USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 917 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 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 87 SER OG : rot -150:sc= -0.797 USER MOD Set 2.1: A 36 CYS SG : rot -135:sc= 0.712 USER MOD Set 2.2: A 78 ASN : amide:sc= 1.54 K(o=2.3,f=-3.8!) USER MOD Set 3.1: A 9 SER OG : rot 97:sc= 0.797 USER MOD Set 3.2: A 11 HIS : no HE2:sc= 1.04 K(o=3.1,f=-1.9) USER MOD Set 3.3: A 60 TYR OH : rot 160:sc= 1.29 USER MOD Set 4.1: A 41 LYS NZ :NH3+ -116:sc= 0.0468 (180deg=0) USER MOD Set 4.2: A 43 TYR OH : rot 30:sc= -0.0509 USER MOD Set 5.1: A 18 MET CE :methyl -110:sc= -1.98! (180deg=-3.88!) USER MOD Set 5.2: A 37 MET CE :methyl 175:sc= -0.819 (180deg=-0.871) USER MOD Set 6.1: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 33 HIS : no HE2:sc= 0.00482 K(o=0.0048,f=-4.2!) USER MOD Set 7.1: A 1 MET N :NH3+ 169:sc= -0.0922 (180deg=-0.301) USER MOD Set 7.2: A 2 ASN : amide:sc= -0.263 K(o=-0.35,f=-3.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.0953 X(o=-0.095,f=-0.38) USER MOD Single : A 5 SER OG : rot 180:sc= 0.149 USER MOD Single : A 8 LYS NZ :NH3+ -158:sc= 1.28 (180deg=1.17) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 82:sc= 0.9 USER MOD Single : A 22 SER OG : rot 95:sc= 0.0525 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.0041) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -168:sc=-0.00231 (180deg=-0.126) USER MOD Single : A 44 CYS SG : rot 180:sc= -0.924 USER MOD Single : A 48 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.4) USER MOD Single : A 50 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.61) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 145:sc= -0.636 (180deg=-2.12!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 155:sc= 0.0235 USER MOD Single : A 69 CYS SG : rot -46:sc= -0.151 USER MOD Single : A 70 ASN : amide:sc= -0.0323 K(o=-0.032,f=-1.6!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.546 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.0221 F(o=-0.76,f=-0.022) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -70:sc= 1.17 USER MOD Single : A 85 TYR OH : rot 69:sc= 1.14 USER MOD Single : A 91 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0345) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -159:sc= -0.087 (180deg=-0.606) USER MOD Single : A 97 ASN : amide:sc= -0.635 K(o=-0.63,f=-5.4!) USER MOD Single : A 101 LYS NZ :NH3+ -160:sc= 0.118! (180deg=-0.36!) USER MOD Single : A 107 HIS : no HD1:sc= -0.212 X(o=-0.21,f=-0.22) USER MOD Single : A 108 HIS : no HE2:sc= -0.0954 K(o=-0.095,f=-2.3!) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 112 HIS : no HE2:sc= -0.059 K(o=-0.059,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.727 1.153 13.150 1.00 65.05 N ATOM 2 CA MET A 1 17.313 1.845 11.975 1.00 54.13 C ATOM 3 C MET A 1 18.311 0.943 11.254 1.00 72.51 C ATOM 4 O MET A 1 19.137 1.421 10.477 1.00 22.22 O ATOM 5 CB MET A 1 18.011 3.136 12.418 1.00 54.24 C ATOM 6 CG MET A 1 19.222 2.901 13.307 1.00 24.51 C ATOM 7 SD MET A 1 20.018 4.434 13.819 1.00 20.41 S ATOM 8 CE MET A 1 21.413 3.794 14.743 1.00 63.41 C ATOM 0 H1 MET A 1 16.199 1.837 13.728 1.00 65.05 H new ATOM 0 H2 MET A 1 16.083 0.404 12.826 1.00 65.05 H new ATOM 0 H3 MET A 1 17.488 0.732 13.720 1.00 65.05 H new ATOM 0 HA MET A 1 16.504 2.089 11.286 1.00 54.13 H new ATOM 0 HB2 MET A 1 18.323 3.692 11.534 1.00 54.24 H new ATOM 0 HB3 MET A 1 17.295 3.761 12.952 1.00 54.24 H new ATOM 0 HG2 MET A 1 18.915 2.343 14.192 1.00 24.51 H new ATOM 0 HG3 MET A 1 19.944 2.282 12.774 1.00 24.51 H new ATOM 0 HE1 MET A 1 22.006 4.624 15.127 1.00 63.41 H new ATOM 0 HE2 MET A 1 21.052 3.190 15.575 1.00 63.41 H new ATOM 0 HE3 MET A 1 22.031 3.178 14.089 1.00 63.41 H new ATOM 20 N ASN A 2 18.215 -0.361 11.492 1.00 14.14 N ATOM 21 CA ASN A 2 19.158 -1.319 10.920 1.00 74.15 C ATOM 22 C ASN A 2 19.019 -1.361 9.406 1.00 11.00 C ATOM 23 O ASN A 2 19.938 -0.998 8.674 1.00 62.25 O ATOM 24 CB ASN A 2 18.928 -2.725 11.491 1.00 50.31 C ATOM 25 CG ASN A 2 19.121 -2.811 12.995 1.00 30.24 C ATOM 26 OD1 ASN A 2 18.809 -1.875 13.736 1.00 3.14 O ATOM 27 ND2 ASN A 2 19.644 -3.935 13.456 1.00 33.12 N ATOM 0 H ASN A 2 17.493 -0.780 12.078 1.00 14.14 H new ATOM 0 HA ASN A 2 20.164 -0.992 11.183 1.00 74.15 H new ATOM 0 HB2 ASN A 2 17.916 -3.047 11.244 1.00 50.31 H new ATOM 0 HB3 ASN A 2 19.612 -3.421 11.005 1.00 50.31 H new ATOM 0 HD21 ASN A 2 19.803 -4.051 14.457 1.00 33.12 H new ATOM 0 HD22 ASN A 2 19.889 -4.686 12.811 1.00 33.12 H new ATOM 34 N ASN A 3 17.856 -1.795 8.947 1.00 2.43 N ATOM 35 CA ASN A 3 17.566 -1.864 7.522 1.00 3.13 C ATOM 36 C ASN A 3 16.215 -1.209 7.234 1.00 62.33 C ATOM 37 O ASN A 3 15.170 -1.855 7.263 1.00 31.44 O ATOM 38 CB ASN A 3 17.625 -3.320 7.017 1.00 30.54 C ATOM 39 CG ASN A 3 16.807 -4.293 7.854 1.00 21.12 C ATOM 40 OD1 ASN A 3 15.650 -4.579 7.549 1.00 71.05 O ATOM 41 ND2 ASN A 3 17.407 -4.815 8.916 1.00 54.01 N ATOM 0 H ASN A 3 17.091 -2.107 9.545 1.00 2.43 H new ATOM 0 HA ASN A 3 18.329 -1.311 6.975 1.00 3.13 H new ATOM 0 HB2 ASN A 3 17.269 -3.352 5.987 1.00 30.54 H new ATOM 0 HB3 ASN A 3 18.664 -3.649 7.006 1.00 30.54 H new ATOM 0 HD21 ASN A 3 16.907 -5.477 9.510 1.00 54.01 H new ATOM 0 HD22 ASN A 3 18.368 -4.555 9.138 1.00 54.01 H new ATOM 48 N PRO A 4 16.223 0.114 7.020 1.00 11.41 N ATOM 49 CA PRO A 4 15.001 0.897 6.834 1.00 53.31 C ATOM 50 C PRO A 4 14.419 0.782 5.424 1.00 73.32 C ATOM 51 O PRO A 4 14.790 -0.104 4.651 1.00 3.42 O ATOM 52 CB PRO A 4 15.473 2.325 7.102 1.00 63.14 C ATOM 53 CG PRO A 4 16.896 2.336 6.661 1.00 11.31 C ATOM 54 CD PRO A 4 17.434 0.952 6.930 1.00 65.51 C ATOM 0 HA PRO A 4 14.197 0.555 7.486 1.00 53.31 H new ATOM 0 HB2 PRO A 4 14.879 3.050 6.546 1.00 63.14 H new ATOM 0 HB3 PRO A 4 15.382 2.582 8.158 1.00 63.14 H new ATOM 0 HG2 PRO A 4 16.973 2.584 5.602 1.00 11.31 H new ATOM 0 HG3 PRO A 4 17.466 3.088 7.207 1.00 11.31 H new ATOM 0 HD2 PRO A 4 18.094 0.617 6.130 1.00 65.51 H new ATOM 0 HD3 PRO A 4 18.012 0.920 7.854 1.00 65.51 H new ATOM 62 N SER A 5 13.516 1.697 5.100 1.00 73.42 N ATOM 63 CA SER A 5 12.854 1.739 3.803 1.00 35.55 C ATOM 64 C SER A 5 13.778 2.296 2.715 1.00 53.10 C ATOM 65 O SER A 5 13.373 3.122 1.895 1.00 13.41 O ATOM 66 CB SER A 5 11.600 2.599 3.940 1.00 35.43 C ATOM 67 OG SER A 5 11.787 3.574 4.957 1.00 22.12 O ATOM 0 H SER A 5 13.219 2.438 5.735 1.00 73.42 H new ATOM 0 HA SER A 5 12.588 0.727 3.499 1.00 35.55 H new ATOM 0 HB2 SER A 5 11.380 3.089 2.991 1.00 35.43 H new ATOM 0 HB3 SER A 5 10.743 1.970 4.181 1.00 35.43 H new ATOM 0 HG SER A 5 10.979 4.122 5.037 1.00 22.12 H new ATOM 73 N ASP A 6 15.009 1.806 2.693 1.00 64.42 N ATOM 74 CA ASP A 6 16.023 2.294 1.761 1.00 23.44 C ATOM 75 C ASP A 6 16.098 1.382 0.545 1.00 23.13 C ATOM 76 O ASP A 6 17.060 1.407 -0.221 1.00 35.51 O ATOM 77 CB ASP A 6 17.377 2.348 2.457 1.00 2.11 C ATOM 78 CG ASP A 6 18.285 3.425 1.892 1.00 20.00 C ATOM 79 OD1 ASP A 6 18.943 3.181 0.860 1.00 0.22 O ATOM 80 OD2 ASP A 6 18.355 4.518 2.492 1.00 32.23 O ATOM 0 H ASP A 6 15.334 1.065 3.314 1.00 64.42 H new ATOM 0 HA ASP A 6 15.750 3.296 1.431 1.00 23.44 H new ATOM 0 HB2 ASP A 6 17.227 2.527 3.522 1.00 2.11 H new ATOM 0 HB3 ASP A 6 17.868 1.379 2.363 1.00 2.11 H new ATOM 85 N PHE A 7 15.071 0.571 0.388 1.00 23.04 N ATOM 86 CA PHE A 7 14.985 -0.379 -0.703 1.00 52.23 C ATOM 87 C PHE A 7 14.829 0.333 -2.047 1.00 71.14 C ATOM 88 O PHE A 7 14.826 1.567 -2.113 1.00 54.52 O ATOM 89 CB PHE A 7 13.805 -1.319 -0.458 1.00 73.23 C ATOM 90 CG PHE A 7 14.046 -2.319 0.640 1.00 4.03 C ATOM 91 CD1 PHE A 7 14.842 -3.434 0.424 1.00 4.22 C ATOM 92 CD2 PHE A 7 13.480 -2.138 1.890 1.00 24.42 C ATOM 93 CE1 PHE A 7 15.065 -4.350 1.435 1.00 33.40 C ATOM 94 CE2 PHE A 7 13.699 -3.049 2.905 1.00 43.01 C ATOM 95 CZ PHE A 7 14.492 -4.157 2.678 1.00 42.31 C ATOM 0 H PHE A 7 14.268 0.552 1.017 1.00 23.04 H new ATOM 0 HA PHE A 7 15.910 -0.954 -0.742 1.00 52.23 H new ATOM 0 HB2 PHE A 7 12.925 -0.726 -0.210 1.00 73.23 H new ATOM 0 HB3 PHE A 7 13.580 -1.853 -1.381 1.00 73.23 H new ATOM 0 HD1 PHE A 7 15.293 -3.588 -0.545 1.00 4.22 H new ATOM 0 HD2 PHE A 7 12.859 -1.274 2.074 1.00 24.42 H new ATOM 0 HE1 PHE A 7 15.686 -5.215 1.254 1.00 33.40 H new ATOM 0 HE2 PHE A 7 13.251 -2.895 3.875 1.00 43.01 H new ATOM 0 HZ PHE A 7 14.664 -4.871 3.470 1.00 42.31 H new ATOM 105 N LYS A 8 14.698 -0.454 -3.112 1.00 35.30 N ATOM 106 CA LYS A 8 14.545 0.076 -4.468 1.00 42.15 C ATOM 107 C LYS A 8 13.383 1.066 -4.540 1.00 51.51 C ATOM 108 O LYS A 8 13.458 2.090 -5.221 1.00 35.01 O ATOM 109 CB LYS A 8 14.303 -1.066 -5.467 1.00 70.51 C ATOM 110 CG LYS A 8 13.045 -1.873 -5.170 1.00 4.52 C ATOM 111 CD LYS A 8 12.416 -2.445 -6.431 1.00 23.44 C ATOM 112 CE LYS A 8 12.718 -3.923 -6.611 1.00 32.14 C ATOM 113 NZ LYS A 8 11.888 -4.516 -7.693 1.00 51.44 N ATOM 0 H LYS A 8 14.695 -1.473 -3.062 1.00 35.30 H new ATOM 0 HA LYS A 8 15.468 0.595 -4.728 1.00 42.15 H new ATOM 0 HB2 LYS A 8 14.230 -0.650 -6.472 1.00 70.51 H new ATOM 0 HB3 LYS A 8 15.164 -1.734 -5.460 1.00 70.51 H new ATOM 0 HG2 LYS A 8 13.291 -2.687 -4.488 1.00 4.52 H new ATOM 0 HG3 LYS A 8 12.320 -1.238 -4.661 1.00 4.52 H new ATOM 0 HD2 LYS A 8 11.336 -2.300 -6.393 1.00 23.44 H new ATOM 0 HD3 LYS A 8 12.781 -1.894 -7.298 1.00 23.44 H new ATOM 0 HE2 LYS A 8 13.774 -4.055 -6.846 1.00 32.14 H new ATOM 0 HE3 LYS A 8 12.532 -4.451 -5.676 1.00 32.14 H new ATOM 0 HZ1 LYS A 8 11.825 -5.545 -7.558 1.00 51.44 H new ATOM 0 HZ2 LYS A 8 10.933 -4.104 -7.663 1.00 51.44 H new ATOM 0 HZ3 LYS A 8 12.324 -4.314 -8.615 1.00 51.44 H new ATOM 127 N SER A 9 12.318 0.748 -3.821 1.00 52.35 N ATOM 128 CA SER A 9 11.114 1.550 -3.823 1.00 2.12 C ATOM 129 C SER A 9 10.281 1.189 -2.603 1.00 43.23 C ATOM 130 O SER A 9 10.518 0.155 -1.971 1.00 30.41 O ATOM 131 CB SER A 9 10.316 1.309 -5.112 1.00 71.21 C ATOM 132 OG SER A 9 9.179 2.158 -5.193 1.00 45.01 O ATOM 0 H SER A 9 12.268 -0.075 -3.220 1.00 52.35 H new ATOM 0 HA SER A 9 11.376 2.607 -3.783 1.00 2.12 H new ATOM 0 HB2 SER A 9 10.959 1.479 -5.975 1.00 71.21 H new ATOM 0 HB3 SER A 9 9.996 0.268 -5.153 1.00 71.21 H new ATOM 0 HG SER A 9 9.392 2.939 -5.746 1.00 45.01 H new ATOM 138 N PHE A 10 9.310 2.029 -2.280 1.00 23.35 N ATOM 139 CA PHE A 10 8.469 1.816 -1.114 1.00 73.03 C ATOM 140 C PHE A 10 7.656 0.533 -1.250 1.00 51.44 C ATOM 141 O PHE A 10 7.335 -0.111 -0.257 1.00 41.11 O ATOM 142 CB PHE A 10 7.540 3.013 -0.916 1.00 11.42 C ATOM 143 CG PHE A 10 8.277 4.312 -0.765 1.00 13.31 C ATOM 144 CD1 PHE A 10 8.933 4.619 0.417 1.00 31.21 C ATOM 145 CD2 PHE A 10 8.323 5.223 -1.807 1.00 65.30 C ATOM 146 CE1 PHE A 10 9.618 5.809 0.557 1.00 74.42 C ATOM 147 CE2 PHE A 10 9.007 6.413 -1.673 1.00 54.53 C ATOM 148 CZ PHE A 10 9.654 6.708 -0.489 1.00 44.11 C ATOM 0 H PHE A 10 9.085 2.869 -2.813 1.00 23.35 H new ATOM 0 HA PHE A 10 9.114 1.715 -0.241 1.00 73.03 H new ATOM 0 HB2 PHE A 10 6.862 3.084 -1.767 1.00 11.42 H new ATOM 0 HB3 PHE A 10 6.925 2.846 -0.031 1.00 11.42 H new ATOM 0 HD1 PHE A 10 8.908 3.918 1.238 1.00 31.21 H new ATOM 0 HD2 PHE A 10 7.818 4.999 -2.735 1.00 65.30 H new ATOM 0 HE1 PHE A 10 10.125 6.036 1.483 1.00 74.42 H new ATOM 0 HE2 PHE A 10 9.037 7.114 -2.494 1.00 54.53 H new ATOM 0 HZ PHE A 10 10.187 7.641 -0.382 1.00 44.11 H new ATOM 158 N HIS A 11 7.354 0.156 -2.488 1.00 2.24 N ATOM 159 CA HIS A 11 6.569 -1.049 -2.760 1.00 33.41 C ATOM 160 C HIS A 11 7.323 -2.299 -2.313 1.00 52.13 C ATOM 161 O HIS A 11 6.730 -3.232 -1.771 1.00 2.24 O ATOM 162 CB HIS A 11 6.244 -1.163 -4.253 1.00 2.21 C ATOM 163 CG HIS A 11 5.308 -0.113 -4.773 1.00 11.15 C ATOM 164 ND1 HIS A 11 5.734 1.106 -5.257 1.00 51.51 N ATOM 165 CD2 HIS A 11 3.959 -0.119 -4.914 1.00 60.42 C ATOM 166 CE1 HIS A 11 4.689 1.802 -5.671 1.00 0.12 C ATOM 167 NE2 HIS A 11 3.599 1.083 -5.478 1.00 20.54 N ATOM 0 H HIS A 11 7.641 0.667 -3.323 1.00 2.24 H new ATOM 0 HA HIS A 11 5.639 -0.970 -2.197 1.00 33.41 H new ATOM 0 HB2 HIS A 11 7.175 -1.113 -4.818 1.00 2.21 H new ATOM 0 HB3 HIS A 11 5.809 -2.144 -4.442 1.00 2.21 H new ATOM 0 HD1 HIS A 11 6.703 1.421 -5.290 1.00 51.51 H new ATOM 0 HD2 HIS A 11 3.291 -0.920 -4.635 1.00 60.42 H new ATOM 0 HE1 HIS A 11 4.722 2.794 -6.096 1.00 0.12 H new ATOM 176 N ASP A 12 8.633 -2.294 -2.528 1.00 74.05 N ATOM 177 CA ASP A 12 9.477 -3.426 -2.170 1.00 73.45 C ATOM 178 C ASP A 12 9.602 -3.527 -0.658 1.00 41.12 C ATOM 179 O ASP A 12 9.663 -4.619 -0.090 1.00 75.32 O ATOM 180 CB ASP A 12 10.859 -3.268 -2.801 1.00 63.50 C ATOM 181 CG ASP A 12 11.717 -4.509 -2.658 1.00 3.22 C ATOM 182 OD1 ASP A 12 11.359 -5.555 -3.238 1.00 64.31 O ATOM 183 OD2 ASP A 12 12.753 -4.446 -1.968 1.00 65.42 O ATOM 0 H ASP A 12 9.136 -1.514 -2.951 1.00 74.05 H new ATOM 0 HA ASP A 12 9.019 -4.341 -2.547 1.00 73.45 H new ATOM 0 HB2 ASP A 12 10.745 -3.031 -3.859 1.00 63.50 H new ATOM 0 HB3 ASP A 12 11.370 -2.424 -2.338 1.00 63.50 H new ATOM 188 N PHE A 13 9.631 -2.369 -0.012 1.00 72.03 N ATOM 189 CA PHE A 13 9.633 -2.305 1.443 1.00 34.34 C ATOM 190 C PHE A 13 8.328 -2.870 1.994 1.00 64.44 C ATOM 191 O PHE A 13 8.324 -3.571 3.008 1.00 13.31 O ATOM 192 CB PHE A 13 9.831 -0.863 1.924 1.00 51.42 C ATOM 193 CG PHE A 13 9.806 -0.721 3.420 1.00 4.32 C ATOM 194 CD1 PHE A 13 10.851 -1.200 4.193 1.00 50.10 C ATOM 195 CD2 PHE A 13 8.739 -0.106 4.052 1.00 21.22 C ATOM 196 CE1 PHE A 13 10.832 -1.070 5.568 1.00 3.02 C ATOM 197 CE2 PHE A 13 8.714 0.028 5.428 