 H new ATOM 0 HB3 ASN A 32 26.616 -8.283 4.687 1.00 41.24 H new ATOM 0 HD21 ASN A 32 25.467 -4.983 4.753 1.00 0.21 H new ATOM 0 HD22 ASN A 32 26.775 -6.139 4.483 1.00 0.21 H new ATOM 542 N GLU A 33 25.747 -9.083 2.046 1.00 70.24 N ATOM 543 CA GLU A 33 25.797 -8.672 0.648 1.00 54.44 C ATOM 544 C GLU A 33 25.016 -9.642 -0.233 1.00 73.35 C ATOM 545 O GLU A 33 24.473 -9.257 -1.270 1.00 31.34 O ATOM 546 CB GLU A 33 27.248 -8.586 0.169 1.00 15.23 C ATOM 547 CG GLU A 33 28.035 -9.868 0.380 1.00 32.23 C ATOM 548 CD GLU A 33 29.533 -9.657 0.277 1.00 52.11 C ATOM 549 OE1 GLU A 33 29.994 -9.197 -0.789 1.00 22.22 O ATOM 550 OE2 GLU A 33 30.243 -9.951 1.261 1.00 64.05 O ATOM 0 H GLU A 33 26.578 -9.579 2.370 1.00 70.24 H new ATOM 0 HA GLU A 33 25.337 -7.687 0.570 1.00 54.44 H new ATOM 0 HB2 GLU A 33 27.257 -8.334 -0.891 1.00 15.23 H new ATOM 0 HB3 GLU A 33 27.748 -7.772 0.694 1.00 15.23 H new ATOM 0 HG2 GLU A 33 27.796 -10.279 1.361 1.00 32.23 H new ATOM 0 HG3 GLU A 33 27.724 -10.606 -0.359 1.00 32.23 H new ATOM 557 N ILE A 34 24.964 -10.902 0.186 1.00 63.13 N ATOM 558 CA ILE A 34 24.250 -11.928 -0.564 1.00 40.23 C ATOM 559 C ILE A 34 22.741 -11.730 -0.466 1.00 42.12 C ATOM 560 O ILE A 34 22.028 -11.801 -1.467 1.00 44.35 O ATOM 561 CB ILE A 34 24.605 -13.341 -0.064 1.00 52.43 C ATOM 562 CG1 ILE A 34 26.020 -13.720 -0.503 1.00 65.13 C ATOM 563 CG2 ILE A 34 23.595 -14.354 -0.580 1.00 75.35 C ATOM 564 CD1 ILE A 34 26.630 -14.833 0.319 1.00 22.44 C ATOM 0 H ILE A 34 25.408 -11.237 1.041 1.00 63.13 H new ATOM 0 HA ILE A 34 24.560 -11.832 -1.605 1.00 40.23 H new ATOM 0 HB ILE A 34 24.570 -13.345 1.025 1.00 52.43 H new ATOM 0 HG12 ILE A 34 25.998 -14.023 -1.550 1.00 65.13 H new ATOM 0 HG13 ILE A 34 26.660 -12.840 -0.439 1.00 65.13 H new ATOM 0 HG21 ILE A 34 23.859 -15.348 -0.218 1.00 75.35 H new ATOM 0 HG22 ILE A 34 22.600 -14.090 -0.222 1.00 75.35 H new ATOM 0 HG23 ILE A 34 23.601 -14.351 -1.670 1.00 75.35 H new ATOM 0 HD11 ILE A 34 27.633 -15.049 -0.049 1.00 22.44 H new ATOM 0 HD12 ILE A 34 26.684 -14.526 1.363 1.00 22.44 H new ATOM 0 HD13 ILE A 34 26.013 -15.727 0.235 1.00 22.44 H new ATOM 576 N VAL A 35 22.260 -11.480 0.748 1.00 43.45 N ATOM 577 CA VAL A 35 20.836 -11.268 0.977 1.00 61.01 C ATOM 578 C VAL A 35 20.399 -9.892 0.488 1.00 42.22 C ATOM 579 O VAL A 35 19.251 -9.699 0.088 1.00 31.33 O ATOM 580 CB VAL A 35 20.481 -11.407 2.469 1.00 2.12 C ATOM 581 CG1 VAL A 35 18.973 -11.393 2.663 1.00 14.41 C ATOM 582 CG2 VAL A 35 21.089 -12.677 3.045 1.00 60.00 C ATOM 0 H VAL A 35 22.836 -11.419 1.588 1.00 43.45 H new ATOM 0 HA VAL A 35 20.307 -12.036 0.412 1.00 61.01 H new ATOM 0 HB VAL A 35 20.900 -10.555 3.005 1.00 2.12 H new ATOM 0 HG11 VAL A 35 18.742 -11.492 3.724 1.00 14.41 H new ATOM 0 HG12 VAL A 35 18.567 -10.453 2.289 1.00 14.41 H new ATOM 0 HG13 VAL A 35 18.528 -12.224 2.115 1.00 14.41 H new ATOM 0 HG21 VAL A 35 20.828 -12.759 4.100 1.00 60.00 H new ATOM 0 HG22 VAL A 35 20.702 -13.542 2.507 1.00 60.00 H new ATOM 0 HG23 VAL A 35 22.173 -12.641 2.941 1.00 60.00 H new ATOM 592 N SER A 36 21.323 -8.937 0.522 1.00 42.13 N ATOM 593 CA SER A 36 21.033 -7.576 0.085 1.00 72.32 C ATOM 594 C SER A 36 20.924 -7.505 -1.435 1.00 63.43 C ATOM 595 O SER A 36 20.071 -6.802 -1.977 1.00 2.12 O ATOM 596 CB SER A 36 22.120 -6.618 0.575 1.00 14.31 C ATOM 597 OG SER A 36 22.166 -5.448 -0.223 1.00 14.30 O ATOM 0 H SER A 36 22.279 -9.081 0.848 1.00 42.13 H new ATOM 0 HA SER A 36 20.076 -7.279 0.515 1.00 72.32 H new ATOM 0 HB2 SER A 36 21.929 -6.347 1.613 1.00 14.31 H new ATOM 0 HB3 SER A 36 23.088 -7.118 0.549 1.00 14.31 H new ATOM 0 HG SER A 36 22.868 -4.851 0.112 1.00 14.30 H new ATOM 603 N LYS A 37 21.795 -8.239 -2.119 1.00 65.42 N ATOM 604 CA LYS A 37 21.799 -8.263 -3.577 1.00 41.31 C ATOM 605 C LYS A 37 20.602 -9.042 -4.112 1.00 12.02 C ATOM 606 O LYS A 37 19.889 -8.572 -4.998 1.00 1.41 O ATOM 607 CB LYS A 37 23.098 -8.885 -4.094 1.00 42.34 C ATOM 608 CG LYS A 37 24.130 -7.860 -4.535 1.00 32.44 C ATOM 609 CD LYS A 37 23.603 -6.988 -5.662 1.00 3.45 C ATOM 610 CE LYS A 37 24.590 -5.888 -6.023 1.00 25.41 C ATOM 611 NZ LYS A 37 23.966 -4.538 -5.955 1.00 62.15 N ATOM 0 H LYS A 37 22.508 -8.826 -1.686 1.00 65.42 H new ATOM 0 HA LYS A 37 21.729 -7.235 -3.932 1.00 41.31 H new ATOM 0 HB2 LYS A 37 23.529 -9.509 -3.311 1.00 42.34 H new ATOM 0 HB3 LYS A 37 22.868 -9.541 -4.934 1.00 42.34 H new ATOM 0 HG2 LYS A 37 24.407 -7.233 -3.687 1.00 32.44 H new ATOM 0 HG3 LYS A 37 25.035 -8.371 -4.862 1.00 32.44 H new ATOM 0 HD2 LYS A 37 23.407 -7.604 -6.539 1.00 3.45 H new ATOM 0 HD3 LYS A 37 22.653 -6.543 -5.366 1.00 3.45 H new ATOM 0 HE2 LYS A 37 25.443 -5.928 -5.345 1.00 25.41 H new ATOM 0 HE3 LYS A 37 24.974 -6.060 -7.029 1.00 25.41 H new ATOM 0 HZ1 LYS A 37 24.671 -3.817 -6.208 1.00 62.15 H new ATOM 0 HZ2 LYS A 37 23.168 -4.490 -6.620 1.00 62.15 H new ATOM 0 HZ3 LYS A 37 23.622 -4.363 -4.989 1.00 62.15 H new ATOM 625 N MET A 38 20.386 -10.235 -3.566 1.00 44.44 N ATOM 626 CA MET A 38 19.273 -11.077 -3.988 1.00 21.25 C ATOM 627 C MET A 38 17.946 -10.340 -3.836 1.00 61.52 C ATOM 628 O MET A 38 17.080 -10.417 -4.708 1.00 0.11 O ATOM 629 CB MET A 38 19.248 -12.371 -3.171 1.00 54.13 C ATOM 630 CG MET A 38 18.679 -12.196 -1.773 1.00 13.14 C ATOM 631 SD MET A 38 18.596 -13.747 -0.857 1.00 70.23 S ATOM 632 CE MET A 38 20.282 -14.329 -1.024 1.00 52.00 C ATOM 0 H MET A 38 20.967 -10.640 -2.831 1.00 44.44 H new ATOM 0 HA MET A 38 19.413 -11.322 -5.041 1.00 21.25 H new ATOM 0 HB2 MET A 38 18.658 -13.116 -3.704 1.00 54.13 H new ATOM 0 HB3 MET A 38 20.262 -12.763 -3.095 1.00 54.13 H new ATOM 0 HG2 MET A 38 19.294 -11.485 -1.221 1.00 13.14 H new ATOM 0 HG3 MET A 38 17.680 -11.766 -1.843 1.00 13.14 H new ATOM 0 HE1 MET A 38 20.640 -14.688 -0.059 1.00 52.00 H new ATOM 0 HE2 MET A 38 20.316 -15.142 -1.749 1.00 52.00 H new ATOM 0 HE3 MET A 38 20.917 -13.512 -1.366 1.00 52.00 H new ATOM 642 N ASP A 39 17.793 -9.628 -2.725 1.00 64.32 N ATOM 643 CA ASP A 39 16.572 -8.877 -2.460 1.00 73.24 C ATOM 644 C ASP A 39 16.442 -7.695 -3.416 1.00 64.55 C ATOM 645 O ASP A 39 15.336 -7.293 -3.776 1.00 33.31 O ATOM 646 CB ASP A 39 16.555 -8.383 -1.013 1.00 44.52 C ATOM 647 CG ASP A 39 16.975 -6.931 -0.893 1.00 3.31 C ATOM 648 OD1 ASP A 39 16.180 -6.049 -1.280 1.00 43.35 O ATOM 649 OD2 ASP A 39 18.098 -6.676 -0.410 1.00 64.43 O ATOM 0 H ASP A 39 18.500 -9.555 -1.993 1.00 64.32 H new ATOM 0 HA ASP A 39 15.724 -9.543 -2.618 1.00 73.24 H new ATOM 0 HB2 ASP A 39 15.552 -8.504 -0.603 1.00 44.52 H new ATOM 0 HB3 ASP A 39 17.222 -9.002 -0.413 1.00 44.52 H new ATOM 654 N ASP A 40 17.580 -7.143 -3.823 1.00 70.35 N ATOM 655 CA ASP A 40 17.594 -6.007 -4.738 1.00 23.32 C ATOM 656 C ASP A 40 16.960 -6.378 -6.075 1.00 1.01 C ATOM 657 O ASP A 40 16.010 -5.735 -6.523 1.00 23.22 O ATOM 658 CB ASP A 40 19.027 -5.520 -4.957 1.00 2.53 C ATOM 659 CG ASP A 40 19.100 -4.347 -5.916 1.00 33.44 C ATOM 660 OD1 ASP A 40 18.160 -3.525 -5.920 1.00 74.00 O ATOM 661 OD2 ASP A 40 20.097 -4.252 -6.661 1.00 11.01 O ATOM 0 H ASP A 40 18.504 -7.463 -3.534 1.00 70.35 H new ATOM 0 HA ASP A 40 17.009 -5.204 -4.290 1.00 23.32 H new ATOM 0 HB2 ASP A 40 19.459 -5.230 -3.999 1.00 2.53 H new ATOM 0 HB3 ASP A 40 19.631 -6.340 -5.344 1.00 2.53 H new ATOM 666 N PHE A 41 17.492 -7.418 -6.708 1.00 43.13 N ATOM 667 CA PHE A 41 16.980 -7.873 -7.995 1.00 71.15 C ATOM 668 C PHE A 41 15.519 -8.297 -7.880 1.00 32.51 C ATOM 669 O PHE A 41 14.681 -7.908 -8.694 1.00 71.15 O ATOM 670 CB PHE A 41 17.821 -9.038 -8.520 1.00 63.40 C ATOM 671 CG PHE A 41 18.071 -8.979 -10.000 1.00 1.01 C ATOM 672 CD1 PHE A 41 17.092 -8.514 -10.863 1.00 11.20 C ATOM 673 CD2 PHE A 41 19.285 -9.388 -10.528 1.00 1.40 C ATOM 674 CE1 PHE A 41 17.319 -8.459 -12.225 1.00 40.11 C ATOM 675 CE2 PHE A 41 19.518 -9.335 -11.889 1.00 41.44 C ATOM 676 CZ PHE A 41 18.534 -8.869 -12.739 1.00 10.41 C ATOM 0 H PHE A 41 18.278 -7.962 -6.351 1.00 43.13 H new ATOM 0 HA PHE A 41 17.045 -7.042 -8.697 1.00 71.15 H new ATOM 0 HB2 PHE A 41 18.778 -9.049 -7.998 1.00 63.40 H new ATOM 0 HB3 PHE A 41 17.318 -9.975 -8.282 1.00 63.40 H new ATOM 0 HD1 PHE A 41 16.141 -8.191 -10.467 1.00 11.20 H new ATOM 0 HD2 PHE A 41 20.058 -9.753 -9.868 1.00 1.40 H new ATOM 0 HE1 PHE A 41 16.547 -8.096 -12.887 1.00 40.11 H new ATOM 0 HE2 PHE A 41 20.468 -9.658 -12.288 1.00 41.44 H new ATOM 0 HZ PHE A 41 18.714 -8.825 -13.803 1.00 10.41 H new ATOM 686 N LEU A 42 15.220 -9.098 -6.863 1.00 25.41 N ATOM 687 CA LEU A 42 13.861 -9.577 -6.640 1.00 33.34 C ATOM 688 C LEU A 42 12.920 -8.418 -6.327 1.00 74.32 C ATOM 689 O LEU A 42 11.729 -8.474 -6.631 1.00 55.04 O ATOM 690 CB LEU A 42 13.838 -10.591 -5.494 1.00 53.20 C ATOM 691 CG LEU A 42 13.151 -11.924 -5.791 1.00 63.45 C ATOM 692 CD1 LEU A 42 11.642 -11.747 -5.846 1.00 72.42 C ATOM 693 CD2 LEU A 42 13.669 -12.511 -7.097 1.00 30.34 C ATOM 0 H LEU A 42 15.901 -9.429 -6.180 1.00 25.41 H new ATOM 0 HA LEU A 42 13.519 -10.063 -7.554 1.00 33.34 H new ATOM 0 HB2 LEU A 42 14.866 -10.794 -5.194 1.00 53.20 H new ATOM 0 HB3 LEU A 42 13.342 -10.132 -4.639 1.00 53.20 H new ATOM 0 HG LEU A 42 13.385 -12.619 -4.985 1.00 63.45 H new ATOM 0 HD11 LEU A 42 11.171 -12.707 -6.058 1.00 72.42 H new ATOM 0 HD12 LEU A 42 11.285 -11.371 -4.887 1.00 72.42 H new ATOM 0 HD13 LEU A 42 11.387 -11.036 -6.632 1.00 72.42 H new ATOM 0 HD21 LEU A 42 13.169 -13.460 -7.293 1.00 30.34 H new ATOM 0 HD22 LEU A 42 13.465 -11.818 -7.913 1.00 30.34 H new ATOM 0 HD23 LEU A 42 14.744 -12.676 -7.021 1.00 30.34 H new ATOM 705 N MET A 43 13.463 -7.368 -5.720 1.00 63.52 N ATOM 706 CA MET A 43 12.672 -6.194 -5.370 1.00 63.41 C ATOM 707 C MET A 43 12.216 -5.453 -6.623 1.00 32.23 C ATOM 708 O MET A 43 11.097 -4.942 -6.681 1.00 62.23 O ATOM 709 CB MET A 43 13.483 -5.255 -4.475 1.00 31.43 C ATOM 710 CG MET A 43 12.767 -3.953 -4.154 1.00 63.21 C ATOM 711 SD MET A 43 11.155 -4.216 -3.392 1.00 33.35 S ATOM 712 CE MET A 43 10.664 -2.529 -3.046 1.00 41.31 C ATOM 0 H MET A 43 14.447 -7.306 -5.460 1.00 63.52 H new ATOM 0 HA MET A 43 11.789 -6.530 -4.826 1.00 63.41 H new ATOM 0 HB2 MET A 43 13.720 -5.769 -3.544 1.00 31.43 H new ATOM 0 HB3 MET A 43 14.430 -5.028 -4.964 1.00 31.43 H new ATOM 0 HG2 MET A 43 13.388 -3.357 -3.485 1.00 63.21 H new ATOM 0 HG3 MET A 43 12.641 -3.376 -5.071 1.00 63.21 H new ATOM 0 HE1 MET A 43 10.257 -2.468 -2.037 1.00 41.31 H new ATOM 0 HE2 MET A 43 11.531 -1.874 -3.127 1.00 41.31 H new ATOM 0 HE3 MET A 43 9.905 -2.217 -3.763 1.00 41.31 H new ATOM 722 N LYS A 44 13.089 -5.398 -7.623 1.00 55.21 N ATOM 723 CA LYS A 44 12.775 -4.720 -8.876 1.00 25.15 C ATOM 724 C LYS A 44 11.748 -5.510 -9.679 1.00 54.14 C ATOM 725 O LYS A 44 10.880 -4.933 -10.335 1.00 41.43 O ATOM 726 CB LYS A 44 14.047 -4.525 -9.705 1.00 54.41 C ATOM 727 CG LYS A 44 14.224 -5.562 -10.800 1.00 20.42 C ATOM 728 CD LYS A 44 15.587 -5.447 -11.462 1.00 31.33 C ATOM 729 CE LYS A 44 15.611 -4.334 -12.498 1.00 72.32 C ATOM 730 NZ LYS A 44 15.862 -3.004 -11.878 1.00 31.02 N ATOM 0 H LYS A 44 14.019 -5.815 -7.591 1.00 55.21 H new ATOM 0 HA LYS A 44 12.351 -3.745 -8.637 1.00 25.15 H new ATOM 0 HB2 LYS A 44 14.028 -3.533 -10.156 1.00 54.41 H new ATOM 0 HB3 LYS A 44 14.911 -4.558 -9.042 1.00 54.41 H new ATOM 0 HG2 LYS A 44 14.106 -6.561 -10.379 1.00 20.42 H new ATOM 0 HG3 LYS A 44 13.443 -5.438 -11.550 1.00 20.42 H new ATOM 0 HD2 LYS A 44 16.346 -5.256 -10.704 1.00 31.33 H new ATOM 0 HD3 LYS A 44 15.843 -6.394 -11.938 1.00 31.33 H new ATOM 0 HE2 LYS A 44 16.385 -4.542 -13.237 1.00 72.32 H new ATOM 0 HE3 LYS A 44 14.660 -4.313 -13.030 1.00 72.32 H new ATOM 0 HZ1 LYS A 44 15.031 -2.394 -12.017 1.00 31.02 H new ATOM 0 HZ2 LYS A 44 16.038 -3.123 -10.860 1.00 31.02 H new ATOM 0 HZ3 LYS A 44 16.693 -2.565 -12.323 1.00 31.02 H new ATOM 744 N LYS A 45 11.850 -6.833 -9.623 1.00 75.54 N ATOM 745 CA LYS A 45 10.928 -7.704 -10.344 1.00 15.44 C ATOM 746 C LYS A 45 9.508 -7.556 -9.806 1.00 32.24 C ATOM 747 O LYS A 45 8.568 -7.319 -10.564 1.00 40.43 O ATOM 748 CB LYS A 45 11.378 -9.162 -10.232 1.00 53.00 C ATOM 749 CG LYS A 45 10.516 -10.127 -11.028 1.00 45.03 C ATOM 750 CD LYS A 45 11.212 -11.464 -11.224 1.00 40.43 C ATOM 751 CE LYS A 45 10.313 -12.460 -11.941 1.00 44.32 C ATOM 752 NZ LYS A 45 10.045 -12.052 -13.348 1.00 41.01 N ATOM 0 H LYS A 45 12.562 -7.327 -9.085 1.00 75.54 H new ATOM 0 HA LYS A 45 10.933 -7.409 -11.393 1.00 15.44 H new ATOM 0 HB2 LYS A 45 12.410 -9.242 -10.574 1.00 53.00 H new ATOM 0 HB3 LYS A 45 11.366 -9.458 -9.183 1.00 53.00 H new ATOM 0 HG2 LYS A 45 9.569 -10.281 -10.512 1.00 45.03 H new ATOM 0 HG3 LYS A 45 10.282 -9.691 -11.999 1.00 45.03 H new ATOM 0 HD2 LYS A 45 12.127 -11.319 -11.799 1.00 40.43 H new ATOM 0 HD3 LYS A 45 11.505 -11.868 -10.255 1.00 40.43 H new ATOM 0 HE2 LYS A 45 10.781 -13.444 -11.931 1.00 44.32 H new ATOM 0 HE3 LYS A 45 9.369 -12.550 -11.403 1.00 44.32 H new ATOM 0 HZ1 LYS A 45 9.898 -12.899 -13.933 1.00 41.01 H new ATOM 0 HZ2 LYS A 45 9.193 -11.457 -13.381 1.00 41.01 H new ATOM 0 HZ3 LYS A 45 10.857 -11.515 -13.714 1.00 41.01 H new ATOM 766 N SER A 46 9.360 -7.697 -8.492 1.00 72.43 N ATOM 767 CA SER A 46 8.054 -7.582 -7.853 1.00 61.14 C ATOM 768 C SER A 46 7.473 -6.186 -8.053 1.00 0.40 C ATOM 769 O SER A 46 6.256 -6.002 -8.062 1.00 14.14 O ATOM 770 CB SER A 46 8.165 -7.892 -6.359 1.00 73.13 C ATOM 771 OG SER A 46 8.983 -6.941 -5.700 1.00 54.13 O ATOM 0 H SER A 46 10.128 -7.891 -7.850 1.00 72.43 H new ATOM 0 HA SER A 46 7.384 -8.305 -8.318 1.00 61.14 H new ATOM 0 HB2 SER A 46 7.172 -7.895 -5.910 1.00 73.13 H new ATOM 0 HB3 SER A 46 8.580 -8.891 -6.221 1.00 73.13 H new ATOM 0 HG SER A 46 9.544 -6.480 -6.358 1.00 54.13 H new ATOM 777 N LYS A 47 8.353 -5.203 -8.213 1.00 71.02 N ATOM 778 CA LYS A 47 7.930 -3.822 -8.414 1.00 63.11 C ATOM 779 C LYS A 47 7.366 -3.624 -9.817 1.00 70.54 C ATOM 780 O LYS A 47 6.509 -2.768 -10.037 1.00 11.03 O ATOM 781 CB LYS A 47 9.106 -2.869 -8.187 1.00 31.11 C ATOM 782 CG LYS A 47 9.568 -2.162 -9.449 1.00 44.20 C ATOM 783 CD LYS A 47 8.700 -0.955 -9.762 1.00 74.22 C ATOM 784 CE LYS A 47 9.450 0.347 -9.530 1.00 11.31 C ATOM 785 NZ LYS A 47 9.201 1.333 -10.618 1.00 73.32 N ATOM 0 H LYS A 47 9.364 -5.337 -8.207 1.00 71.02 H new ATOM 0 HA LYS A 47 7.145 -3.600 -7.691 1.00 63.11 H new ATOM 0 HB2 LYS A 47 8.820 -2.122 -7.446 1.00 31.11 H new ATOM 0 HB3 LYS A 47 9.942 -3.430 -7.768 1.00 31.11 H new ATOM 0 HG2 LYS A 47 10.604 -1.845 -9.331 1.00 44.20 H new ATOM 0 HG3 LYS A 47 9.541 -2.858 -10.288 1.00 44.20 H new ATOM 0 HD2 LYS A 47 8.367 -1.004 -10.799 1.00 74.22 H new ATOM 0 HD3 LYS A 47 7.806 -0.977 -9.139 1.00 74.22 H new ATOM 0 HE2 LYS A 47 9.146 0.776 -8.575 1.00 11.31 H new ATOM 0 HE3 LYS A 47 10.519 0.143 -9.462 1.00 11.31 H new ATOM 0 HZ1 LYS A 47 10.029 1.954 -10.719 1.00 73.32 H new ATOM 0 HZ2 LYS A 47 9.035 0.829 -11.512 1.00 73.32 H new ATOM 0 HZ3 LYS A 47 8.365 1.905 -10.383 1.00 73.32 H new ATOM 799 N ILE A 48 7.851 -4.422 -10.763 1.00 32.31 N ATOM 800 CA ILE A 48 7.392 -4.336 -12.144 1.00 2.03 C ATOM 801 C ILE A 48 6.067 -5.066 -12.329 1.00 74.44 C ATOM 802 O ILE A 48 5.241 -4.677 -13.156 1.00 13.50 O ATOM 803 CB ILE A 48 8.430 -4.923 -13.119 1.00 53.42 C ATOM 804 CG1 ILE A 48 9.690 -4.055 -13.140 1.00 71.10 C ATOM 805 CG2 ILE A 48 7.837 -5.039 -14.516 1.00 21.14 C ATOM 806 CD1 ILE A 48 10.973 -4.855 -13.179 1.00 3.23 C ATOM 0 H ILE A 48 8.561 -5.135 -10.598 1.00 32.31 H new ATOM 0 HA ILE A 48 7.255 -3.278 -12.366 1.00 2.03 H new ATOM 0 HB ILE A 48 8.705 -5.921 -12.777 1.00 53.42 H new ATOM 0 HG12 ILE A 48 9.654 -3.398 -14.009 1.00 71.10 H new ATOM 0 HG13 ILE A 48 9.696 -3.416 -12.257 1.00 71.10 H new ATOM 0 HG21 ILE A 48 8.582 -5.455 -15.194 1.00 21.14 H new ATOM 0 HG22 ILE A 48 6.966 -5.693 -14.488 1.00 21.14 H new ATOM 0 HG23 ILE A 48 7.538 -4.052 -14.868 1.00 21.14 H new ATOM 0 HD11 ILE A 48 11.825 -4.176 -13.192 1.00 3.23 H new ATOM 0 HD12 ILE A 48 11.031 -5.493 -12.297 1.00 3.23 H new ATOM 0 HD13 ILE A 48 10.989 -5.474 -14.076 1.00 3.23 H new ATOM 818 N LEU A 49 5.868 -6.127 -11.554 1.00 43.14 N ATOM 819 CA LEU A 49 4.641 -6.912 -11.631 1.00 61.03 C ATOM 820 C LEU A 49 3.430 -6.069 -11.246 1.00 0.32 C ATOM 821 O LEU A 49 2.300 -6.378 -11.622 1.00 44.35 O ATOM 822 CB LEU A 49 4.737 -8.135 -10.718 1.00 31.23 C ATOM 823 CG LEU A 49 6.037 -8.936 -10.802 1.00 11.32 C ATOM 824 CD1 LEU A 49 5.829 -10.348 -10.278 1.00 30.13 C ATOM 825 CD2 LEU A 49 6.553 -8.967 -12.233 1.00 55.42 C ATOM 0 H LEU A 49 6.541 -6.463 -10.865 1.00 43.14 H new ATOM 0 HA LEU A 49 4.516 -7.245 -12.661 1.00 61.03 H new ATOM 0 HB2 LEU A 49 4.603 -7.806 -9.688 1.00 31.23 H new ATOM 0 HB3 LEU A 49 3.907 -8.802 -10.950 1.00 31.23 H new ATOM 0 HG LEU A 49 6.784 -8.445 -10.178 1.00 11.32 H new ATOM 0 HD11 LEU A 49 6.765 -10.903 -10.346 1.00 30.13 H new ATOM 0 HD12 LEU A 49 5.506 -10.306 -9.238 1.00 30.13 H new ATOM 0 HD13 LEU A 49 5.066 -10.849 -10.874 1.00 30.13 H new ATOM 0 HD21 LEU A 49 7.479 -9.541 -12.274 1.00 55.42 H new ATOM 0 HD22 LEU A 49 5.808 -9.433 -12.878 1.00 55.42 H new ATOM 0 HD23 LEU A 49 6.742 -7.949 -12.574 1.00 55.42 H new ATOM 837 N GLY A 50 3.675 -5.000 -10.494 1.00 14.15 N ATOM 838 CA GLY A 50 2.595 -4.127 -10.071 1.00 73.14 C ATOM 839 C GLY A 50 2.558 -2.830 -10.855 1.00 13.01 C ATOM 840 O GLY A 50 1.484 -2.307 -11.155 1.00 61.31 O ATOM 0 H GLY A 50 4.602 -4.723 -10.170 1.00 14.15 H new ATOM 0 HA2 GLY A 50 1.644 -4.647 -10.189 1.00 73.14 H new ATOM 0 HA3 GLY A 50 2.707 -3.904 -9.010 1.00 73.14 H new ATOM 844 N LYS A 51 3.733 -2.307 -11.186 1.00 63.13 N ATOM 845 CA LYS A 51 3.833 -1.062 -11.939 1.00 73.54 C ATOM 846 C LYS A 51 2.993 -1.128 -13.211 1.00 42.42 C ATOM 847 O LYS A 51 2.497 -2.190 -13.587 1.00 64.41 O ATOM 848 CB LYS A 51 5.293 -0.772 -12.294 1.00 31.02 C ATOM 849 CG LYS A 51 5.791 0.565 -11.772 1.00 60.33 C ATOM 850 CD LYS A 51 5.603 0.682 -10.269 1.00 23.20 C ATOM 851 CE LYS A 51 4.562 1.733 -9.918 1.00 34.15 C ATOM 852 NZ LYS A 51 5.146 3.102 -9.881 1.00 52.21 N ATOM 0 H LYS A 51 4.631 -2.726 -10.944 1.00 63.13 H new ATOM 0 HA LYS A 51 3.451 -0.256 -11.313 1.00 73.54 H new ATOM 0 HB2 LYS A 51 5.921 -1.567 -11.891 1.00 31.02 H new ATOM 0 HB3 LYS A 51 5.406 -0.795 -13.378 1.00 31.02 H new ATOM 0 HG2 LYS A 51 6.846 0.682 -12.018 1.00 60.33 H new ATOM 0 HG3 LYS A 51 5.256 1.373 -12.270 1.00 60.33 H new ATOM 0 HD2 LYS A 51 5.299 -0.283 -9.863 1.00 23.20 H new ATOM 0 HD3 LYS A 51 6.553 0.939 -9.801 1.00 23.20 H new ATOM 0 HE2 LYS A 51 3.754 1.702 -10.649 1.00 34.15 H new ATOM 0 HE3 LYS A 51 4.123 1.499 -8.948 1.00 34.15 H new ATOM 0 HZ1 LYS A 51 4.401 3.791 -9.655 1.00 52.21 H new ATOM 0 HZ2 LYS A 51 5.888 3.143 -9.154 1.00 52.21 H new ATOM 0 HZ3 LYS A 51 5.558 3.329 -10.809 1.00 52.21 H new ATOM 866 N THR A 52 2.838 0.016 -13.872 1.00 21.31 N ATOM 867 CA THR A 52 2.059 0.088 -15.102 1.00 2.24 C ATOM 868 C THR A 52 2.966 0.211 -16.321 1.00 3.04 C ATOM 869 O THR A 52 4.130 0.592 -16.204 1.00 22.32 O ATOM 870 CB THR A 52 1.084 1.280 -15.079 1.00 50.43 C ATOM 871 OG1 THR A 52 1.218 2.000 -13.849 1.00 3.22 O ATOM 872 CG2 THR A 52 -0.353 0.807 -15.242 1.00 3.42 C ATOM 0 H THR A 52 3.242 0.905 -13.576 1.00 21.31 H new ATOM 0 HA THR A 52 1.488 -0.838 -15.170 1.00 2.24 H new ATOM 0 HB THR A 52 1.330 1.938 -15.912 1.00 50.43 H new ATOM 0 HG1 THR A 52 0.596 2.757 -13.844 1.00 3.22 H new ATOM 0 HG21 THR A 52 -1.023 1.666 -15.223 1.00 3.42 H new ATOM 0 HG22 THR A 52 -0.459 0.286 -16.193 1.00 3.42 H new ATOM 0 HG23 THR A 52 -0.608 0.130 -14.427 1.00 3.42 H new ATOM 880 N ASN A 53 2.425 -0.113 -17.490 1.00 71.33 N ATOM 881 CA ASN A 53 3.187 -0.039 -18.732 1.00 15.12 C ATOM 882 C ASN A 53 3.760 1.360 -18.935 1.00 53.33 C ATOM 883 O ASN A 53 4.768 1.537 -19.620 1.00 55.21 O ATOM 884 CB ASN A 53 2.301 -0.417 -19.921 1.00 23.50 C ATOM 885 CG ASN A 53 1.511 -1.687 -19.672 1.00 72.51 C ATOM 886 OD1 ASN A 53 2.056 -2.692 -19.215 1.00 4.10 O ATOM 887 ND2 ASN A 53 0.218 -1.648 -19.973 1.00 30.00 N ATOM 0 H ASN A 53 1.462 -0.429 -17.604 1.00 71.33 H new ATOM 0 HA ASN A 53 4.014 -0.745 -18.665 1.00 15.12 H new ATOM 0 HB2 ASN A 53 1.612 0.401 -20.132 1.00 23.50 H new ATOM 0 HB3 ASN A 53 2.922 -0.547 -20.807 1.00 23.50 H new ATOM 0 HD21 ASN A 53 -0.365 -2.472 -19.827 1.00 30.00 H new ATOM 0 HD22 ASN A 53 -0.192 -0.794 -20.350 1.00 30.00 H new ATOM 894 N LYS A 54 3.111 2.352 -18.335 1.00 51.53 N ATOM 895 CA LYS A 54 3.556 3.737 -18.448 1.00 35.52 C ATOM 896 C LYS A 54 4.778 3.988 -17.570 1.00 54.54 C ATOM 897 O LYS A 54 5.683 4.730 -17.951 1.00 12.21 O ATOM 898 CB LYS A 54 2.426 4.690 -18.053 1.00 53.41 C ATOM 899 CG LYS A 54 1.084 4.331 -18.668 1.00 10.43 C ATOM 900 CD LYS A 54 0.157 5.534 -18.724 1.00 72.11 C ATOM 901 CE LYS A 54 -0.411 5.864 -17.352 1.00 54.34 C ATOM 902 NZ LYS A 54 -1.743 6.524 -17.448 1.00 32.32 N ATOM 0 H LYS A 54 2.275 2.223 -17.765 1.00 51.53 H new ATOM 0 HA LYS A 54 3.832 3.921 -19.486 1.00 35.52 H new ATOM 0 HB2 LYS A 54 2.329 4.695 -16.967 1.00 53.41 H new ATOM 0 HB3 LYS A 54 2.695 5.703 -18.353 1.00 53.41 H new ATOM 0 HG2 LYS A 54 1.237 3.941 -19.674 1.00 10.43 H new ATOM 0 HG3 LYS A 54 0.617 3.537 -18.086 1.00 10.43 H new ATOM 0 HD2 LYS A 54 0.701 6.396 -19.111 1.00 72.11 H new ATOM 0 HD3 LYS A 54 -0.659 5.334 -19.418 1.00 72.11 H new ATOM 0 HE2 LYS A 54 -0.500 4.949 -16.766 1.00 54.34 H new ATOM 0 HE3 LYS A 54 0.281 6.517 -16.820 1.00 54.34 H new ATOM 0 HZ1 LYS A 54 -2.097 6.733 -16.493 1.00 32.32 H new ATOM 0 HZ2 LYS A 54 -1.654 7.410 -17.985 1.00 32.32 H new ATOM 0 HZ3 LYS A 54 -2.410 5.891 -17.933 1.00 32.32 H new ATOM 916 N GLN A 55 4.796 3.365 -16.397 1.00 3.34 N ATOM 917 CA GLN A 55 5.908 3.522 -15.467 1.00 3.44 C ATOM 918 C GLN A 55 7.062 2.595 -15.835 1.00 54.14 C ATOM 919 O GLN A 55 8.227 2.909 -15.590 1.00 62.31 O ATOM 920 CB GLN A 55 5.448 3.239 -14.036 1.00 31.13 C ATOM 921 CG GLN A 55 4.739 4.413 -13.381 1.00 5.55 C ATOM 922 CD GLN A 55 5.691 5.323 -12.628 1.00 33.32 C ATOM 923 OE1 GLN A 55 6.889 5.053 -12.543 1.00 21.33 O ATOM 924 NE2 GLN A 55 5.161 6.408 -12.077 1.00 12.35 N ATOM 0 H GLN A 55 4.054 2.747 -16.068 1.00 3.34 H new ATOM 0 HA GLN A 55 6.259 4.552 -15.532 1.00 3.44 H new ATOM 0 HB2 GLN A 55 4.779 2.379 -14.042 1.00 31.13 H new ATOM 0 HB3 GLN A 55 6.313 2.965 -13.432 1.00 31.13 H new ATOM 0 HG2 GLN A 55 4.218 4.990 -14.145 1.00 5.55 H new ATOM 0 HG3 GLN A 55 3.981 4.037 -12.694 1.00 5.55 H new ATOM 0 HE21 GLN A 55 4.162 6.593 -12.173 1.00 12.35 H new ATOM 0 HE22 GLN A 55 5.752 7.057 -11.558 1.00 12.35 H new ATOM 933 N LEU A 56 6.729 1.452 -16.426 1.00 5.25 N ATOM 934 CA LEU A 56 7.738 0.478 -16.828 1.00 72.14 C ATOM 935 C LEU A 56 8.832 1.139 -17.661 1.00 33.01 C ATOM 936 O LEU A 56 8.549 1.916 -18.574 1.00 22.40 O ATOM 937 CB LEU A 56 7.090 -0.656 -17.625 1.00 21.11 C ATOM 938 CG LEU A 56 8.030 -1.479 -18.507 1.00 10.12 C ATOM 939 CD1 LEU A 56 7.612 -2.941 -18.514 1.00 21.14 C ATOM 940 CD2 LEU A 56 8.055 -0.923 -19.923 1.00 42.12 C ATOM 0 H LEU A 56 5.770 1.178 -16.637 1.00 5.25 H new ATOM 0 HA LEU A 56 8.192 0.068 -15.926 1.00 72.14 H new ATOM 0 HB2 LEU A 56 6.598 -1.331 -16.924 1.00 21.11 H new ATOM 0 HB3 LEU A 56 6.311 -0.230 -18.257 1.00 21.11 H new ATOM 0 HG LEU A 56 9.036 -1.412 -18.094 1.00 10.12 H new ATOM 0 HD11 LEU A 56 8.292 -3.511 -19.147 1.00 21.14 H new ATOM 0 HD12 LEU A 56 7.646 -3.334 -17.498 1.00 21.14 H new ATOM 0 HD13 LEU A 56 6.597 -3.027 -18.902 1.00 21.14 H new ATOM 0 HD21 LEU A 56 8.729 -1.521 -20.537 1.00 42.12 H new ATOM 0 HD22 LEU A 56 7.051 -0.959 -20.346 1.00 42.12 H new ATOM 0 HD23 LEU A 56 8.403 0.110 -19.902 1.00 42.12 H new ATOM 952 N THR A 57 10.083 0.824 -17.341 1.00 43.42 N ATOM 953 CA THR A 57 11.220 1.386 -18.060 1.00 10.44 C ATOM 954 C THR A 57 11.979 0.305 -18.820 1.00 50.12 C ATOM 955 O THR A 57 11.668 -0.881 -18.708 1.00 14.31 O ATOM 956 CB THR A 57 12.191 2.103 -17.102 1.00 62.43 C ATOM 957 OG1 THR A 57 13.162 2.842 -17.852 1.00 21.52 O ATOM 958 CG2 THR A 57 12.895 1.102 -16.198 1.00 2.53 C ATOM 0 H THR A 57 10.335 0.183 -16.589 1.00 43.42 H new ATOM 0 HA THR A 57 10.819 2.110 -18.769 1.00 10.44 H new ATOM 0 HB THR A 57 11.615 2.788 -16.480 1.00 62.43 H new ATOM 0 HG1 THR A 57 12.725 3.280 -18.612 1.00 21.52 H new ATOM 0 HG21 THR A 57 13.575 1.631 -15.530 1.00 2.53 H new ATOM 0 HG22 THR A 57 12.155 0.561 -15.608 1.00 2.53 H new ATOM 0 HG23 THR A 57 13.460 0.396 -16.807 1.00 2.53 H new ATOM 966 N ARG A 58 12.976 0.722 -19.594 1.00 24.55 N ATOM 967 CA ARG A 58 13.780 -0.212 -20.373 1.00 73.42 C ATOM 968 C ARG A 58 14.345 -1.317 -19.485 1.00 11.33 C ATOM 969 O ARG A 58 14.236 -2.501 -19.803 1.00 54.45 O ATOM 970 CB ARG A 58 14.921 