1.00 22.12 C ATOM 198 CZ PHE A 13 9.762 -0.455 6.187 1.00 40.32 C ATOM 0 H PHE A 13 9.653 -1.460 -0.474 1.00 72.03 H new ATOM 0 HA PHE A 13 10.464 -2.906 1.813 1.00 34.34 H new ATOM 0 HB2 PHE A 13 10.784 -0.490 1.548 1.00 51.42 H new ATOM 0 HB3 PHE A 13 9.051 -0.235 1.494 1.00 51.42 H new ATOM 0 HD1 PHE A 13 11.691 -1.681 3.714 1.00 50.10 H new ATOM 0 HD2 PHE A 13 7.917 0.273 3.464 1.00 21.22 H new ATOM 0 HE1 PHE A 13 11.653 -1.449 6.158 1.00 3.02 H new ATOM 0 HE2 PHE A 13 7.876 0.510 5.909 1.00 22.12 H new ATOM 0 HZ PHE A 13 9.745 -0.352 7.262 1.00 40.32 H new ATOM 208 N VAL A 14 7.225 -2.566 1.311 1.00 4.30 N ATOM 209 CA VAL A 14 5.921 -3.111 1.672 1.00 14.15 C ATOM 210 C VAL A 14 5.975 -4.633 1.706 1.00 33.33 C ATOM 211 O VAL A 14 5.533 -5.251 2.668 1.00 64.23 O ATOM 212 CB VAL A 14 4.816 -2.663 0.688 1.00 31.25 C ATOM 213 CG1 VAL A 14 3.504 -3.366 0.989 1.00 5.14 C ATOM 214 CG2 VAL A 14 4.624 -1.157 0.740 1.00 24.42 C ATOM 0 H VAL A 14 7.211 -1.944 0.503 1.00 4.30 H new ATOM 0 HA VAL A 14 5.675 -2.726 2.661 1.00 14.15 H new ATOM 0 HB VAL A 14 5.135 -2.939 -0.317 1.00 31.25 H new ATOM 0 HG11 VAL A 14 2.743 -3.034 0.283 1.00 5.14 H new ATOM 0 HG12 VAL A 14 3.639 -4.444 0.896 1.00 5.14 H new ATOM 0 HG13 VAL A 14 3.187 -3.126 2.004 1.00 5.14 H new ATOM 0 HG21 VAL A 14 3.842 -0.866 0.039 1.00 24.42 H new ATOM 0 HG22 VAL A 14 4.336 -0.862 1.749 1.00 24.42 H new ATOM 0 HG23 VAL A 14 5.556 -0.662 0.469 1.00 24.42 H new ATOM 224 N ALA A 15 6.543 -5.226 0.661 1.00 14.41 N ATOM 225 CA ALA A 15 6.673 -6.677 0.576 1.00 34.25 C ATOM 226 C ALA A 15 7.493 -7.224 1.742 1.00 43.22 C ATOM 227 O ALA A 15 7.115 -8.218 2.366 1.00 40.13 O ATOM 228 CB ALA A 15 7.301 -7.074 -0.752 1.00 63.43 C ATOM 0 H ALA A 15 6.922 -4.723 -0.141 1.00 14.41 H new ATOM 0 HA ALA A 15 5.675 -7.112 0.635 1.00 34.25 H new ATOM 0 HB1 ALA A 15 7.392 -8.159 -0.802 1.00 63.43 H new ATOM 0 HB2 ALA A 15 6.672 -6.725 -1.571 1.00 63.43 H new ATOM 0 HB3 ALA A 15 8.290 -6.623 -0.836 1.00 63.43 H new ATOM 234 N SER A 16 8.596 -6.548 2.045 1.00 14.44 N ATOM 235 CA SER A 16 9.484 -6.956 3.130 1.00 34.10 C ATOM 236 C SER A 16 8.756 -6.922 4.477 1.00 61.31 C ATOM 237 O SER A 16 8.918 -7.817 5.309 1.00 62.54 O ATOM 238 CB SER A 16 10.715 -6.042 3.164 1.00 21.03 C ATOM 239 OG SER A 16 11.653 -6.462 4.145 1.00 64.13 O ATOM 0 H SER A 16 8.899 -5.709 1.551 1.00 14.44 H new ATOM 0 HA SER A 16 9.805 -7.982 2.949 1.00 34.10 H new ATOM 0 HB2 SER A 16 11.191 -6.036 2.184 1.00 21.03 H new ATOM 0 HB3 SER A 16 10.403 -5.019 3.373 1.00 21.03 H new ATOM 0 HG SER A 16 12.425 -5.859 4.139 1.00 64.13 H new ATOM 245 N TYR A 17 7.945 -5.896 4.688 1.00 71.01 N ATOM 246 CA TYR A 17 7.195 -5.772 5.927 1.00 24.01 C ATOM 247 C TYR A 17 6.016 -6.742 5.930 1.00 40.21 C ATOM 248 O TYR A 17 5.653 -7.297 6.970 1.00 0.41 O ATOM 249 CB TYR A 17 6.698 -4.333 6.107 1.00 34.02 C ATOM 250 CG TYR A 17 6.046 -4.077 7.448 1.00 45.32 C ATOM 251 CD1 TYR A 17 6.810 -3.751 8.562 1.00 54.34 C ATOM 252 CD2 TYR A 17 4.668 -4.170 7.604 1.00 0.42 C ATOM 253 CE1 TYR A 17 6.221 -3.523 9.790 1.00 52.44 C ATOM 254 CE2 TYR A 17 4.071 -3.945 8.829 1.00 11.42 C ATOM 255 CZ TYR A 17 4.850 -3.623 9.918 1.00 11.25 C ATOM 256 OH TYR A 17 4.259 -3.400 11.143 1.00 1.45 O ATOM 0 H TYR A 17 7.790 -5.141 4.020 1.00 71.01 H new ATOM 0 HA TYR A 17 7.854 -6.020 6.759 1.00 24.01 H new ATOM 0 HB2 TYR A 17 7.539 -3.650 5.986 1.00 34.02 H new ATOM 0 HB3 TYR A 17 5.984 -4.103 5.316 1.00 34.02 H new ATOM 0 HD1 TYR A 17 7.883 -3.675 8.466 1.00 54.34 H new ATOM 0 HD2 TYR A 17 4.053 -4.423 6.753 1.00 0.42 H new ATOM 0 HE1 TYR A 17 6.829 -3.268 10.645 1.00 52.44 H new ATOM 0 HE2 TYR A 17 2.999 -4.021 8.932 1.00 11.42 H new ATOM 0 HH TYR A 17 3.288 -3.509 11.063 1.00 1.45 H new ATOM 266 N MET A 18 5.444 -6.955 4.752 1.00 23.30 N ATOM 267 CA MET A 18 4.255 -7.781 4.604 1.00 65.21 C ATOM 268 C MET A 18 4.534 -9.231 4.972 1.00 5.44 C ATOM 269 O MET A 18 3.750 -9.851 5.691 1.00 34.24 O ATOM 270 CB MET A 18 3.714 -7.681 3.179 1.00 54.05 C ATOM 271 CG MET A 18 2.394 -8.399 2.978 1.00 21.21 C ATOM 272 SD MET A 18 1.601 -7.959 1.422 1.00 75.14 S ATOM 273 CE MET A 18 1.377 -6.199 1.677 1.00 10.21 C ATOM 0 H MET A 18 5.790 -6.562 3.877 1.00 23.30 H new ATOM 0 HA MET A 18 3.499 -7.407 5.294 1.00 65.21 H new ATOM 0 HB2 MET A 18 3.589 -6.630 2.920 1.00 54.05 H new ATOM 0 HB3 MET A 18 4.451 -8.094 2.490 1.00 54.05 H new ATOM 0 HG2 MET A 18 2.562 -9.476 3.005 1.00 21.21 H new ATOM 0 HG3 MET A 18 1.724 -8.160 3.804 1.00 21.21 H new ATOM 0 HE1 MET A 18 0.317 -5.982 1.806 1.00 10.21 H new ATOM 0 HE2 MET A 18 1.922 -5.888 2.568 1.00 10.21 H new ATOM 0 HE3 MET A 18 1.756 -5.655 0.812 1.00 10.21 H new ATOM 283 N LYS A 19 5.655 -9.768 4.503 1.00 65.41 N ATOM 284 CA LYS A 19 6.033 -11.132 4.850 1.00 71.15 C ATOM 285 C LYS A 19 6.335 -11.240 6.344 1.00 44.05 C ATOM 286 O LYS A 19 6.253 -12.316 6.928 1.00 14.31 O ATOM 287 CB LYS A 19 7.241 -11.604 4.036 1.00 33.11 C ATOM 288 CG LYS A 19 8.455 -10.697 4.152 1.00 73.11 C ATOM 289 CD LYS A 19 9.749 -11.474 3.985 1.00 54.40 C ATOM 290 CE LYS A 19 9.982 -12.406 5.164 1.00 20.22 C ATOM 291 NZ LYS A 19 11.250 -13.167 5.037 1.00 32.42 N ATOM 0 H LYS A 19 6.311 -9.286 3.888 1.00 65.41 H new ATOM 0 HA LYS A 19 5.189 -11.778 4.609 1.00 71.15 H new ATOM 0 HB2 LYS A 19 7.517 -12.607 4.362 1.00 33.11 H new ATOM 0 HB3 LYS A 19 6.954 -11.677 2.987 1.00 33.11 H new ATOM 0 HG2 LYS A 19 8.399 -9.914 3.395 1.00 73.11 H new ATOM 0 HG3 LYS A 19 8.449 -10.202 5.123 1.00 73.11 H new ATOM 0 HD2 LYS A 19 9.713 -12.052 3.062 1.00 54.40 H new ATOM 0 HD3 LYS A 19 10.585 -10.780 3.895 1.00 54.40 H new ATOM 0 HE2 LYS A 19 10.000 -11.825 6.086 1.00 20.22 H new ATOM 0 HE3 LYS A 19 9.148 -13.104 5.243 1.00 20.22 H new ATOM 0 HZ1 LYS A 19 11.366 -13.788 5.863 1.00 32.42 H new ATOM 0 HZ2 LYS A 19 11.224 -13.743 4.171 1.00 32.42 H new ATOM 0 HZ3 LYS A 19 12.050 -12.504 4.988 1.00 32.42 H new ATOM 305 N THR A 20 6.667 -10.112 6.957 1.00 41.21 N ATOM 306 CA THR A 20 6.976 -10.079 8.375 1.00 32.44 C ATOM 307 C THR A 20 5.698 -10.151 9.214 1.00 63.02 C ATOM 308 O THR A 20 5.566 -11.013 10.085 1.00 42.12 O ATOM 309 CB THR A 20 7.780 -8.814 8.736 1.00 63.42 C ATOM 310 OG1 THR A 20 8.999 -8.778 7.974 1.00 34.45 O ATOM 311 CG2 THR A 20 8.109 -8.776 10.221 1.00 32.13 C ATOM 0 H THR A 20 6.729 -9.207 6.491 1.00 41.21 H new ATOM 0 HA THR A 20 7.588 -10.952 8.601 1.00 32.44 H new ATOM 0 HB THR A 20 7.168 -7.944 8.497 1.00 63.42 H new ATOM 0 HG1 THR A 20 8.814 -8.427 7.078 1.00 34.45 H new ATOM 0 HG21 THR A 20 8.676 -7.873 10.445 1.00 32.13 H new ATOM 0 HG22 THR A 20 7.185 -8.777 10.799 1.00 32.13 H new ATOM 0 HG23 THR A 20 8.702 -9.652 10.485 1.00 32.13 H new ATOM 319 N TYR A 21 4.737 -9.272 8.934 1.00 62.11 N ATOM 320 CA TYR A 21 3.505 -9.245 9.707 1.00 14.25 C ATOM 321 C TYR A 21 2.544 -10.335 9.233 1.00 51.34 C ATOM 322 O TYR A 21 1.446 -10.483 9.767 1.00 74.55 O ATOM 323 CB TYR A 21 2.854 -7.854 9.654 1.00 25.12 C ATOM 324 CG TYR A 21 1.910 -7.603 8.491 1.00 52.53 C ATOM 325 CD1 TYR A 21 2.383 -7.164 7.264 1.00 60.20 C ATOM 326 CD2 TYR A 21 0.540 -7.787 8.636 1.00 41.04 C ATOM 327 CE1 TYR A 21 1.517 -6.920 6.211 1.00 54.52 C ATOM 328 CE2 TYR A 21 -0.330 -7.544 7.591 1.00 2.22 C ATOM 329 CZ TYR A 21 0.163 -7.112 6.380 1.00 73.42 C ATOM 330 OH TYR A 21 -0.699 -6.869 5.332 1.00 25.24 O ATOM 0 H TYR A 21 4.789 -8.579 8.187 1.00 62.11 H new ATOM 0 HA TYR A 21 3.749 -9.451 10.749 1.00 14.25 H new ATOM 0 HB2 TYR A 21 2.305 -7.697 10.582 1.00 25.12 H new ATOM 0 HB3 TYR A 21 3.646 -7.105 9.621 1.00 25.12 H new ATOM 0 HD1 TYR A 21 3.443 -7.010 7.127 1.00 60.20 H new ATOM 0 HD2 TYR A 21 0.148 -8.126 9.584 1.00 41.04 H new ATOM 0 HE1 TYR A 21 1.902 -6.580 5.261 1.00 54.52 H new ATOM 0 HE2 TYR A 21 -1.392 -7.692 7.723 1.00 2.22 H new ATOM 0 HH TYR A 21 -1.619 -7.054 5.615 1.00 25.24 H new ATOM 340 N SER A 22 2.981 -11.109 8.244 1.00 13.42 N ATOM 341 CA SER A 22 2.222 -12.254 7.746 1.00 1.50 C ATOM 342 C SER A 22 1.940 -13.249 8.870 1.00 13.23 C ATOM 343 O SER A 22 0.968 -13.998 8.821 1.00 35.42 O ATOM 344 CB SER A 22 2.994 -12.943 6.616 1.00 11.31 C ATOM 345 OG SER A 22 2.293 -14.068 6.113 1.00 73.44 O ATOM 0 H SER A 22 3.870 -10.961 7.765 1.00 13.42 H new ATOM 0 HA SER A 22 1.269 -11.893 7.360 1.00 1.50 H new ATOM 0 HB2 SER A 22 3.169 -12.232 5.808 1.00 11.31 H new ATOM 0 HB3 SER A 22 3.972 -13.257 6.982 1.00 11.31 H new ATOM 0 HG SER A 22 1.773 -13.804 5.326 1.00 73.44 H new ATOM 351 N ARG A 23 2.789 -13.240 9.891 1.00 14.53 N ATOM 352 CA ARG A 23 2.601 -14.103 11.046 1.00 10.00 C ATOM 353 C ARG A 23 1.367 -13.687 11.840 1.00 32.15 C ATOM 354 O ARG A 23 0.820 -14.464 12.618 1.00 62.41 O ATOM 355 CB ARG A 23 3.831 -14.061 11.944 1.00 75.55 C ATOM 356 CG ARG A 23 5.089 -14.610 11.287 1.00 62.43 C ATOM 357 CD ARG A 23 6.233 -14.714 12.281 1.00 54.41 C ATOM 358 NE ARG A 23 6.601 -13.416 12.843 1.00 4.32 N ATOM 359 CZ ARG A 23 6.418 -13.077 14.120 1.00 11.25 C ATOM 360 NH1 ARG A 23 5.790 -13.905 14.952 1.00 14.05 N ATOM 361 NH2 ARG A 23 6.850 -11.905 14.561 1.00 70.53 N ATOM 0 H ARG A 23 3.615 -12.643 9.940 1.00 14.53 H new ATOM 0 HA ARG A 23 2.456 -15.122 10.686 1.00 10.00 H new ATOM 0 HB2 ARG A 23 4.012 -13.030 12.249 1.00 75.55 H new ATOM 0 HB3 ARG A 23 3.627 -14.631 12.851 1.00 75.55 H new ATOM 0 HG2 ARG A 23 4.881 -15.593 10.865 1.00 62.43 H new ATOM 0 HG3 ARG A 23 5.381 -13.963 10.460 1.00 62.43 H new ATOM 0 HD2 ARG A 23 5.949 -15.389 13.088 1.00 54.41 H new ATOM 0 HD3 ARG A 23 7.101 -15.153 11.788 1.00 54.41 H new ATOM 0 HE ARG A 23 7.024 -12.727 12.221 1.00 4.32 H new ATOM 0 HH11 ARG A 23 5.446 -14.804 14.614 1.00 14.05 H new ATOM 0 HH12 ARG A 23 5.653 -13.641 15.928 1.00 14.05 H new ATOM 0 HH21 ARG A 23 7.322 -11.263 13.924 1.00 70.53 H new ATOM 0 HH22 ARG A 23 6.711 -11.645 15.537 1.00 70.53 H new ATOM 375 N ARG A 24 0.937 -12.453 11.632 1.00 73.44 N ATOM 376 CA ARG A 24 -0.241 -11.922 12.301 1.00 71.30 C ATOM 377 C ARG A 24 -1.386 -11.772 11.305 1.00 43.23 C ATOM 378 O ARG A 24 -2.393 -11.124 11.593 1.00 22.10 O ATOM 379 CB ARG A 24 0.070 -10.561 12.925 1.00 20.04 C ATOM 380 CG ARG A 24 1.295 -10.560 13.822 1.00 73.41 C ATOM 381 CD ARG A 24 1.569 -9.172 14.380 1.00 54.21 C ATOM 382 NE ARG A 24 2.865 -9.100 15.053 1.00 72.23 N ATOM 383 CZ ARG A 24 3.624 -8.006 15.092 1.00 4.34 C ATOM 384 NH1 ARG A 24 3.186 -6.869 14.564 1.00 64.15 N ATOM 385 NH2 ARG A 24 4.816 -8.045 15.674 1.00 73.10 N ATOM 0 H ARG A 24 1.391 -11.794 10.999 1.00 73.44 H new ATOM 0 HA ARG A 24 -0.533 -12.618 13.088 1.00 71.30 H new ATOM 0 HB2 ARG A 24 0.215 -9.832 12.128 1.00 20.04 H new ATOM 0 HB3 ARG A 24 -0.793 -10.233 13.505 1.00 20.04 H new ATOM 0 HG2 ARG A 24 1.148 -11.262 14.643 1.00 73.41 H new ATOM 0 HG3 ARG A 24 2.162 -10.905 13.258 1.00 73.41 H new ATOM 0 HD2 ARG A 24 1.540 -8.443 13.570 1.00 54.21 H new ATOM 0 HD3 ARG A 24 0.780 -8.901 15.082 1.00 54.21 H new ATOM 0 HE ARG A 24 3.209 -9.938 15.521 1.00 72.23 H new ATOM 0 HH11 ARG A 24 2.265 -6.831 14.127 1.00 64.15 H new ATOM 0 HH12 ARG A 24 3.770 -6.033 14.596 1.00 64.15 H new ATOM 0 HH21 ARG A 24 5.151 -8.913 16.092 1.00 73.10 H new ATOM 0 HH22 ARG A 24 5.397 -7.207 15.704 1.00 73.10 H new ATOM 399 N LEU A 25 -1.230 -12.374 10.137 1.00 62.40 N ATOM 400 CA LEU A 25 -2.222 -12.250 9.083 1.00 44.35 C ATOM 401 C LEU A 25 -2.647 -13.625 8.592 1.00 11.34 C ATOM 402 O LEU A 25 -1.827 -14.543 8.499 1.00 63.34 O ATOM 403 CB LEU A 25 -1.656 -11.440 7.909 1.00 71.22 C ATOM 404 CG LEU A 25 -2.694 -10.857 6.953 1.00 4.42 C ATOM 405 CD1 LEU A 25 -3.565 -9.836 7.670 1.00 62.01 C ATOM 406 CD2 LEU A 25 -2.007 -10.224 5.752 1.00 21.51 C ATOM 0 H LEU A 25 -0.426 -12.953 9.896 1.00 62.40 H new ATOM 0 HA LEU A 25 -3.090 -11.731 9.490 1.00 44.35 H new ATOM 0 HB2 LEU A 25 -1.057 -10.622 8.310 1.00 71.22 H new ATOM 0 HB3 LEU A 25 -0.982 -12.080 7.340 1.00 71.22 H new ATOM 0 HG LEU A 25 -3.335 -11.665 6.600 1.00 4.42 H new ATOM 0 HD11 LEU A 25 -4.299 -9.431 6.973 1.00 62.01 H new ATOM 0 HD12 LEU A 25 -4.080 -10.317 8.501 1.00 62.01 H new ATOM 0 HD13 LEU A 25 -2.940 -9.027 8.050 1.00 62.01 H new ATOM 0 HD21 LEU A 25 -2.758 -9.812 5.078 1.00 21.51 H new ATOM 0 HD22 LEU A 25 -1.346 -9.426 6.090 1.00 21.51 H new ATOM 0 HD23 LEU A 25 -1.424 -10.980 5.226 1.00 21.51 H new ATOM 418 N GLU A 26 -3.929 -13.769 8.304 1.00 32.41 N ATOM 419 CA GLU A 26 -4.450 -14.979 7.708 1.00 13.12 C ATOM 420 C GLU A 26 -3.819 -15.193 6.337 1.00 72.21 C ATOM 421 O GLU A 26 -3.461 -14.234 5.650 1.00 63.35 O ATOM 422 CB GLU A 26 -5.963 -14.858 7.582 1.00 3.51 C ATOM 423 CG GLU A 26 -6.723 -16.125 7.907 1.00 34.12 C ATOM 424 CD GLU A 26 -6.519 -17.215 6.879 1.00 41.41 C ATOM 425 OE1 GLU A 26 -7.274 -17.248 5.883 1.00 55.34 O ATOM 426 OE2 GLU A 26 -5.596 -18.035 7.056 1.00 73.31 O ATOM 0 H GLU A 26 -4.633 -13.051 8.477 1.00 32.41 H new ATOM 0 HA GLU A 26 -4.208 -15.836 8.337 1.00 13.12 H new ATOM 0 HB2 GLU A 26 -6.308 -14.063 8.243 1.00 3.51 H new ATOM 0 HB3 GLU A 26 -6.207 -14.554 6.564 1.00 3.51 H new ATOM 0 HG2 GLU A 26 -6.408 -16.491 8.884 1.00 34.12 H new ATOM 0 HG3 GLU A 26 -7.786 -15.896 7.980 1.00 34.12 H new ATOM 433 N ILE A 27 -3.706 -16.444 5.939 1.00 15.45 N ATOM 434 CA ILE A 27 -3.073 -16.789 4.675 1.00 12.01 C ATOM 435 C ILE A 27 -3.911 -16.295 3.507 1.00 3.34 C ATOM 436 O ILE A 27 -3.380 -15.754 2.543 1.00 50.02 O ATOM 437 CB ILE A 27 -2.855 -18.312 4.534 1.00 43.40 C ATOM 438 CG1 ILE A 27 -1.969 -18.828 5.666 1.00 33.22 C ATOM 439 CG2 ILE A 27 -2.234 -18.645 3.181 1.00 40.14 C ATOM 440 CD1 ILE A 27 -1.715 -20.319 5.610 1.00 74.23 C ATOM 0 H ILE A 27 -4.045 -17.244 6.473 1.00 15.45 H new ATOM 0 HA ILE A 27 -2.099 -16.301 4.665 1.00 12.01 H new ATOM 0 HB ILE A 27 -3.825 -18.805 4.596 1.00 43.40 H new ATOM 0 HG12 ILE A 27 -1.013 -18.304 5.635 1.00 33.22 H new ATOM 0 HG13 ILE A 27 -2.435 -18.584 6.620 1.00 33.22 H new ATOM 0 HG21 ILE A 27 -2.089 -19.722 3.103 1.00 40.14 H new ATOM 0 HG22 ILE A 27 -2.897 -18.309 2.384 1.00 40.14 H new ATOM 0 HG23 ILE A 27 -1.272 -18.142 3.089 1.00 40.14 H new ATOM 0 HD11 ILE A 27 -1.079 -20.611 6.445 1.00 74.23 H new ATOM 0 HD12 ILE A 27 -2.664 -20.852 5.673 1.00 74.23 H new ATOM 0 HD13 ILE A 27 -1.220 -20.569 4.672 1.00 74.23 H new ATOM 452 N GLY A 28 -5.222 -16.466 3.615 1.00 61.44 N ATOM 453 CA GLY A 28 -6.120 -16.077 2.543 1.00 61.11 C ATOM 454 C GLY A 28 -6.020 -14.605 2.195 1.00 52.22 C ATOM 455 O GLY A 28 -6.013 -14.237 1.020 1.00 24.14 O ATOM 0 H GLY A 28 -5.683 -16.870 4.431 1.00 61.44 H new ATOM 0 HA2 GLY A 28 -5.898 -16.671 1.656 1.00 61.11 H new ATOM 0 HA3 GLY A 28 -7.145 -16.308 2.833 1.00 61.11 H new ATOM 459 N THR A 29 -5.931 -13.757 3.213 1.00 74.03 N ATOM 460 CA THR A 29 -5.846 -12.324 2.991 1.00 52.54 C ATOM 461 C THR A 29 -4.427 -11.921 2.568 1.00 5.44 C ATOM 462 O THR A 29 -4.260 -11.096 1.669 1.00 53.33 O ATOM 463 CB THR A 29 -6.316 -11.525 4.232 1.00 30.10 C ATOM 464 OG1 THR A 29 -6.207 -10.116 4.002 1.00 63.32 O ATOM 465 CG2 THR A 29 -5.532 -11.902 5.476 1.00 32.24 C ATOM 0 H THR A 29 -5.916 -14.037 4.194 1.00 74.03 H new ATOM 0 HA THR A 29 -6.523 -12.074 2.175 1.00 52.54 H new ATOM 0 HB THR A 29 -7.362 -11.782 4.398 1.00 30.10 H new ATOM 0 HG1 THR A 29 -6.510 -9.630 4.797 1.00 63.32 H new ATOM 0 HG21 THR A 29 -5.892 -11.319 6.324 1.00 32.24 H new ATOM 0 HG22 THR A 29 -5.666 -12.964 5.682 1.00 32.24 H new ATOM 0 HG23 THR A 29 -4.474 -11.694 5.316 1.00 32.24 H new ATOM 473 N PHE A 30 -3.408 -12.521 3.190 1.00 71.52 N ATOM 474 CA PHE A 30 -2.021 -12.310 2.773 1.00 61.42 C ATOM 475 C PHE A 30 -1.852 -12.660 1.295 1.00 41.53 C ATOM 476 O PHE A 30 -1.361 -11.854 0.502 1.00 12.12 O ATOM 477 CB PHE A 30 -1.074 -13.162 3.625 1.00 15.54 C ATOM 478 CG PHE A 30 0.370 -13.058 3.223 1.00 34.13 C ATOM 479 CD1 PHE A 30 1.104 -11.918 3.510 1.00 1.24 C ATOM 480 CD2 PHE A 30 0.993 -14.100 2.554 1.00 40.10 C ATOM 481 CE1 PHE A 30 2.431 -11.821 3.139 1.00 70.35 C ATOM 482 CE2 PHE A 30 2.320 -14.006 2.181 1.00 22.30 C ATOM 483 CZ PHE A 30 3.040 -12.865 2.474 1.00 43.13 C ATOM 0 H PHE A 30 -3.518 -13.155 3.982 1.00 71.52 H new ATOM 0 HA PHE A 30 -1.773 -11.258 2.916 1.00 61.42 H new ATOM 0 HB2 PHE A 30 -1.172 -12.863 4.669 1.00 15.54 H new ATOM 0 HB3 PHE A 30 -1.384 -14.205 3.562 1.00 15.54 H new ATOM 0 HD1 PHE A 30 0.633 -11.096 4.029 1.00 1.24 H new ATOM 0 HD2 PHE A 30 0.435 -14.995 2.322 1.00 40.10 H new ATOM 0 HE1 PHE A 30 2.992 -10.927 3.370 1.00 70.35 H new ATOM 0 HE2 PHE A 30 2.794 -14.825 1.660 1.00 22.30 H new ATOM 0 HZ PHE A 30 4.077 -12.790 2.183 1.00 43.13 H new ATOM 493 N ARG A 31 -2.291 -13.864 0.941 1.00 43.33 N ATOM 494 CA ARG A 31 -2.261 -14.354 -0.434 1.00 31.21 C ATOM 495 C ARG A 31 -2.980 -13.400 -1.381 1.00 33.22 C ATOM 496 O ARG A 31 -2.567 -13.211 -2.524 1.00 0.53 O ATOM 497 CB ARG A 31 -2.939 -15.723 -0.487 1.00 0.34 C ATOM 498 CG ARG A 31 -2.574 -16.560 -1.694 1.00 74.42 C ATOM 499 CD ARG A 31 -3.399 -17.836 -1.735 1.00 50.12 C ATOM 500 NE ARG A 31 -3.587 -18.312 -3.102 1.00 32.23 N ATOM 501 CZ ARG A 31 -4.720 -18.165 -3.787 1.00 61.35 C ATOM 502 NH1 ARG A 31 -5.783 -17.620 -3.208 1.00 12.42 N ATOM 503 NH2 ARG A 31 -4.798 -18.577 -5.043 1.00 35.11 N ATOM 0 H ARG A 31 -2.681 -14.533 1.605 1.00 43.33 H new ATOM 0 HA ARG A 31 -1.221 -14.427 -0.752 1.00 31.21 H new ATOM 0 HB2 ARG A 31 -2.680 -16.277 0.415 1.00 0.34 H new ATOM 0 HB3 ARG A 31 -4.019 -15.580 -0.474 1.00 0.34 H new ATOM 0 HG2 ARG A 31 -2.740 -15.985 -2.605 1.00 74.42 H new ATOM 0 HG3 ARG A 31 -1.513 -16.808 -1.663 1.00 74.42 H new ATOM 0 HD2 ARG A 31 -2.905 -18.608 -1.145 1.00 50.12 H new ATOM 0 HD3 ARG A 31 -4.371 -17.656 -1.275 1.00 50.12 H new ATOM 0 HE ARG A 31 -2.807 -18.784 -3.559 1.00 32.23 H new ATOM 0 HH11 ARG A 31 -5.733 -17.313 -2.237 1.00 12.42 H new ATOM 0 HH12 ARG A 31 -6.649 -17.508 -3.734 1.00 12.42 H new ATOM 0 HH21 ARG A 31 -3.989 -19.009 -5.489 1.00 35.11 H new ATOM 0 HH22 ARG A 31 -5.667 -18.463 -5.564 1.00 35.11 H new ATOM 517 N HIS A 32 -4.039 -12.786 -0.876 1.00 44.55 N ATOM 518 CA HIS A 32 -4.931 -11.970 -1.685 1.00 45.45 C ATOM 519 C HIS A 32 -4.256 -10.685 -2.176 1.00 1.43 C ATOM 520 O HIS A 32 -4.744 -10.047 -3.111 1.00 23.30 O ATOM 521 CB HIS A 32 -6.186 -11.636 -0.871 1.00 61.34 C ATOM 522 CG HIS A 32 -7.296 -11.035 -1.670 1.00 41.30 C ATOM 523 ND1 HIS A 32 -7.887 -9.837 -1.347 1.00 61.24 N ATOM 524 CD2 HIS A 32 -7.937 -11.485 -2.773 1.00 1.44 C ATOM 525 CE1 HIS A 32 -8.842 -9.574 -2.218 1.00 14.22 C ATOM 526 NE2 HIS A 32 -8.894 -10.558 -3.094 1.00 14.53 N ATOM 0 H HIS A 32 -4.304 -12.840 0.107 1.00 44.55 H new ATOM 0 HA HIS A 32 -5.203 -12.543 -2.572 1.00 45.45 H new ATOM 0 HB2 HIS A 32 -6.549 -12.547 -0.395 1.00 61.34 H new ATOM 0 HB3 HIS A 32 -5.914 -10.946 -0.073 1.00 61.34 H new ATOM 0 HD2 HIS A 32 -7.733 -12.404 -3.302 1.00 1.44 H new ATOM 0 HE1 HIS A 32 -9.475 -8.699 -2.214 1.00 14.22 H new ATOM 0 HE2 HIS A 32 -9.540 -10.619 -3.881 1.00 14.53 H new ATOM 535 N HIS A 33 -3.141 -10.302 -1.559 1.00 75.21 N ATOM 536 CA HIS A 33 -2.468 -9.060 -1.937 1.00 13.34 C ATOM 537 C HIS A 33 -0.947 -9.172 -1.836 1.00 60.11 C ATOM 538 O HIS A 33 -0.265 -8.175 -1.604 1.00 35.13 O ATOM 539 CB HIS A 33 -2.961 -7.889 -1.069 1.00 63.01 C ATOM 540 CG HIS A 33 -2.758 -8.066 0.413 1.00 34.25 C ATOM 541 ND1 HIS A 33 -1.516 -8.127 1.006 1.00 62.14 N ATOM 542 CD2 HIS A 33 -3.655 -8.177 1.422 1.00 52.24 C ATOM 543 CE1 HIS A 33 -1.658 -8.269 2.312 1.00 60.21 C ATOM 544 NE2 HIS A 33 -2.945 -8.301 2.593 1.00 71.12 N ATOM 0 H HIS A 33 -2.689 -10.823 -0.807 1.00 75.21 H new ATOM 0 HA HIS A 33 -2.720 -8.870 -2.980 1.00 13.34 H new ATOM 0 HB2 HIS A 33 -2.448 -6.981 -1.385 1.00 63.01 H new ATOM 0 HB3 HIS A 33 -4.023 -7.737 -1.259 1.00 63.01 H new ATOM 0 HD1 HIS A 33 -0.625 -8.071 0.513 1.00 62.14 H new ATOM 0 HD2 HIS A 33 -4.731 -8.169 1.325 1.00 52.24 H new ATOM 0 HE1 HIS A 33 -0.854 -8.346 3.029 1.00 60.21 H new ATOM 553 N LYS A 34 -0.410 -10.370 -2.018 1.00 3.02 N ATOM 554 CA LYS A 34 1.025 -10.567 -1.920 1.00 52.22 C ATOM 555 C LYS A 34 1.714 -10.395 -3.273 1.00 73.01 C ATOM 556 O LYS A 34 2.845 -9.915 -3.349 1.00 53.21 O ATOM 557 CB LYS A 34 1.323 -11.952 -1.353 1.00 25.40 C ATOM 558 CG LYS A 34 0.825 -13.107 -2.207 1.00 13.31 C ATOM 559 CD LYS A 34 1.294 -14.447 -1.656 1.00 22.12 C ATOM 560 CE LYS A 34 2.814 -14.538 -1.621 1.00 60.24 C ATOM 561 NZ LYS A 34 3.292 -15.856 -1.121 1.00 3.44 N ATOM 0 H LYS A 34 -0.943 -11.213 -2.233 1.00 3.02 H new ATOM 0 HA LYS A 34 1.420 -9.805 -1.248 1.00 52.22 H new ATOM 0 HB2 LYS A 34 2.400 -12.052 -1.222 1.00 25.40 H new ATOM 0 HB3 LYS A 34 0.873 -12.029 -0.363 1.00 25.40 H new ATOM 0 HG2 LYS A 34 -0.264 -13.089 -2.247 1.00 13.31 H new ATOM 0 HG3 LYS A 34 1.183 -12.987 -3.229 1.00 13.31 H new ATOM 0 HD2 LYS A 34 0.897 -14.586 -0.650 1.00 22.12 H new ATOM 0 HD3 LYS A 34 0.895 -15.254 -2.271 1.00 22.12 H new ATOM 0 HE2 LYS A 34 3.209 -14.368 -2.623 1.00 60.24 H new ATOM 0 HE3 LYS A 34 3.208 -13.746 -0.984 1.00 60.24 H new ATOM 0 HZ1 LYS A 34 4.332 -15.869 -1.116 1.00 3.44 H new ATOM 0 HZ2 LYS A 34 2.939 -16.010 -0.155 1.00 3.44 H new ATOM 0 HZ3 LYS A 34 2.940 -16.612 -1.743 1.00 3.44 H new ATOM 575 N SER A 35 1.021 -10.783 -4.331 1.00 72.15 N ATOM 576 CA SER A 35 1.599 -10.785 -5.675 1.00 10.34 C ATOM 577 C SER A 35 1.580 -9.391 -6.306 1.00 13.14 C ATOM 578 O SER A 35 2.357 -9.108 -7.221 1.00 55.13 O ATOM 579 CB SER A 35 0.816 -11.751 -6.564 1.00 61.31 C ATOM 580 OG SER A 35 0.514 -12.953 -5.872 1.00 20.51 O ATOM 0 H SER A 35 0.053 -11.103 -4.290 1.00 72.15 H new ATOM 0 HA SER A 35 2.638 -11.102 -5.590 1.00 10.34 H new ATOM 0 HB2 SER A 35 -0.108 -11.277 -6.896 1.00 61.31 H new ATOM 0 HB3 SER A 35 1.396 -11.979 -7.458 1.00 61.31 H new ATOM 0 HG SER A 35 0.012 -13.553 -6.462 1.00 20.51 H new ATOM 586 N CYS A 36 0.703 -8.530 -5.795 1.00 1.43 N ATOM 587 CA CYS A 36 0.443 -7.219 -6.389 1.00 12.24 C ATOM 588 C CYS A 36 1.721 -6.414 -6.640 1.00 65.32 C ATOM 589 O CYS A 36 2.037 -6.080 -7.785 1.00 51.01 O ATOM 590 CB CYS A 36 -0.495 -6.426 -5.481 1.00 64.43 C ATOM 591 SG CYS A 36 -2.066 -7.249 -5.139 1.00 34.53 S ATOM 0 H CYS A 36 0.152 -8.720 -4.958 1.00 1.43 H new ATOM 0 HA CYS A 36 -0.020 -7.392 -7.361 1.00 12.24 H new ATOM 0 HB2 CYS A 36 0.012 -6.229 -4.537 1.00 64.43 H new ATOM 0 HB3 CYS A 36 -0.697 -5.459 -5.942 1.00 64.43 H new ATOM 0 HG CYS A 36 -3.038 -6.392 -5.249 1.00 34.53 H new ATOM 597 N MET A 37 2.447 -6.108 -5.572 1.00 55.01 N ATOM 598 CA MET A 37 3.630 -5.254 -5.661 1.00 15.00 C ATOM 599 C MET A 37 4.702 -5.874 -6.551 1.00 33.02 C ATOM 600 O MET A 37 5.388 -5.172 -7.292 1.00 62.05 O ATOM 601 CB MET A 37 4.217 -4.989 -4.269 1.00 4.13 C ATOM 602 CG MET A 37 3.243 -4.346 -3.292 1.00 72.55 C ATOM 603 SD MET A 37 2.001 -5.501 -2.674 1.00 74.15 S ATOM 604 CE MET A 37 3.028 -6.624 -1.729 1.00 0.41 C ATOM 0 H MET A 37 2.238 -6.439 -4.630 1.00 55.01 H new ATOM 0 HA MET A 37 3.311 -4.311 -6.105 1.00 15.00 H new ATOM 0 HB2 MET A 37 4.566 -5.932 -3.849 1.00 4.13 H new ATOM 0 HB3 MET A 37 5.090 -4.344 -4.372 1.00 4.13 H new ATOM 0 HG2 MET A 37 3.800 -3.934 -2.450 1.00 72.55 H new ATOM 0 HG3 MET A 37 2.743 -3.511 -3.782 1.00 72.55 H new ATOM 0 HE1 MET A 37 2.397 -7.346 -1.210 1.00 0.41 H new ATOM 0 HE2 MET A 37 3.705 -7.151 -2.401 1.00 0.41 H new ATOM 0 HE3 MET A 37 3.608 -6.059 -0.999 1.00 0.41 H new ATOM 614 N ARG A 38 4.822 -7.194 -6.489 1.00 34.32 N ATOM 615 CA ARG A 38 5.874 -7.899 -7.201 1.00 53.41 C ATOM 616 C ARG A 38 5.640 -7.862 -8.705 1.00 52.52 C ATOM 617 O ARG A 38 6.547 -7.545 -9.474 1.00 52.45 O ATOM 618 CB ARG A 38 5.950 -9.346 -6.731 1.00 22.30 C ATOM 619 CG ARG A 38 7.336 -9.955 -6.873 1.00 4.32 C ATOM 620 CD ARG A 38 8.293 -9.453 -5.795 1.00 11.31 C ATOM 621 NE ARG A 38 8.542 -8.008 -5.870 1.00 51.53 N ATOM 622 CZ ARG A 38 9.263 -7.331 -4.973 1.00 54.30 C ATOM 623 NH1 ARG A 38 9.794 -7.959 -3.931 1.00 21.11 N ATOM 624 NH2 ARG A 38 9.449 -6.024 -5.106 1.00 22.54 N ATOM 0 H ARG A 38 4.200 -7.797 -5.951 1.00 34.32 H new ATOM 0 HA ARG A 38 6.817 -7.397 -6.985 1.00 53.41 H new ATOM 0 HB2 ARG A 38 5.644 -9.397 -5.686 1.00 22.30 H new ATOM 0 HB3 ARG A 38 5.239 -9.943 -7.301 1.00 22.30 H new ATOM 0 HG2 ARG A 38 7.263 -11.041 -6.816 1.00 4.32 H new ATOM 0 HG3 ARG A 38 7.739 -9.714 -7.857 1.00 4.32 H new ATOM 0 HD2 ARG A 38 7.884 -9.694 -4.814 1.00 11.31 H new ATOM 0 HD3 ARG A 38 9.241 -9.984 -5.884 1.00 11.31 H new ATOM 0 HE ARG A 38 8.141 -7.491 -6.653 1.00 51.53 H new ATOM 0 HH11 ARG A 38 9.652 -8.962 -3.813 1.00 21.11 H new ATOM 0 HH12 ARG A 38 10.344 -7.438 -3.248 1.00 21.11 H new ATOM 0 HH21 ARG A 38 9.040 -5.529 -5.898 1.00 22.54 H new ATOM 0 HH22 ARG A 38 10.001 -5.515 -4.416 1.00 22.54 H new ATOM 638 N LYS A 39 4.417 -8.173 -9.114 1.00 14.23 N ATOM 639 CA LYS A 39 4.072 -8.245 -10.523 1.00 50.53 C ATOM 640 C LYS A 39 4.122 -6.859 -11.159 1.00 4.10 C ATOM 641 O LYS A 39 4.421 -6.717 -12.349 1.00 30.31 O ATOM 642 CB LYS A 39 2.685 -8.884 -10.669 1.00 44.44 C ATOM 643 CG LYS A 39 2.127 -8.875 -12.082 1.00 4.11 C ATOM 644 CD LYS A 39 1.330 -7.612 -12.354 1.00 54.45 C ATOM 645 CE LYS A 39 0.001 -7.618 -11.616 1.00 43.11 C ATOM 646 NZ LYS A 39 -0.950 -8.604 -12.192 1.00 61.45 N ATOM 0 H LYS A 39 3.644 -8.381 -8.482 1.00 14.23 H new ATOM 0 HA LYS A 39 4.798 -8.865 -11.048 1.00 50.53 H new ATOM 0 HB2 LYS A 39 2.737 -9.915 -10.320 1.00 44.44 H new ATOM 0 HB3 LYS A 39 1.988 -8.360 -10.014 1.00 44.44 H new ATOM 0 HG2 LYS A 39 2.945 -8.952 -12.798 1.00 4.11 H new ATOM 0 HG3 LYS A 39 1.491 -9.748 -12.229 1.00 4.11 H new ATOM 0 HD2 LYS A 39 1.912 -6.742 -12.050 1.00 54.45 H new ATOM 0 HD3 LYS A 39 1.151 -7.518 -13.425 1.00 54.45 H new ATOM 0 HE2 LYS A 39 0.171 -7.850 -10.565 1.00 43.11 H new ATOM 0 HE3 LYS A 39 -0.441 -6.622 -11.656 1.00 43.11 H new ATOM 0 HZ1 LYS A 39 -1.900 -8.439 -11.802 1.00 61.45 H new ATOM 0 HZ2 LYS A 39 -0.977 -8.497 -13.226 1.00 61.45 H new ATOM 0 HZ3 LYS A 39 -0.639 -9.567 -11.952 1.00 61.45 H new ATOM 660 N PHE A 40 3.834 -5.846 -10.356 1.00 74.42 N ATOM 661 CA PHE A 40 3.869 -4.467 -10.819 1.00 43.43 C ATOM 662 C PHE A 40 5.286 -4.078 -11.231 1.00 63.13 C ATOM 663 O PHE A 40 5.469 -3.291 -12.162 1.00 41.43 O ATOM 664 CB PHE A 40 3.358 -3.535 -9.712 1.00 71.42 C ATOM 665 CG PHE A 40 3.365 -2.076 -10.080 1.00 2.51 C ATOM 666 CD1 PHE A 40 2.377 -1.545 -10.892 1.00 53.15 C ATOM 667 CD2 PHE A 40 4.360 -1.234 -9.604 1.00 41.55 C ATOM 668 CE1 PHE A 40 2.380 -0.204 -11.225 1.00 41.53 C ATOM 669 CE2 PHE A 40 4.369 0.107 -9.934 1.00 75.43 C ATOM 670 CZ PHE A 40 3.376 0.622 -10.747 1.00 71.10 C ATOM 0 H PHE A 40 3.572 -5.954 -9.376 1.00 74.42 H new ATOM 0 HA PHE A 40 3.222 -4.370 -11.691 1.00 43.43 H new ATOM 0 HB2 PHE A 40 2.341 -3.826 -9.448 1.00 71.42 H new ATOM 0 HB3 PHE A 40 3.971 -3.676 -8.822 1.00 71.42 H new ATOM 0 HD1 PHE A 40 1.595 -2.187 -11.270 1.00 53.15 H new ATOM 0 HD2 PHE A 40 5.137 -1.632 -8.968 1.00 41.55 H new ATOM 0 HE1 PHE A 40 1.603 0.197 -11.859 1.00 41.53 H new ATOM 0 HE2 PHE A 40 5.150 0.752 -9.558 1.00 75.43 H new ATOM 0 HZ PHE A 40 3.380 1.670 -11.008 1.00 71.10 H new ATOM 680 N LYS A 41 6.271 -4.680 -10.560 1.00 15.24 N ATOM 681 CA LYS A 41 7.679 -4.313 -10.724 1.00 32.33 C ATOM 682 C LYS A 41 7.859 -2.816 -10.507 1.00 50.23 C ATOM 683 O LYS A 41 7.763 -2.015 -11.440 1.00 30.11 O ATOM 684 CB LYS A 41 8.217 -4.728 -12.099 1.00 71.44 C ATOM 685 CG LYS A 41 8.207 -6.231 -12.336 1.00 61.32 C ATOM 686 CD LYS A 41 8.947 -6.598 -13.613 1.00 45.53 C ATOM 687 CE LYS A 41 10.418 -6.228 -13.520 1.00 23.40 C ATOM 688 NZ LYS A 41 11.151 -6.495 -14.786 1.00 34.44 N ATOM 0 H LYS A 41 6.115 -5.433 -9.890 1.00 15.24 H new ATOM 0 HA LYS A 41 8.255 -4.853 -9.973 1.00 32.33 H new ATOM 0 HB2 LYS A 41 7.621 -4.244 -12.873 1.00 71.44 H new ATOM 0 HB3 LYS A 41 9.237 -4.360 -12.205 1.00 71.44 H new ATOM 0 HG2 LYS A 41 8.669 -6.737 -11.488 1.00 61.32 H new ATOM 0 HG3 LYS A 41 7.178 -6.584 -12.396 1.00 61.32 H new ATOM 0 HD2 LYS A 41 8.849 -7.668 -13.799 1.00 45.53 H new ATOM 0 HD3 LYS A 41 8.493 -6.084 -14.460 1.00 45.53 H new ATOM 0 HE2 LYS A 41 10.509 -5.172 -13.267 1.00 23.40 H new ATOM 0 HE3 LYS A 41 10.881 -6.791 -12.710 1.00 23.40 H new ATOM 0 HZ1 LYS A 41 11.872 -7.227 -14.622 1.00 34.44 H new ATOM 0 HZ2 LYS A 41 10.482 -6.824 -15.511 1.00 34.44 H new ATOM 0 HZ3 LYS A 41 11.612 -5.621 -15.111 1.00 34.44 H new ATOM 702 N GLU A 42 8.116 -2.445 -9.267 1.00 24.52 N ATOM 703 CA GLU A 42 8.118 -1.050 -8.874 1.00 33.43 C ATOM 704 C GLU A 42 9.359 -0.309 -9.365 1.00 35.30 C ATOM 705 O GLU A 42 10.478 -0.563 -8.921 1.00 31.25 O ATOM 706 CB GLU A 42 7.978 -0.909 -7.353 1.00 70.34 C ATOM 707 CG GLU A 42 9.028 -1.652 -6.531 1.00 12.01 C ATOM 708 CD GLU A 42 8.765 -3.140 -6.425 1.00 51.42 C ATOM 709 OE1 GLU A 42 7.996 -3.539 -5.536 1.00 62.22 O ATOM 710 OE2 GLU A 42 9.336 -3.910 -7.226 1.00 40.32 O ATOM 0 H GLU A 42 8.327 -3.096 -8.511 1.00 24.52 H new ATOM 0 HA GLU A 42 7.254 -0.588 -9.352 1.00 33.43 H new ATOM 0 HB2 GLU A 42 8.022 0.150 -7.097 1.00 70.34 H new ATOM 0 HB3 GLU A 42 6.991 -1.267 -7.061 1.00 70.34 H new ATOM 0 HG2 GLU A 42 10.009 -1.495 -6.980 1.00 12.01 H new ATOM 0 HG3 GLU A 42 9.064 -1.224 -5.529 1.00 12.01 H new ATOM 717 N TYR A 43 9.140 0.598 -10.306 1.00 50.22 N ATOM 718 CA TYR A 43 10.170 1.539 -10.728 1.00 43.32 C ATOM 719 C TYR A 43 9.818 2.924 -10.202 1.00 61.12 C ATOM 720 O TYR A 43 10.372 3.936 -10.628 1.00 52.02 O ATOM 721 CB TYR A 43 10.291 1.558 -12.254 1.00 32.04 C ATOM 722 CG TYR A 43 10.693 0.228 -12.849 1.00 22.33 C ATOM 723 CD1 TYR A 43 12.019 -0.189 -12.835 1.00 23.13 C ATOM 724 CD2 TYR A 43 9.747 -0.615 -13.417 1.00 32.23 C ATOM 725 CE1 TYR A 43 12.389 -1.407 -13.373 1.00 63.53 C ATOM 726 CE2 TYR A 43 10.109 -1.835 -13.954 1.00 53.12 C ATOM 727 CZ TYR A 43 11.431 -2.226 -13.930 1.00 1.21 C ATOM 728 OH TYR A 43 11.795 -3.440 -14.467 1.00 12.11 O ATOM 0 H TYR A 43 8.251 0.703 -10.796 1.00 50.22 H new ATOM 0 HA TYR A 43 11.133 1.229 -10.322 1.00 43.32 H new ATOM 0 HB2 TYR A 43 9.336 1.863 -12.681 1.00 32.04 H new ATOM 0 HB3 TYR A 43 11.024 2.311 -12.542 1.00 32.04 H new ATOM 0 HD1 TYR A 43 12.772 0.449 -12.397 1.00 23.13 H new ATOM 0 HD2 TYR A 43 8.711 -0.312 -13.439 1.00 32.23 H new ATOM 0 HE1 TYR A 43 13.424 -1.715 -13.357 1.00 63.53 H new ATOM 0 HE2 TYR A 43 9.360 -2.479 -14.391 1.00 53.12 H new ATOM 0 HH TYR A 43 12.579 -3.786 -13.991 1.00 12.11 H new ATOM 738 N CYS A 44 8.878 2.935 -9.261 1.00 3.33 N ATOM 739 CA CYS A 44 8.392 4.157 -8.635 1.00 55.55 C ATOM 740 C CYS A 44 9.519 4.858 -7.883 1.00 4.42 C ATOM 741 O CYS A 44 9.979 4.375 -6.843 1.00 53.25 O ATOM 742 CB CYS A 44 7.240 3.810 -7.684 1.00 53.21 C ATOM 743 SG CYS A 44 6.518 5.207 -6.796 1.00 20.25 S ATOM 0 H CYS A 44 8.430 2.089 -8.910 1.00 3.33 H new ATOM 0 HA CYS A 44 8.030 4.839 -9.404 1.00 55.55 H new ATOM 0 HB2 CYS A 44 6.453 3.321 -8.258 1.00 53.21 H new ATOM 0 HB3 CYS A 44 7.600 3.085 -6.954 1.00 53.21 H new ATOM 0 HG CYS A 44 5.557 4.784 -6.030 1.00 20.25 H new ATOM 749 N GLU A 45 9.957 5.988 -8.423 1.00 11.42 N ATOM 750 CA GLU A 45 11.079 6.730 -7.871 1.00 73.34 C ATOM 751 C GLU A 45 10.768 8.223 -7.840 1.00 51.21 C ATOM 752 O GLU A 45 10.220 8.772 -8.800 1.00 22.34 O ATOM 753 CB GLU A 45 12.333 6.476 -8.716 1.00 63.03 C ATOM 754 CG GLU A 45 13.583 7.171 -8.196 1.00 72.43 C ATOM 755 CD GLU A 45 14.779 6.962 -9.101 1.00 1.24 C ATOM 756 OE1 GLU A 45 15.463 5.927 -8.965 1.00 20.35 O ATOM 757 OE2 GLU A 45 15.045 7.836 -9.955 1.00 71.14 O ATOM 0 H GLU A 45 9.545 6.414 -9.253 1.00 11.42 H new ATOM 0 HA GLU A 45 11.256 6.391 -6.850 1.00 73.34 H new ATOM 0 HB2 GLU A 45 12.518 5.403 -8.759 1.00 63.03 H new ATOM 0 HB3 GLU A 45 12.144 6.808 -9.737 1.00 63.03 H new ATOM 0 HG2 GLU A 45 13.387 8.239 -8.098 1.00 72.43 H new ATOM 0 HG3 GLU A 45 13.815 6.797 -7.199 1.00 72.43 H new ATOM 764 N GLY A 46 11.118 8.873 -6.739 1.00 14.52 N ATOM 765 CA GLY A 46 10.909 10.305 -6.621 1.00 51.04 C ATOM 766 C GLY A 46 9.738 10.646 -5.728 1.00 53.12 C ATOM 767 O GLY A 46 9.300 11.796 -5.670 1.00 1.04 O ATOM 0 H GLY A 46 11.544 8.434 -5.923 1.00 14.52 H new ATOM 0 HA2 GLY A 46 11.812 10.769 -6.224 1.00 51.04 H new ATOM 0 HA3 GLY A 46 10.742 10.728 -7.612 1.00 51.04 H new ATOM 771 N LEU A 47 9.234 9.645 -5.032 1.00 24.25 N ATOM 772 CA LEU A 47 8.105 9.826 -4.138 1.00 22.11 C ATOM 773 C LEU A 47 8.603 10.289 -2.769 1.00 63.00 C ATOM 774 O LEU A 47 9.283 9.546 -2.066 1.00 65.33 O ATOM 775 CB LEU A 47 7.334 8.503 -4.017 1.00 12.23 C ATOM 776 CG LEU A 47 5.810 8.615 -3.912 1.00 4.42 C ATOM 777 CD1 LEU A 47 5.179 7.234 -3.974 1.00 10.31 C ATOM 778 CD2 LEU A 47 5.397 9.318 -2.631 1.00 42.04 C ATOM 0 H LEU A 47 9.592 8.690 -5.069 1.00 24.25 H new ATOM 0 HA LEU A 47 7.435 10.587 -4.537 1.00 22.11 H new ATOM 0 HB2 LEU A 47 7.573 7.887 -4.884 1.00 12.23 H new ATOM 0 HB3 LEU A 47 7.700 7.973 -3.138 1.00 12.23 H new ATOM 0 HG LEU A 47 5.457 9.210 -4.754 1.00 4.42 H new ATOM 0 HD11 LEU A 47 4.095 7.325 -3.898 1.00 10.31 H new ATOM 0 HD12 LEU A 47 5.438 6.758 -4.920 1.00 10.31 H new ATOM 0 HD13 LEU A 47 5.550 6.627 -3.148 1.00 10.31 H new ATOM 0 HD21 LEU A 47 4.310 9.382 -2.585 1.00 42.04 H new ATOM 0 HD22 LEU A 47 5.764 8.755 -1.773 1.00 42.04 H new ATOM 0 HD23 LEU A 47 5.821 10.322 -2.614 1.00 42.04 H new ATOM 790 N GLN A 48 8.298 11.529 -2.413 1.00 74.32 N ATOM 791 CA GLN A 48 8.678 12.059 -1.108 1.00 64.04 C ATOM 792 C GLN A 48 7.662 11.650 -0.047 1.00 34.53 C ATOM 793 O GLN A 48 6.736 10.895 -0.327 1.00 75.54 O ATOM 794 CB GLN A 48 8.809 13.581 -1.155 1.00 52.34 C ATOM 795 CG GLN A 48 10.230 14.068 -1.396 1.00 32.43 C ATOM 796 CD GLN A 48 10.957 13.264 -2.457 1.00 21.44 C ATOM 797 OE1 GLN A 48 11.662 12.300 -2.155 1.00 24.31 O ATOM 798 NE2 GLN A 48 10.775 13.644 -3.703 1.00 72.22 N ATOM 0 H GLN A 48 7.791 12.186 -3.006 1.00 74.32 H new ATOM 0 HA GLN A 48 9.648 11.639 -0.843 1.00 64.04 H new ATOM 0 HB2 GLN A 48 8.164 13.968 -1.944 1.00 52.34 H new ATOM 0 HB3 GLN A 48 8.447 13.997 -0.215 1.00 52.34 H new ATOM 0 HG2 GLN A 48 10.204 15.116 -1.696 1.00 32.43 H new ATOM 0 HG3 GLN A 48 10.789 14.017 -0.462 1.00 32.43 H new ATOM 0 HE21 GLN A 48 10.183 14.448 -3.910 1.00 72.22 H new ATOM 0 HE22 GLN A 48 11.226 13.134 -4.463 1.00 72.22 H new ATOM 807 N PHE A 49 7.818 12.169 1.160 1.00 13.21 N ATOM 808 CA PHE A 49 6.944 11.789 2.262 1.00 23.23 C ATOM 809 C PHE A 49 5.594 12.483 2.135 1.00 61.15 C ATOM 810 O PHE A 49 4.546 11.848 2.225 1.00 5.32 O ATOM 811 CB PHE A 49 7.589 12.123 3.610 1.00 34.44 C ATOM 812 CG PHE A 49 8.905 11.434 3.835 1.00 53.04 C ATOM 813 CD1 PHE A 49 8.948 10.144 4.332 1.00 4.15 C ATOM 814 CD2 PHE A 49 10.100 12.079 3.550 1.00 40.03 C ATOM 815 CE1 PHE A 49 10.155 9.505 4.541 1.00 44.03 C ATOM 816 CE2 PHE A 49 11.312 11.447 3.757 1.00 64.14 C ATOM 817 CZ PHE A 49 11.339 10.157 4.253 1.00 23.53 C ATOM 0 H PHE A 49 8.537 12.851 1.403 1.00 13.21 H new ATOM 0 HA PHE A 49 6.788 10.711 2.215 1.00 23.23 H new ATOM 0 HB2 PHE A 49 7.737 13.201 3.675 1.00 34.44 H new ATOM 0 HB3 PHE A 49 6.902 11.847 4.410 1.00 34.44 H new ATOM 0 HD1 PHE A 49 8.026 9.630 4.560 1.00 4.15 H new ATOM 0 HD2 PHE A 49 10.083 13.087 3.162 1.00 40.03 H new ATOM 0 HE1 PHE A 49 10.173 8.497 4.929 1.00 44.03 H new ATOM 0 HE2 PHE A 49 12.235 11.960 3.532 1.00 64.14 H new ATOM 0 HZ PHE A 49 12.284 9.660 4.415 1.00 23.53 H new ATOM 827 N HIS A 50 5.619 13.787 1.889 1.00 70.32 N ATOM 828 CA HIS A 50 4.383 14.553 1.773 1.00 41.42 C ATOM 829 C HIS A 50 3.783 14.400 0.376 1.00 1.51 C ATOM 830 O HIS A 50 2.764 15.003 0.061 1.00 53.21 O ATOM 831 CB HIS A 50 4.617 16.034 2.099 1.00 44.32 C ATOM 832 CG HIS A 50 3.349 16.826 2.257 1.00 32.24 C ATOM 833 ND1 HIS A 50 2.826 17.628 1.265 1.00 52.43 N ATOM 834 CD2 HIS A 50 2.492 16.922 3.301 1.00 23.22 C ATOM 835 CE1 HIS A 50 1.711 18.184 1.693 1.00 3.31 C ATOM 836 NE2 HIS A 50 1.480 17.770 2.924 1.00 12.20 N ATOM 0 H HIS A 50 6.472 14.333 1.767 1.00 70.32 H new ATOM 0 HA HIS A 50 3.674 14.156 2.500 1.00 41.42 H new ATOM 0 HB2 HIS A 50 5.197 16.107 3.019 1.00 44.32 H new ATOM 0 HB3 HIS A 50 5.218 16.481 1.307 1.00 44.32 H new ATOM 0 HD2 HIS A 50 2.587 16.424 4.254 1.00 23.22 H new ATOM 0 HE1 HIS A 50 1.090 18.865 1.130 1.00 3.31 H new ATOM 0 HE2 HIS A 50 0.682 18.036 3.500 1.00 12.20 H new ATOM 845 N GLU A 51 4.415 13.587 -0.459 1.00 34.00 N ATOM 846 CA GLU A 51 3.865 13.289 -1.771 1.00 11.41 C ATOM 847 C GLU A 51 2.883 12.133 -1.663 1.00 62.23 C ATOM 848 O GLU A 51 2.097 11.873 -2.574 1.00 2.51 O ATOM 849 CB GLU A 51 4.974 12.960 -2.770 1.00 43.03 C ATOM 850 CG GLU A 51 5.927 14.114 -3.018 1.00 54.34 C ATOM 851 CD GLU A 51 5.203 15.396 -3.372 1.00 52.03 C ATOM 852 OE1 GLU A 51 4.864 15.584 -4.557 1.00 51.40 O ATOM 853 OE2 GLU A 51 4.974 16.222 -2.466 1.00 12.43 O ATOM 0 H GLU A 51 5.301 13.126 -0.253 1.00 34.00 H new ATOM 0 HA GLU A 51 3.340 14.171 -2.138 1.00 11.41 H new ATOM 0 HB2 GLU A 51 5.540 12.104 -2.403 1.00 43.03 H new ATOM 0 HB3 GLU A 51 4.523 12.662 -3.716 1.00 43.03 H new ATOM 0 HG2 GLU A 51 6.535 14.277 -2.128 1.00 54.34 H new ATOM 0 HG3 GLU A 51 6.609 13.851 -3.826 1.00 54.34 H new ATOM 860 N LEU A 52 2.933 11.444 -0.532 1.00 65.14 N ATOM 861 CA LEU A 52 1.991 10.383 -0.245 1.00 5.11 C ATOM 862 C LEU A 52 0.755 10.993 0.408 1.00 61.33 C ATOM 863 O LEU A 52 0.635 11.034 1.631 1.00 63.41 O ATOM 864 CB LEU A 52 2.637 9.334 0.669 1.00 61.45 C ATOM 865 CG LEU A 52 2.175 7.886 0.461 1.00 43.53 C ATOM 866 CD1 LEU A 52 0.692 7.727 0.747 1.00 75.23 C ATOM 867 CD2 LEU A 52 2.496 7.421 -0.953 1.00 64.33 C ATOM 0 H LEU A 52 3.622 11.606 0.203 1.00 65.14 H new ATOM 0 HA LEU A 52 1.699 9.881 -1.168 1.00 5.11 H new ATOM 0 HB2 LEU A 52 3.717 9.374 0.528 1.00 61.45 H new ATOM 0 HB3 LEU A 52 2.440 9.612 1.704 1.00 61.45 H new ATOM 0 HG LEU A 52 2.719 7.261 1.169 1.00 43.53 H new ATOM 0 HD11 LEU A 52 0.400 6.689 0.589 1.00 75.23 H new ATOM 0 HD12 LEU A 52 0.489 8.008 1.780 1.00 75.23 H new ATOM 0 HD13 LEU A 52 0.121 8.370 0.077 1.00 75.23 H new ATOM 0 HD21 LEU A 52 2.161 6.392 -1.082 1.00 64.33 H new ATOM 0 HD22 LEU A 52 1.985 8.062 -1.672 1.00 64.33 H new ATOM 0 HD23 LEU A 52 3.572 7.476 -1.119 1.00 64.33 H new ATOM 879 N THR A 53 -0.137 11.510 -0.420 1.00 62.13 N ATOM 880 CA THR A 53 -1.310 12.222 0.064 1.00 24.45 C ATOM 881 C THR A 53 -2.597 11.581 -0.424 1.00 24.15 C ATOM 882 O THR A 53 -2.575 10.600 -1.172 1.00 24.35 O ATOM 883 CB THR A 53 -1.301 13.686 -0.405 1.00 22.23 C ATOM 884 OG1 THR A 53 -1.078 13.738 -1.822 1.00 21.33 O ATOM 885 CG2 THR A 53 -0.234 14.489 0.318 1.00 12.20 C ATOM 0 H THR A 53 -0.071 11.450 -1.436 1.00 62.13 H new ATOM 0 HA THR A 53 -1.270 12.176 1.152 1.00 24.45 H new ATOM 0 HB THR A 53 -2.270 14.126 -0.171 1.00 22.23 H new ATOM 0 HG1 THR A 53 -1.074 14.672 -2.119 1.00 21.33 H new ATOM 0 HG21 THR A 53 -0.253 15.520 -0.035 1.00 12.20 H new ATOM 0 HG22 THR A 53 -0.428 14.469 1.390 1.00 12.20 H new ATOM 0 HG23 THR A 53 0.746 14.055 0.119 1.00 12.20 H new ATOM 893 N GLU A 54 -3.717 12.162 -0.010 1.00 11.35 N ATOM 894 CA GLU A 54 -5.030 11.728 -0.449 1.00 62.34 C ATOM 895 C GLU A 54 -5.132 11.776 -1.969 1.00 10.54 C ATOM 896 O GLU A 54 -5.758 10.917 -2.591 1.00 35.51 O ATOM 897 CB GLU A 54 -6.114 12.622 0.159 1.00 3.24 C ATOM 898 CG GLU A 54 -6.237 12.549 1.674 1.00 54.45 C ATOM 899 CD GLU A 54 -5.160 13.308 2.428 1.00 33.40 C ATOM 900 OE1 GLU A 54 -4.323 13.986 1.794 1.00 23.32 O ATOM 901 OE2 GLU A 54 -5.164 13.234 3.675 1.00 54.44 O ATOM 0 H GLU A 54 -3.736 12.948 0.640 1.00 11.35 H new ATOM 0 HA GLU A 54 -5.176 10.701 -0.115 1.00 62.34 H new ATOM 0 HB2 GLU A 54 -5.912 13.655 -0.124 1.00 3.24 H new ATOM 0 HB3 GLU A 54 -7.074 12.353 -0.281 1.00 3.24 H new ATOM 0 HG2 GLU A 54 -7.212 12.939 1.966 1.00 54.45 H new ATOM 0 HG3 GLU A 54 -6.208 11.503 1.979 1.00 54.45 H new ATOM 908 N ASP A 55 -4.498 12.782 -2.558 1.00 13.45 N ATOM 909 CA ASP A 55 -4.525 12.962 -4.003 1.00 52.22 C ATOM 910 C ASP A 55 -3.771 11.834 -4.691 1.00 64.50 C ATOM 911 O ASP A 55 -4.213 11.316 -5.716 1.00 74.11 O ATOM 912 CB ASP A 55 -3.915 14.309 -4.394 1.00 13.33 C ATOM 913 CG ASP A 55 -3.944 14.539 -5.893 1.00 73.13 C ATOM 914 OD1 ASP A 55 -5.022 14.890 -6.424 1.00 0.34 O ATOM 915 OD2 ASP A 55 -2.896 14.363 -6.550 1.00 30.22 O ATOM 0 H ASP A 55 -3.958 