0.526 -21.075 1.00 73.04 C ATOM 971 CG ARG A 58 15.638 -0.314 -22.120 1.00 53.40 C ATOM 972 CD ARG A 58 16.176 0.547 -23.253 1.00 33.33 C ATOM 973 NE ARG A 58 15.103 1.136 -24.050 1.00 20.24 N ATOM 974 CZ ARG A 58 15.280 1.629 -25.270 1.00 61.44 C ATOM 975 NH1 ARG A 58 16.481 1.603 -25.832 1.00 30.43 N ATOM 976 NH2 ARG A 58 14.254 2.148 -25.933 1.00 3.34 N ATOM 0 H ARG A 58 13.246 1.700 -19.698 1.00 24.55 H new ATOM 0 HA ARG A 58 13.135 -0.668 -21.124 1.00 73.42 H new ATOM 0 HB2 ARG A 58 14.524 1.422 -21.552 1.00 73.04 H new ATOM 0 HB3 ARG A 58 15.643 0.856 -20.328 1.00 73.04 H new ATOM 0 HG2 ARG A 58 16.460 -0.856 -21.652 1.00 53.40 H new ATOM 0 HG3 ARG A 58 14.952 -1.060 -22.522 1.00 53.40 H new ATOM 0 HD2 ARG A 58 16.799 1.341 -22.841 1.00 33.33 H new ATOM 0 HD3 ARG A 58 16.815 -0.058 -23.896 1.00 33.33 H new ATOM 0 HE ARG A 58 14.167 1.170 -23.647 1.00 20.24 H new ATOM 0 HH11 ARG A 58 17.272 1.203 -25.327 1.00 30.43 H new ATOM 0 HH12 ARG A 58 16.614 1.983 -26.769 1.00 30.43 H new ATOM 0 HH21 ARG A 58 13.328 2.168 -25.505 1.00 3.34 H new ATOM 0 HH22 ARG A 58 14.391 2.526 -26.870 1.00 3.34 H new ATOM 990 N SER A 59 14.950 -0.920 -18.369 1.00 74.43 N ATOM 991 CA SER A 59 15.536 -1.876 -17.437 1.00 11.12 C ATOM 992 C SER A 59 14.521 -2.945 -17.044 1.00 15.30 C ATOM 993 O SER A 59 14.877 -4.100 -16.813 1.00 60.31 O ATOM 994 CB SER A 59 16.044 -1.155 -16.187 1.00 13.33 C ATOM 995 OG SER A 59 17.150 -0.323 -16.492 1.00 31.24 O ATOM 0 H SER A 59 15.047 0.056 -18.089 1.00 74.43 H new ATOM 0 HA SER A 59 16.375 -2.363 -17.934 1.00 11.12 H new ATOM 0 HB2 SER A 59 15.241 -0.555 -15.758 1.00 13.33 H new ATOM 0 HB3 SER A 59 16.333 -1.887 -15.433 1.00 13.33 H new ATOM 0 HG SER A 59 17.455 0.128 -15.677 1.00 31.24 H new ATOM 1001 N ASP A 60 13.254 -2.550 -16.970 1.00 43.13 N ATOM 1002 CA ASP A 60 12.186 -3.473 -16.607 1.00 35.05 C ATOM 1003 C ASP A 60 11.878 -4.428 -17.755 1.00 63.54 C ATOM 1004 O ASP A 60 11.495 -5.577 -17.535 1.00 21.44 O ATOM 1005 CB ASP A 60 10.924 -2.699 -16.219 1.00 63.41 C ATOM 1006 CG ASP A 60 11.164 -1.740 -15.069 1.00 74.45 C ATOM 1007 OD1 ASP A 60 12.197 -1.884 -14.383 1.00 52.32 O ATOM 1008 OD2 ASP A 60 10.317 -0.847 -14.856 1.00 23.15 O ATOM 0 H ASP A 60 12.942 -1.597 -17.157 1.00 43.13 H new ATOM 0 HA ASP A 60 12.522 -4.059 -15.751 1.00 35.05 H new ATOM 0 HB2 ASP A 60 10.563 -2.142 -17.083 1.00 63.41 H new ATOM 0 HB3 ASP A 60 10.139 -3.404 -15.943 1.00 63.41 H new ATOM 1013 N ARG A 61 12.048 -3.945 -18.982 1.00 22.23 N ATOM 1014 CA ARG A 61 11.787 -4.756 -20.165 1.00 51.52 C ATOM 1015 C ARG A 61 12.910 -5.763 -20.393 1.00 50.02 C ATOM 1016 O ARG A 61 12.660 -6.919 -20.734 1.00 12.51 O ATOM 1017 CB ARG A 61 11.631 -3.862 -21.397 1.00 40.10 C ATOM 1018 CG ARG A 61 10.363 -4.133 -22.190 1.00 20.31 C ATOM 1019 CD ARG A 61 9.688 -2.841 -22.621 1.00 44.44 C ATOM 1020 NE ARG A 61 8.600 -3.080 -23.566 1.00 5.21 N ATOM 1021 CZ ARG A 61 7.814 -2.120 -24.039 1.00 53.22 C ATOM 1022 NH1 ARG A 61 7.994 -0.863 -23.658 1.00 53.42 N ATOM 1023 NH2 ARG A 61 6.845 -2.416 -24.896 1.00 32.41 N ATOM 0 H ARG A 61 12.365 -2.996 -19.182 1.00 22.23 H new ATOM 0 HA ARG A 61 10.859 -5.304 -20.002 1.00 51.52 H new ATOM 0 HB2 ARG A 61 11.636 -2.819 -21.081 1.00 40.10 H new ATOM 0 HB3 ARG A 61 12.494 -4.002 -22.048 1.00 40.10 H new ATOM 0 HG2 ARG A 61 10.604 -4.730 -23.070 1.00 20.31 H new ATOM 0 HG3 ARG A 61 9.673 -4.721 -21.585 1.00 20.31 H new ATOM 0 HD2 ARG A 61 9.299 -2.325 -21.743 1.00 44.44 H new ATOM 0 HD3 ARG A 61 10.426 -2.181 -23.077 1.00 44.44 H new ATOM 0 HE ARG A 61 8.435 -4.036 -23.880 1.00 5.21 H new ATOM 0 HH11 ARG A 61 8.738 -0.631 -23.000 1.00 53.42 H new ATOM 0 HH12 ARG A 61 7.389 -0.128 -24.023 1.00 53.42 H new ATOM 0 HH21 ARG A 61 6.703 -3.382 -25.192 1.00 32.41 H new ATOM 0 HH22 ARG A 61 6.242 -1.678 -25.259 1.00 32.41 H new ATOM 1037 N GLU A 62 14.147 -5.315 -20.203 1.00 62.30 N ATOM 1038 CA GLU A 62 15.308 -6.178 -20.390 1.00 0.05 C ATOM 1039 C GLU A 62 15.333 -7.290 -19.344 1.00 43.35 C ATOM 1040 O GLU A 62 15.720 -8.422 -19.635 1.00 55.23 O ATOM 1041 CB GLU A 62 16.598 -5.359 -20.310 1.00 50.20 C ATOM 1042 CG GLU A 62 17.114 -5.173 -18.893 1.00 45.22 C ATOM 1043 CD GLU A 62 17.959 -6.341 -18.422 1.00 34.01 C ATOM 1044 OE1 GLU A 62 18.128 -7.302 -19.201 1.00 72.31 O ATOM 1045 OE2 GLU A 62 18.449 -6.294 -17.275 1.00 23.53 O ATOM 0 H GLU A 62 14.371 -4.361 -19.920 1.00 62.30 H new ATOM 0 HA GLU A 62 15.236 -6.633 -21.378 1.00 0.05 H new ATOM 0 HB2 GLU A 62 17.367 -5.849 -20.906 1.00 50.20 H new ATOM 0 HB3 GLU A 62 16.425 -4.380 -20.756 1.00 50.20 H new ATOM 0 HG2 GLU A 62 17.705 -4.258 -18.843 1.00 45.22 H new ATOM 0 HG3 GLU A 62 16.269 -5.044 -18.217 1.00 45.22 H new ATOM 1052 N VAL A 63 14.919 -6.958 -18.126 1.00 1.32 N ATOM 1053 CA VAL A 63 14.893 -7.927 -17.037 1.00 3.23 C ATOM 1054 C VAL A 63 13.750 -8.920 -17.212 1.00 62.21 C ATOM 1055 O VAL A 63 13.898 -10.110 -16.929 1.00 51.20 O ATOM 1056 CB VAL A 63 14.749 -7.231 -15.670 1.00 24.41 C ATOM 1057 CG1 VAL A 63 15.946 -6.333 -15.399 1.00 44.22 C ATOM 1058 CG2 VAL A 63 13.453 -6.438 -15.610 1.00 34.40 C ATOM 0 H VAL A 63 14.597 -6.025 -17.868 1.00 1.32 H new ATOM 0 HA VAL A 63 15.842 -8.462 -17.066 1.00 3.23 H new ATOM 0 HB VAL A 63 14.716 -7.996 -14.894 1.00 24.41 H new ATOM 0 HG11 VAL A 63 15.826 -5.850 -14.429 1.00 44.22 H new ATOM 0 HG12 VAL A 63 16.857 -6.932 -15.396 1.00 44.22 H new ATOM 0 HG13 VAL A 63 16.014 -5.573 -16.177 1.00 44.22 H new ATOM 0 HG21 VAL A 63 13.368 -5.953 -14.638 1.00 34.40 H new ATOM 0 HG22 VAL A 63 13.453 -5.681 -16.394 1.00 34.40 H new ATOM 0 HG23 VAL A 63 12.608 -7.111 -15.755 1.00 34.40 H new ATOM 1068 N LEU A 64 12.610 -8.425 -17.681 1.00 2.10 N ATOM 1069 CA LEU A 64 11.440 -9.269 -17.895 1.00 60.24 C ATOM 1070 C LEU A 64 11.730 -10.348 -18.934 1.00 20.45 C ATOM 1071 O LEU A 64 11.430 -11.524 -18.722 1.00 54.55 O ATOM 1072 CB LEU A 64 10.249 -8.420 -18.345 1.00 25.25 C ATOM 1073 CG LEU A 64 9.052 -8.387 -17.394 1.00 70.43 C ATOM 1074 CD1 LEU A 64 9.513 -8.166 -15.962 1.00 30.20 C ATOM 1075 CD2 LEU A 64 8.068 -7.304 -17.813 1.00 63.41 C ATOM 0 H LEU A 64 12.471 -7.443 -17.920 1.00 2.10 H new ATOM 0 HA LEU A 64 11.196 -9.755 -16.950 1.00 60.24 H new ATOM 0 HB2 LEU A 64 10.594 -7.398 -18.498 1.00 25.25 H new ATOM 0 HB3 LEU A 64 9.909 -8.790 -19.312 1.00 25.25 H new ATOM 0 HG LEU A 64 8.545 -9.351 -17.445 1.00 70.43 H new ATOM 0 HD11 LEU A 64 8.647 -8.145 -15.300 1.00 30.20 H new ATOM 0 HD12 LEU A 64 10.178 -8.977 -15.665 1.00 30.20 H new ATOM 0 HD13 LEU A 64 10.045 -7.217 -15.893 1.00 30.20 H new ATOM 0 HD21 LEU A 64 7.222 -7.295 -17.125 1.00 63.41 H new ATOM 0 HD22 LEU A 64 8.564 -6.334 -17.791 1.00 63.41 H new ATOM 0 HD23 LEU A 64 7.712 -7.507 -18.823 1.00 63.41 H new ATOM 1087 N ASP A 65 12.317 -9.942 -20.054 1.00 3.15 N ATOM 1088 CA ASP A 65 12.651 -10.875 -21.124 1.00 5.53 C ATOM 1089 C ASP A 65 13.737 -11.848 -20.677 1.00 24.24 C ATOM 1090 O ASP A 65 13.754 -13.007 -21.090 1.00 44.41 O ATOM 1091 CB ASP A 65 13.113 -10.113 -22.367 1.00 55.14 C ATOM 1092 CG ASP A 65 12.354 -10.526 -23.613 1.00 51.43 C ATOM 1093 OD1 ASP A 65 12.636 -11.620 -24.145 1.00 32.21 O ATOM 1094 OD2 ASP A 65 11.478 -9.755 -24.056 1.00 55.55 O ATOM 0 H ASP A 65 12.572 -8.973 -20.245 1.00 3.15 H new ATOM 0 HA ASP A 65 11.755 -11.446 -21.368 1.00 5.53 H new ATOM 0 HB2 ASP A 65 12.983 -9.043 -22.203 1.00 55.14 H new ATOM 0 HB3 ASP A 65 14.178 -10.285 -22.520 1.00 55.14 H new ATOM 1099 N ASN A 66 14.643 -11.369 -19.830 1.00 40.32 N ATOM 1100 CA ASN A 66 15.734 -12.196 -19.328 1.00 72.42 C ATOM 1101 C ASN A 66 15.226 -13.196 -18.293 1.00 44.12 C ATOM 1102 O ASN A 66 15.648 -14.352 -18.274 1.00 33.32 O ATOM 1103 CB ASN A 66 16.826 -11.319 -18.714 1.00 23.14 C ATOM 1104 CG ASN A 66 18.023 -12.127 -18.249 1.00 11.53 C ATOM 1105 OD1 ASN A 66 18.481 -13.034 -18.943 1.00 42.11 O ATOM 1106 ND2 ASN A 66 18.535 -11.799 -17.068 1.00 34.22 N ATOM 0 H ASN A 66 14.643 -10.412 -19.477 1.00 40.32 H new ATOM 0 HA ASN A 66 16.153 -12.750 -20.168 1.00 72.42 H new ATOM 0 HB2 ASN A 66 17.152 -10.582 -19.448 1.00 23.14 H new ATOM 0 HB3 ASN A 66 16.413 -10.767 -17.869 1.00 23.14 H new ATOM 0 HD21 ASN A 66 19.341 -12.307 -16.703 1.00 34.22 H new ATOM 0 HD22 ASN A 66 18.122 -11.039 -16.527 1.00 34.22 H new ATOM 1113 N TRP A 67 14.320 -12.742 -17.436 1.00 14.23 N ATOM 1114 CA TRP A 67 13.754 -13.596 -16.398 1.00 31.41 C ATOM 1115 C TRP A 67 13.000 -14.771 -17.011 1.00 61.32 C ATOM 1116 O TRP A 67 13.190 -15.920 -16.610 1.00 41.33 O ATOM 1117 CB TRP A 67 12.818 -12.789 -15.497 1.00 44.51 C ATOM 1118 CG TRP A 67 13.543 -11.883 -14.547 1.00 62.45 C ATOM 1119 CD1 TRP A 67 14.745 -12.122 -13.944 1.00 33.04 C ATOM 1120 CD2 TRP A 67 13.111 -10.597 -14.092 1.00 5.41 C ATOM 1121 NE1 TRP A 67 15.086 -11.061 -13.140 1.00 12.01 N ATOM 1122 CE2 TRP A 67 14.101 -10.112 -13.214 1.00 51.12 C ATOM 1123 CE3 TRP A 67 11.987 -9.806 -14.342 1.00 13.25 C ATOM 1124 CZ2 TRP A 67 13.996 -8.874 -12.586 1.00 45.42 C ATOM 1125 CZ3 TRP A 67 11.884 -8.577 -13.717 1.00 64.22 C ATOM 1126 CH2 TRP A 67 12.885 -8.120 -12.849 1.00 34.44 C ATOM 0 H TRP A 67 13.961 -11.787 -17.439 1.00 14.23 H new ATOM 0 HA TRP A 67 14.575 -13.988 -15.798 1.00 31.41 H new ATOM 0 HB2 TRP A 67 12.151 -12.192 -16.119 1.00 44.51 H new ATOM 0 HB3 TRP A 67 12.192 -13.476 -14.927 1.00 44.51 H new ATOM 0 HD1 TRP A 67 15.340 -13.013 -14.079 1.00 33.04 H new ATOM 0 HE1 TRP A 67 15.935 -10.991 -12.579 1.00 12.01 H new ATOM 0 HE3 TRP A 67 11.212 -10.148 -15.012 1.00 13.25 H new ATOM 0 HZ2 TRP A 67 14.765 -8.521 -11.915 1.00 45.42 H new ATOM 0 HZ3 TRP A 67 11.018 -7.959 -13.901 1.00 64.22 H new ATOM 0 HH2 TRP A 67 12.777 -7.154 -12.379 1.00 34.44 H new ATOM 1137 N ARG A 68 12.145 -14.477 -17.985 1.00 11.31 N ATOM 1138 CA ARG A 68 11.362 -15.510 -18.652 1.00 50.45 C ATOM 1139 C ARG A 68 12.237 -16.331 -19.595 1.00 53.44 C ATOM 1140 O ARG A 68 11.918 -17.476 -19.912 1.00 62.14 O ATOM 1141 CB ARG A 68 10.206 -14.880 -19.431 1.00 53.42 C ATOM 1142 CG ARG A 68 9.322 -13.977 -18.585 1.00 70.35 C ATOM 1143 CD ARG A 68 8.961 -12.699 -19.326 1.00 11.15 C ATOM 1144 NE ARG A 68 7.567 -12.694 -19.762 1.00 63.33 N ATOM 1145 CZ ARG A 68 6.542 -12.479 -18.946 1.00 31.44 C ATOM 1146 NH1 ARG A 68 6.753 -12.252 -17.657 1.00 21.35 N ATOM 1147 NH2 ARG A 68 5.302 -12.491 -19.418 1.00 41.22 N ATOM 0 H ARG A 68 11.977 -13.532 -18.330 1.00 11.31 H new ATOM 0 HA ARG A 68 10.957 -16.174 -17.888 1.00 50.45 H new ATOM 0 HB2 ARG A 68 10.611 -14.303 -20.262 1.00 53.42 H new ATOM 0 HB3 ARG A 68 9.594 -15.673 -19.862 1.00 53.42 H new ATOM 0 HG2 ARG A 68 8.411 -14.510 -18.311 1.00 70.35 H new ATOM 0 HG3 ARG A 68 9.837 -13.728 -17.657 1.00 70.35 H new ATOM 0 HD2 ARG A 68 9.141 -11.841 -18.678 1.00 11.15 H new ATOM 0 HD3 ARG A 68 9.612 -12.586 -20.193 1.00 11.15 H new ATOM 0 HE ARG A 68 7.370 -12.865 -20.748 1.00 63.33 H new ATOM 0 HH11 ARG A 68 7.705 -12.242 -17.290 1.00 21.35 H new ATOM 0 HH12 ARG A 68 5.964 -12.087 -17.032 1.00 21.35 H new ATOM 0 HH21 ARG A 68 5.135 -12.666 -20.409 1.00 41.22 H new ATOM 0 HH22 ARG A 68 4.516 -12.326 -18.790 1.00 41.22 H new ATOM 1161 N GLU A 69 13.339 -15.736 -20.040 1.00 4.21 N ATOM 1162 CA GLU A 69 14.259 -16.412 -20.948 1.00 35.35 C ATOM 1163 C GLU A 69 14.990 -17.547 -20.236 1.00 15.04 C ATOM 1164 O GLU A 69 15.148 -18.639 -20.783 1.00 52.13 O ATOM 1165 CB GLU A 69 15.271 -15.417 -21.518 1.00 63.44 C ATOM 1166 CG GLU A 69 16.417 -16.077 -22.268 1.00 33.23 C ATOM 1167 CD GLU A 69 15.943 -16.902 -23.448 1.00 72.34 C ATOM 1168 OE1 GLU A 69 14.962 -16.491 -24.103 1.00 70.12 O ATOM 1169 OE2 GLU A 69 16.552 -17.959 -23.717 1.00 51.44 O ATOM 0 H GLU A 69 13.617 -14.788 -19.787 1.00 4.21 H new ATOM 0 HA GLU A 69 13.676 -16.835 -21.766 1.00 35.35 H new ATOM 0 HB2 GLU A 69 14.755 -14.731 -22.190 1.00 63.44 H new ATOM 0 HB3 GLU A 69 15.678 -14.818 -20.703 1.00 63.44 H new ATOM 0 HG2 GLU A 69 17.106 -15.309 -22.620 1.00 33.23 H new ATOM 0 HG3 GLU A 69 16.974 -16.716 -21.583 1.00 33.23 H new ATOM 1176 N LEU A 70 15.434 -17.281 -19.012 1.00 53.23 N ATOM 1177 CA LEU A 70 16.149 -18.278 -18.224 1.00 71.51 C ATOM 1178 C LEU A 70 15.185 -19.312 -17.650 1.00 1.11 C ATOM 1179 O LEU A 70 15.526 -20.487 -17.519 1.00 5.23 O ATOM 1180 CB LEU A 70 16.924 -17.603 -17.092 1.00 11.43 C ATOM 1181 CG LEU A 70 16.133 -16.616 -16.232 1.00 53.13 C ATOM 1182 CD1 LEU A 70 15.397 -17.347 -15.120 1.00 24.21 C ATOM 1183 CD2 LEU A 70 17.055 -15.552 -15.655 1.00 23.40 C ATOM 0 H LEU A 70 15.311 -16.383 -18.544 1.00 53.23 H new ATOM 0 HA LEU A 70 16.852 -18.789 -18.882 1.00 71.51 H new ATOM 0 HB2 LEU A 70 17.327 -18.379 -16.441 1.00 11.43 H new ATOM 0 HB3 LEU A 70 17.775 -17.076 -17.525 1.00 11.43 H new ATOM 0 HG LEU A 70 15.395 -16.123 -16.865 1.00 53.13 H new ATOM 0 HD11 LEU A 70 14.840 -16.628 -14.519 1.00 24.21 H new ATOM 0 HD12 LEU A 70 14.706 -18.069 -15.555 1.00 24.21 H new ATOM 0 HD13 LEU A 70 16.117 -17.868 -14.488 1.00 24.21 H new ATOM 0 HD21 LEU A 70 16.475 -14.859 -15.046 1.00 23.40 H new ATOM 0 HD22 LEU A 70 17.817 -16.027 -15.037 1.00 23.40 H new ATOM 0 HD23 LEU A 70 17.535 -15.007 -16.468 1.00 23.40 H new ATOM 1195 N GLU A 71 13.979 -18.866 -17.312 1.00 4.45 N ATOM 1196 CA GLU A 71 12.966 -19.753 -16.753 1.00 2.02 C ATOM 1197 C GLU A 71 12.378 -20.656 -17.833 1.00 65.24 C ATOM 1198 O GLU A 71 11.914 -21.760 -17.549 1.00 43.14 O ATOM 1199 CB GLU A 71 11.852 -18.939 -16.092 1.00 10.13 C ATOM 1200 CG GLU A 71 10.696 -18.619 -17.025 1.00 4.42 C ATOM 1201 CD GLU A 71 9.678 -17.689 -16.394 1.00 52.02 C ATOM 1202 OE1 GLU A 71 10.002 -17.064 -15.363 1.00 63.01 O ATOM 1203 OE2 GLU A 71 8.556 -17.587 -16.933 1.00 14.32 O ATOM 0 H GLU A 71 13.680 -17.896 -17.416 1.00 4.45 H new ATOM 0 HA GLU A 71 13.444 -20.380 -16.000 1.00 2.02 H new ATOM 0 HB2 GLU A 71 11.472 -19.491 -15.232 1.00 10.13 H new ATOM 0 HB3 GLU A 71 12.271 -18.007 -15.713 1.00 10.13 H new ATOM 0 HG2 GLU A 71 11.084 -18.163 -17.935 1.00 4.42 H new ATOM 0 HG3 GLU A 71 10.203 -19.546 -17.318 1.00 4.42 H new ATOM 1210 N MET A 72 12.402 -20.178 -19.073 1.00 61.12 N ATOM 1211 CA MET A 72 11.872 -20.942 -20.197 1.00 24.23 C ATOM 1212 C MET A 72 12.948 -21.840 -20.799 1.00 23.53 C ATOM 1213 O MET A 72 12.644 -22.847 -21.440 1.00 44.51 O ATOM 1214 CB MET A 72 11.321 -19.999 -21.268 1.00 31.23 C ATOM 1215 CG MET A 72 12.400 -19.341 -22.112 1.00 60.43 C ATOM 1216 SD MET A 72 11.721 -18.316 -23.431 1.00 63.32 S ATOM 1217 CE MET A 72 12.265 -19.222 -24.878 1.00 11.03 C ATOM 0 H MET A 72 12.783 -19.266 -19.325 1.00 61.12 H new ATOM 0 HA MET A 72 11.063 -21.572 -19.827 1.00 24.23 H new ATOM 0 HB2 MET A 72 10.650 -20.557 -21.921 1.00 31.23 H new ATOM 0 HB3 MET A 72 10.725 -19.224 -20.786 1.00 31.23 H new ATOM 0 HG2 MET A 72 13.034 -18.729 -21.471 1.00 60.43 H new ATOM 0 HG3 MET A 72 13.036 -20.112 -22.547 1.00 60.43 H new ATOM 0 HE1 MET A 72 11.921 -18.711 -25.778 1.00 11.03 H new ATOM 0 HE2 MET A 72 13.354 -19.277 -24.885 1.00 11.03 H new ATOM 0 HE3 MET A 72 11.851 -20.230 -24.853 1.00 11.03 H new ATOM 1227 N LYS A 73 14.207 -21.471 -20.588 1.00 41.24 N ATOM 1228 CA LYS A 73 15.329 -22.243 -21.109 1.00 50.01 C ATOM 1229 C LYS A 73 15.762 -23.313 -20.112 1.00 63.01 C ATOM 1230 O LYS A 73 16.537 -24.209 -20.446 1.00 43.44 O ATOM 1231 CB LYS A 73 16.507 -21.319 -21.426 1.00 61.22 C ATOM 1232 CG LYS A 73 17.381 -21.013 -20.222 1.00 51.42 C ATOM 1233 CD LYS A 73 18.416 -19.948 -20.541 1.00 45.54 C ATOM 1234 CE LYS A 73 19.545 -19.944 -19.521 1.00 53.44 C ATOM 1235 NZ LYS A 73 19.604 -18.662 -18.765 1.00 64.12 N ATOM 0 H LYS A 73 14.476 -20.641 -20.059 1.00 41.24 H new ATOM 0 HA LYS A 73 15.005 -22.735 -22.026 1.00 50.01 H new ATOM 0 HB2 LYS A 73 17.120 -21.778 -22.202 1.00 61.22 H new ATOM 0 HB3 LYS A 73 16.125 -20.383 -21.834 1.00 61.22 H new ATOM 0 HG2 LYS A 73 16.757 -20.678 -19.394 1.00 51.42 H new ATOM 0 HG3 LYS A 73 17.883 -21.923 -19.895 1.00 51.42 H new ATOM 0 HD2 LYS A 73 18.824 -20.123 -21.536 1.00 45.54 H new ATOM 0 HD3 LYS A 73 17.938 -18.969 -20.560 1.00 45.54 H new ATOM 0 HE2 LYS A 73 19.408 -20.771 -18.824 1.00 53.44 H new ATOM 0 HE3 LYS A 73 20.495 -20.110 -20.030 1.00 53.44 H new ATOM 0 HZ1 LYS A 73 20.591 -18.339 -18.706 1.00 64.12 H new ATOM 0 HZ2 LYS A 73 19.033 -17.944 -19.255 1.00 64.12 H new ATOM 0 HZ3 LYS A 73 19.229 -18.807 -17.806 1.00 64.12 H new ATOM 1249 N ALA A 74 15.256 -23.214 -18.887 1.00 71.14 N ATOM 1250 CA ALA A 74 15.588 -24.176 -17.843 1.00 41.44 C ATOM 1251 C ALA A 74 14.907 -25.517 -18.095 1.00 44.44 C ATOM 1252 O ALA A 74 15.068 -26.460 -17.321 1.00 65.33 O ATOM 1253 CB ALA A 74 15.195 -23.630 -16.479 1.00 14.13 C ATOM 0 H ALA A 74 14.615 -22.477 -18.593 1.00 71.14 H new ATOM 0 HA ALA A 74 16.666 -24.337 -17.861 1.00 41.44 H new ATOM 0 HB1 ALA A 74 15.448 -24.358 -15.709 1.00 14.13 H new ATOM 0 HB2 ALA A 74 15.732 -22.701 -16.291 1.00 14.13 H new ATOM 0 HB3 ALA A 74 14.122 -23.439 -16.459 1.00 14.13 H new ATOM 1259 N ARG A 75 14.146 -25.594 -19.182 1.00 0.41 N ATOM 1260 CA ARG A 75 13.439 -26.819 -19.534 1.00 61.13 C ATOM 1261 C ARG A 75 12.684 -27.376 -18.331 1.00 70.21 C ATOM 1262 O ARG A 75 12.867 -28.533 -17.950 1.00 43.42 O ATOM 1263 CB ARG A 75 14.422 -27.866 -20.063 1.00 13.23 C ATOM 1264 CG ARG A 75 15.213 -27.401 -21.274 1.00 62.43 C ATOM 1265 CD ARG A 75 16.066 -28.523 -21.846 1.00 31.20 C ATOM 1266 NE ARG A 75 16.885 -28.071 -22.967 1.00 61.03 N ATOM 1267 CZ ARG A 75 18.005 -27.372 -22.824 1.00 43.41 C ATOM 1268 NH1 ARG A 75 18.438 -27.047 -21.614 1.00 14.54 N ATOM 1269 NH2 ARG A 75 18.696 -26.996 -23.893 1.00 71.42 N ATOM 0 H ARG A 75 14.003 -24.822 -19.834 1.00 0.41 H new ATOM 0 HA ARG A 75 12.717 -26.581 -20.315 1.00 61.13 H new ATOM 0 HB2 ARG A 75 15.117 -28.135 -19.267 1.00 13.23 H new ATOM 0 HB3 ARG A 75 13.871 -28.770 -20.324 1.00 13.23 H new ATOM 0 HG2 ARG A 75 14.528 -27.037 -22.040 1.00 62.43 H new ATOM 0 HG3 ARG A 75 15.852 -26.564 -20.993 1.00 62.43 H new ATOM 0 HD2 ARG A 75 16.711 -28.923 -21.064 1.00 31.20 H new ATOM 0 HD3 ARG A 75 15.421 -29.338 -22.174 1.00 31.20 H new ATOM 0 HE ARG A 75 16.580 -28.305 -23.912 1.00 61.03 H new ATOM 0 HH11 ARG A 75 17.911 -27.334 -20.789 1.00 14.54 H new ATOM 0 HH12 ARG A 75 19.299 -26.510 -21.507 1.00 14.54 H new ATOM 0 HH21 ARG A 75 18.367 -27.244 -24.826 1.00 71.42 H new ATOM 0 HH22 ARG A 75 19.556 -26.459 -23.781 1.00 71.42 H new ATOM 1283 N LYS A 76 11.835 -26.546 -17.736 1.00 15.20 N ATOM 1284 CA LYS A 76 11.050 -26.954 -16.576 1.00 43.15 C ATOM 1285 C LYS A 76 10.156 -25.815 -16.096 1.00 64.20 C ATOM 1286 O LYS A 76 10.634 -24.716 -15.813 1.00 34.34 O ATOM 1287 CB LYS A 76 11.975 -27.404 -15.443 1.00 35.02 C ATOM 1288 CG LYS A 76 11.461 -28.615 -14.684 1.00 33.32 C ATOM 1289 CD LYS A 76 11.867 -29.912 -15.363 1.00 21.42 C ATOM 1290 CE LYS A 76 13.327 -30.247 -15.097 1.00 33.44 C ATOM 1291 NZ LYS A 76 13.529 -30.795 -13.727 1.00 2.13 N ATOM 0 H LYS A 76 11.672 -25.585 -18.038 1.00 15.20 H new ATOM 0 HA LYS A 76 10.415 -27.789 -16.872 1.00 43.15 H new ATOM 0 HB2 LYS A 76 12.957 -27.635 -15.856 1.00 35.02 H new ATOM 0 HB3 LYS A 76 12.109 -26.578 -14.745 1.00 35.02 H new ATOM 0 HG2 LYS A 76 11.850 -28.599 -13.666 1.00 33.32 H new ATOM 0 HG3 LYS A 76 10.375 -28.566 -14.611 1.00 33.32 H new ATOM 0 HD2 LYS A 76 11.235 -30.725 -15.005 1.00 21.42 H new ATOM 0 HD3 LYS A 76 11.701 -29.829 -16.437 1.00 21.42 H new ATOM 0 HE2 LYS A 76 13.673 -30.972 -15.833 1.00 33.44 H new ATOM 0 HE3 LYS A 76 13.934 -29.351 -15.223 1.00 33.44 H new ATOM 0 HZ1 LYS A 76 14.516 -31.105 -13.619 1.00 2.13 H new ATOM 0 HZ2 LYS A 76 13.319 -30.058 -13.024 1.00 2.13 H new ATOM 0 HZ3 LYS A 76 12.894 -31.605 -13.580 1.00 2.13 H new ATOM 1305 N ARG A 77 8.858 -26.086 -16.006 1.00 4.35 N ATOM 1306 CA ARG A 77 7.898 -25.083 -15.559 1.00 24.51 C ATOM 1307 C ARG A 77 7.891 -24.978 -14.037 1.00 31.24 C ATOM 1308 O ARG A 77 7.150 -25.691 -13.358 1.00 1.21 O ATOM 1309 CB ARG A 77 6.496 -25.429 -16.064 1.00 2.22 C ATOM 1310 CG ARG A 77 6.391 -25.485 -17.579 1.00 41.41 C ATOM 1311 CD ARG A 77 5.080 -26.115 -18.024 1.00 4.52 C ATOM 1312 NE ARG A 77 4.859 -25.962 -19.459 1.00 51.52 N ATOM 1313 CZ ARG A 77 3.828 -26.495 -20.105 1.00 31.43 C ATOM 1314 NH1 ARG A 77 2.929 -27.213 -19.446 1.00 15.12 N ATOM 1315 NH2 ARG A 77 3.695 -26.312 -21.412 1.00 52.50 N ATOM 0 H ARG A 77 8.447 -26.991 -16.236 1.00 4.35 H new ATOM 0 HA ARG A 77 8.198 -24.119 -15.971 1.00 24.51 H new ATOM 0 HB2 ARG A 77 6.198 -26.393 -15.652 1.00 2.22 H new ATOM 0 HB3 ARG A 77 5.790 -24.689 -15.686 1.00 2.22 H new ATOM 0 HG2 ARG A 77 6.469 -24.478 -17.988 1.00 41.41 H new ATOM 0 HG3 ARG A 77 7.226 -26.058 -17.982 1.00 41.41 H new ATOM 0 HD2 ARG A 77 5.082 -27.175 -17.768 1.00 4.52 H new ATOM 0 HD3 ARG A 77 4.254 -25.657 -17.479 1.00 4.52 H new ATOM 0 HE ARG A 77 5.533 -25.416 -19.995 1.00 51.52 H new ATOM 0 HH11 ARG A 77 3.028 -27.357 -18.441 1.00 15.12 H new ATOM 0 HH12 ARG A 77 2.138 -27.621 -19.944 1.00 15.12 H new ATOM 0 HH21 ARG A 77 4.385 -25.761 -21.923 1.00 52.50 H new ATOM 0 HH22 ARG A 77 2.903 -26.722 -21.906 1.00 52.50 H new ATOM 1329 N LEU A 78 8.720 -24.086 -13.507 1.00 11.24 N ATOM 1330 CA LEU A 78 8.810 -23.887 -12.064 1.00 74.01 C ATOM 1331 C LEU A 78 7.500 -23.336 -11.508 1.00 24.52 C ATOM 1332 O LEU A 78 6.756 -22.631 -12.189 1.00 73.41 O ATOM 1333 CB LEU A 78 9.959 -22.934 -11.731 1.00 61.23 C ATOM 1334 CG LEU A 78 11.343 -23.571 -11.602 1.00 61.44 C ATOM 1335 CD1 LEU A 78 11.572 -24.581 -12.717 1.00 10.24 C ATOM 1336 CD2 LEU A 78 12.426 -22.502 -11.618 1.00 30.30 C ATOM 0 H LEU A 78 9.340 -23.489 -14.054 1.00 11.24 H new ATOM 0 HA LEU A 78 9.003 -24.854 -11.600 1.00 74.01 H new ATOM 0 HB2 LEU A 78 10.005 -22.167 -12.505 1.00 61.23 H new ATOM 0 HB3 LEU A 78 9.725 -22.428 -10.794 1.00 61.23 H new ATOM 0 HG LEU A 78 11.393 -24.096 -10.648 1.00 61.44 H new ATOM 0 HD11 LEU A 78 12.562 -25.024 -12.609 1.00 10.24 H new ATOM 0 HD12 LEU A 78 10.816 -25.364 -12.660 1.00 10.24 H new ATOM 0 HD13 LEU A 78 11.502 -24.079 -13.682 1.00 10.24 H new ATOM 0 HD21 LEU A 78 13.404 -22.974 -11.525 1.00 30.30 H new ATOM 0 HD22 LEU A 78 12.377 -21.949 -12.556 1.00 30.30 H new ATOM 0 HD23 LEU A 78 12.273 -21.817 -10.784 1.00 30.30 H new ATOM 1348 N PRO A 79 7.212 -23.663 -10.239 1.00 64.12 N ATOM 1349 CA PRO A 79 5.994 -23.209 -9.562 1.00 71.51 C ATOM 1350 C PRO A 79 6.013 -21.712 -9.275 1.00 43.04 C ATOM 1351 O PRO A 79 5.051 -21.001 -9.565 1.00 55.22 O ATOM 1352 CB PRO A 79 5.998 -24.004 -8.254 1.00 62.50 C ATOM 1353 CG PRO A 79 7.432 -24.325 -8.010 1.00 45.20 C ATOM 1354 CD PRO A 79 8.054 -24.500 -9.368 1.00 5.22 C ATOM 0 HA PRO A 79 5.105 -23.370 -10.172 1.00 71.51 H new ATOM 0 HB2 PRO A 79 5.578 -23.420 -7.435 1.00 62.50 H new ATOM 0 HB3 PRO A 79 5.399 -24.910 -8.340 1.00 62.50 H new ATOM 0 HG2 PRO A 79 7.922 -23.524 -7.456 1.00 45.20 H new ATOM 0 HG3 PRO A 79 7.533 -25.232 -7.415 1.00 45.20 H new ATOM 0 HD2 PRO A 79 9.094 -24.173 -9.379 1.00 5.22 H new ATOM 0 HD3 PRO A 79 8.045 -25.544 -9.683 1.00 5.22 H new ATOM 1362 N THR A 80 7.116 -21.237 -8.704 1.00 62.53 N ATOM 1363 CA THR A 80 7.261 -19.824 -8.378 1.00 34.52 C ATOM 1364 C THR A 80 7.558 -19.000 -9.625 1.00 1.32 C ATOM 1365 O THR A 80 8.093 -19.512 -10.608 1.00 63.25 O ATOM 1366 CB THR A 80 8.382 -19.598 -7.347 1.00 1.14 C ATOM 1367 OG1 THR A 80 8.529 -20.758 -6.519 1.00 54.44 O ATOM 1368 CG2 THR A 80 8.083 -18.385 -6.479 1.00 52.43 C ATOM 0 H THR A 80 7.922 -21.811 -8.458 1.00 62.53 H new ATOM 0 HA THR A 80 6.313 -19.499 -7.949 1.00 34.52 H new ATOM 0 HB THR A 80 9.311 -19.418 -7.888 1.00 1.14 H new ATOM 0 HG1 THR A 80 9.356 -20.685 -5.998 1.00 54.44 H new ATOM 0 HG21 THR A 80 8.889 -18.246 -5.758 1.00 52.43 H new ATOM 0 HG22 THR A 80 8.001 -17.499 -7.108 1.00 52.43 H new ATOM 0 HG23 THR A 80 7.144 -18.540 -5.948 1.00 52.43 H new ATOM 1376 N THR A 81 7.209 -17.718 -9.578 1.00 54.22 N ATOM 1377 CA THR A 81 7.438 -16.822 -10.704 1.00 51.35 C ATOM 1378 C THR A 81 8.367 -15.677 -10.316 1.00 72.11 C ATOM 1379 O THR A 81 8.942 -15.011 -11.178 1.00 13.30 O ATOM 1380 CB THR A 81 6.115 -16.237 -11.235 1.00 45.14 C ATOM 1381 OG1 THR A 81 5.217 -17.296 -11.586 1.00 44.31 O ATOM 1382 CG2 THR A 81 6.363 -15.353 -12.448 1.00 41.42 C ATOM 0 H THR A 81 6.767 -17.277 -8.772 1.00 54.22 H new ATOM 0 HA THR A 81 7.906 -17.415 -11.490 1.00 51.35 H new ATOM 0 HB THR A 81 5.670 -15.630 -10.447 1.00 45.14 H new ATOM 0 HG1 THR A 81 4.378 -16.916 -11.921 1.00 44.31 H new ATOM 0 HG21 THR A 81 5.415 -14.951 -12.805 1.00 41.42 H new ATOM 0 HG22 THR A 81 7.024 -14.532 -12.171 1.00 41.42 H new ATOM 0 HG23 THR A 81 6.828 -15.942 -13.238 1.00 41.42 H new ATOM 1390 N LEU A 82 8.511 -15.454 -9.015 1.00 15.34 N ATOM 1391 CA LEU A 82 9.371 -14.389 -8.511 1.00 45.15 C ATOM 1392 C LEU A 82 10.710 -14.948 -8.040 1.00 41.11 C ATOM 1393 O LEU A 82 10.945 -15.097 -6.841 1.00 11.13 O ATOM 1394 CB LEU A 82 8.683 -13.648 -7.364 1.00 35.51 C ATOM 1395 CG LEU A 82 7.664 -12.582 -7.769 1.00 22.04 C ATOM 1396 CD1 LEU A 82 6.963 -12.020 -6.542 1.00 23.25 C ATOM 1397 CD2 LEU A 82 8.342 -11.469 -8.555 1.00 15.13 C ATOM 0 H LEU A 82 8.043 -15.997 -8.289 1.00 15.34 H new ATOM 0 HA LEU A 82 9.556 -13.690 -9.326 1.00 45.15 H new ATOM 0 HB2 LEU A 82 8.180 -14.382 -6.734 1.00 35.51 H new ATOM 0 HB3 LEU A 82 9.450 -13.174 -6.752 1.00 35.51 H new ATOM 0 HG LEU A 82 6.914 -13.047 -8.409 1.00 22.04 H new ATOM 0 HD11 LEU A 82 6.242 -11.263 -6.850 1.00 23.25 H new ATOM 0 HD12 LEU A 82 6.445 -12.824 -6.019 1.00 23.25 H new ATOM 0 HD13 LEU A 82 7.700 -11.570 -5.876 1.00 23.25 H new ATOM 0 HD21 LEU A 82 7.602 -10.719 -8.835 1.00 15.13 H new ATOM 0 HD22 LEU A 82 9.113 -11.006 -7.939 1.00 15.13 H new ATOM 0 HD23 LEU A 82 8.797 -11.884 -9.454 1.00 15.13 H new ATOM 1409 N PHE A 83 11.586 -15.254 -8.992 1.00 12.13 N ATOM 1410 CA PHE A 83 12.902 -15.795 -8.674 1.00 60.31 C ATOM 1411 C PHE A 83 13.978 -15.155 -9.546 1.00 23.10 C ATOM 1412 O PHE A 83 13.707 -14.223 -10.303 1.00 74.12 O ATOM 1413 CB PHE A 83 12.912 -17.313 -8.864 1.00 71.54 C ATOM 1414 CG PHE A 83 12.298 -17.759 -10.160 1.00 75.24 C ATOM 1415 CD1 PHE A 83 12.599 -17.108 -11.346 1.00 3.24 C ATOM 1416 CD2 PHE A 83 11.419 -18.830 -10.194 1.00 13.22 C ATOM 1417 CE1 PHE A 83 12.035 -17.516 -12.539 1.00 54.53 C ATOM 1418 CE2 PHE A 83 10.851 -19.242 -11.385 1.00 22.33 C ATOM 1419 CZ PHE A 83 11.160 -18.585 -12.559 1.00 45.22 C ATOM 0 H PHE A 83 11.408 -15.136 -9.989 1.00 12.13 H new ATOM 0 HA PHE A 83 13.120 -15.565 -7.631 1.00 60.31 H new ATOM 0 HB2 PHE A 83 13.941 -17.670 -8.817 1.00 71.54 H new ATOM 0 HB3 PHE A 83 12.375 -17.778 -8.038 1.00 71.54 H new ATOM 0 HD1 PHE A 83 13.283 -16.272 -11.337 1.00 3.24 H new ATOM 0 HD2 PHE A 83 11.175 -19.349 -9.279 1.00 13.22 H new ATOM 0 HE1 PHE A 83 12.278 -17.000 -13.456 1.00 54.53 H new ATOM 0 HE2 PHE A 83 10.166 -20.077 -11.397 1.00 22.33 H new ATOM 0 HZ PHE A 83 10.719 -18.906 -13.491 1.00 45.22 H new ATOM 1429 N PHE A 84 15.202 -15.662 -9.433 1.00 14.20 N ATOM 1430 CA PHE A 84 16.320 -15.139 -10.209 1.00 62.41 C ATOM 1431 C PHE A 84 17.402 -16.201 -10.385 1.00 44.44 C ATOM 1432 O PHE A 84 17.355 -17.260 -9.760 1.00 61.30 O ATOM 1433 CB PHE A 84 16.909 -13.903 -9.526 1.00 72.04 C ATOM 1434 CG PHE A 84 17.511 -14.191 -8.181 1.00 0.21 C ATOM 1435 CD1 PHE A 84 18.633 -14.996 -8.067 1.00 72.11 C ATOM 1436 CD2 PHE A 84 16.955 -13.656 -7.030 1.00 30.43 C ATOM 1437 CE1 PHE A 84 19.190 -15.263 -6.830 1.00 53.44 C ATOM 1438 CE2 PHE A 84 17.508 -13.919 -5.791 1.00 32.15 C ATOM 1439 CZ PHE A 84 18.626 -14.724 -5.691 1.00 33.14 C ATOM 0 H PHE A 84 15.444 -16.434 -8.812 1.00 14.20 H new ATOM 0 HA PHE A 84 15.947 -14.858 -11.194 1.00 62.41 H new ATOM 0 HB2 PHE A 84 17.673 -13.470 -10.172 1.00 72.04 H new ATOM 0 HB3 PHE A 84 16.126 -13.153 -9.412 1.00 72.04 H new ATOM 0 HD1 PHE A 84 19.078 -15.420 -8.955 1.00 72.11 H new ATOM 0 HD2 PHE A 84 16.080 -13.027 -7.102 1.00 30.43 H new ATOM 0 HE1 PHE A 84 20.065 -15.892 -6.755 1.00 53.44 H new ATOM 0 HE2 PHE A 84 17.066 -13.495 -4.901 1.00 32.15 H new ATOM 0 HZ PHE A 84 19.058 -14.931 -4.723 1.00 33.14 H new ATOM 1449 N ILE A 85 18.376 -15.908 -11.241 1.00 53.32 N ATOM 1450 CA ILE A 85 19.470 -16.836 -11.500 1.00 13.43 C ATOM 1451 C ILE A 85 20.749 -16.384 -10.804 1.00 65.11 C ATOM 1452 O ILE A 85 20.994 -15.188 -10.649 1.00 71.20 O ATOM 1453 CB ILE A 85 19.742 -16.978 -13.009 1.00 20.52 C ATOM 1454 CG1 ILE A 85 20.152 -15.630 -13.605 1.00 75.22 C ATOM 1455 CG2 ILE A 85 18.513 -17.527 -13.719 1.00 45.21 C ATOM 1456 CD1 ILE A 85 20.545 -15.709 -15.064 1.00 22.24 C ATOM 0 H ILE A 85 18.430 -15.035 -11.767 1.00 53.32 H new ATOM 0 HA ILE A 85 19.165 -17.804 -11.102 1.00 13.43 H new ATOM 0 HB ILE A 85 20.563 -17.680 -13.151 1.00 20.52 H new ATOM 0 HG12 ILE A 85 19.325 -14.928 -13.497 1.00 75.22 H new ATOM 0 HG13 ILE A 85 20.988 -15.228 -13.033 1.00 75.22 H new ATOM 0 HG21 ILE A 85 18.721 -17.622 -14.785 1.00 45.21 H new ATOM 0 HG22 ILE A 85 18.263 -18.506 -13.310 1.00 45.21 H new ATOM 0 HG23 ILE A 85 17.674 -16.847 -13.572 1.00 45.21 H new ATOM 0 HD11 ILE A 85 20.824 -14.717 -15.420 1.00 22.24 H new ATOM 0 HD12 ILE A 85 21.392 -16.386 -15.177 1.00 22.24 H new ATOM 0 HD13 ILE A 85 19.703 -16.081 -15.648 1.00 22.24 H new ATOM 1468 N GLU A 86 21.563 -17.350 -10.389 1.00 3.21 N ATOM 1469 CA GLU A 86 22.819 -17.051 -9.711 1.00 10.33 C ATOM 1470 C GLU A 86 23.696 -16.140 -10.566 1.00 34.13 C ATOM 1471 O GLU A 86 24.487 -15.353 -10.046 1.00 12.45 O ATOM 1472 CB GLU A 86 23.570 -18.344 -9.388 1.00 5.24 C ATOM 1473 CG GLU A 86 24.841 -18.125 -8.583 1.00 50.35 C ATOM 1474 CD GLU A 86 24.882 -18.960 -7.318 1.00 51.43 C ATOM 1475 OE1 GLU A 86 24.031 -18.737 -6.432 1.00 75.54 O ATOM 1476 OE2 GLU A 86 25.766 -19.836 -7.215 1.00 10.32 O ATOM 0 H GLU A 86 21.375 -18.345 -10.510 1.00 3.21 H new ATOM 0 HA GLU A 86 22.586 -16.533 -8.781 1.00 10.33 H new ATOM 0 HB2 GLU A 86 22.909 -19.009 -8.833 1.00 5.24 H new ATOM 0 HB3 GLU A 86 23.823 -18.850 -10.320 1.00 5.24 H new ATOM 0 HG2 GLU A 86 25.705 -18.367 -9.202 1.00 50.35 H new ATOM 0 HG3 GLU A 86 24.923 -17.070 -8.320 1.00 50.35 H new ATOM 1483 N THR A 87 23.550 -16.254 -11.882 1.00 52.23 N ATOM 1484 CA THR A 87 24.328 -15.443 -12.810 1.00 63.53 C ATOM 1485 C THR A 87 23.811 -14.010 -12.856 1.00 72.45 C ATOM 1486 O THR A 87 24.411 -13.144 -13.493 1.00 11.23 O ATOM 1487 CB THR A 87 24.299 -16.034 -14.233 1.00 10.13 C ATOM 1488 OG1 THR A 87 23.389 -17.139 -14.286 1.00 4.41 O ATOM 1489 CG2 THR A 87 25.686 -16.492 -14.657 1.00 42.44 C ATOM 0 H THR A 87 22.900 -16.900 -12.329 1.00 52.23 H new ATOM 0 HA THR A 87 25.355 -15.443 -12.445 1.00 63.53 H new ATOM 0 HB THR A 87 23.965 -15.256 -14.919 1.00 10.13 H new ATOM 0 HG1 THR A 87 23.375 -17.508 -15.194 1.00 4.41 H new ATOM 0 HG21 THR A 87 25.640 -16.905 -15.665 1.00 42.44 H new ATOM 0 HG22 THR A 87 26.369 -15.643 -14.644 1.00 42.44 H new ATOM 0 HG23 THR A 87 26.044 -17.256 -13.967 1.00 42.44 H new ATOM 1497 N ASP A 88 22.695 -13.767 -12.178 1.00 73.33 N ATOM 1498 CA ASP A 88 22.097 -12.438 -12.141 1.00 2.45 C ATOM 1499 C ASP A 88 22.425 -11.732 -10.829 1.00 1.44 C ATOM 1500 O ASP A 88 22.104 -10.557 -10.648 1.00 2.41 O ATOM 1501 CB ASP A 88 20.581 -12.531 -12.319 1.00 30.25 C ATOM 1502 CG ASP A 88 20.142 -12.195 -13.730 1.00 71.11 C ATOM 1503 OD1 ASP A 88 20.982 -12.285 -14.649 1.00 40.35 O ATOM 1504 OD2 ASP A 88 18.958 -11.842 -13.915 1.00 44.54 O ATOM 0 H ASP A 88 22.186 -14.473 -11.646 1.00 73.33 H new ATOM 0 HA ASP A 88 22.515 -11.856 -12.962 1.00 2.45 H new ATOM 0 HB2 ASP A 88 20.250 -13.539 -12.069 1.00 30.25 H new ATOM 0 HB3 ASP A 88 20.094 -11.853 -11.619 1.00 30.25 H new ATOM 1509 N ILE A 89 23.065 -12.456 -9.917 1.00 13.14 N ATOM 1510 CA ILE A 89 23.436 -11.899 -8.622 1.00 14.41 C ATOM 1511 C ILE A 89 24.935 -12.028 -8.377 1.00 2.01 C ATOM 1512 O ILE A 89 25.572 -11.109 -7.862 1.00 12.23 O ATOM 1513 CB ILE A 89 22.678 -12.590 -7.473 1.00 73.23 C ATOM 1514 CG1 ILE A 89 21.209 -12.794 -7.852 1.00 64.10 C ATOM 1515 CG2 ILE A 89 22.792 -11.773 -6.195 1.00 42.33 C ATOM 1516 CD1 ILE A 89 20.447 -11.500 -8.034 1.00 31.34 C ATOM 0 H ILE A 89 23.337 -13.430 -10.051 1.00 13.14 H new ATOM 0 HA ILE A 89 23.163 -10.844 -8.643 1.00 14.41 H new ATOM 0 HB ILE A 89 23.128 -13.567 -7.297 1.00 73.23 H new ATOM 0 HG12 ILE A 89 21.157 -13.370 -8.776 1.00 64.10 H new ATOM 0 HG13 ILE A 89 20.722 -13.388 -7.079 1.00 64.10 H new ATOM 0 HG21 ILE A 89 22.251 -12.275 -5.393 1.00 42.33 H new ATOM 0 HG22 ILE A 89 23.842 -11.675 -5.919 1.00 42.33 H new ATOM 0 HG23 ILE A 89 22.365 -10.783 -6.357 1.00 42.33 H new ATOM 0 HD11 ILE A 89 19.414 -11.721 -8.301 1.00 31.34 H new ATOM 0 HD12 ILE A 89 20.468 -10.932 -7.104 1.00 31.34 H new ATOM 0 HD13 ILE A 89 20.910 -10.914 -8.828 1.00 31.34 H new ATOM 1528 N ARG A 90 25.494 -13.174 -8.751 1.00 74.43 N ATOM 1529 CA ARG A 90 26.919 -13.424 -8.573 1.00 31.10 C ATOM 1530 C ARG A 90 27.745 -12.248 -9.086 1.00 21.14 C ATOM 1531 O ARG A 90 28.504 -11.621 -8.346 1.00 33.23 O ATOM 1532 CB ARG A 90 27.329 -14.705 -9.301 1.00 71.33 C ATOM 1533 CG ARG A 90 28.763 -14.688 -9.804 1.00 3.23 C ATOM 1534 CD ARG A 90 29.239 -16.083 -10.179 1.00 41.51 C ATOM 1535 NE ARG A 90 28.250 -16.802 -10.977 1.00 40.12 N ATOM 1536 CZ ARG A 90 28.220 -18.125 -11.092 1.00 12.10 C ATOM 1537 NH1 ARG A 90 29.119 -18.869 -10.463 1.00 10.01 N ATOM 1538 NH2 ARG A 90 27.288 -18.706 -11.837 1.00 23.41 N ATOM 0 H ARG A 90 24.981 -13.945 -9.180 1.00 74.43 H new ATOM 0 HA ARG A 90 27.111 -13.543 -7.507 1.00 31.10 H new ATOM 0 HB2 ARG A 90 27.199 -15.553 -8.628 1.00 71.33 H new ATOM 0 HB3 ARG A 90 26.659 -14.863 -10.146 1.00 71.33 H new ATOM 0 HG2 ARG A 90 28.838 -14.032 -10.671 1.00 3.23 H new ATOM 0 HG3 ARG A 90 29.415 -14.275 -9.034 1.00 3.23 H new ATOM 0 HD2 ARG A 90 30.172 -16.010 -10.738 1.00 41.51 H new ATOM 0 HD3 ARG A 90 29.454 -16.649 -9.272 1.00 41.51 H new ATOM 0 HE ARG A 90 27.544 -16.259 -11.473 1.00 40.12 H new ATOM 0 HH11 ARG A 90 29.836 -18.426 -9.889 1.00 10.01 H new ATOM 0 HH12 ARG A 90 29.094 -19.885 -10.553 1.00 10.01 H new ATOM 0 HH21 ARG A 90 26.594 -18.137 -12.322 1.00 23.41 H new ATOM 0 HH22 ARG A 90 27.265 -19.722 -11.925 1.00 23.41 H new ATOM 1552 N PRO A 91 27.597 -11.941 -10.383 1.00 35.12 N ATOM 1553 CA PRO A 91 28.321 -10.839 -11.023 1.00 74.25 C ATOM 1554 C PRO A 91 27.840 -9.474 -10.544 1.00 41.43 C ATOM 1555 O PRO A 91 28.174 -8.446 -11.133 1.00 71.15 O ATOM 1556 CB PRO A 91 28.006 -11.025 -12.510 1.00 65.20 C ATOM 1557 CG PRO A 91 26.707 -11.754 -12.534 1.00 42.54 C ATOM 1558 CD PRO A 91 26.710 -12.646 -11.324 1.00 13.41 C ATOM 0 HA PRO A 91 29.386 -10.862 -10.792 1.00 74.25 H new ATOM 0 HB2 PRO A 91 27.931 -10.066 -13.022 1.00 65.20 H new ATOM 0 HB3 PRO A 91 28.788 -11.594 -13.012 1.00 65.20 H new ATOM 0 HG2 PRO A 91 25.869 -11.058 -12.504 1.00 42.54 H new ATOM 0 HG3 PRO A 91 26.604 -12.338 -13.449 1.00 42.54 H new ATOM 0 HD2 PRO A 91 25.708 -12.771 -10.914 1.00 13.41 H new ATOM 0 HD3 PRO A 91 27.085 -13.642 -11.560 1.00 13.41 H new ATOM 1566 N MET A 92 27.055 -9.471 -9.472 1.00 2.52 N ATOM 1567 CA MET A 92 26.531 -8.230 -8.913 1.00 15.11 C ATOM 1568 C MET A 92 27.018 -8.030 -7.481 1.00 55.13 C ATOM 1569 O MET A 92 27.106 -6.901 -6.997 1.00 1.20 O ATOM 1570 CB MET A 92 25.001 -8.237 -8.947 1.00 41.35 C ATOM 1571 CG MET A 92 24.418 -7.564 -10.180 1.00 20.13 C ATOM 1572 SD MET A 92 23.023 -6.491 -9.790 1.00 55.23 S ATOM 1573 CE MET A 92 23.017 -5.411 -11.219 1.00 50.12 C ATOM 0 H MET A 92 26.768 -10.313 -8.973 1.00 2.52 H new ATOM 0 HA MET A 92 26.898 -7.403 -9.521 1.00 15.11 H new ATOM 0 HB2 MET A 92 24.649 -9.268 -8.905 1.00 41.35 H new ATOM 0 HB3 MET A 92 24.623 -7.735 -8.056 1.00 41.35 H new ATOM 0 HG2 MET A 92 25.195 -6.979 -10.672 1.00 20.13 H new ATOM 0 HG3 MET A 92 24.097 -8.328 -10.889 1.00 20.13 H new ATOM 0 HE1 MET A 92 22.207 -4.688 -11.125 1.00 50.12 H new ATOM 0 HE2 MET A 92 23.969 -4.883 -11.280 1.00 50.12 H new ATOM 0 HE3 MET A 92 22.872 -6.004 -12.122 1.00 50.12 H new ATOM 1583 N LEU A 93 27.332 -9.131 -6.809 1.00 32.53 N ATOM 1584 CA LEU A 93 27.810 -9.077 -5.432 1.00 11.15 C ATOM 1585 C LEU A 93 29.161 -8.374 -5.352 1.00 24.43 C ATOM 1586 O LEU A 93 29.274 -7.189 -5.662 1.00 50.11 O ATOM 1587 CB LEU A 93 27.921 -10.489 -4.853 1.00 42.32 C ATOM 1588 CG LEU A 93 26.615 -11.277 -4.751 1.00 11.01 C ATOM 1589 CD1 LEU A 93 26.899 -12.759 -4.559 1.00 43.42 C ATOM 1590 CD2 LEU A 93 25.759 -10.745 -3.611 1.00 54.42 C ATOM 0 H LEU A 93 27.264 -10.073 -7.195 1.00 32.53 H new ATOM 0 HA LEU A 93 27.089 -8.507 -4.846 1.00 11.15 H new ATOM 0 HB2 LEU A 93 28.618 -11.058 -5.468 1.00 42.32 H new ATOM 0 HB3 LEU A 93 28.358 -10.418 -3.857 1.00 42.32 H new ATOM 0 HG LEU A 93 26.064 -11.151 -5.683 1.00 11.01 H new ATOM 0 HD11 LEU A 93 25.958 -13.304 -4.488 1.00 43.42 H new ATOM 0 HD12 LEU A 93 27.472 -13.133 -5.408 1.00 43.42 H new ATOM 0 HD13 LEU A 93 27.472 -12.904 -3.643 1.00 43.42 H new ATOM 0 HD21 LEU A 93 24.833 -11.318 -3.553 1.00 54.42 H new ATOM 0 HD22 LEU A 93 26.304 -10.840 -2.672 1.00 54.42 H new ATOM 0 HD23 LEU A 93 25.526 -9.695 -3.790 1.00 54.42 H new ATOM 1602 N GLN A 94 30.184 -9.115 -4.936 1.00 12.21 N ATOM 1603 CA GLN A 94 31.528 -8.562 -4.817 1.00 60.52 C ATOM 1604 C GLN A 94 32.561 -9.509 -5.421 1.00 14.22 C ATOM 1605 O GLN A 94 32.453 -10.728 -5.286 1.00 42.23 O ATOM 1606 CB GLN A 94 31.863 -8.292 -3.350 1.00 2.35 C ATOM 1607 CG GLN A 94 31.820 -6.819 -2.977 1.00 55.52 C ATOM 1608 CD GLN A 94 32.983 -6.404 -2.097 1.00 75.15 C ATOM 1609 OE1 GLN A 94 33.930 -5.769 -2.560 1.00 44.22 O ATOM 1610 NE2 GLN A 94 32.916 -6.762 -0.821 1.00 22.35 N ATOM 0 H GLN A 94 30.107 -10.098 -4.676 1.00 12.21 H new ATOM 0 HA GLN A 94 31.557 -7.622 -5.368 1.00 60.52 H new ATOM 0 HB2 GLN A 94 31.162 -8.838 -2.719 1.00 2.35 H new ATOM 0 HB3 GLN A 94 32.857 -8.684 -3.135 1.00 2.35 H new ATOM 0 HG2 GLN A 94 31.825 -6.218 -3.886 1.00 55.52 H new ATOM 0 HG3 GLN A 94 30.884 -6.607 -2.460 1.00 55.52 H new ATOM 0 HE21 GLN A 94 32.111 -7.288 -0.481 1.00 22.35 H new ATOM 0 HE22 GLN A 94 33.669 -6.511 -0.181 1.00 22.35 H new ATOM 1619 N ASP A 95 33.560 -8.940 -6.086 1.00 13.41 N ATOM 1620 CA ASP A 95 34.613 -9.732 -6.710 1.00 34.51 C ATOM 1621 C ASP A 95 35.492 -10.395 -5.654 1.00 70.11 C ATOM 1622 O ASP A 95 36.116 -11.425 -5.909 1.00 62.03 O ATOM 1623 CB ASP A 95 35.467 -8.854 -7.625 1.00 62.44 C ATOM 1624 CG ASP A 95 36.487 -8.037 -6.857 1.00 30.31 C ATOM 1625 OD1 ASP A 95 36.100 -7.003 -6.274 1.00 23.00 O ATOM 1626 OD2 ASP A 95 37.672 -8.432 -6.839 1.00 41.51 O ATOM 0 H ASP A 95 33.663 -7.932 -6.207 1.00 13.41 H new ATOM 0 HA ASP A 95 34.141 -10.513 -7.307 1.00 34.51 H new ATOM 0 HB2 ASP A 95 35.982 -9.484 -8.350 1.00 62.44 H new ATOM 0 HB3 ASP A 95 34.819 -8.183 -8.189 1.00 62.44 H new ATOM 1631 N ARG A 96 35.537 -9.797 -4.468 1.00 50.53 N ATOM 1632 CA ARG A 96 36.342 -10.327 -3.375 1.00 33.34 C ATOM 1633 C ARG A 96 35.473 -11.100 -2.386 1.00 64.00 C ATOM 1634 O ARG A 96 35.977 -11.685 -1.426 1.00 0.20 O ATOM 1635 CB ARG A 96 37.070 -9.193 -2.652 1.00 11.33 C ATOM 1636 CG ARG A 96 36.162 -8.039 -2.258 1.00 73.23 C ATOM 1637 CD ARG A 96 36.927 -6.957 -1.512 1.00 34.41 C ATOM 1638 NE ARG A 96 36.273 -6.591 -0.258 1.00 63.21 N ATOM 1639 CZ ARG A 96 36.384 -7.297 0.862 1.00 71.13 C ATOM 1640 NH1 ARG A 96 37.119 -8.400 0.884 1.00 73.41 N ATOM 1641 NH2 ARG A 96 35.759 -6.899 1.963 1.00 61.24 N ATOM 0 H ARG A 96 35.025 -8.945 -4.240 1.00 50.53 H new ATOM 0 HA ARG A 96 37.079 -11.010 -3.798 1.00 33.34 H new ATOM 0 HB2 ARG A 96 37.546 -9.591 -1.756 1.00 11.33 H new ATOM 0 HB3 ARG A 96 37.865 -8.815 -3.295 1.00 11.33 H new ATOM 0 HG2 ARG A 96 35.705 -7.613 -3.151 1.00 73.23 H new ATOM 0 HG3 ARG A 96 35.351 -8.410 -1.631 1.00 73.23 H new ATOM 0 HD2 ARG A 96 37.939 -7.305 -1.305 1.00 34.41 H new ATOM 0 HD3 ARG A 96 37.017 -6.074 -2.145 1.00 34.41 H new ATOM 0 HE ARG A 96 35.700 -5.747 -0.241 1.00 63.21 H new ATOM 0 HH11 ARG A 96 37.601 -8.709 0.040 1.00 73.41 H new ATOM 0 HH12 ARG A 96 37.203 -8.940 1.745 1.00 73.41 H new ATOM 0 HH21 ARG A 96 35.193 -6.051 1.950 1.00 61.24 H new ATOM 0 HH22 ARG A 96 35.845 -7.442 2.822 1.00 61.24 H new ATOM 1655 N LEU A 97 34.167 -11.098 -2.627 1.00 0.22 N ATOM 1656 CA LEU A 97 33.228 -11.798 -1.758 1.00 33.23 C ATOM 1657 C LEU A 97 33.449 -13.306 -1.820 1.00 32.11 C ATOM 1658 O LEU A 97 33.026 -14.043 -0.929 1.00 1.35 O ATOM 1659 CB LEU A 97 31.789 -11.465 -2.156 1.00 33.43 C ATOM 1660 CG LEU A 97 30.706 -12.385 -1.590 1.00 0.01 C ATOM 1661 CD1 LEU A 97 30.799 -12.449 -0.073 1.00 64.43 C ATOM 1662 CD2 LEU A 97 29.326 -11.912 -2.021 1.00 55.14 C ATOM 0 H LEU A 97 33.734 -10.619 -3.417 1.00 0.22 H new ATOM 0 HA LEU A 97 33.401 -11.466 -0.734 1.00 33.23 H new ATOM 0 HB2 LEU A 97 31.573 -10.445 -1.840 1.00 33.43 H new ATOM 0 HB3 LEU A 97 31.721 -11.483 -3.244 1.00 33.43 H new ATOM 0 HG LEU A 97 30.865 -13.388 -1.986 1.00 0.01 H new ATOM 0 HD11 LEU A 97 30.021 -13.108 0.312 1.00 64.43 H new ATOM 0 HD12 LEU A 97 31.777 -12.835 0.216 1.00 64.43 H new ATOM 0 HD13 LEU A 97 30.666 -11.450 0.342 1.00 64.43 H new ATOM 0 HD21 LEU A 97 28.568 -12.578 -1.609 1.00 55.14 H new ATOM 0 HD22 LEU A 97 29.157 -10.900 -1.654 1.00 55.14 H new ATOM 0 HD23 LEU A 97 29.262 -11.919 -3.109 1.00 55.14 H new ATOM 1674 N ARG A 98 34.115 -13.758 -2.877 1.00 64.11 N ATOM 1675 CA ARG A 98 34.394 -15.178 -3.055 1.00 33.11 C ATOM 1676 C ARG A 98 33.099 -15.971 -3.209 1.00 51.21 C ATOM 1677 O ARG A 98 32.031 -15.556 -2.758 1.00 71.13 O ATOM 1678 CB ARG A 98 35.195 -15.715 -1.867 1.00 74.34 C ATOM 1679 CG ARG A 98 36.209 -14.725 -1.319 1.00 14.23 C ATOM 1680 CD ARG A 98 37.132 -14.210 -2.412 1.00 23.15 C ATOM 1681 NE ARG A 98 37.745 -15.299 -3.168 1.00 10.20 N ATOM 1682 CZ ARG A 98 38.750 -16.037 -2.710 1.00 73.31 C ATOM 1683 NH1 ARG A 98 39.252 -15.805 -1.505 1.00 72.51 N ATOM 1684 NH2 ARG A 98 39.254 -17.011 -3.458 1.00 11.40 N ATOM 0 H ARG A 98 34.472 -13.161 -3.624 1.00 64.11 H new ATOM 0 HA ARG A 98 34.983 -15.296 -3.965 1.00 33.11 H new ATOM 0 HB2 ARG A 98 34.505 -15.994 -1.071 1.00 74.34 H new ATOM 0 HB3 ARG A 98 35.715 -16.624 -2.171 1.00 74.34 H new ATOM 0 HG2 ARG A 98 35.688 -13.887 -0.857 1.00 14.23 H new ATOM 0 HG3 ARG A 98 36.800 -15.203 -0.538 1.00 14.23 H new ATOM 0 HD2 ARG A 98 36.568 -13.570 -3.091 1.00 23.15 H new ATOM 0 HD3 ARG A 98 37.913 -13.593 -1.967 1.00 23.15 H new ATOM 0 HE ARG A 98 37.381 -15.504 -4.099 1.00 10.20 H new ATOM 0 HH11 ARG A 98 38.866 -15.058 -0.927 1.00 72.51 H new ATOM 0 HH12 ARG A 98 40.024 -16.373 -1.156 1.00 72.51 H new ATOM 0 HH21 ARG A 98 38.870 -17.193 -4.385 1.00 11.40 H new ATOM 0 HH22 ARG A 98 40.026 -17.577 -3.106 1.00 11.40 H new ATOM 1698 N PRO A 99 33.194 -17.139 -3.862 1.00 10.33 N ATOM 1699 CA PRO A 99 32.040 -18.014 -4.091 1.00 4.24 C ATOM 1700 C PRO A 99 31.540 -18.661 -2.804 1.00 72.41 C ATOM 1701 O PRO A 99 31.700 -19.865 -2.601 1.00 11.24 O ATOM 1702 CB PRO A 99 32.586 -19.077 -5.047 1.00 51.02 C ATOM 1703 CG PRO A 99 34.053 -19.104 -4.787 1.00 55.10 C ATOM 1704 CD PRO A 99 34.435 -17.695 -4.426 1.00 60.21 C ATOM 0 HA PRO A 99 31.184 -17.466 -4.485 1.00 4.24 H new ATOM 0 HB2 PRO A 99 32.133 -20.050 -4.858 1.00 51.02 H new ATOM 0 HB3 PRO A 99 32.373 -18.823 -6.085 1.00 51.02 H new ATOM 0 HG2 PRO A 99 34.293 -19.793 -3.977 1.00 55.10 H new ATOM 0 HG3 PRO A 99 34.599 -19.443 -5.667 1.00 55.10 H new ATOM 0 HD2 PRO A 99 35.250 -17.672 -3.703 1.00 60.21 H new ATOM 0 HD3 PRO A 99 34.767 -17.133 -5.299 1.00 60.21 H new ATOM 1712 N SER A 100 30.933 -17.856 -1.939 1.00 13.43 N ATOM 1713 CA SER A 100 30.411 -18.350 -0.670 1.00 24.12 C ATOM 1714 C SER A 100 28.919 -18.649 -0.775 1.00 70.02 C ATOM 1715 O SER A 100 28.339 -19.289 0.102 1.00 32.11 O ATOM 1716 CB SER A 100 30.661 -17.329 0.441 1.00 2.53 C ATOM 1717 OG SER A 100 30.186 -16.046 0.071 1.00 1.20 O ATOM 0 H SER A 100 30.790 -16.858 -2.093 1.00 13.43 H new ATOM 0 HA SER A 100 30.933 -19.276 -0.427 1.00 24.12 H new ATOM 0 HB2 SER A 100 30.165 -17.654 1.356 1.00 2.53 H new ATOM 0 HB3 SER A 100 31.728 -17.277 0.658 1.00 2.53 H new ATOM 0 HG SER A 100 30.497 -15.382 0.721 1.00 1.20 H new ATOM 1723 N PHE A 101 28.303 -18.181 -1.856 1.00 0.24 N ATOM 1724 CA PHE A 101 26.878 -18.396 -2.077 1.00 32.22 C ATOM 1725 C PHE A 101 26.523 -19.874 -1.938 1.00 42.21 C ATOM 1726 O PHE A 101 25.605 -20.236 -1.204 1.00 35.31 O ATOM 1727 CB PHE A 101 26.473 -17.891 -3.463 1.00 42.12 C ATOM 1728 CG PHE A 101 25.184 -17.119 -3.468 1.00 25.55 C ATOM 1729 CD1 PHE A 101 24.065 -17.611 -2.815 1.00 63.10 C ATOM 1730 CD2 PHE A 101 25.092 -15.903 -4.123 1.00 42.45 C ATOM 1731 CE1 PHE A 101 22.878 -16.904 -2.818 1.00 41.42 C ATOM 1732 CE2 PHE A 101 23.908 -15.190 -4.130 1.00 33.33 C ATOM 1733 CZ PHE A 101 22.799 -15.691 -3.475 1.00 65.22 C ATOM 0 H PHE A 101 28.769 -17.651 -2.592 1.00 0.24 H new ATOM 0 HA PHE A 101 26.330 -17.836 -1.320 1.00 32.22 H new ATOM 0 HB2 PHE A 101 27.268 -17.257 -3.856 1.00 42.12 H new ATOM 0 HB3 PHE A 101 26.380 -18.742 -4.138 1.00 42.12 H new ATOM 0 HD1 PHE A 101 24.121 -18.558 -2.298 1.00 63.10 H new ATOM 0 HD2 PHE A 101 25.956 -15.506 -4.635 1.00 42.45 H new ATOM 0 HE1 PHE A 101 22.012 -17.299 -2.307 1.00 41.42 H new ATOM 0 HE2 PHE A 101 23.850 -14.243 -4.646 1.00 33.33 H new ATOM 0 HZ PHE A 101 21.873 -15.136 -3.477 1.00 65.22 H new ATOM 1743 N ALA A 102 27.258 -20.722 -2.650 1.00 4.12 N ATOM 1744 CA ALA A 102 27.023 -22.160 -2.606 1.00 3.33 C ATOM 1745 C ALA A 102 27.074 -22.681 -1.173 1.00 42.34 C ATOM 1746 O ALA A 102 26.532 -23.743 -0.868 1.00 61.23 O ATOM 1747 CB ALA A 102 28.042 -22.888 -3.471 1.00 14.24 C ATOM 0 H ALA A 102 28.021 -20.438 -3.264 1.00 4.12 H new ATOM 0 HA ALA A 102 26.025 -22.352 -3.000 1.00 3.33 H new ATOM 0 HB1 ALA A 102 27.855 -23.961 -3.429 1.00 14.24 H new ATOM 0 HB2 ALA A 102 27.956 -22.545 -4.502 1.00 14.24 H new ATOM 0 HB3 ALA A 102 29.047 -22.680 -3.103 1.00 14.24 H new ATOM 1753 N LYS A 103 27.730 -21.927 -0.297 1.00 54.55 N ATOM 1754 CA LYS A 103 27.851 -22.311 1.104 1.00 65.03 C ATOM 1755 C LYS A 103 26.794 -21.613 1.953 1.00 22.34 C ATOM 1756 O LYS A 103 26.470 -22.064 3.052 1.00 62.35 O ATOM 1757 CB LYS A 103 29.248 -21.970 1.628 1.00 64.33 C ATOM 1758 CG LYS A 103 30.252 -23.099 1.463 1.00 52.44 C ATOM 1759 CD LYS A 103 30.839 -23.122 0.061 1.00 1.04 C ATOM 1760 CE LYS A 103 31.593 -24.416 -0.205 1.00 50.24 C ATOM 1761 NZ LYS A 103 32.879 -24.473 0.544 1.00 72.24 N ATOM 0 H LYS A 103 28.186 -21.046 -0.533 1.00 54.55 H new ATOM 0 HA LYS A 103 27.695 -23.387 1.175 1.00 65.03 H new ATOM 0 HB2 LYS A 103 29.617 -21.087 1.106 1.00 64.33 H new ATOM 0 HB3 LYS A 103 29.177 -21.709 2.684 1.00 64.33 H new ATOM 0 HG2 LYS A 103 31.054 -22.984 2.192 1.00 52.44 H new ATOM 0 HG3 LYS A 103 29.766 -24.052 1.671 1.00 52.44 H new ATOM 0 HD2 LYS A 103 30.040 -23.008 -0.671 1.00 1.04 H new ATOM 0 HD3 LYS A 103 31.512 -22.274 -0.067 1.00 1.04 H new ATOM 0 HE2 LYS A 103 30.970 -25.264 0.078 1.00 50.24 H new ATOM 0 HE3 LYS A 103 31.790 -24.508 -1.273 1.00 50.24 H new ATOM 0 HZ1 LYS A 103 33.363 -25.370 0.336 1.00 72.24 H new ATOM 0 HZ2 LYS A 103 33.484 -23.678 0.255 1.00 72.24 H new ATOM 0 HZ3 LYS A 103 32.689 -24.411 1.565 1.00 72.24 H new ATOM 1775 N ALA A 104 26.259 -20.512 1.437 1.00 1.31 N ATOM 1776 CA ALA A 104 25.236 -19.754 2.147 1.00 31.31 C ATOM 1777 C ALA A 104 23.845 -20.311 1.863 1.00 31.15 C ATOM 1778 O ALA A 104 22.903 -20.069 2.619 1.00 4.03 O ATOM 1779 CB ALA A 104 25.306 -18.284 1.763 1.00 3.32 C ATOM 0 H ALA A 104 26.517 -20.125 0.529 1.00 1.31 H new ATOM 0 HA ALA A 104 25.426 -19.848 3.216 1.00 31.31 H new ATOM 0 HB1 ALA A 104 24.536 -17.730 2.301 1.00 3.32 H new ATOM 0 HB2 ALA A 104 26.287 -17.886 2.023 1.00 3.32 H new ATOM 0 HB3 ALA A 104 25.145 -18.180 0.690 1.00 3.32 H new ATOM 1785 N ILE A 105 23.723 -21.057 0.770 1.00 13.45 N ATOM 1786 CA ILE A 105 22.446 -21.647 0.388 1.00 22.52 C ATOM 1787 C ILE A 105 21.796 -22.361 1.568 1.00 35.23 C ATOM 1788 O ILE A 105 20.629 -22.138 1.894 1.00 24.33 O ATOM 1789 CB ILE A 105 22.613 -22.646 -0.772 1.00 41.15 C ATOM 1790 CG1 ILE A 105 23.007 -21.910 -2.055 1.00 3.34 C ATOM 1791 CG2 ILE A 105 21.329 -23.435 -0.982 1.00 10.55 C ATOM 1792 CD1 ILE A 105 22.165 -20.684 -2.330 1.00 45.44 C ATOM 0 H ILE A 105 24.492 -21.267 0.134 1.00 13.45 H new ATOM 0 HA ILE A 105 21.804 -20.828 0.063 1.00 22.52 H new ATOM 0 HB ILE A 105 23.409 -23.346 -0.517 1.00 41.15 H new ATOM 0 HG12 ILE A 105 24.054 -21.614 -1.988 1.00 3.34 H new ATOM 0 HG13 ILE A 105 22.923 -22.596 -2.898 1.00 3.34 H new ATOM 0 HG21 ILE A 105 21.464 -24.137 -1.805 1.00 10.55 H new ATOM 0 HG22 ILE A 105 21.087 -23.985 -0.073 1.00 10.55 H new ATOM 0 HG23 ILE A 105 20.515 -22.749 -1.219 1.00 10.55 H new ATOM 0 HD11 ILE A 105 22.500 -20.213 -3.254 1.00 45.44 H new ATOM 0 HD12 ILE A 105 21.119 -20.976 -2.429 1.00 45.44 H new ATOM 0 HD13 ILE A 105 22.268 -19.979 -1.505 1.00 45.44 H new ATOM 1804 N PRO A 106 22.566 -23.240 2.227 1.00 42.35 N ATOM 1805 CA PRO A 106 22.087 -24.003 3.383 1.00 52.32 C ATOM 1806 C PRO A 106 21.872 -23.123 4.609 1.00 3.35 C ATOM 1807 O PRO A 106 21.209 -23.526 5.566 1.00 