13.487 -2.056 1.00 13.45 H new ATOM 0 HA ASP A 55 -5.566 12.944 -4.327 1.00 52.22 H new ATOM 0 HB2 ASP A 55 -4.459 15.111 -3.895 1.00 13.33 H new ATOM 0 HB3 ASP A 55 -2.885 14.355 -4.041 1.00 13.33 H new ATOM 920 N PHE A 56 -2.642 11.445 -4.108 1.00 12.12 N ATOM 921 CA PHE A 56 -1.841 10.361 -4.658 1.00 40.32 C ATOM 922 C PHE A 56 -2.628 9.058 -4.629 1.00 45.03 C ATOM 923 O PHE A 56 -2.666 8.329 -5.617 1.00 14.40 O ATOM 924 CB PHE A 56 -0.531 10.201 -3.881 1.00 54.01 C ATOM 925 CG PHE A 56 0.370 9.138 -4.448 1.00 50.22 C ATOM 926 CD1 PHE A 56 1.219 9.425 -5.504 1.00 45.53 C ATOM 927 CD2 PHE A 56 0.359 7.850 -3.935 1.00 45.23 C ATOM 928 CE1 PHE A 56 2.039 8.451 -6.038 1.00 23.43 C ATOM 929 CE2 PHE A 56 1.178 6.871 -4.464 1.00 64.32 C ATOM 930 CZ PHE A 56 2.018 7.173 -5.517 1.00 11.51 C ATOM 0 H PHE A 56 -2.263 11.863 -3.258 1.00 12.12 H new ATOM 0 HA PHE A 56 -1.599 10.608 -5.692 1.00 40.32 H new ATOM 0 HB2 PHE A 56 -0.000 11.153 -3.877 1.00 54.01 H new ATOM 0 HB3 PHE A 56 -0.759 9.959 -2.843 1.00 54.01 H new ATOM 0 HD1 PHE A 56 1.240 10.424 -5.915 1.00 45.53 H new ATOM 0 HD2 PHE A 56 -0.298 7.609 -3.112 1.00 45.23 H new ATOM 0 HE1 PHE A 56 2.696 8.689 -6.862 1.00 23.43 H new ATOM 0 HE2 PHE A 56 1.161 5.872 -4.055 1.00 64.32 H new ATOM 0 HZ PHE A 56 2.659 6.409 -5.933 1.00 11.51 H new ATOM 940 N LEU A 57 -3.261 8.776 -3.492 1.00 61.14 N ATOM 941 CA LEU A 57 -4.082 7.581 -3.348 1.00 64.03 C ATOM 942 C LEU A 57 -5.181 7.548 -4.401 1.00 31.34 C ATOM 943 O LEU A 57 -5.426 6.513 -5.017 1.00 61.04 O ATOM 944 CB LEU A 57 -4.698 7.522 -1.947 1.00 32.12 C ATOM 945 CG LEU A 57 -3.824 6.884 -0.860 1.00 12.24 C ATOM 946 CD1 LEU A 57 -3.664 5.393 -1.108 1.00 54.13 C ATOM 947 CD2 LEU A 57 -2.460 7.552 -0.783 1.00 74.15 C ATOM 0 H LEU A 57 -3.219 9.361 -2.658 1.00 61.14 H new ATOM 0 HA LEU A 57 -3.440 6.711 -3.490 1.00 64.03 H new ATOM 0 HB2 LEU A 57 -4.947 8.537 -1.637 1.00 32.12 H new ATOM 0 HB3 LEU A 57 -5.635 6.968 -2.005 1.00 32.12 H new ATOM 0 HG LEU A 57 -4.327 7.030 0.096 1.00 12.24 H new ATOM 0 HD11 LEU A 57 -3.041 4.959 -0.326 1.00 54.13 H new ATOM 0 HD12 LEU A 57 -4.644 4.915 -1.098 1.00 54.13 H new ATOM 0 HD13 LEU A 57 -3.193 5.234 -2.078 1.00 54.13 H new ATOM 0 HD21 LEU A 57 -1.865 7.076 -0.003 1.00 74.15 H new ATOM 0 HD22 LEU A 57 -1.950 7.450 -1.741 1.00 74.15 H new ATOM 0 HD23 LEU A 57 -2.585 8.609 -0.550 1.00 74.15 H new ATOM 959 N ARG A 58 -5.823 8.689 -4.613 1.00 62.32 N ATOM 960 CA ARG A 58 -6.904 8.797 -5.583 1.00 63.02 C ATOM 961 C ARG A 58 -6.386 8.567 -7.002 1.00 42.24 C ATOM 962 O ARG A 58 -6.932 7.755 -7.750 1.00 34.05 O ATOM 963 CB ARG A 58 -7.561 10.173 -5.482 1.00 13.23 C ATOM 964 CG ARG A 58 -8.819 10.317 -6.315 1.00 71.43 C ATOM 965 CD ARG A 58 -9.383 11.719 -6.193 1.00 54.01 C ATOM 966 NE ARG A 58 -10.678 11.858 -6.855 1.00 74.15 N ATOM 967 CZ ARG A 58 -11.140 13.009 -7.343 1.00 51.11 C ATOM 968 NH1 ARG A 58 -10.367 14.090 -7.337 1.00 0.53 N ATOM 969 NH2 ARG A 58 -12.360 13.069 -7.862 1.00 63.14 N ATOM 0 H ARG A 58 -5.612 9.558 -4.123 1.00 62.32 H new ATOM 0 HA ARG A 58 -7.644 8.029 -5.360 1.00 63.02 H new ATOM 0 HB2 ARG A 58 -7.804 10.373 -4.438 1.00 13.23 H new ATOM 0 HB3 ARG A 58 -6.842 10.931 -5.793 1.00 13.23 H new ATOM 0 HG2 ARG A 58 -8.597 10.098 -7.359 1.00 71.43 H new ATOM 0 HG3 ARG A 58 -9.563 9.590 -5.988 1.00 71.43 H new ATOM 0 HD2 ARG A 58 -9.488 11.975 -5.139 1.00 54.01 H new ATOM 0 HD3 ARG A 58 -8.679 12.430 -6.625 1.00 54.01 H new ATOM 0 HE ARG A 58 -11.262 11.027 -6.949 1.00 74.15 H new ATOM 0 HH11 ARG A 58 -9.421 14.038 -6.959 1.00 0.53 H new ATOM 0 HH12 ARG A 58 -10.720 14.971 -7.710 1.00 0.53 H new ATOM 0 HH21 ARG A 58 -12.945 12.234 -7.888 1.00 63.14 H new ATOM 0 HH22 ARG A 58 -12.713 13.950 -8.235 1.00 63.14 H new ATOM 983 N ASP A 59 -5.321 9.276 -7.357 1.00 42.24 N ATOM 984 CA ASP A 59 -4.733 9.180 -8.692 1.00 54.21 C ATOM 985 C ASP A 59 -4.202 7.774 -8.962 1.00 22.23 C ATOM 986 O ASP A 59 -4.411 7.214 -10.042 1.00 25.41 O ATOM 987 CB ASP A 59 -3.602 10.200 -8.847 1.00 53.04 C ATOM 988 CG ASP A 59 -2.911 10.109 -10.195 1.00 74.24 C ATOM 989 OD1 ASP A 59 -3.470 10.617 -11.192 1.00 24.23 O ATOM 990 OD2 ASP A 59 -1.808 9.531 -10.266 1.00 22.14 O ATOM 0 H ASP A 59 -4.843 9.928 -6.736 1.00 42.24 H new ATOM 0 HA ASP A 59 -5.516 9.396 -9.419 1.00 54.21 H new ATOM 0 HB2 ASP A 59 -4.004 11.205 -8.717 1.00 53.04 H new ATOM 0 HB3 ASP A 59 -2.868 10.045 -8.056 1.00 53.04 H new ATOM 995 N TYR A 60 -3.532 7.208 -7.968 1.00 72.14 N ATOM 996 CA TYR A 60 -2.935 5.883 -8.092 1.00 72.43 C ATOM 997 C TYR A 60 -4.026 4.817 -8.171 1.00 30.43 C ATOM 998 O TYR A 60 -3.875 3.813 -8.864 1.00 51.04 O ATOM 999 CB TYR A 60 -2.007 5.623 -6.901 1.00 34.21 C ATOM 1000 CG TYR A 60 -1.006 4.505 -7.112 1.00 64.02 C ATOM 1001 CD1 TYR A 60 -0.556 4.169 -8.385 1.00 54.21 C ATOM 1002 CD2 TYR A 60 -0.493 3.805 -6.028 1.00 60.04 C ATOM 1003 CE1 TYR A 60 0.375 3.164 -8.568 1.00 54.34 C ATOM 1004 CE2 TYR A 60 0.435 2.798 -6.204 1.00 4.44 C ATOM 1005 CZ TYR A 60 0.866 2.482 -7.475 1.00 55.04 C ATOM 1006 OH TYR A 60 1.803 1.487 -7.653 1.00 55.40 O ATOM 0 H TYR A 60 -3.387 7.649 -7.060 1.00 72.14 H new ATOM 0 HA TYR A 60 -2.349 5.837 -9.010 1.00 72.43 H new ATOM 0 HB2 TYR A 60 -1.464 6.540 -6.673 1.00 34.21 H new ATOM 0 HB3 TYR A 60 -2.616 5.388 -6.028 1.00 34.21 H new ATOM 0 HD1 TYR A 60 -0.940 4.701 -9.243 1.00 54.21 H new ATOM 0 HD2 TYR A 60 -0.825 4.052 -5.031 1.00 60.04 H new ATOM 0 HE1 TYR A 60 0.716 2.914 -9.562 1.00 54.34 H new ATOM 0 HE2 TYR A 60 0.821 2.261 -5.351 1.00 4.44 H new ATOM 0 HH TYR A 60 2.275 1.328 -6.809 1.00 55.40 H new ATOM 1016 N LEU A 61 -5.125 5.053 -7.461 1.00 74.12 N ATOM 1017 CA LEU A 61 -6.297 4.184 -7.529 1.00 43.25 C ATOM 1018 C LEU A 61 -6.826 4.130 -8.954 1.00 35.54 C ATOM 1019 O LEU A 61 -7.037 3.053 -9.516 1.00 5.24 O ATOM 1020 CB LEU A 61 -7.387 4.709 -6.591 1.00 43.31 C ATOM 1021 CG LEU A 61 -8.731 3.980 -6.660 1.00 23.11 C ATOM 1022 CD1 LEU A 61 -8.602 2.551 -6.161 1.00 31.44 C ATOM 1023 CD2 LEU A 61 -9.778 4.734 -5.857 1.00 53.41 C ATOM 0 H LEU A 61 -5.229 5.845 -6.827 1.00 74.12 H new ATOM 0 HA LEU A 61 -6.010 3.179 -7.220 1.00 43.25 H new ATOM 0 HB2 LEU A 61 -7.017 4.654 -5.567 1.00 43.31 H new ATOM 0 HB3 LEU A 61 -7.555 5.763 -6.813 1.00 43.31 H new ATOM 0 HG LEU A 61 -9.048 3.943 -7.702 1.00 23.11 H new ATOM 0 HD11 LEU A 61 -9.571 2.056 -6.221 1.00 31.44 H new ATOM 0 HD12 LEU A 61 -7.881 2.014 -6.778 1.00 31.44 H new ATOM 0 HD13 LEU A 61 -8.261 2.557 -5.126 1.00 31.44 H new ATOM 0 HD21 LEU A 61 -10.730 4.206 -5.914 1.00 53.41 H new ATOM 0 HD22 LEU A 61 -9.461 4.800 -4.816 1.00 53.41 H new ATOM 0 HD23 LEU A 61 -9.895 5.738 -6.264 1.00 53.41 H new ATOM 1035 N ILE A 62 -7.028 5.308 -9.528 1.00 62.22 N ATOM 1036 CA ILE A 62 -7.507 5.424 -10.897 1.00 15.40 C ATOM 1037 C ILE A 62 -6.552 4.734 -11.867 1.00 10.42 C ATOM 1038 O ILE A 62 -6.978 3.964 -12.719 1.00 72.51 O ATOM 1039 CB ILE A 62 -7.689 6.901 -11.314 1.00 55.42 C ATOM 1040 CG1 ILE A 62 -8.689 7.592 -10.384 1.00 44.13 C ATOM 1041 CG2 ILE A 62 -8.155 6.993 -12.762 1.00 20.45 C ATOM 1042 CD1 ILE A 62 -8.873 9.068 -10.668 1.00 61.32 C ATOM 0 H ILE A 62 -6.866 6.201 -9.063 1.00 62.22 H new ATOM 0 HA ILE A 62 -8.479 4.932 -10.938 1.00 15.40 H new ATOM 0 HB ILE A 62 -6.728 7.408 -11.231 1.00 55.42 H new ATOM 0 HG12 ILE A 62 -9.654 7.093 -10.469 1.00 44.13 H new ATOM 0 HG13 ILE A 62 -8.356 7.469 -9.353 1.00 44.13 H new ATOM 0 HG21 ILE A 62 -8.278 8.040 -13.039 1.00 20.45 H new ATOM 0 HG22 ILE A 62 -7.413 6.530 -13.413 1.00 20.45 H new ATOM 0 HG23 ILE A 62 -9.108 6.475 -12.871 1.00 20.45 H new ATOM 0 HD11 ILE A 62 -9.596 9.486 -9.968 1.00 61.32 H new ATOM 0 HD12 ILE A 62 -7.919 9.582 -10.554 1.00 61.32 H new ATOM 0 HD13 ILE A 62 -9.237 9.200 -11.687 1.00 61.32 H new ATOM 1054 N TYR A 63 -5.258 4.993 -11.709 1.00 2.11 N ATOM 1055 CA TYR A 63 -4.240 4.413 -12.585 1.00 11.21 C ATOM 1056 C TYR A 63 -4.245 2.886 -12.482 1.00 44.42 C ATOM 1057 O TYR A 63 -4.112 2.182 -13.487 1.00 75.01 O ATOM 1058 CB TYR A 63 -2.860 4.965 -12.216 1.00 24.33 C ATOM 1059 CG TYR A 63 -1.775 4.649 -13.222 1.00 23.40 C ATOM 1060 CD1 TYR A 63 -1.591 5.452 -14.340 1.00 11.23 C ATOM 1061 CD2 TYR A 63 -0.928 3.558 -13.050 1.00 33.53 C ATOM 1062 CE1 TYR A 63 -0.596 5.179 -15.258 1.00 11.35 C ATOM 1063 CE2 TYR A 63 0.069 3.277 -13.967 1.00 1.43 C ATOM 1064 CZ TYR A 63 0.232 4.092 -15.069 1.00 4.41 C ATOM 1065 OH TYR A 63 1.228 3.825 -15.981 1.00 11.54 O ATOM 0 H TYR A 63 -4.886 5.603 -10.981 1.00 2.11 H new ATOM 0 HA TYR A 63 -4.469 4.686 -13.615 1.00 11.21 H new ATOM 0 HB2 TYR A 63 -2.932 6.047 -12.104 1.00 24.33 H new ATOM 0 HB3 TYR A 63 -2.568 4.563 -11.246 1.00 24.33 H new ATOM 0 HD1 TYR A 63 -2.237 6.304 -14.494 1.00 11.23 H new ATOM 0 HD2 TYR A 63 -1.051 2.921 -12.187 1.00 33.53 H new ATOM 0 HE1 TYR A 63 -0.467 5.815 -16.121 1.00 11.35 H new ATOM 0 HE2 TYR A 63 0.716 2.425 -13.821 1.00 1.43 H new ATOM 0 HH TYR A 63 1.722 3.026 -15.701 1.00 11.54 H new ATOM 1075 N MET A 64 -4.411 2.392 -11.261 1.00 10.52 N ATOM 1076 CA MET A 64 -4.448 0.957 -10.986 1.00 43.34 C ATOM 1077 C MET A 64 -5.637 0.303 -11.690 1.00 44.53 C ATOM 1078 O MET A 64 -5.513 -0.749 -12.317 1.00 23.30 O ATOM 1079 CB MET A 64 -4.581 0.741 -9.477 1.00 43.13 C ATOM 1080 CG MET A 64 -4.161 -0.635 -8.999 1.00 64.12 C ATOM 1081 SD MET A 64 -2.479 -0.647 -8.356 1.00 52.13 S ATOM 1082 CE MET A 64 -2.595 0.634 -7.104 1.00 41.34 C ATOM 0 H MET A 64 -4.524 2.974 -10.431 1.00 10.52 H new ATOM 0 HA MET A 64 -3.528 0.504 -11.356 1.00 43.34 H new ATOM 0 HB2 MET A 64 -3.980 1.490 -8.961 1.00 43.13 H new ATOM 0 HB3 MET A 64 -5.618 0.911 -9.189 1.00 43.13 H new ATOM 0 HG2 MET A 64 -4.847 -0.973 -8.223 1.00 64.12 H new ATOM 0 HG3 MET A 64 -4.238 -1.344 -9.824 1.00 64.12 H new ATOM 0 HE1 MET A 64 -1.964 0.371 -6.255 1.00 41.34 H new ATOM 0 HE2 MET A 64 -2.262 1.584 -7.523 1.00 41.34 H new ATOM 0 HE3 MET A 64 -3.629 0.726 -6.773 1.00 41.34 H new ATOM 1092 N LYS A 65 -6.785 0.944 -11.575 1.00 63.32 N ATOM 1093 CA LYS A 65 -8.026 0.424 -12.131 1.00 74.31 C ATOM 1094 C LYS A 65 -8.082 0.634 -13.647 1.00 43.21 C ATOM 1095 O LYS A 65 -8.638 -0.187 -14.380 1.00 61.31 O ATOM 1096 CB LYS A 65 -9.205 1.111 -11.427 1.00 61.42 C ATOM 1097 CG LYS A 65 -10.581 0.635 -11.859 1.00 41.54 C ATOM 1098 CD LYS A 65 -11.229 1.615 -12.820 1.00 41.54 C ATOM 1099 CE LYS A 65 -12.703 1.313 -13.000 1.00 24.03 C ATOM 1100 NZ LYS A 65 -13.370 2.309 -13.877 1.00 32.04 N ATOM 0 H LYS A 65 -6.886 1.838 -11.095 1.00 63.32 H new ATOM 0 HA LYS A 65 -8.081 -0.651 -11.960 1.00 74.31 H new ATOM 0 HB2 LYS A 65 -9.106 0.957 -10.352 1.00 61.42 H new ATOM 0 HB3 LYS A 65 -9.137 2.185 -11.603 1.00 61.42 H new ATOM 0 HG2 LYS A 65 -10.497 -0.342 -12.335 1.00 41.54 H new ATOM 0 HG3 LYS A 65 -11.216 0.509 -10.982 1.00 41.54 H new ATOM 0 HD2 LYS A 65 -11.106 2.631 -12.445 1.00 41.54 H new ATOM 0 HD3 LYS A 65 -10.725 1.569 -13.785 1.00 41.54 H new ATOM 0 HE2 LYS A 65 -12.820 0.317 -13.427 1.00 24.03 H new ATOM 0 HE3 LYS A 65 -13.193 1.301 -12.026 1.00 24.03 H new ATOM 0 HZ1 LYS A 65 -14.377 2.067 -13.975 1.00 32.04 H new ATOM 0 HZ2 LYS A 65 -13.281 3.256 -13.457 1.00 32.04 H new ATOM 0 HZ3 LYS A 65 -12.920 2.303 -14.815 1.00 32.04 H new ATOM 1114 N LYS A 66 -7.481 1.721 -14.113 1.00 73.44 N ATOM 1115 CA LYS A 66 -7.515 2.077 -15.526 1.00 1.52 C ATOM 1116 C LYS A 66 -6.484 1.288 -16.333 1.00 64.43 C ATOM 1117 O LYS A 66 -6.843 0.482 -17.193 1.00 53.55 O ATOM 1118 CB LYS A 66 -7.254 3.580 -15.683 1.00 24.42 C ATOM 1119 CG LYS A 66 -7.217 4.064 -17.123 1.00 34.01 C ATOM 1120 CD LYS A 66 -8.593 4.043 -17.764 1.00 42.32 C ATOM 1121 CE LYS A 66 -8.531 4.544 -19.195 1.00 51.41 C ATOM 1122 NZ LYS A 66 -9.879 4.679 -19.800 1.00 74.23 N ATOM 0 H LYS A 66 -6.961 2.376 -13.529 1.00 73.44 H new ATOM 0 HA LYS A 66 -8.503 1.827 -15.912 1.00 1.52 H new ATOM 0 HB2 LYS A 66 -8.029 4.129 -15.148 1.00 24.42 H new ATOM 0 HB3 LYS A 66 -6.304 3.823 -15.206 1.00 24.42 H new ATOM 0 HG2 LYS A 66 -6.817 5.078 -17.155 1.00 34.01 H new ATOM 0 HG3 LYS A 66 -6.538 3.435 -17.700 1.00 34.01 H new ATOM 0 HD2 LYS A 66 -8.991 3.029 -17.746 1.00 42.32 H new ATOM 0 HD3 LYS A 66 -9.277 4.664 -17.186 1.00 42.32 H new ATOM 0 HE2 LYS A 66 -8.026 5.509 -19.219 1.00 51.41 H new ATOM 0 HE3 LYS A 66 -7.933 3.857 -19.793 1.00 51.41 H new ATOM 0 HZ1 LYS A 66 -9.788 5.024 -20.777 1.00 74.23 H new ATOM 0 HZ2 LYS A 66 -10.353 3.753 -19.802 1.00 74.23 H new ATOM 0 HZ3 LYS A 66 -10.442 5.355 -19.245 1.00 74.23 H new ATOM 1136 N THR A 67 -5.209 1.510 -16.043 1.00 4.03 N ATOM 1137 CA THR A 67 -4.132 0.933 -16.835 1.00 11.41 C ATOM 1138 C THR A 67 -3.872 -0.524 -16.462 1.00 40.42 C ATOM 1139 O THR A 67 -3.768 -1.389 -17.335 1.00 71.30 O ATOM 1140 CB THR A 67 -2.835 1.749 -16.666 1.00 64.34 C ATOM 1141 OG1 THR A 67 -3.096 3.128 -16.955 1.00 20.32 O ATOM 1142 CG2 THR A 67 -1.737 1.236 -17.586 1.00 22.13 C ATOM 0 H THR A 67 -4.895 2.087 -15.263 1.00 4.03 H new ATOM 0 HA THR A 67 -4.448 0.967 -17.878 1.00 11.41 H new ATOM 0 HB THR A 67 -2.496 1.641 -15.636 1.00 64.34 H new ATOM 0 HG1 THR A 67 -2.441 3.689 -16.490 1.00 20.32 H new ATOM 0 HG21 THR A 67 -0.835 1.832 -17.444 1.00 22.13 H new ATOM 0 HG22 THR A 67 -1.524 0.193 -17.352 1.00 22.13 H new ATOM 0 HG23 THR A 67 -2.064 1.315 -18.623 1.00 22.13 H new ATOM 1150 N LEU A 68 -3.788 -0.799 -15.167 1.00 64.31 N ATOM 1151 CA LEU A 68 -3.460 -2.139 -14.694 1.00 2.25 C ATOM 1152 C LEU A 68 -4.648 -3.086 -14.852 1.00 13.33 C ATOM 1153 O LEU A 68 -4.492 -4.301 -14.756 1.00 61.04 O ATOM 1154 CB LEU A 68 -2.988 -2.093 -13.238 1.00 22.31 C ATOM 1155 CG LEU A 68 -1.654 -1.376 -13.015 1.00 65.24 C ATOM 1156 CD1 LEU A 68 -1.284 -1.387 -11.544 1.00 23.34 C ATOM 1157 CD2 LEU A 68 -0.552 -2.020 -13.845 1.00 40.01 C ATOM 0 H LEU A 68 -3.942 -0.115 -14.426 1.00 64.31 H new ATOM 0 HA LEU A 68 -2.646 -2.525 -15.307 1.00 2.25 H new ATOM 0 HB2 LEU A 68 -3.753 -1.600 -12.639 1.00 22.31 H new ATOM 0 HB3 LEU A 68 -2.901 -3.114 -12.867 1.00 22.31 H new ATOM 0 HG LEU A 68 -1.765 -0.340 -13.336 1.00 65.24 H new ATOM 0 HD11 LEU A 68 -0.333 -0.873 -11.404 1.00 23.34 H new ATOM 0 HD12 LEU A 68 -2.059 -0.879 -10.970 1.00 23.34 H new ATOM 0 HD13 LEU A 68 -1.194 -2.417 -11.199 1.00 23.34 H new ATOM 0 HD21 LEU A 68 0.388 -1.495 -13.672 1.00 40.01 H new ATOM 0 HD22 LEU A 68 -0.443 -3.065 -13.556 1.00 40.01 H new ATOM 0 HD23 LEU A 68 -0.811 -1.961 -14.902 1.00 40.01 H new ATOM 1169 N CYS A 69 -5.825 -2.511 -15.096 1.00 51.42 N ATOM 1170 CA CYS A 69 -7.039 -3.281 -15.375 1.00 24.24 C ATOM 1171 C CYS A 69 -7.505 -4.039 -14.129 1.00 61.20 C ATOM 1172 O CYS A 69 -8.265 -5.005 -14.215 1.00 61.30 O ATOM 1173 CB CYS A 69 -6.799 -4.248 -16.548 1.00 64.24 C ATOM 1174 SG CYS A 69 -8.291 -5.035 -17.201 1.00 43.54 S ATOM 0 H CYS A 69 -5.965 -1.501 -15.106 1.00 51.42 H new ATOM 0 HA CYS A 69 -7.830 -2.586 -15.657 1.00 24.24 H new ATOM 0 HB2 CYS A 69 -6.310 -3.703 -17.355 1.00 64.24 H new ATOM 0 HB3 CYS A 69 -6.107 -5.026 -16.224 1.00 64.24 H new ATOM 0 HG CYS A 69 -9.022 -5.464 -16.215 1.00 43.54 H new ATOM 1180 N ASN A 70 -7.060 -3.584 -12.966 1.00 74.41 N ATOM 1181 CA ASN A 70 -7.487 -4.184 -11.710 1.00 15.24 C ATOM 1182 C ASN A 70 -8.849 -3.641 -11.316 1.00 64.01 C ATOM 1183 O ASN A 70 -9.191 -2.502 -11.641 1.00 52.15 O ATOM 1184 CB ASN A 70 -6.477 -3.920 -10.589 1.00 32.33 C ATOM 1185 CG ASN A 70 -5.175 -4.676 -10.779 1.00 31.41 C ATOM 1186 OD1 ASN A 70 -4.721 -4.893 -11.898 1.00 40.41 O ATOM 1187 ND2 ASN A 70 -4.574 -5.097 -9.681 1.00 72.21 N ATOM 0 H ASN A 70 -6.408 -2.806 -12.866 1.00 74.41 H new ATOM 0 HA ASN A 70 -7.551 -5.262 -11.857 1.00 15.24 H new ATOM 0 HB2 ASN A 70 -6.267 -2.852 -10.540 1.00 32.33 H new ATOM 0 HB3 ASN A 70 -6.920 -4.202 -9.634 1.00 32.33 H new ATOM 0 HD21 ASN A 70 -3.702 -5.622 -9.746 1.00 72.21 H new ATOM 0 HD22 ASN A 70 -4.982 -4.897 -8.768 1.00 72.21 H new ATOM 1194 N ALA A 71 -9.635 -4.464 -10.641 1.00 30.30 N ATOM 1195 CA ALA A 71 -10.951 -4.049 -10.183 1.00 33.33 C ATOM 1196 C ALA A 71 -10.825 -3.020 -9.070 1.00 54.31 C ATOM 1197 O ALA A 71 -9.773 -2.903 -8.443 1.00 71.31 O ATOM 1198 CB ALA A 71 -11.757 -5.249 -9.710 1.00 13.34 C ATOM 0 H ALA A 71 -9.385 -5.423 -10.398 1.00 30.30 H new ATOM 0 HA ALA A 71 -11.478 -3.591 -11.020 1.00 33.33 H new ATOM 0 HB1 ALA A 71 -12.739 -4.917 -9.371 1.00 13.34 H new ATOM 0 HB2 ALA A 71 -11.876 -5.954 -10.532 1.00 13.34 H new ATOM 0 HB3 ALA A 71 -11.235 -5.736 -8.887 1.00 13.34 H new ATOM 1204 N ASP A 72 -11.903 -2.283 -8.834 1.00 60.14 N ATOM 1205 CA ASP A 72 -11.930 -1.239 -7.812 1.00 21.14 C ATOM 1206 C ASP A 72 -11.469 -1.787 -6.466 1.00 71.44 C ATOM 1207 O ASP A 72 -10.555 -1.247 -5.842 1.00 70.35 O ATOM 1208 CB ASP A 72 -13.347 -0.670 -7.677 1.00 5.21 C ATOM 1209 CG ASP A 72 -13.899 -0.149 -8.991 1.00 71.43 C ATOM 1210 OD1 ASP A 72 -14.123 -0.969 -9.911 1.00 53.32 O ATOM 1211 OD2 ASP A 72 -14.121 1.077 -9.109 1.00 70.43 O ATOM 0 H ASP A 72 -12.781 -2.390 -9.342 1.00 60.14 H new ATOM 0 HA ASP A 72 -11.248 -0.445 -8.119 1.00 21.14 H new ATOM 0 HB2 ASP A 72 -14.010 -1.445 -7.292 1.00 5.21 H new ATOM 0 HB3 ASP A 72 -13.341 0.138 -6.945 1.00 5.21 H new ATOM 1216 N SER A 73 -12.093 -2.879 -6.045 1.00 50.44 N ATOM 1217 CA SER A 73 -11.771 -3.516 -4.777 1.00 65.14 C ATOM 1218 C SER A 73 -10.340 -4.052 -4.776 1.00 61.31 C ATOM 1219 O SER A 73 -9.657 -4.020 -3.752 1.00 65.51 O ATOM 1220 CB SER A 73 -12.767 -4.642 -4.503 1.00 53.24 C ATOM 1221 OG SER A 73 -14.099 -4.178 -4.666 1.00 11.53 O ATOM 0 H SER A 73 -12.833 -3.345 -6.570 1.00 50.44 H new ATOM 0 HA SER A 73 -11.844 -2.771 -3.985 1.00 65.14 H new ATOM 0 HB2 SER A 73 -12.580 -5.474 -5.182 1.00 53.24 H new ATOM 0 HB3 SER A 73 -12.629 -5.020 -3.490 1.00 53.24 H new ATOM 0 HG SER A 73 -14.725 -4.911 -4.489 1.00 11.53 H new ATOM 1227 N THR A 74 -9.885 -4.529 -5.931 1.00 34.43 N ATOM 1228 CA THR A 74 -8.529 -5.041 -6.065 1.00 34.41 C ATOM 1229 C THR A 74 -7.514 -3.909 -5.927 1.00 0.15 C ATOM 1230 O THR A 74 -6.471 -4.065 -5.297 1.00 40.34 O ATOM 1231 CB THR A 74 -8.340 -5.741 -7.424 1.00 24.13 C ATOM 1232 OG1 THR A 74 -9.451 -6.612 -7.675 1.00 33.13 O ATOM 1233 CG2 THR A 74 -7.048 -6.546 -7.448 1.00 42.13 C ATOM 0 H THR A 74 -10.438 -4.571 -6.787 1.00 34.43 H new ATOM 0 HA THR A 74 -8.365 -5.767 -5.269 1.00 34.41 H new ATOM 0 HB THR A 74 -8.285 -4.977 -8.199 1.00 24.13 H new ATOM 0 HG1 THR A 74 -9.330 -7.055 -8.541 1.00 33.13 H new ATOM 0 HG21 THR A 74 -6.939 -7.030 -8.419 1.00 42.13 H new ATOM 0 HG22 THR A 74 -6.202 -5.881 -7.277 1.00 42.13 H new ATOM 0 HG23 THR A 74 -7.077 -7.304 -6.666 1.00 42.13 H new ATOM 1241 N ALA A 75 -7.843 -2.761 -6.501 1.00 71.40 N ATOM 1242 CA ALA A 75 -6.987 -1.587 -6.408 1.00 5.22 C ATOM 1243 C ALA A 75 -6.931 -1.085 -4.970 1.00 30.01 C ATOM 1244 O ALA A 75 -5.905 -0.579 -4.516 1.00 4.42 O ATOM 1245 CB ALA A 75 -7.484 -0.497 -7.341 1.00 44.34 C ATOM 0 H ALA A 75 -8.699 -2.617 -7.037 1.00 71.40 H new ATOM 0 HA ALA A 75 -5.978 -1.864 -6.713 1.00 5.22 H new ATOM 0 HB1 ALA A 75 -6.834 0.375 -7.261 1.00 44.34 H new ATOM 0 HB2 ALA A 75 -7.474 -0.864 -8.367 1.00 44.34 H new ATOM 0 HB3 ALA A 75 -8.501 -0.218 -7.066 1.00 44.34 H new ATOM 1251 N GLN A 76 -8.043 -1.242 -4.257 1.00 53.13 N ATOM 1252 CA GLN A 76 -8.112 -0.918 -2.844 1.00 31.34 C ATOM 1253 C GLN A 76 -7.143 -1.789 -2.053 1.00 32.51 C ATOM 1254 O GLN A 76 -6.512 -1.330 -1.103 1.00 5.43 O ATOM 1255 CB GLN A 76 -9.540 -1.124 -2.346 1.00 54.11 C ATOM 1256 CG GLN A 76 -10.513 -0.048 -2.802 1.00 44.23 C ATOM 1257 CD GLN A 76 -10.307 1.273 -2.089 1.00 21.24 C ATOM 1258 OE1 GLN A 76 -9.480 2.135 -2.658 1.00 20.01 O flip ATOM 1259 NE2 GLN A 76 -10.894 1.521 -1.037 1.00 3.33 N flip ATOM 0 H GLN A 76 -8.917 -1.597 -4.646 1.00 53.13 H new ATOM 0 HA GLN A 76 -7.829 0.125 -2.700 1.00 31.34 H new ATOM 0 HB2 GLN A 76 -9.898 -2.094 -2.691 1.00 54.11 H new ATOM 0 HB3 GLN A 76 -9.533 -1.156 -1.256 1.00 54.11 H new ATOM 0 HG2 GLN A 76 -10.403 0.103 -3.876 1.00 44.23 H new ATOM 0 HG3 GLN A 76 -11.533 -0.392 -2.632 1.00 44.23 H new ATOM 0 HE21 GLN A 76 -11.524 0.830 -0.629 1.00 3.33 H new ATOM 0 HE22 GLN A 76 -10.751 2.418 -0.572 1.00 3.33 H new ATOM 1268 N ARG A 77 -7.019 -3.047 -2.463 1.00 73.21 N ATOM 1269 CA ARG A 77 -6.074 -3.966 -1.836 1.00 65.11 C ATOM 1270 C ARG A 77 -4.649 -3.478 -2.066 1.00 10.40 C ATOM 1271 O ARG A 77 -3.833 -3.445 -1.145 1.00 23.34 O ATOM 1272 CB ARG A 77 -6.217 -5.379 -2.408 1.00 53.51 C ATOM 1273 CG ARG A 77 -7.640 -5.912 -2.423 1.00 22.23 C ATOM 1274 CD ARG A 77 -8.260 -5.926 -1.038 1.00 34.11 C ATOM 1275 NE ARG A 77 -9.568 -6.577 -1.044 1.00 53.24 N ATOM 1276 CZ ARG A 77 -10.259 -6.880 0.051 1.00 2.22 C ATOM 1277 NH1 ARG A 77 -9.806 -6.531 1.250 1.00 11.23 N ATOM 1278 NH2 ARG A 77 -11.417 -7.519 -0.061 1.00 12.44 N ATOM 0 H ARG A 77 -7.560 -3.454 -3.226 1.00 73.21 H new ATOM 0 HA ARG A 77 -6.292 -3.996 -0.768 1.00 65.11 H new ATOM 0 HB2 ARG A 77 -5.829 -5.386 -3.427 1.00 53.51 H new ATOM 0 HB3 ARG A 77 -5.594 -6.058 -1.825 1.00 53.51 H new ATOM 0 HG2 ARG A 77 -8.249 -5.298 -3.086 1.00 22.23 H new ATOM 0 HG3 ARG A 77 -7.644 -6.923 -2.831 1.00 22.23 H new ATOM 0 HD2 ARG A 77 -7.597 -6.446 -0.346 1.00 34.11 H new ATOM 0 HD3 ARG A 77 -8.363 -4.904 -0.674 1.00 34.11 H new ATOM 0 HE ARG A 77 -9.978 -6.815 -1.947 1.00 53.24 H new ATOM 0 HH11 ARG A 77 -8.923 -6.027 1.335 1.00 11.23 H new ATOM 0 HH12 ARG A 77 -10.341 -6.767 2.086 1.00 11.23 H new ATOM 0 HH21 ARG A 77 -11.771 -7.774 -0.983 1.00 12.44 H new ATOM 0 HH22 ARG A 77 -11.952 -7.755 0.775 1.00 12.44 H new ATOM 1292 N ASN A 78 -4.375 -3.089 -3.305 1.00 42.45 N ATOM 1293 CA ASN A 78 -3.051 -2.618 -3.701 1.00 64.44 C ATOM 1294 C ASN A 78 -2.672 -1.342 -2.962 1.00 74.40 C ATOM 1295 O ASN A 78 -1.521 -1.157 -2.581 1.00 14.42 O ATOM 1296 CB ASN A 78 -2.987 -2.380 -5.214 1.00 65.51 C ATOM 1297 CG ASN A 78 -3.000 -3.667 -6.022 1.00 11.30 C ATOM 1298 OD1 ASN A 78 -3.566 -4.677 -5.608 1.00 14.40 O ATOM 1299 ND2 ASN A 78 -2.377 -3.638 -7.191 1.00 43.34 N ATOM 0 H ASN A 78 -5.060 -3.090 -4.061 1.00 42.45 H new ATOM 0 HA ASN A 78 -2.336 -3.396 -3.434 1.00 64.44 H new ATOM 0 HB2 ASN A 78 -3.833 -1.761 -5.514 1.00 65.51 H new ATOM 0 HB3 ASN A 78 -2.082 -1.820 -5.449 1.00 65.51 H new ATOM 0 HD21 ASN A 78 -2.357 -4.471 -7.779 1.00 43.34 H new ATOM 0 HD22 ASN A 78 -1.918 -2.782 -7.503 1.00 43.34 H new ATOM 1306 N LEU A 79 -3.642 -0.468 -2.756 1.00 51.31 N ATOM 1307 CA LEU A 79 -3.405 0.770 -2.020 1.00 52.00 C ATOM 1308 C LEU A 79 -3.208 0.486 -0.536 1.00 70.23 C ATOM 1309 O LEU A 79 -2.407 1.140 0.133 1.00 15.04 O ATOM 1310 CB LEU A 79 -4.568 1.746 -2.206 1.00 34.32 C ATOM 1311 CG LEU A 79 -4.762 2.283 -3.624 1.00 52.30 C ATOM 1312 CD1 LEU A 79 -5.966 3.207 -3.672 1.00 23.13 C ATOM 1313 CD2 LEU A 79 -3.513 3.011 -4.100 1.00 5.14 C ATOM 0 H LEU A 79 -4.600 -0.589 -3.085 1.00 51.31 H new ATOM 0 HA LEU A 79 -2.497 1.224 -2.418 1.00 52.00 H new ATOM 0 HB2 LEU A 79 -5.488 1.250 -1.896 1.00 34.32 H new ATOM 0 HB3 LEU A 79 -4.420 2.591 -1.534 1.00 34.32 H new ATOM 0 HG LEU A 79 -4.939 1.440 -4.292 1.00 52.30 H new ATOM 0 HD11 LEU A 79 -6.095 3.584 -4.687 1.00 23.13 H new ATOM 0 HD12 LEU A 79 -6.859 2.658 -3.373 1.00 23.13 H new ATOM 0 HD13 LEU A 79 -5.810 4.044 -2.991 1.00 23.13 H new ATOM 0 HD21 LEU A 79 -3.673 3.385 -5.111 1.00 5.14 H new ATOM 0 HD22 LEU A 79 -3.303 3.847 -3.433 1.00 5.14 H new ATOM 0 HD23 LEU A 79 -2.668 2.323 -4.097 1.00 5.14 H new ATOM 1325 N SER A 80 -3.935 -0.503 -0.032 1.00 71.32 N ATOM 1326 CA SER A 80 -3.884 -0.850 1.379 1.00 42.30 C ATOM 1327 C SER A 80 -2.505 -1.376 1.774 1.00 33.05 C ATOM 1328 O SER A 80 -2.119 -1.273 2.935 1.00 71.32 O ATOM 1329 CB SER A 80 -4.963 -1.886 1.715 1.00 34.33 C ATOM 1330 OG SER A 80 -5.001 -2.162 3.108 1.00 3.03 O ATOM 0 H SER A 80 -4.569 -1.080 -0.584 1.00 71.32 H new ATOM 0 HA SER A 80 -4.074 0.058 1.952 1.00 42.30 H new ATOM 0 HB2 SER A 80 -5.936 -1.519 1.389 1.00 34.33 H new ATOM 0 HB3 SER A 80 -4.769 -2.807 1.165 1.00 34.33 H new ATOM 0 HG SER A 80 -5.699 -2.825 3.291 1.00 3.03 H new ATOM 1336 N THR A 81 -1.766 -1.931 0.817 1.00 53.23 N ATOM 1337 CA THR A 81 -0.432 -2.451 1.099 1.00 45.31 C ATOM 1338 C THR A 81 0.498 -1.323 1.544 1.00 34.24 C ATOM 1339 O THR A 81 1.162 -1.416 2.578 1.00 62.35 O ATOM 1340 CB THR A 81 0.177 -3.174 -0.125 1.00 0.42 C ATOM 1341 OG1 THR A 81 0.374 -2.256 -1.207 1.00 23.52 O ATOM 1342 CG2 THR A 81 -0.719 -4.313 -0.586 1.00 15.45 C ATOM 0 H THR A 81 -2.065 -2.032 -0.153 1.00 53.23 H new ATOM 0 HA THR A 81 -0.534 -3.179 1.904 1.00 45.31 H new ATOM 0 HB THR A 81 1.140 -3.583 0.179 1.00 0.42 H new ATOM 0 HG1 THR A 81 -0.496 -1.982 -1.566 1.00 23.52 H new ATOM 0 HG21 THR A 81 -0.268 -4.805 -1.448 1.00 15.45 H new ATOM 0 HG22 THR A 81 -0.836 -5.034 0.223 1.00 15.45 H new ATOM 0 HG23 THR A 81 -1.696 -3.918 -0.864 1.00 15.45 H new ATOM 1350 N ILE A 82 0.510 -0.247 0.765 1.00 1.12 N ATOM 1351 CA ILE A 82 1.301 0.931 1.081 1.00 42.22 C ATOM 1352 C ILE A 82 0.812 1.558 2.381 1.00 71.24 C ATOM 1353 O ILE A 82 1.604 1.965 3.232 1.00 24.13 O ATOM 1354 CB ILE A 82 1.215 1.966 -0.066 1.00 51.10 C ATOM 1355 CG1 ILE A 82 1.723 1.353 -1.375 1.00 2.41 C ATOM 1356 CG2 ILE A 82 2.003 3.225 0.274 1.00 52.51 C ATOM 1357 CD1 ILE A 82 1.614 2.284 -2.566 1.00 4.13 C ATOM 0 H ILE A 82 -0.027 -0.169 -0.099 1.00 1.12 H new ATOM 0 HA ILE A 82 2.341 0.626 1.200 1.00 42.22 H new ATOM 0 HB ILE A 82 0.169 2.247 -0.193 1.00 51.10 H new ATOM 0 HG12 ILE A 82 2.765 1.060 -1.248 1.00 2.41 H new ATOM 0 HG13 ILE A 82 1.159 0.444 -1.583 1.00 2.41 H new ATOM 0 HG21 ILE A 82 1.926 3.936 -0.549 1.00 52.51 H new ATOM 0 HG22 ILE A 82 1.598 3.674 1.181 1.00 52.51 H new ATOM 0 HG23 ILE A 82 3.050 2.967 0.434 1.00 52.51 H new ATOM 0 HD11 ILE A 82 1.992 1.782 -3.456 1.00 4.13 H new ATOM 0 HD12 ILE A 82 0.570 2.558 -2.720 1.00 4.13 H new ATOM 0 HD13 ILE A 82 2.201 3.183 -2.380 1.00 4.13 H new ATOM 1369 N LYS A 83 -0.503 1.597 2.537 1.00 25.34 N ATOM 1370 CA LYS A 83 -1.123 2.172 3.722 1.00 74.12 C ATOM 1371 C LYS A 83 -0.642 1.473 4.993 1.00 53.24 C ATOM 1372 O LYS A 83 -0.515 2.111 6.031 1.00 52.32 O ATOM 1373 CB LYS A 83 -2.653 2.109 3.581 1.00 11.12 C ATOM 1374 CG LYS A 83 -3.425 2.732 4.736 1.00 53.41 C ATOM 1375 CD LYS A 83 -3.748 1.707 5.809 1.00 71.44 C ATOM 1376 CE LYS A 83 -4.552 2.314 6.946 1.00 75.02 C ATOM 1377 NZ LYS A 83 -4.954 1.288 7.940 1.00 43.32 N ATOM 0 H LYS A 83 -1.166 1.234 1.852 1.00 25.34 H new ATOM 0 HA LYS A 83 -0.826 3.217 3.809 1.00 74.12 H new ATOM 0 HB2 LYS A 83 -2.940 2.611 2.657 1.00 11.12 H new ATOM 0 HB3 LYS A 83 -2.952 1.066 3.483 1.00 11.12 H new ATOM 0 HG2 LYS A 83 -2.840 3.543 5.170 1.00 53.41 H new ATOM 0 HG3 LYS A 83 -4.350 3.171 4.362 1.00 53.41 H new ATOM 0 HD2 LYS A 83 -4.308 0.883 5.367 1.00 71.44 H new ATOM 0 HD3 LYS A 83 -2.822 