50.52 O ATOM 1808 CB PRO A 106 23.213 -25.008 3.636 1.00 31.01 C ATOM 1809 CG PRO A 106 24.432 -24.361 3.074 1.00 75.42 C ATOM 1810 CD PRO A 106 23.965 -23.555 1.893 1.00 23.50 C ATOM 0 HA PRO A 106 21.119 -24.466 3.193 1.00 52.32 H new ATOM 0 HB2 PRO A 106 23.329 -25.213 4.700 1.00 31.01 H new ATOM 0 HB3 PRO A 106 23.010 -25.961 3.148 1.00 31.01 H new ATOM 0 HG2 PRO A 106 24.913 -23.724 3.816 1.00 75.42 H new ATOM 0 HG3 PRO A 106 25.166 -25.108 2.771 1.00 75.42 H new ATOM 0 HD2 PRO A 106 24.560 -22.651 1.763 1.00 23.50 H new ATOM 0 HD3 PRO A 106 24.039 -24.122 0.965 1.00 23.50 H new ATOM 1818 N CYS A 107 22.437 -21.921 4.575 1.00 13.33 N ATOM 1819 CA CYS A 107 22.307 -20.983 5.685 1.00 22.44 C ATOM 1820 C CYS A 107 21.153 -20.015 5.448 1.00 60.14 C ATOM 1821 O CYS A 107 20.675 -19.362 6.376 1.00 2.31 O ATOM 1822 CB CYS A 107 23.610 -20.206 5.878 1.00 11.30 C ATOM 1823 SG CYS A 107 25.096 -21.235 5.846 1.00 31.32 S ATOM 0 H CYS A 107 22.989 -21.573 3.791 1.00 13.33 H new ATOM 0 HA CYS A 107 22.096 -21.555 6.589 1.00 22.44 H new ATOM 0 HB2 CYS A 107 23.688 -19.450 5.097 1.00 11.30 H new ATOM 0 HB3 CYS A 107 23.568 -19.678 6.830 1.00 11.30 H new ATOM 0 HG CYS A 107 25.423 -21.487 4.613 1.00 31.32 H new ATOM 1829 N LEU A 108 20.710 -19.926 4.198 1.00 23.23 N ATOM 1830 CA LEU A 108 19.613 -19.036 3.837 1.00 15.11 C ATOM 1831 C LEU A 108 18.283 -19.784 3.833 1.00 24.23 C ATOM 1832 O LEU A 108 17.219 -19.179 3.963 1.00 31.41 O ATOM 1833 CB LEU A 108 19.865 -18.415 2.462 1.00 11.53 C ATOM 1834 CG LEU A 108 20.515 -17.031 2.460 1.00 3.45 C ATOM 1835 CD1 LEU A 108 19.536 -15.980 2.960 1.00 10.12 C ATOM 1836 CD2 LEU A 108 21.777 -17.033 3.311 1.00 63.33 C ATOM 0 H LEU A 108 21.094 -20.460 3.418 1.00 23.23 H new ATOM 0 HA LEU A 108 19.561 -18.243 4.583 1.00 15.11 H new ATOM 0 HB2 LEU A 108 20.499 -19.093 1.890 1.00 11.53 H new ATOM 0 HB3 LEU A 108 18.913 -18.348 1.936 1.00 11.53 H new ATOM 0 HG LEU A 108 20.791 -16.783 1.435 1.00 3.45 H new ATOM 0 HD11 LEU A 108 20.017 -15.002 2.951 1.00 10.12 H new ATOM 0 HD12 LEU A 108 18.661 -15.960 2.311 1.00 10.12 H new ATOM 0 HD13 LEU A 108 19.228 -16.224 3.977 1.00 10.12 H new ATOM 0 HD21 LEU A 108 22.226 -16.040 3.298 1.00 63.33 H new ATOM 0 HD22 LEU A 108 21.524 -17.303 4.336 1.00 63.33 H new ATOM 0 HD23 LEU A 108 22.486 -17.757 2.909 1.00 63.33 H new ATOM 1848 N ARG A 109 18.353 -21.103 3.686 1.00 62.12 N ATOM 1849 CA ARG A 109 17.155 -21.934 3.666 1.00 24.23 C ATOM 1850 C ARG A 109 16.757 -22.347 5.080 1.00 10.23 C ATOM 1851 O ARG A 109 15.575 -22.521 5.378 1.00 73.24 O ATOM 1852 CB ARG A 109 17.386 -23.178 2.806 1.00 30.24 C ATOM 1853 CG ARG A 109 18.487 -24.086 3.331 1.00 54.20 C ATOM 1854 CD ARG A 109 18.494 -25.425 2.611 1.00 24.33 C ATOM 1855 NE ARG A 109 18.872 -25.290 1.207 1.00 24.11 N ATOM 1856 CZ ARG A 109 18.970 -26.317 0.370 1.00 3.02 C ATOM 1857 NH1 ARG A 109 18.719 -27.548 0.794 1.00 52.13 N ATOM 1858 NH2 ARG A 109 19.320 -26.113 -0.894 1.00 32.54 N ATOM 0 H ARG A 109 19.226 -21.619 3.579 1.00 62.12 H new ATOM 0 HA ARG A 109 16.343 -21.348 3.235 1.00 24.23 H new ATOM 0 HB2 ARG A 109 16.457 -23.745 2.745 1.00 30.24 H new ATOM 0 HB3 ARG A 109 17.636 -22.867 1.792 1.00 30.24 H new ATOM 0 HG2 ARG A 109 19.454 -23.598 3.205 1.00 54.20 H new ATOM 0 HG3 ARG A 109 18.349 -24.247 4.400 1.00 54.20 H new ATOM 0 HD2 ARG A 109 19.188 -26.101 3.110 1.00 24.33 H new ATOM 0 HD3 ARG A 109 17.505 -25.878 2.678 1.00 24.33 H new ATOM 0 HE ARG A 109 19.072 -24.356 0.849 1.00 24.11 H new ATOM 0 HH11 ARG A 109 18.450 -27.708 1.765 1.00 52.13 H new ATOM 0 HH12 ARG A 109 18.795 -28.335 0.149 1.00 52.13 H new ATOM 0 HH21 ARG A 109 19.514 -25.167 -1.223 1.00 32.54 H new ATOM 0 HH22 ARG A 109 19.395 -26.902 -1.536 1.00 32.54 H new ATOM 1872 N HIS A 110 17.752 -22.502 5.949 1.00 54.25 N ATOM 1873 CA HIS A 110 17.505 -22.894 7.332 1.00 50.14 C ATOM 1874 C HIS A 110 16.547 -21.919 8.010 1.00 72.50 C ATOM 1875 O HIS A 110 15.913 -22.254 9.011 1.00 14.42 O ATOM 1876 CB HIS A 110 18.821 -22.958 8.108 1.00 15.31 C ATOM 1877 CG HIS A 110 18.656 -23.400 9.530 1.00 41.24 C ATOM 1878 ND1 HIS A 110 19.015 -22.618 10.607 1.00 15.23 N ATOM 1879 CD2 HIS A 110 18.167 -24.550 10.048 1.00 74.41 C ATOM 1880 CE1 HIS A 110 18.754 -23.269 11.727 1.00 42.11 C ATOM 1881 NE2 HIS A 110 18.238 -24.444 11.415 1.00 25.21 N ATOM 0 H HIS A 110 18.736 -22.362 5.720 1.00 54.25 H new ATOM 0 HA HIS A 110 17.046 -23.883 7.328 1.00 50.14 H new ATOM 0 HB2 HIS A 110 19.500 -23.642 7.600 1.00 15.31 H new ATOM 0 HB3 HIS A 110 19.290 -21.974 8.094 1.00 15.31 H new ATOM 0 HD2 HIS A 110 17.791 -25.395 9.490 1.00 74.41 H new ATOM 0 HE1 HIS A 110 18.932 -22.903 12.727 1.00 42.11 H new ATOM 0 HE2 HIS A 110 17.941 -25.157 12.081 1.00 25.21 H new ATOM 1889 N ILE A 111 16.448 -20.715 7.459 1.00 54.52 N ATOM 1890 CA ILE A 111 15.567 -19.693 8.011 1.00 51.31 C ATOM 1891 C ILE A 111 14.273 -19.591 7.210 1.00 43.10 C ATOM 1892 O ILE A 111 13.333 -18.907 7.615 1.00 72.32 O ATOM 1893 CB ILE A 111 16.252 -18.313 8.037 1.00 75.45 C ATOM 1894 CG1 ILE A 111 17.044 -18.089 6.747 1.00 71.01 C ATOM 1895 CG2 ILE A 111 17.161 -18.196 9.251 1.00 51.14 C ATOM 1896 CD1 ILE A 111 17.473 -16.653 6.544 1.00 51.25 C ATOM 0 H ILE A 111 16.967 -20.423 6.631 1.00 54.52 H new ATOM 0 HA ILE A 111 15.336 -19.994 9.033 1.00 51.31 H new ATOM 0 HB ILE A 111 15.484 -17.543 8.108 1.00 75.45 H new ATOM 0 HG12 ILE A 111 17.928 -18.726 6.758 1.00 71.01 H new ATOM 0 HG13 ILE A 111 16.436 -18.402 5.898 1.00 71.01 H new ATOM 0 HG21 ILE A 111 17.638 -17.216 9.255 1.00 51.14 H new ATOM 0 HG22 ILE A 111 16.572 -18.317 10.160 1.00 51.14 H new ATOM 0 HG23 ILE A 111 17.926 -18.971 9.209 1.00 51.14 H new ATOM 0 HD11 ILE A 111 18.029 -16.568 5.611 1.00 51.25 H new ATOM 0 HD12 ILE A 111 16.592 -16.013 6.501 1.00 51.25 H new ATOM 0 HD13 ILE A 111 18.107 -16.342 7.374 1.00 51.25 H new ATOM 1908 N ARG A 112 14.233 -20.277 6.072 1.00 15.24 N ATOM 1909 CA ARG A 112 13.054 -20.264 5.214 1.00 32.25 C ATOM 1910 C ARG A 112 12.874 -18.899 4.557 1.00 4.00 C ATOM 1911 O ARG A 112 11.813 -18.596 4.012 1.00 13.04 O ATOM 1912 CB ARG A 112 11.805 -20.621 6.023 1.00 72.15 C ATOM 1913 CG ARG A 112 10.973 -19.414 6.422 1.00 14.35 C ATOM 1914 CD ARG A 112 10.467 -19.534 7.852 1.00 64.13 C ATOM 1915 NE ARG A 112 9.087 -19.075 7.985 1.00 62.42 N ATOM 1916 CZ ARG A 112 8.035 -19.789 7.600 1.00 22.41 C ATOM 1917 NH1 ARG A 112 8.205 -20.989 7.062 1.00 60.13 N ATOM 1918 NH2 ARG A 112 6.810 -19.304 7.754 1.00 0.22 N ATOM 0 H ARG A 112 15.003 -20.848 5.723 1.00 15.24 H new ATOM 0 HA ARG A 112 13.197 -21.009 4.431 1.00 32.25 H new ATOM 0 HB2 ARG A 112 11.186 -21.301 5.438 1.00 72.15 H new ATOM 0 HB3 ARG A 112 12.106 -21.158 6.923 1.00 72.15 H new ATOM 0 HG2 ARG A 112 11.572 -18.509 6.322 1.00 14.35 H new ATOM 0 HG3 ARG A 112 10.127 -19.313 5.743 1.00 14.35 H new ATOM 0 HD2 ARG A 112 10.536 -20.573 8.175 1.00 64.13 H new ATOM 0 HD3 ARG A 112 11.108 -18.951 8.513 1.00 64.13 H new ATOM 0 HE ARG A 112 8.922 -18.156 8.396 1.00 62.42 H new ATOM 0 HH11 ARG A 112 9.145 -21.366 6.943 1.00 60.13 H new ATOM 0 HH12 ARG A 112 7.395 -21.535 6.767 1.00 60.13 H new ATOM 0 HH21 ARG A 112 6.675 -18.382 8.168 1.00 0.22 H new ATOM 0 HH22 ARG A 112 6.003 -19.853 7.458 1.00 0.22 H new ATOM 1932 N ARG A 113 13.919 -18.079 4.613 1.00 61.44 N ATOM 1933 CA ARG A 113 13.876 -16.746 4.024 1.00 23.13 C ATOM 1934 C ARG A 113 13.834 -16.825 2.501 1.00 34.10 C ATOM 1935 O ARG A 113 13.243 -15.969 1.842 1.00 43.22 O ATOM 1936 CB ARG A 113 15.091 -15.930 4.469 1.00 2.25 C ATOM 1937 CG ARG A 113 15.122 -14.522 3.897 1.00 62.33 C ATOM 1938 CD ARG A 113 14.251 -13.573 4.705 1.00 43.25 C ATOM 1939 NE ARG A 113 14.676 -13.493 6.099 1.00 23.25 N ATOM 1940 CZ ARG A 113 13.939 -12.951 7.062 1.00 4.34 C ATOM 1941 NH1 ARG A 113 12.747 -12.443 6.783 1.00 71.21 N ATOM 1942 NH2 ARG A 113 14.395 -12.916 8.308 1.00 10.42 N ATOM 0 H ARG A 113 14.805 -18.314 5.060 1.00 61.44 H new ATOM 0 HA ARG A 113 12.968 -16.253 4.370 1.00 23.13 H new ATOM 0 HB2 ARG A 113 15.100 -15.871 5.557 1.00 2.25 H new ATOM 0 HB3 ARG A 113 15.999 -16.454 4.171 1.00 2.25 H new ATOM 0 HG2 ARG A 113 16.148 -14.155 3.886 1.00 62.33 H new ATOM 0 HG3 ARG A 113 14.779 -14.541 2.863 1.00 62.33 H new ATOM 0 HD2 ARG A 113 14.286 -12.580 4.258 1.00 43.25 H new ATOM 0 HD3 ARG A 113 13.214 -13.906 4.661 1.00 43.25 H new ATOM 0 HE ARG A 113 15.589 -13.874 6.347 1.00 23.25 H new ATOM 0 HH11 ARG A 113 12.393 -12.468 5.827 1.00 71.21 H new ATOM 0 HH12 ARG A 113 12.183 -12.027 7.525 1.00 71.21 H new ATOM 0 HH21 ARG A 113 15.312 -13.305 8.527 1.00 10.42 H new ATOM 0 HH22 ARG A 113 13.828 -12.500 9.047 1.00 10.42 H new ATOM 1956 N ILE A 114 14.463 -17.857 1.949 1.00 2.14 N ATOM 1957 CA ILE A 114 14.496 -18.047 0.505 1.00 64.43 C ATOM 1958 C ILE A 114 14.585 -19.527 0.147 1.00 24.12 C ATOM 1959 O ILE A 114 14.600 -20.389 1.026 1.00 5.34 O ATOM 1960 CB ILE A 114 15.684 -17.304 -0.134 1.00 64.10 C ATOM 1961 CG1 ILE A 114 17.007 -17.923 0.324 1.00 51.41 C ATOM 1962 CG2 ILE A 114 15.635 -15.825 0.218 1.00 1.14 C ATOM 1963 CD1 ILE A 114 17.514 -19.012 -0.594 1.00 62.43 C ATOM 0 H ILE A 114 14.957 -18.574 2.480 1.00 2.14 H new ATOM 0 HA ILE A 114 13.567 -17.635 0.112 1.00 64.43 H new ATOM 0 HB ILE A 114 15.615 -17.402 -1.217 1.00 64.10 H new ATOM 0 HG12 ILE A 114 17.761 -17.139 0.395 1.00 51.41 H new ATOM 0 HG13 ILE A 114 16.879 -18.334 1.326 1.00 51.41 H new ATOM 0 HG21 ILE A 114 16.481 -15.314 -0.241 1.00 1.14 H new ATOM 0 HG22 ILE A 114 14.705 -15.393 -0.153 1.00 1.14 H new ATOM 0 HG23 ILE A 114 15.683 -15.707 1.300 1.00 1.14 H new ATOM 0 HD11 ILE A 114 18.455 -19.405 -0.208 1.00 62.43 H new ATOM 0 HD12 ILE A 114 16.779 -19.815 -0.646 1.00 62.43 H new ATOM 0 HD13 ILE A 114 17.674 -18.602 -1.591 1.00 62.43 H new ATOM 1975 N ARG A 115 14.646 -19.814 -1.149 1.00 30.50 N ATOM 1976 CA ARG A 115 14.734 -21.190 -1.623 1.00 64.22 C ATOM 1977 C ARG A 115 15.616 -21.282 -2.865 1.00 44.40 C ATOM 1978 O ARG A 115 16.074 -20.266 -3.388 1.00 70.45 O ATOM 1979 CB ARG A 115 13.339 -21.736 -1.934 1.00 44.31 C ATOM 1980 CG ARG A 115 12.687 -22.445 -0.759 1.00 21.22 C ATOM 1981 CD ARG A 115 11.963 -23.707 -1.202 1.00 13.30 C ATOM 1982 NE ARG A 115 12.852 -24.632 -1.900 1.00 14.14 N ATOM 1983 CZ ARG A 115 13.694 -25.450 -1.279 1.00 61.32 C ATOM 1984 NH1 ARG A 115 13.762 -25.458 0.045 1.00 75.41 N ATOM 1985 NH2 ARG A 115 14.471 -26.263 -1.984 1.00 20.35 N ATOM 0 H ARG A 115 14.636 -19.112 -1.889 1.00 30.50 H new ATOM 0 HA ARG A 115 15.184 -21.791 -0.833 1.00 64.22 H new ATOM 0 HB2 ARG A 115 12.699 -20.913 -2.252 1.00 44.31 H new ATOM 0 HB3 ARG A 115 13.408 -22.429 -2.773 1.00 44.31 H new ATOM 0 HG2 ARG A 115 13.446 -22.700 -0.020 1.00 21.22 H new ATOM 0 HG3 ARG A 115 11.982 -21.772 -0.272 1.00 21.22 H new ATOM 0 HD2 ARG A 115 11.534 -24.204 -0.331 1.00 13.30 H new ATOM 0 HD3 ARG A 115 11.134 -23.438 -1.856 1.00 13.30 H new ATOM 0 HE ARG A 115 12.825 -24.651 -2.919 1.00 14.14 H new ATOM 0 HH11 ARG A 115 13.166 -24.835 0.590 1.00 75.41 H new ATOM 0 HH12 ARG A 115 14.410 -26.088 0.519 1.00 75.41 H new ATOM 0 HH21 ARG A 115 14.421 -26.260 -3.003 1.00 20.35 H new ATOM 0 HH22 ARG A 115 15.118 -26.891 -1.507 1.00 20.35 H new ATOM 1999 N GLU A 116 15.850 -22.505 -3.330 1.00 3.11 N ATOM 2000 CA GLU A 116 16.679 -22.728 -4.509 1.00 55.21 C ATOM 2001 C GLU A 116 16.227 -23.975 -5.263 1.00 71.23 C ATOM 2002 O GLU A 116 16.105 -25.053 -4.683 1.00 32.23 O ATOM 2003 CB GLU A 116 18.149 -22.865 -4.108 1.00 71.15 C ATOM 2004 CG GLU A 116 18.352 -23.519 -2.752 1.00 74.42 C ATOM 2005 CD GLU A 116 18.293 -22.524 -1.610 1.00 24.02 C ATOM 2006 OE1 GLU A 116 18.911 -21.446 -1.731 1.00 43.54 O ATOM 2007 OE2 GLU A 116 17.631 -22.823 -0.595 1.00 33.23 O ATOM 0 H GLU A 116 15.478 -23.356 -2.909 1.00 3.11 H new ATOM 0 HA GLU A 116 16.569 -21.866 -5.168 1.00 55.21 H new ATOM 0 HB2 GLU A 116 18.670 -23.450 -4.866 1.00 71.15 H new ATOM 0 HB3 GLU A 116 18.608 -21.876 -4.097 1.00 71.15 H new ATOM 0 HG2 GLU A 116 17.589 -24.283 -2.603 1.00 74.42 H new ATOM 0 HG3 GLU A 116 19.317 -24.026 -2.738 1.00 74.42 H new ATOM 2014 N GLU A 117 15.980 -23.819 -6.560 1.00 42.42 N ATOM 2015 CA GLU A 117 15.541 -24.932 -7.393 1.00 53.23 C ATOM 2016 C GLU A 117 16.607 -25.295 -8.423 1.00 30.03 C ATOM 2017 O GLU A 117 16.782 -24.599 -9.423 1.00 2.43 O ATOM 2018 CB GLU A 117 14.231 -24.581 -8.102 1.00 34.32 C ATOM 2019 CG GLU A 117 13.434 -25.797 -8.545 1.00 63.04 C ATOM 2020 CD GLU A 117 12.021 -25.801 -7.997 1.00 12.44 C ATOM 2021 OE1 GLU A 117 11.194 -25.000 -8.483 1.00 23.41 O ATOM 2022 OE2 GLU A 117 11.741 -26.603 -7.081 1.00 50.44 O ATOM 0 H GLU A 117 16.076 -22.933 -7.056 1.00 42.42 H new ATOM 0 HA GLU A 117 15.377 -25.794 -6.746 1.00 53.23 H new ATOM 0 HB2 GLU A 117 13.616 -23.978 -7.434 1.00 34.32 H new ATOM 0 HB3 GLU A 117 14.453 -23.965 -8.974 1.00 34.32 H new ATOM 0 HG2 GLU A 117 13.397 -25.825 -9.634 1.00 63.04 H new ATOM 0 HG3 GLU A 117 13.948 -26.702 -8.220 1.00 63.04 H new ATOM 2029 N ARG A 118 17.317 -26.390 -8.170 1.00 13.24 N ATOM 2030 CA ARG A 118 18.367 -26.845 -9.072 1.00 70.15 C ATOM 2031 C ARG A 118 17.772 -27.389 -10.368 1.00 40.32 C ATOM 2032 O ARG A 118 17.272 -28.514 -10.409 1.00 43.34 O ATOM 2033 CB ARG A 118 19.217 -27.923 -8.398 1.00 3.14 C ATOM 2034 CG ARG A 118 20.337 -27.364 -7.535 1.00 12.12 C ATOM 2035 CD ARG A 118 19.794 -26.706 -6.276 1.00 2.41 C ATOM 2036 NE ARG A 118 18.951 -27.614 -5.504 1.00 14.35 N ATOM 2037 CZ ARG A 118 19.427 -28.603 -4.756 1.00 44.12 C ATOM 2038 NH1 ARG A 118 20.735 -28.810 -4.680 1.00 72.25 N ATOM 2039 NH2 ARG A 118 18.596 -29.387 -4.082 1.00 72.12 N ATOM 0 H ARG A 118 17.184 -26.978 -7.347 1.00 13.24 H new ATOM 0 HA ARG A 118 19.000 -25.991 -9.312 1.00 70.15 H new ATOM 0 HB2 ARG A 118 18.572 -28.549 -7.781 1.00 3.14 H new ATOM 0 HB3 ARG A 118 19.647 -28.567 -9.165 1.00 3.14 H new ATOM 0 HG2 ARG A 118 21.022 -28.166 -7.261 1.00 12.12 H new ATOM 0 HG3 ARG A 118 20.911 -26.636 -8.109 1.00 12.12 H new ATOM 0 HD2 ARG A 118 20.625 -26.368 -5.657 1.00 2.41 H new ATOM 0 HD3 ARG A 118 19.219 -25.821 -6.549 1.00 2.41 H new ATOM 0 HE ARG A 118 17.940 -27.482 -5.541 1.00 14.35 H new ATOM 0 HH11 ARG A 118 21.377 -28.209 -5.197 1.00 72.25 H new ATOM 0 HH12 ARG A 118 21.098 -29.570 -4.105 1.00 72.25 H new ATOM 0 HH21 ARG A 118 17.590 -29.231 -4.138 1.00 72.12 H new ATOM 0 HH22 ARG A 118 18.963 -30.146 -3.508 1.00 72.12 H new ATOM 2053 N CYS A 119 17.829 -26.583 -11.423 1.00 30.12 N ATOM 2054 CA CYS A 119 17.295 -26.983 -12.720 1.00 14.41 C ATOM 2055 C CYS A 119 18.402 -27.048 -13.767 1.00 75.01 C ATOM 2056 O CYS A 119 18.592 -26.113 -14.543 1.00 51.24 O ATOM 2057 CB CYS A 119 16.207 -26.005 -13.170 1.00 25.53 C ATOM 2058 SG CYS A 119 15.080 -25.497 -11.851 1.00 22.04 S ATOM 0 H CYS A 119 18.239 -25.649 -11.405 1.00 30.12 H new ATOM 0 HA CYS A 119 16.860 -27.977 -12.616 1.00 14.41 H new ATOM 0 HB2 CYS A 119 16.682 -25.118 -13.589 1.00 25.53 H new ATOM 0 HB3 CYS A 119 15.628 -26.465 -13.971 1.00 25.53 H new ATOM 0 HG CYS A 119 15.768 -25.096 -10.823 1.00 22.04 H new ATOM 2064 N GLY A 120 19.131 -28.160 -13.781 1.00 51.24 N ATOM 2065 CA GLY A 120 20.211 -28.326 -14.736 1.00 3.01 C ATOM 2066 C GLY A 120 21.358 -27.367 -14.486 1.00 25.31 C ATOM 2067 O GLY A 120 21.738 -27.104 -13.345 1.00 12.44 O ATOM 0 H GLY A 120 18.993 -28.948 -13.148 1.00 51.24 H new ATOM 0 HA2 GLY A 120 20.581 -29.350 -14.687 1.00 3.01 H new ATOM 0 HA3 GLY A 120 19.827 -28.173 -15.745 1.00 3.01 H new ATOM 2071 N PRO A 121 21.932 -26.829 -15.572 1.00 43.21 N ATOM 2072 CA PRO A 121 23.052 -25.886 -15.491 1.00 22.52 C ATOM 2073 C PRO A 121 22.633 -24.535 -14.922 1.00 72.21 C ATOM 2074 O PRO A 121 23.439 -23.608 -14.839 1.00 1.22 O ATOM 2075 CB PRO A 121 23.498 -25.738 -16.948 1.00 34.42 C ATOM 2076 CG PRO A 121 22.284 -26.060 -17.750 1.00 31.45 C ATOM 2077 CD PRO A 121 21.532 -27.098 -16.963 1.00 75.02 C ATOM 0 HA PRO A 121 23.837 -26.243 -14.825 1.00 22.52 H new ATOM 0 HB2 PRO A 121 23.852 -24.728 -17.153 1.00 34.42 H new ATOM 0 HB3 PRO A 121 24.318 -26.416 -17.182 1.00 34.42 H new ATOM 0 HG2 PRO A 121 21.673 -25.171 -17.907 1.00 31.45 H new ATOM 0 HG3 PRO A 121 22.556 -26.438 -18.735 1.00 31.45 H new ATOM 0 HD2 PRO A 121 20.455 -27.001 -17.097 1.00 75.02 H new ATOM 0 HD3 PRO A 121 21.802 -28.108 -17.270 1.00 75.02 H new ATOM 2085 N LEU A 122 21.367 -24.430 -14.531 1.00 65.24 N ATOM 2086 CA LEU A 122 20.841 -23.191 -13.969 1.00 73.33 C ATOM 2087 C LEU A 122 20.392 -23.396 -12.526 1.00 12.11 C ATOM 2088 O LEU A 122 20.420 -24.513 -12.007 1.00 53.44 O ATOM 2089 CB LEU A 122 19.670 -22.683 -14.812 1.00 71.03 C ATOM 2090 CG LEU A 122 19.980 -22.381 -16.279 1.00 30.21 C ATOM 2091 CD1 LEU A 122 18.745 -22.593 -17.140 1.00 54.42 C ATOM 2092 CD2 LEU A 122 20.502 -20.960 -16.432 1.00 63.10 C ATOM 0 H LEU A 122 20.687 -25.187 -14.593 1.00 65.24 H new ATOM 0 HA LEU A 122 21.638 -22.448 -13.980 1.00 73.33 H new ATOM 0 HB2 LEU A 122 18.873 -23.426 -14.775 1.00 71.03 H new ATOM 0 HB3 LEU A 122 19.282 -21.776 -14.349 1.00 71.03 H new ATOM 0 HG LEU A 122 20.755 -23.070 -16.616 1.00 30.21 H new ATOM 0 HD11 LEU A 122 18.985 -22.373 -18.180 1.00 54.42 H new ATOM 0 HD12 LEU A 122 18.415 -23.628 -17.054 1.00 54.42 H new ATOM 0 HD13 LEU A 122 17.948 -21.929 -16.803 1.00 54.42 H new ATOM 0 HD21 LEU A 122 20.717 -20.763 -17.482 1.00 63.10 H new ATOM 0 HD22 LEU A 122 19.749 -20.256 -16.077 1.00 63.10 H new ATOM 0 HD23 LEU A 122 21.414 -20.842 -15.846 1.00 63.10 H new ATOM 2104 N THR A 123 19.976 -22.310 -11.881 1.00 74.14 N ATOM 2105 CA THR A 123 19.519 -22.370 -10.498 1.00 64.15 C ATOM 2106 C THR A 123 18.685 -21.145 -10.141 1.00 70.42 C ATOM 2107 O THR A 123 19.171 -20.015 -10.189 1.00 72.23 O ATOM 2108 CB THR A 123 20.705 -22.473 -9.520 1.00 14.11 C ATOM 2109 OG1 THR A 123 21.748 -23.267 -10.096 1.00 33.34 O ATOM 2110 CG2 THR A 123 20.264 -23.085 -8.199 1.00 20.30 C ATOM 0 H THR A 123 19.946 -21.378 -12.295 1.00 74.14 H new ATOM 0 HA THR A 123 18.903 -23.264 -10.406 1.00 64.15 H new ATOM 0 HB THR A 123 21.079 -21.467 -9.329 1.00 14.11 H new ATOM 0 HG1 THR A 123 21.356 -24.036 -10.559 1.00 33.34 H new ATOM 0 HG21 THR A 123 21.118 -23.148 -7.524 1.00 20.30 H new ATOM 0 HG22 THR A 123 19.491 -22.462 -7.749 1.00 20.30 H new ATOM 0 HG23 THR A 123 19.867 -24.085 -8.376 1.00 20.30 H new ATOM 2118 N PHE A 124 17.427 -21.377 -9.782 1.00 54.11 N ATOM 2119 CA PHE A 124 16.524 -20.291 -9.417 1.00 31.54 C ATOM 2120 C PHE A 124 16.479 -20.108 -7.902 1.00 72.24 C ATOM 2121 O PHE A 124 16.975 -20.947 -7.150 1.00 10.35 O ATOM 2122 CB PHE A 124 15.117 -20.568 -9.950 1.00 71.42 C ATOM 2123 CG PHE A 124 15.076 -20.822 -11.430 1.00 42.21 C ATOM 2124 CD1 PHE A 124 15.570 -22.004 -11.958 1.00 35.44 C ATOM 2125 CD2 PHE A 124 14.544 -19.878 -12.294 1.00 2.03 C ATOM 2126 CE1 PHE A 124 15.534 -22.240 -13.319 1.00 10.40 C ATOM 2127 CE2 PHE A 124 14.506 -20.108 -13.656 1.00 54.11 C ATOM 2128 CZ PHE A 124 15.000 -21.291 -14.169 1.00 43.12 C ATOM 0 H PHE A 124 17.009 -22.306 -9.736 1.00 54.11 H new ATOM 0 HA PHE A 124 16.901 -19.372 -9.866 1.00 31.54 H new ATOM 0 HB2 PHE A 124 14.703 -21.432 -9.430 1.00 71.42 H new ATOM 0 HB3 PHE A 124 14.475 -19.718 -9.717 1.00 71.42 H new ATOM 0 HD1 PHE A 124 15.988 -22.750 -11.298 1.00 35.44 H new ATOM 0 HD2 PHE A 124 14.155 -18.952 -11.898 1.00 2.03 H new ATOM 0 HE1 PHE A 124 15.923 -23.165 -13.718 1.00 10.40 H new ATOM 0 HE2 PHE A 124 14.090 -19.363 -14.319 1.00 54.11 H new ATOM 0 HZ PHE A 124 14.969 -21.474 -15.233 1.00 43.12 H new ATOM 2138 N TYR A 125 15.881 -19.006 -7.464 1.00 23.03 N ATOM 2139 CA TYR A 125 15.773 -18.710 -6.040 1.00 65.00 C ATOM 2140 C TYR A 125 14.532 -17.872 -5.750 1.00 73.52 C ATOM 2141 O TYR A 125 14.396 -16.752 -6.243 1.00 33.24 O ATOM 2142 CB TYR A 125 17.023 -17.974 -5.555 1.00 5.03 C ATOM 2143 CG TYR A 125 18.316 -18.669 -5.920 1.00 34.35 C ATOM 2144 CD1 TYR A 125 18.941 -18.421 -7.135 1.00 63.42 C ATOM 2145 CD2 TYR A 125 18.910 -19.575 -5.050 1.00 1.35 C ATOM 2146 CE1 TYR A 125 20.122 -19.055 -7.473 1.00 54.23 C ATOM 2147 CE2 TYR A 125 20.091 -20.212 -5.379 1.00 10.44 C ATOM 2148 CZ TYR A 125 20.693 -19.949 -6.591 1.00 53.45 C ATOM 2149 OH TYR A 125 21.868 -20.582 -6.924 1.00 23.04 O ATOM 0 H TYR A 125 15.464 -18.303 -8.074 1.00 23.03 H new ATOM 0 HA TYR A 125 15.684 -19.655 -5.504 1.00 65.00 H new ATOM 0 HB2 TYR A 125 17.029 -16.969 -5.977 1.00 5.03 H new ATOM 0 HB3 TYR A 125 16.972 -17.865 -4.472 1.00 5.03 H new ATOM 0 HD1 TYR A 125 18.497 -17.721 -7.827 1.00 63.42 H new ATOM 0 HD2 TYR A 125 18.440 -19.785 -4.100 1.00 1.35 H new ATOM 0 HE1 TYR A 125 20.595 -18.852 -8.422 1.00 54.23 H new ATOM 0 HE2 TYR A 125 20.540 -20.912 -4.690 1.00 10.44 H new ATOM 0 HH TYR A 125 22.623 -19.982 -6.752 1.00 23.04 H new ATOM 2159 N TYR A 126 13.629 -18.424 -4.947 1.00 53.12 N ATOM 2160 CA TYR A 126 12.397 -17.730 -4.592 1.00 14.11 C ATOM 2161 C TYR A 126 12.250 -17.621 -3.077 1.00 73.42 C ATOM 2162 O TYR A 126 12.709 -18.477 -2.320 1.00 52.02 O ATOM 2163 CB TYR A 126 11.188 -18.458 -5.182 1.00 31.42 C ATOM 2164 CG TYR A 126 11.402 -19.945 -5.355 1.00 63.13 C ATOM 2165 CD1 TYR A 126 11.985 -20.453 -6.510 1.00 54.54 C ATOM 2166 CD2 TYR A 126 11.022 -20.842 -4.365 1.00 20.20 C ATOM 2167 CE1 TYR A 126 12.182 -21.810 -6.674 1.00 30.12 C ATOM 2168 CE2 TYR A 126 11.217 -22.201 -4.519 1.00 71.11 C ATOM 2169 CZ TYR A 126 11.797 -22.680 -5.675 1.00 71.12 C ATOM 2170 OH TYR A 126 11.991 -24.033 -5.833 1.00 64.22 O ATOM 0 H TYR A 126 13.727 -19.350 -4.530 1.00 53.12 H new ATOM 0 HA TYR A 126 12.445 -16.723 -5.008 1.00 14.11 H new ATOM 0 HB2 TYR A 126 10.326 -18.296 -4.535 1.00 31.42 H new ATOM 0 HB3 TYR A 126 10.947 -18.019 -6.150 1.00 31.42 H new ATOM 0 HD1 TYR A 126 12.289 -19.774 -7.293 1.00 54.54 H new ATOM 0 HD2 TYR A 126 10.566 -20.471 -3.459 1.00 20.20 H new ATOM 0 HE1 TYR A 126 12.635 -22.188 -7.579 1.00 30.12 H new ATOM 0 HE2 TYR A 126 10.917 -22.885 -3.738 1.00 71.11 H new ATOM 0 HH TYR A 126 11.666 -24.505 -5.038 1.00 64.22 H new ATOM 2180 N PRO A 127 11.593 -16.543 -2.623 1.00 62.53 N ATOM 2181 CA PRO A 127 11.368 -16.296 -1.196 1.00 25.41 C ATOM 2182 C PRO A 127 10.375 -17.280 -0.587 1.00 12.32 C ATOM 2183 O PRO A 127 9.163 -17.079 -0.660 1.00 43.43 O ATOM 2184 CB PRO A 127 10.801 -14.875 -1.167 1.00 35.30 C ATOM 2185 CG PRO A 127 10.178 -14.689 -2.508 1.00 4.43 C ATOM 2186 CD PRO A 127 11.019 -15.483 -3.469 1.00 21.15 C ATOM 0 HA PRO A 127 12.281 -16.417 -0.612 1.00 25.41 H new ATOM 0 HB2 PRO A 127 10.067 -14.758 -0.370 1.00 35.30 H new ATOM 0 HB3 PRO A 127 11.585 -14.139 -0.989 1.00 35.30 H new ATOM 0 HG2 PRO A 127 9.146 -15.040 -2.511 1.00 4.43 H new ATOM 0 HG3 PRO A 127 10.157 -13.635 -2.786 1.00 4.43 H new ATOM 0 HD2 PRO A 127 10.420 -15.896 -4.281 1.00 21.15 H new ATOM 0 HD3 PRO A 127 11.795 -14.869 -3.926 1.00 21.15 H new ATOM 2194 N GLY A 128 10.896 -18.344 0.016 1.00 60.33 N ATOM 2195 CA GLY A 128 10.040 -19.343 0.629 1.00 10.31 C ATOM 2196 C GLY A 128 8.859 -19.711 -0.247 1.00 21.21 C ATOM 2197 O GLY A 128 7.773 -19.150 -0.104 1.00 72.03 O ATOM 0 H GLY A 128 11.896 -18.532 0.091 1.00 60.33 H new ATOM 0 HA2 GLY A 128 10.625 -20.238 0.840 1.00 10.31 H new ATOM 0 HA3 GLY A 128 9.676 -18.968 1.585 1.00 10.31 H new ATOM 2201 N SER A 129 9.072 -20.656 -1.157 1.00 74.22 N ATOM 2202 CA SER A 129 8.017 -21.095 -2.064 1.00 22.02 C ATOM 2203 C SER A 129 6.747 -21.440 -1.293 1.00 33.51 C ATOM 2204 O SER A 129 5.698 -20.830 -1.498 1.00 74.22 O ATOM 2205 CB SER A 129 8.483 -22.308 -2.872 1.00 55.21 C ATOM 2206 OG SER A 129 7.471 -23.298 -2.934 1.00 73.01 O ATOM 0 H SER A 129 9.965 -21.132 -1.286 1.00 74.22 H new ATOM 0 HA SER A 129 7.794 -20.276 -2.748 1.00 22.02 H new ATOM 0 HB2 SER A 129 8.753 -21.995 -3.881 1.00 55.21 H new ATOM 0 HB3 SER A 129 9.380 -22.729 -2.418 1.00 55.21 H new ATOM 0 HG SER A 129 7.792 -24.062 -3.457 1.00 73.01 H new ATOM 2212 N SER A 130 6.850 -22.424 -0.405 1.00 0.03 N ATOM 2213 CA SER A 130 5.709 -22.855 0.395 1.00 3.51 C ATOM 2214 C SER A 130 5.913 -22.502 1.865 1.00 15.54 C ATOM 2215 O SER A 130 5.229 -23.030 2.741 1.00 41.12 O ATOM 2216 CB SER A 130 5.495 -24.362 0.246 1.00 53.12 C ATOM 2217 OG SER A 130 4.392 -24.799 1.021 1.00 71.32 O ATOM 0 H SER A 130 7.712 -22.938 -0.221 1.00 0.03 H new ATOM 0 HA SER A 130 4.824 -22.332 0.033 1.00 3.51 H new ATOM 0 HB2 SER A 130 5.326 -24.607 -0.803 1.00 53.12 H new ATOM 0 HB3 SER A 130 6.395 -24.893 0.557 1.00 53.12 H new ATOM 0 HG SER A 130 4.429 -24.381 1.907 1.00 71.32 H new TER 2223 SER A 130