1.288 6.202 1.00 71.44 H new ATOM 0 HE2 LYS A 83 -3.961 3.086 7.438 1.00 75.02 H new ATOM 0 HE3 LYS A 83 -5.441 2.800 6.544 1.00 75.02 H new ATOM 0 HZ1 LYS A 83 -5.501 1.738 8.702 1.00 43.32 H new ATOM 0 HZ2 LYS A 83 -5.539 0.564 7.475 1.00 43.32 H new ATOM 0 HZ3 LYS A 83 -4.105 0.842 8.341 1.00 43.32 H new ATOM 1391 N ILE A 84 -0.335 0.182 4.904 1.00 11.33 N ATOM 1392 CA ILE A 84 0.141 -0.560 6.069 1.00 14.43 C ATOM 1393 C ILE A 84 1.438 0.041 6.614 1.00 33.24 C ATOM 1394 O ILE A 84 1.533 0.340 7.808 1.00 4.24 O ATOM 1395 CB ILE A 84 0.366 -2.059 5.752 1.00 24.33 C ATOM 1396 CG1 ILE A 84 -0.952 -2.730 5.347 1.00 0.35 C ATOM 1397 CG2 ILE A 84 0.987 -2.783 6.943 1.00 21.22 C ATOM 1398 CD1 ILE A 84 -2.034 -2.645 6.403 1.00 34.13 C ATOM 0 H ILE A 84 -0.406 -0.368 4.048 1.00 11.33 H new ATOM 0 HA ILE A 84 -0.640 -0.481 6.825 1.00 14.43 H new ATOM 0 HB ILE A 84 1.060 -2.124 4.914 1.00 24.33 H new ATOM 0 HG12 ILE A 84 -1.316 -2.268 4.429 1.00 0.35 H new ATOM 0 HG13 ILE A 84 -0.760 -3.779 5.121 1.00 0.35 H new ATOM 0 HG21 ILE A 84 1.134 -3.834 6.694 1.00 21.22 H new ATOM 0 HG22 ILE A 84 1.948 -2.329 7.184 1.00 21.22 H new ATOM 0 HG23 ILE A 84 0.323 -2.704 7.804 1.00 21.22 H new ATOM 0 HD11 ILE A 84 -2.934 -3.142 6.042 1.00 34.13 H new ATOM 0 HD12 ILE A 84 -1.691 -3.133 7.315 1.00 34.13 H new ATOM 0 HD13 ILE A 84 -2.256 -1.599 6.613 1.00 34.13 H new ATOM 1410 N TYR A 85 2.434 0.232 5.749 1.00 23.35 N ATOM 1411 CA TYR A 85 3.720 0.734 6.202 1.00 54.22 C ATOM 1412 C TYR A 85 3.625 2.223 6.524 1.00 21.12 C ATOM 1413 O TYR A 85 4.267 2.704 7.456 1.00 32.54 O ATOM 1414 CB TYR A 85 4.831 0.442 5.173 1.00 73.32 C ATOM 1415 CG TYR A 85 5.123 1.559 4.188 1.00 45.31 C ATOM 1416 CD1 TYR A 85 5.974 2.607 4.529 1.00 74.11 C ATOM 1417 CD2 TYR A 85 4.557 1.564 2.923 1.00 12.40 C ATOM 1418 CE1 TYR A 85 6.243 3.626 3.638 1.00 72.41 C ATOM 1419 CE2 TYR A 85 4.824 2.580 2.027 1.00 2.50 C ATOM 1420 CZ TYR A 85 5.665 3.607 2.390 1.00 33.21 C ATOM 1421 OH TYR A 85 5.923 4.624 1.501 1.00 73.21 O ATOM 0 H TYR A 85 2.373 0.049 4.747 1.00 23.35 H new ATOM 0 HA TYR A 85 3.991 0.209 7.118 1.00 54.22 H new ATOM 0 HB2 TYR A 85 5.749 0.209 5.713 1.00 73.32 H new ATOM 0 HB3 TYR A 85 4.556 -0.451 4.611 1.00 73.32 H new ATOM 0 HD1 TYR A 85 6.431 2.623 5.507 1.00 74.11 H new ATOM 0 HD2 TYR A 85 3.896 0.760 2.633 1.00 12.40 H new ATOM 0 HE1 TYR A 85 6.903 4.433 3.919 1.00 72.41 H new ATOM 0 HE2 TYR A 85 4.375 2.569 1.045 1.00 2.50 H new ATOM 0 HH TYR A 85 6.856 4.572 1.206 1.00 73.21 H new ATOM 1431 N VAL A 86 2.809 2.946 5.760 1.00 53.33 N ATOM 1432 CA VAL A 86 2.603 4.368 6.006 1.00 72.54 C ATOM 1433 C VAL A 86 1.939 4.575 7.364 1.00 73.00 C ATOM 1434 O VAL A 86 2.368 5.413 8.153 1.00 35.11 O ATOM 1435 CB VAL A 86 1.746 5.023 4.902 1.00 65.12 C ATOM 1436 CG1 VAL A 86 1.408 6.462 5.258 1.00 10.33 C ATOM 1437 CG2 VAL A 86 2.465 4.974 3.563 1.00 33.34 C ATOM 0 H VAL A 86 2.283 2.572 4.970 1.00 53.33 H new ATOM 0 HA VAL A 86 3.582 4.847 5.999 1.00 72.54 H new ATOM 0 HB VAL A 86 0.817 4.458 4.823 1.00 65.12 H new ATOM 0 HG11 VAL A 86 0.804 6.901 4.464 1.00 10.33 H new ATOM 0 HG12 VAL A 86 0.849 6.484 6.194 1.00 10.33 H new ATOM 0 HG13 VAL A 86 2.329 7.034 5.372 1.00 10.33 H new ATOM 0 HG21 VAL A 86 1.843 5.441 2.799 1.00 33.34 H new ATOM 0 HG22 VAL A 86 3.411 5.510 3.638 1.00 33.34 H new ATOM 0 HG23 VAL A 86 2.656 3.936 3.291 1.00 33.34 H new ATOM 1447 N SER A 87 0.913 3.780 7.635 1.00 2.15 N ATOM 1448 CA SER A 87 0.216 3.814 8.914 1.00 60.21 C ATOM 1449 C SER A 87 1.186 3.585 10.076 1.00 63.11 C ATOM 1450 O SER A 87 1.031 4.165 11.151 1.00 5.44 O ATOM 1451 CB SER A 87 -0.894 2.762 8.916 1.00 10.22 C ATOM 1452 OG SER A 87 -2.172 3.368 8.805 1.00 62.25 O ATOM 0 H SER A 87 0.541 3.095 6.977 1.00 2.15 H new ATOM 0 HA SER A 87 -0.227 4.801 9.049 1.00 60.21 H new ATOM 0 HB2 SER A 87 -0.744 2.069 8.088 1.00 10.22 H new ATOM 0 HB3 SER A 87 -0.844 2.178 9.835 1.00 10.22 H new ATOM 0 HG SER A 87 -2.838 2.814 9.263 1.00 62.25 H new ATOM 1458 N ALA A 88 2.192 2.750 9.844 1.00 32.44 N ATOM 1459 CA ALA A 88 3.217 2.493 10.848 1.00 31.01 C ATOM 1460 C ALA A 88 4.170 3.681 10.964 1.00 21.23 C ATOM 1461 O ALA A 88 4.581 4.057 12.063 1.00 10.51 O ATOM 1462 CB ALA A 88 3.985 1.224 10.509 1.00 2.25 C ATOM 0 H ALA A 88 2.320 2.240 8.970 1.00 32.44 H new ATOM 0 HA ALA A 88 2.726 2.355 11.811 1.00 31.01 H new ATOM 0 HB1 ALA A 88 4.747 1.046 11.268 1.00 2.25 H new ATOM 0 HB2 ALA A 88 3.297 0.379 10.480 1.00 2.25 H new ATOM 0 HB3 ALA A 88 4.462 1.337 9.536 1.00 2.25 H new ATOM 1468 N ALA A 89 4.494 4.282 9.822 1.00 64.11 N ATOM 1469 CA ALA A 89 5.408 5.420 9.771 1.00 62.24 C ATOM 1470 C ALA A 89 4.792 6.659 10.409 1.00 63.54 C ATOM 1471 O ALA A 89 5.507 7.558 10.851 1.00 34.52 O ATOM 1472 CB ALA A 89 5.812 5.711 8.333 1.00 3.23 C ATOM 0 H ALA A 89 4.133 3.996 8.912 1.00 64.11 H new ATOM 0 HA ALA A 89 6.298 5.158 10.343 1.00 62.24 H new ATOM 0 HB1 ALA A 89 6.493 6.562 8.311 1.00 3.23 H new ATOM 0 HB2 ALA A 89 6.309 4.837 7.911 1.00 3.23 H new ATOM 0 HB3 ALA A 89 4.924 5.943 7.745 1.00 3.23 H new ATOM 1478 N ILE A 90 3.470 6.712 10.435 1.00 33.04 N ATOM 1479 CA ILE A 90 2.769 7.801 11.095 1.00 4.34 C ATOM 1480 C ILE A 90 2.703 7.547 12.598 1.00 73.01 C ATOM 1481 O ILE A 90 2.704 8.480 13.401 1.00 11.32 O ATOM 1482 CB ILE A 90 1.336 7.986 10.538 1.00 13.13 C ATOM 1483 CG1 ILE A 90 1.372 8.183 9.022 1.00 21.31 C ATOM 1484 CG2 ILE A 90 0.648 9.168 11.206 1.00 2.13 C ATOM 1485 CD1 ILE A 90 0.002 8.249 8.383 1.00 34.13 C ATOM 0 H ILE A 90 2.861 6.014 10.007 1.00 33.04 H new ATOM 0 HA ILE A 90 3.328 8.716 10.898 1.00 4.34 H new ATOM 0 HB ILE A 90 0.766 7.084 10.759 1.00 13.13 H new ATOM 0 HG12 ILE A 90 1.912 9.102 8.797 1.00 21.31 H new ATOM 0 HG13 ILE A 90 1.934 7.365 8.572 1.00 21.31 H new ATOM 0 HG21 ILE A 90 -0.357 9.281 10.800 1.00 2.13 H new ATOM 0 HG22 ILE A 90 0.589 8.995 12.280 1.00 2.13 H new ATOM 0 HG23 ILE A 90 1.220 10.076 11.016 1.00 2.13 H new ATOM 0 HD11 ILE A 90 0.109 8.390 7.307 1.00 34.13 H new ATOM 0 HD12 ILE A 90 -0.535 7.320 8.576 1.00 34.13 H new ATOM 0 HD13 ILE A 90 -0.556 9.085 8.805 1.00 34.13 H new ATOM 1497 N LYS A 91 2.674 6.274 12.971 1.00 4.40 N ATOM 1498 CA LYS A 91 2.540 5.893 14.370 1.00 32.44 C ATOM 1499 C LYS A 91 3.834 6.193 15.111 1.00 22.24 C ATOM 1500 O LYS A 91 3.818 6.732 16.219 1.00 61.12 O ATOM 1501 CB LYS A 91 2.168 4.406 14.488 1.00 42.42 C ATOM 1502 CG LYS A 91 1.842 3.957 15.908 1.00 0.21 C ATOM 1503 CD LYS A 91 3.083 3.522 16.675 1.00 34.12 C ATOM 1504 CE LYS A 91 2.820 3.445 18.174 1.00 43.13 C ATOM 1505 NZ LYS A 91 1.681 2.546 18.510 1.00 40.13 N ATOM 0 H LYS A 91 2.741 5.488 12.324 1.00 4.40 H new ATOM 0 HA LYS A 91 1.738 6.475 14.824 1.00 32.44 H new ATOM 0 HB2 LYS A 91 1.308 4.206 13.849 1.00 42.42 H new ATOM 0 HB3 LYS A 91 2.994 3.805 14.109 1.00 42.42 H new ATOM 0 HG2 LYS A 91 1.355 4.773 16.442 1.00 0.21 H new ATOM 0 HG3 LYS A 91 1.132 3.131 15.872 1.00 0.21 H new ATOM 0 HD2 LYS A 91 3.412 2.548 16.313 1.00 34.12 H new ATOM 0 HD3 LYS A 91 3.894 4.224 16.483 1.00 34.12 H new ATOM 0 HE2 LYS A 91 3.719 3.091 18.679 1.00 43.13 H new ATOM 0 HE3 LYS A 91 2.613 4.445 18.555 1.00 43.13 H new ATOM 0 HZ1 LYS A 91 1.629 2.422 19.541 1.00 40.13 H new ATOM 0 HZ2 LYS A 91 0.794 2.967 18.167 1.00 40.13 H new ATOM 0 HZ3 LYS A 91 1.824 1.621 18.057 1.00 40.13 H new ATOM 1519 N LYS A 92 4.953 5.846 14.491 1.00 51.34 N ATOM 1520 CA LYS A 92 6.258 6.177 15.035 1.00 5.15 C ATOM 1521 C LYS A 92 7.339 5.951 13.987 1.00 24.52 C ATOM 1522 O LYS A 92 8.103 4.989 14.054 1.00 33.51 O ATOM 1523 CB LYS A 92 6.565 5.362 16.291 1.00 71.33 C ATOM 1524 CG LYS A 92 7.697 5.946 17.114 1.00 14.12 C ATOM 1525 CD LYS A 92 7.348 7.335 17.619 1.00 64.04 C ATOM 1526 CE LYS A 92 8.463 7.925 18.460 1.00 74.23 C ATOM 1527 NZ LYS A 92 8.114 9.277 18.963 1.00 23.21 N ATOM 0 H LYS A 92 4.981 5.334 13.609 1.00 51.34 H new ATOM 0 HA LYS A 92 6.244 7.230 15.314 1.00 5.15 H new ATOM 0 HB2 LYS A 92 5.668 5.303 16.907 1.00 71.33 H new ATOM 0 HB3 LYS A 92 6.821 4.343 16.002 1.00 71.33 H new ATOM 0 HG2 LYS A 92 7.911 5.292 17.959 1.00 14.12 H new ATOM 0 HG3 LYS A 92 8.603 5.993 16.510 1.00 14.12 H new ATOM 0 HD2 LYS A 92 7.147 7.990 16.771 1.00 64.04 H new ATOM 0 HD3 LYS A 92 6.433 7.288 18.210 1.00 64.04 H new ATOM 0 HE2 LYS A 92 8.671 7.266 19.303 1.00 74.23 H new ATOM 0 HE3 LYS A 92 9.376 7.982 17.867 1.00 74.23 H new ATOM 0 HZ1 LYS A 92 8.900 9.649 19.534 1.00 23.21 H new ATOM 0 HZ2 LYS A 92 7.940 9.912 18.158 1.00 23.21 H new ATOM 0 HZ3 LYS A 92 7.257 9.219 19.550 1.00 23.21 H new ATOM 1541 N GLY A 93 7.360 6.824 12.999 1.00 74.12 N ATOM 1542 CA GLY A 93 8.376 6.757 11.971 1.00 33.43 C ATOM 1543 C GLY A 93 8.881 8.127 11.568 1.00 74.44 C ATOM 1544 O GLY A 93 9.962 8.547 11.987 1.00 72.31 O ATOM 0 H GLY A 93 6.688 7.584 12.888 1.00 74.12 H new ATOM 0 HA2 GLY A 93 9.212 6.155 12.329 1.00 33.43 H new ATOM 0 HA3 GLY A 93 7.970 6.250 11.095 1.00 33.43 H new ATOM 1548 N TYR A 94 8.095 8.830 10.766 1.00 22.13 N ATOM 1549 CA TYR A 94 8.497 10.136 10.258 1.00 64.34 C ATOM 1550 C TYR A 94 7.287 10.928 9.773 1.00 12.02 C ATOM 1551 O TYR A 94 7.239 12.151 9.908 1.00 64.41 O ATOM 1552 CB TYR A 94 9.498 9.953 9.116 1.00 55.42 C ATOM 1553 CG TYR A 94 10.245 11.213 8.735 1.00 51.20 C ATOM 1554 CD1 TYR A 94 11.377 11.608 9.439 1.00 74.55 C ATOM 1555 CD2 TYR A 94 9.826 12.002 7.671 1.00 11.25 C ATOM 1556 CE1 TYR A 94 12.067 12.753 9.096 1.00 21.41 C ATOM 1557 CE2 TYR A 94 10.512 13.150 7.321 1.00 61.35 C ATOM 1558 CZ TYR A 94 11.631 13.520 8.037 1.00 24.13 C ATOM 1559 OH TYR A 94 12.320 14.662 7.692 1.00 4.52 O ATOM 0 H TYR A 94 7.175 8.519 10.452 1.00 22.13 H new ATOM 0 HA TYR A 94 8.965 10.697 11.067 1.00 64.34 H new ATOM 0 HB2 TYR A 94 10.221 9.188 9.401 1.00 55.42 H new ATOM 0 HB3 TYR A 94 8.968 9.580 8.240 1.00 55.42 H new ATOM 0 HD1 TYR A 94 11.722 11.009 10.268 1.00 74.55 H new ATOM 0 HD2 TYR A 94 8.950 11.714 7.108 1.00 11.25 H new ATOM 0 HE1 TYR A 94 12.944 13.046 9.654 1.00 21.41 H new ATOM 0 HE2 TYR A 94 10.174 13.754 6.492 1.00 61.35 H new ATOM 0 HH TYR A 94 11.884 15.088 6.924 1.00 4.52 H new ATOM 1569 N MET A 95 6.317 10.224 9.204 1.00 3.11 N ATOM 1570 CA MET A 95 5.114 10.850 8.678 1.00 64.31 C ATOM 1571 C MET A 95 4.275 11.451 9.798 1.00 22.42 C ATOM 1572 O MET A 95 3.873 10.757 10.729 1.00 14.53 O ATOM 1573 CB MET A 95 4.294 9.826 7.895 1.00 14.44 C ATOM 1574 CG MET A 95 4.870 9.493 6.531 1.00 11.33 C ATOM 1575 SD MET A 95 4.818 10.896 5.402 1.00 72.14 S ATOM 1576 CE MET A 95 3.047 11.080 5.171 1.00 11.40 C ATOM 0 H MET A 95 6.342 9.210 9.095 1.00 3.11 H new ATOM 0 HA MET A 95 5.412 11.658 8.009 1.00 64.31 H new ATOM 0 HB2 MET A 95 4.219 8.910 8.481 1.00 14.44 H new ATOM 0 HB3 MET A 95 3.281 10.207 7.768 1.00 14.44 H new ATOM 0 HG2 MET A 95 5.902 9.161 6.647 1.00 11.33 H new ATOM 0 HG3 MET A 95 4.314 8.661 6.098 1.00 11.33 H new ATOM 0 HE1 MET A 95 2.855 11.629 4.249 1.00 11.40 H new ATOM 0 HE2 MET A 95 2.584 10.095 5.110 1.00 11.40 H new ATOM 0 HE3 MET A 95 2.625 11.628 6.013 1.00 11.40 H new ATOM 1586 N GLU A 96 4.037 12.751 9.705 1.00 42.52 N ATOM 1587 CA GLU A 96 3.251 13.463 10.705 1.00 50.33 C ATOM 1588 C GLU A 96 1.768 13.313 10.425 1.00 5.01 C ATOM 1589 O GLU A 96 0.962 13.111 11.332 1.00 1.31 O ATOM 1590 CB GLU A 96 3.594 14.952 10.689 1.00 53.33 C ATOM 1591 CG GLU A 96 3.047 15.719 11.879 1.00 51.32 C ATOM 1592 CD GLU A 96 3.290 17.206 11.761 1.00 41.33 C ATOM 1593 OE1 GLU A 96 4.466 17.613 11.679 1.00 45.34 O ATOM 1594 OE2 GLU A 96 2.306 17.976 11.730 1.00 64.51 O ATOM 0 H GLU A 96 4.378 13.338 8.944 1.00 42.52 H new ATOM 0 HA GLU A 96 3.488 13.035 11.679 1.00 50.33 H new ATOM 0 HB2 GLU A 96 4.678 15.065 10.662 1.00 53.33 H new ATOM 0 HB3 GLU A 96 3.204 15.395 9.773 1.00 53.33 H new ATOM 0 HG2 GLU A 96 1.977 15.534 11.968 1.00 51.32 H new ATOM 0 HG3 GLU A 96 3.511 15.348 12.793 1.00 51.32 H new ATOM 1601 N ASN A 97 1.421 13.414 9.157 1.00 42.01 N ATOM 1602 CA ASN A 97 0.036 13.527 8.762 1.00 23.14 C ATOM 1603 C ASN A 97 -0.397 12.336 7.933 1.00 53.31 C ATOM 1604 O ASN A 97 0.434 11.583 7.422 1.00 50.51 O ATOM 1605 CB ASN A 97 -0.169 14.821 7.985 1.00 51.32 C ATOM 1606 CG ASN A 97 -1.396 15.570 8.447 1.00 74.41 C ATOM 1607 OD1 ASN A 97 -2.413 14.968 8.798 1.00 60.15 O ATOM 1608 ND2 ASN A 97 -1.294 16.885 8.485 1.00 44.10 N ATOM 0 H ASN A 97 2.084 13.420 8.382 1.00 42.01 H new ATOM 0 HA ASN A 97 -0.581 13.544 9.661 1.00 23.14 H new ATOM 0 HB2 ASN A 97 0.709 15.457 8.101 1.00 51.32 H new ATOM 0 HB3 ASN A 97 -0.261 14.595 6.923 1.00 51.32 H new ATOM 0 HD21 ASN A 97 -2.078 17.448 8.815 1.00 44.10 H new ATOM 0 HD22 ASN A 97 -0.431 17.339 8.184 1.00 44.10 H new ATOM 1615 N ASP A 98 -1.700 12.188 7.801 1.00 41.42 N ATOM 1616 CA ASP A 98 -2.287 11.032 7.160 1.00 71.11 C ATOM 1617 C ASP A 98 -2.585 11.301 5.689 1.00 14.25 C ATOM 1618 O ASP A 98 -2.977 12.407 5.318 1.00 65.34 O ATOM 1619 CB ASP A 98 -3.585 10.672 7.879 1.00 45.53 C ATOM 1620 CG ASP A 98 -3.358 10.054 9.241 1.00 62.34 C ATOM 1621 OD1 ASP A 98 -3.145 10.810 10.211 1.00 32.00 O ATOM 1622 OD2 ASP A 98 -3.421 8.815 9.358 1.00 1.12 O ATOM 0 H ASP A 98 -2.382 12.868 8.137 1.00 41.42 H new ATOM 0 HA ASP A 98 -1.575 10.209 7.216 1.00 71.11 H new ATOM 0 HB2 ASP A 98 -4.192 11.570 7.991 1.00 45.53 H new ATOM 0 HB3 ASP A 98 -4.154 9.977 7.262 1.00 45.53 H new ATOM 1627 N PRO A 99 -2.406 10.279 4.841 1.00 53.32 N ATOM 1628 CA PRO A 99 -2.775 10.314 3.423 1.00 31.11 C ATOM 1629 C PRO A 99 -4.255 10.026 3.220 1.00 54.22 C ATOM 1630 O PRO A 99 -4.746 9.997 2.098 1.00 42.31 O ATOM 1631 CB PRO A 99 -1.920 9.204 2.792 1.00 30.15 C ATOM 1632 CG PRO A 99 -1.086 8.642 3.902 1.00 5.35 C ATOM 1633 CD PRO A 99 -1.778 9.003 5.180 1.00 40.53 C ATOM 0 HA PRO A 99 -2.602 11.295 2.979 1.00 31.11 H new ATOM 0 HB2 PRO A 99 -2.549 8.432 2.348 1.00 30.15 H new ATOM 0 HB3 PRO A 99 -1.292 9.601 1.995 1.00 30.15 H new ATOM 0 HG2 PRO A 99 -0.990 7.561 3.805 1.00 5.35 H new ATOM 0 HG3 PRO A 99 -0.078 9.055 3.877 1.00 5.35 H new ATOM 0 HD2 PRO A 99 -2.513 8.252 5.471 1.00 40.53 H new ATOM 0 HD3 PRO A 99 -1.077 9.102 6.009 1.00 40.53 H new ATOM 1641 N PHE A 100 -4.950 9.760 4.314 1.00 55.02 N ATOM 1642 CA PHE A 100 -6.385 9.521 4.271 1.00 64.34 C ATOM 1643 C PHE A 100 -7.094 10.403 5.272 1.00 40.21 C ATOM 1644 O PHE A 100 -8.189 10.112 5.750 1.00 71.35 O ATOM 1645 CB PHE A 100 -6.687 8.066 4.530 1.00 43.42 C ATOM 1646 CG PHE A 100 -6.033 7.479 5.751 1.00 44.21 C ATOM 1647 CD1 PHE A 100 -4.776 6.901 5.668 1.00 14.23 C ATOM 1648 CD2 PHE A 100 -6.683 7.484 6.975 1.00 72.54 C ATOM 1649 CE1 PHE A 100 -4.179 6.342 6.780 1.00 3.22 C ATOM 1650 CE2 PHE A 100 -6.089 6.929 8.092 1.00 44.33 C ATOM 1651 CZ PHE A 100 -4.836 6.357 7.994 1.00 33.25 C ATOM 0 H PHE A 100 -4.542 9.704 5.247 1.00 55.02 H new ATOM 0 HA PHE A 100 -6.750 9.771 3.275 1.00 64.34 H new ATOM 0 HB2 PHE A 100 -7.766 7.948 4.624 1.00 43.42 H new ATOM 0 HB3 PHE A 100 -6.378 7.488 3.659 1.00 43.42 H new ATOM 0 HD1 PHE A 100 -4.257 6.888 4.721 1.00 14.23 H new ATOM 0 HD2 PHE A 100 -7.665 7.927 7.057 1.00 72.54 H new ATOM 0 HE1 PHE A 100 -3.200 5.894 6.700 1.00 3.22 H new ATOM 0 HE2 PHE A 100 -6.604 6.942 9.041 1.00 44.33 H new ATOM 0 HZ PHE A 100 -4.371 5.922 8.866 1.00 33.25 H new ATOM 1661 N LYS A 101 -6.441 11.490 5.552 1.00 11.33 N ATOM 1662 CA LYS A 101 -6.919 12.481 6.496 1.00 64.20 C ATOM 1663 C LYS A 101 -7.946 13.400 5.830 1.00 74.42 C ATOM 1664 O LYS A 101 -8.944 13.781 6.445 1.00 65.33 O ATOM 1665 CB LYS A 101 -5.715 13.258 7.039 1.00 64.21 C ATOM 1666 CG LYS A 101 -6.048 14.499 7.841 1.00 55.42 C ATOM 1667 CD LYS A 101 -5.879 15.761 7.012 1.00 31.40 C ATOM 1668 CE LYS A 101 -4.485 15.864 6.406 1.00 71.11 C ATOM 1669 NZ LYS A 101 -4.443 15.396 4.993 1.00 2.44 N ATOM 0 H LYS A 101 -5.544 11.727 5.128 1.00 11.33 H new ATOM 0 HA LYS A 101 -7.426 11.997 7.331 1.00 64.20 H new ATOM 0 HB2 LYS A 101 -5.125 12.589 7.666 1.00 64.21 H new ATOM 0 HB3 LYS A 101 -5.083 13.548 6.200 1.00 64.21 H new ATOM 0 HG2 LYS A 101 -7.074 14.435 8.203 1.00 55.42 H new ATOM 0 HG3 LYS A 101 -5.403 14.550 8.718 1.00 55.42 H new ATOM 0 HD2 LYS A 101 -6.622 15.773 6.215 1.00 31.40 H new ATOM 0 HD3 LYS A 101 -6.068 16.634 7.637 1.00 31.40 H new ATOM 0 HE2 LYS A 101 -4.147 16.899 6.453 1.00 71.11 H new ATOM 0 HE3 LYS A 101 -3.788 15.274 7.002 1.00 71.11 H new ATOM 0 HZ1 LYS A 101 -3.463 15.163 4.733 1.00 2.44 H new ATOM 0 HZ2 LYS A 101 -5.039 14.550 4.890 1.00 2.44 H new ATOM 0 HZ3 LYS A 101 -4.797 16.148 4.368 1.00 2.44 H new ATOM 1683 N ASP A 102 -7.701 13.732 4.567 1.00 73.53 N ATOM 1684 CA ASP A 102 -8.626 14.540 3.776 1.00 41.30 C ATOM 1685 C ASP A 102 -9.369 13.672 2.769 1.00 2.35 C ATOM 1686 O ASP A 102 -10.065 14.184 1.894 1.00 75.42 O ATOM 1687 CB ASP A 102 -7.871 15.627 3.009 1.00 63.53 C ATOM 1688 CG ASP A 102 -7.503 16.827 3.852 1.00 13.05 C ATOM 1689 OD1 ASP A 102 -8.412 17.578 4.258 1.00 32.25 O ATOM 1690 OD2 ASP A 102 -6.295 17.038 4.094 1.00 43.33 O ATOM 0 H ASP A 102 -6.860 13.451 4.063 1.00 73.53 H new ATOM 0 HA ASP A 102 -9.335 14.998 4.466 1.00 41.30 H new ATOM 0 HB2 ASP A 102 -6.961 15.197 2.590 1.00 63.53 H new ATOM 0 HB3 ASP A 102 -8.483 15.958 2.170 1.00 63.53 H new ATOM 1695 N PHE A 103 -9.212 12.361 2.902 1.00 72.53 N ATOM 1696 CA PHE A 103 -9.709 11.417 1.905 1.00 51.13 C ATOM 1697 C PHE A 103 -11.229 11.498 1.777 1.00 12.44 C ATOM 1698 O PHE A 103 -11.753 11.839 0.716 1.00 2.33 O ATOM 1699 CB PHE A 103 -9.282 9.994 2.275 1.00 10.43 C ATOM 1700 CG PHE A 103 -9.334 9.022 1.131 1.00 32.13 C ATOM 1701 CD1 PHE A 103 -10.530 8.443 0.742 1.00 4.53 C ATOM 1702 CD2 PHE A 103 -8.178 8.689 0.445 1.00 53.35 C ATOM 1703 CE1 PHE A 103 -10.574 7.551 -0.310 1.00 10.40 C ATOM 1704 CE2 PHE A 103 -8.214 7.797 -0.608 1.00 31.51 C ATOM 1705 CZ PHE A 103 -9.414 7.227 -0.987 1.00 1.10 C ATOM 0 H PHE A 103 -8.742 11.924 3.695 1.00 72.53 H new ATOM 0 HA PHE A 103 -9.277 11.681 0.940 1.00 51.13 H new ATOM 0 HB2 PHE A 103 -8.266 10.022 2.669 1.00 10.43 H new ATOM 0 HB3 PHE A 103 -9.925 9.630 3.077 1.00 10.43 H new ATOM 0 HD1 PHE A 103 -11.440 8.692 1.268 1.00 4.53 H new ATOM 0 HD2 PHE A 103 -7.237 9.132 0.737 1.00 53.35 H new ATOM 0 HE1 PHE A 103 -11.514 7.107 -0.604 1.00 10.40 H new ATOM 0 HE2 PHE A 103 -7.305 7.545 -1.135 1.00 31.51 H new ATOM 0 HZ PHE A 103 -9.445 6.529 -1.811 1.00 1.10 H new ATOM 1715 N GLY A 104 -11.933 11.177 2.855 1.00 53.11 N ATOM 1716 CA GLY A 104 -13.381 11.250 2.831 1.00 74.24 C ATOM 1717 C GLY A 104 -13.972 11.542 4.194 1.00 24.43 C ATOM 1718 O GLY A 104 -15.170 11.355 4.412 1.00 74.21 O ATOM 0 H GLY A 104 -11.530 10.869 3.740 1.00 53.11 H new ATOM 0 HA2 GLY A 104 -13.690 12.026 2.131 1.00 74.24 H new ATOM 0 HA3 GLY A 104 -13.783 10.307 2.459 1.00 74.24 H new ATOM 1722 N LEU A 105 -13.138 12.012 5.109 1.00 61.34 N ATOM 1723 CA LEU A 105 -13.575 12.279 6.471 1.00 73.40 C ATOM 1724 C LEU A 105 -13.163 13.687 6.884 1.00 63.50 C ATOM 1725 O LEU A 105 -12.035 13.916 7.326 1.00 12.41 O ATOM 1726 CB LEU A 105 -12.991 11.225 7.425 1.00 21.14 C ATOM 1727 CG LEU A 105 -13.695 11.081 8.780 1.00 2.23 C ATOM 1728 CD1 LEU A 105 -13.351 9.743 9.409 1.00 2.34 C ATOM 1729 CD2 LEU A 105 -13.307 12.202 9.727 1.00 21.33 C ATOM 0 H LEU A 105 -12.154 12.217 4.933 1.00 61.34 H new ATOM 0 HA LEU A 105 -14.662 12.217 6.522 1.00 73.40 H new ATOM 0 HB2 LEU A 105 -13.012 10.258 6.923 1.00 21.14 H new ATOM 0 HB3 LEU A 105 -11.944 11.468 7.606 1.00 21.14 H new ATOM 0 HG LEU A 105 -14.769 11.137 8.603 1.00 2.23 H new ATOM 0 HD11 LEU A 105 -13.856 9.652 10.370 1.00 2.34 H new ATOM 0 HD12 LEU A 105 -13.676 8.937 8.751 1.00 2.34 H new ATOM 0 HD13 LEU A 105 -12.273 9.677 9.558 1.00 2.34 H new ATOM 0 HD21 LEU A 105 -13.823 12.070 10.678 1.00 21.33 H new ATOM 0 HD22 LEU A 105 -12.230 12.182 9.893 1.00 21.33 H new ATOM 0 HD23 LEU A 105 -13.589 13.160 9.291 1.00 21.33 H new ATOM 1741 N GLU A 106 -14.080 14.629 6.724 1.00 43.40 N ATOM 1742 CA GLU A 106 -13.812 16.023 7.056 1.00 50.34 C ATOM 1743 C GLU A 106 -14.300 16.338 8.464 1.00 21.42 C ATOM 1744 O GLU A 106 -15.165 17.189 8.672 1.00 14.51 O ATOM 1745 CB GLU A 106 -14.469 16.958 6.040 1.00 34.15 C ATOM 1746 CG GLU A 106 -14.011 16.712 4.614 1.00 64.11 C ATOM 1747 CD GLU A 106 -14.658 17.662 3.633 1.00 74.51 C ATOM 1748 OE1 GLU A 106 -15.876 17.534 3.397 1.00 32.14 O ATOM 1749 OE2 GLU A 106 -13.961 18.549 3.099 1.00 62.23 O ATOM 0 H GLU A 106 -15.019 14.454 6.366 1.00 43.40 H new ATOM 0 HA GLU A 106 -12.734 16.182 7.019 1.00 50.34 H new ATOM 0 HB2 GLU A 106 -15.551 16.838 6.093 1.00 34.15 H new ATOM 0 HB3 GLU A 106 -14.249 17.990 6.312 1.00 34.15 H new ATOM 0 HG2 GLU A 106 -12.928 16.818 4.559 1.00 64.11 H new ATOM 0 HG3 GLU A 106 -14.245 15.686 4.331 1.00 64.11 H new ATOM 1756 N HIS A 107 -13.755 15.613 9.423 1.00 75.32 N ATOM 1757 CA HIS A 107 -14.065 15.822 10.828 1.00 62.21 C ATOM 1758 C HIS A 107 -12.754 15.867 11.602 1.00 41.21 C ATOM 1759 O HIS A 107 -12.699 15.606 12.801 1.00 22.11 O ATOM 1760 CB HIS A 107 -14.981 14.695 11.334 1.00 34.02 C ATOM 1761 CG HIS A 107 -15.533 14.900 12.715 1.00 73.32 C ATOM 1762 ND1 HIS A 107 -15.442 13.948 13.706 1.00 62.23 N ATOM 1763 CD2 HIS A 107 -16.210 15.940 13.259 1.00 25.12 C ATOM 1764 CE1 HIS A 107 -16.037 14.392 14.797 1.00 31.12 C ATOM 1765 NE2 HIS A 107 -16.515 15.599 14.554 1.00 43.21 N ATOM 0 H HIS A 107 -13.085 14.863 9.252 1.00 75.32 H new ATOM 0 HA HIS A 107 -14.596 16.763 10.971 1.00 62.21 H new ATOM 0 HB2 HIS A 107 -15.813 14.584 10.639 1.00 34.02 H new ATOM 0 HB3 HIS A 107 -14.424 13.758 11.317 1.00 34.02 H new ATOM 0 HD2 HIS A 107 -16.463 16.867 12.765 1.00 25.12 H new ATOM 0 HE1 HIS A 107 -16.119 13.858 15.732 1.00 31.12 H new ATOM 0 HE2 HIS A 107 -17.026 16.181 15.218 1.00 43.21 H new ATOM 1774 N HIS A 108 -11.697 16.222 10.885 1.00 52.55 N ATOM 1775 CA HIS A 108 -10.358 16.270 11.450 1.00 62.44 C ATOM 1776 C HIS A 108 -9.952 17.708 11.732 1.00 75.11 C ATOM 1777 O HIS A 108 -9.639 18.467 10.813 1.00 71.30 O ATOM 1778 CB HIS A 108 -9.339 15.630 10.503 1.00 51.24 C ATOM 1779 CG HIS A 108 -9.474 14.145 10.369 1.00 64.11 C ATOM 1780 ND1 HIS A 108 -9.629 13.508 9.158 1.00 52.23 N ATOM 1781 CD2 HIS A 108 -9.447 13.165 11.303 1.00 3.52 C ATOM 1782 CE1 HIS A 108 -9.690 12.205 9.352 1.00 52.32 C ATOM 1783 NE2 HIS A 108 -9.581 11.969 10.646 1.00 71.33 N ATOM 0 H HIS A 108 -11.744 16.483 9.900 1.00 52.55 H new ATOM 0 HA HIS A 108 -10.371 15.708 12.384 1.00 62.44 H new ATOM 0 HB2 HIS A 108 -9.441 16.083 9.517 1.00 51.24 H new ATOM 0 HB3 HIS A 108 -8.335 15.862 10.858 1.00 51.24 H new ATOM 0 HD1 HIS A 108 -9.688 13.972 8.252 1.00 52.23 H new ATOM 0 HD2 HIS A 108 -9.340 13.300 12.369 1.00 3.52 H new ATOM 0 HE1 HIS A 108 -9.809 11.457 8.582 1.00 52.32 H new ATOM 1792 N HIS A 109 -9.976 18.084 12.996 1.00 1.10 N ATOM 1793 CA HIS A 109 -9.538 19.408 13.406 1.00 61.34 C ATOM 1794 C HIS A 109 -8.224 19.307 14.158 1.00 4.20 C ATOM 1795 O HIS A 109 -7.963 18.312 14.835 1.00 64.53 O ATOM 1796 CB HIS A 109 -10.592 20.093 14.277 1.00 52.45 C ATOM 1797 CG HIS A 109 -11.700 20.728 13.499 1.00 3.30 C ATOM 1798 ND1 HIS A 109 -11.786 22.088 13.296 1.00 63.43 N ATOM 1799 CD2 HIS A 109 -12.774 20.189 12.876 1.00 13.35 C ATOM 1800 CE1 HIS A 109 -12.862 22.358 12.583 1.00 54.12 C ATOM 1801 NE2 HIS A 109 -13.478 21.224 12.315 1.00 14.42 N ATOM 0 H HIS A 109 -10.295 17.490 13.761 1.00 1.10 H new ATOM 0 HA HIS A 109 -9.396 20.013 12.511 1.00 61.34 H new ATOM 0 HB2 HIS A 109 -11.016 19.359 14.962 1.00 52.45 H new ATOM 0 HB3 HIS A 109 -10.106 20.855 14.887 1.00 52.45 H new ATOM 0 HD2 HIS A 109 -13.029 19.141 12.829 1.00 13.35 H new ATOM 0 HE1 HIS A 109 -13.184 23.341 12.272 1.00 54.12 H new ATOM 0 HE2 HIS A 109 -14.340 21.131 11.777 1.00 14.42 H new ATOM 1810 N HIS A 110 -7.394 20.323 14.016 1.00 71.42 N ATOM 1811 CA HIS A 110 -6.106 20.361 14.693 1.00 30.15 C ATOM 1812 C HIS A 110 -5.926 21.703 15.380 1.00 2.10 C ATOM 1813 O HIS A 110 -6.587 22.679 15.028 1.00 0.44 O ATOM 1814 CB HIS A 110 -4.954 20.152 13.702 1.00 22.12 C ATOM 1815 CG HIS A 110 -4.988 18.844 12.970 1.00 24.24 C ATOM 1816 ND1 HIS A 110 -5.373 18.735 11.654 1.00 11.54 N ATOM 1817 CD2 HIS A 110 -4.655 17.593 13.367 1.00 13.45 C ATOM 1818 CE1 HIS A 110 -5.280 17.476 11.273 1.00 62.24 C ATOM 1819 NE2 HIS A 110 -4.845 16.758 12.291 1.00 10.32 N ATOM 0 H HIS A 110 -7.588 21.139 13.435 1.00 71.42 H new ATOM 0 HA HIS A 110 -6.089 19.556 15.428 1.00 30.15 H new ATOM 0 HB2 HIS A 110 -4.969 20.962 12.972 1.00 22.12 H new ATOM 0 HB3 HIS A 110 -4.010 20.226 14.242 1.00 22.12 H new ATOM 0 HD2 HIS A 110 -4.305 17.304 14.347 1.00 13.45 H new ATOM 0 HE1 HIS A 110 -5.520 17.096 10.291 1.00 62.24 H new ATOM 0 HE2 HIS A 110 -4.678 15.752 12.281 1.00 10.32 H new ATOM 1828 N HIS A 111 -5.035 21.751 16.360 1.00 72.15 N ATOM 1829 CA HIS A 111 -4.676 23.015 16.989 1.00 3.53 C ATOM 1830 C HIS A 111 -3.425 23.581 16.336 1.00 15.21 C ATOM 1831 O HIS A 111 -2.914 24.629 16.729 1.00 3.21 O ATOM 1832 CB HIS A 111 -4.477 22.850 18.497 1.00 13.54 C ATOM 1833 CG HIS A 111 -5.764 22.732 19.251 1.00 32.14 C ATOM 1834 ND1 HIS A 111 -6.260 23.735 20.052 1.00 42.34 N ATOM 1835 CD2 HIS A 111 -6.663 21.724 19.319 1.00 4.44 C ATOM 1836 CE1 HIS A 111 -7.406 23.350 20.579 1.00 3.32 C ATOM 1837 NE2 HIS A 111 -7.677 22.133 20.148 1.00 45.12 N ATOM 0 H HIS A 111 -4.550 20.936 16.735 1.00 72.15 H new ATOM 0 HA HIS A 111 -5.498 23.717 16.844 1.00 3.53 H new ATOM 0 HB2 HIS A 111 -3.872 21.963 18.682 1.00 13.54 H new ATOM 0 HB3 HIS A 111 -3.916 23.703 18.879 1.00 13.54 H new ATOM 0 HD2 HIS A 111 -6.595 20.772 18.814 1.00 4.44 H new ATOM 0 HE1 HIS A 111 -8.019 23.933 21.250 1.00 3.32 H new ATOM 0 HE2 HIS A 111 -8.503 21.587 20.391 1.00 45.12 H new ATOM 1846 N HIS A 112 -2.942 22.868 15.333 1.00 43.12 N ATOM 1847 CA HIS A 112 -1.841 23.331 14.513 1.00 75.42 C ATOM 1848 C HIS A 112 -2.075 22.891 13.076 1.00 75.02 C ATOM 1849 O HIS A 112 -1.685 21.756 12.728 1.00 38.90 O ATOM 1850 CB HIS A 112 -0.502 22.782 15.020 1.00 13.10 C ATOM 1851 CG HIS A 112 0.682 23.320 14.277 1.00 4.10 C ATOM 1852 ND1 HIS A 112 1.073 22.852 13.040 1.00 31.52 N ATOM 1853 CD2 HIS A 112 1.558 24.303 14.595 1.00 13.41 C ATOM 1854 CE1 HIS A 112 2.137 23.517 12.636 1.00 63.31 C ATOM 1855 NE2 HIS A 112 2.449 24.404 13.558 1.00 32.32 N ATOM 1856 OXT HIS A 112 -2.674 23.665 12.309 1.00 38.90 O ATOM 0 H HIS A 112 -3.303 21.952 15.066 1.00 43.12 H new ATOM 0 HA HIS A 112 -1.795 24.419 14.567 1.00 75.42 H new ATOM 0 HB2 HIS A 112 -0.397 23.022 16.078 1.00 13.10 H new ATOM 0 HB3 HIS A 112 -0.509 21.695 14.939 1.00 13.10 H new ATOM 0 HD1 HIS A 112 0.611 22.107 12.519 1.00 31.52 H new ATOM 0 HD2 HIS A 112 1.555 24.897 15.497 1.00 13.41 H new ATOM 0 HE1 HIS A 112 2.664 23.361 11.706 1.00 63.31 H new TER 1865 HIS A 112