USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=37 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 36 CYS SG : rot -102:sc= 0.195 USER MOD Set 1.2: A 64 MET CE :methyl -164:sc= -0.803! (180deg=-1.91!) USER MOD Set 1.3: A 78 ASN : amide:sc= 0.249 K(o=-0.36,f=-0.9) USER MOD Set 2.1: A 37 MET CE :methyl -100:sc= -0.96 (180deg=-2.53!) USER MOD Set 2.2: A 81 THR OG1 : rot -76:sc= 1.17 USER MOD Set 3.1: A 3 ASN : amide:sc= 1.12 K(o=2.4,f=-0.29) USER MOD Set 3.2: A 5 SER OG : rot -12:sc= 0.0652 USER MOD Set 3.3: A 16 SER OG : rot -99:sc= 1.23 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0787 K(o=-0.079,f=-1.6) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc=-0.00792 USER MOD Single : A 11 HIS : no HE2:sc= -0.514 K(o=-0.51,f=-6.2!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -120:sc= -0.796 (180deg=-1.01) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -87:sc= 0.296 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 33 HIS : no HE2:sc= 0.182 K(o=0.18,f=-2.4!) 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+ -175:sc= 0 (180deg=-0.0303) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= 0.53 USER MOD Single : A 48 GLN : amide:sc= 0.449 K(o=0.45,f=-0.083) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.00069) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.181) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot -7:sc= 0.0681 USER MOD Single : A 70 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.2!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0765 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.108 F(o=-1.2,f=-0.11) USER MOD Single : A 80 SER OG : rot 52:sc= 0.962 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 130:sc= -0.624 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0237) 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 -140:sc= -0.0351 (180deg=-0.425) USER MOD Single : A 97 ASN :FLIP amide:sc= -0.0658 F(o=-1.2!,f=-0.066) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.0636 X(o=-0.064,f=-0.0053) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HE2:sc= 1.01 K(o=1,f=-3.8!) USER MOD Single : A 112 HIS : no HE2:sc= 0.383 K(o=0.38,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.127 -12.776 8.974 1.00 60.22 N ATOM 2 CA MET A 1 14.578 -12.825 10.385 1.00 20.32 C ATOM 3 C MET A 1 15.095 -11.458 10.815 1.00 63.11 C ATOM 4 O MET A 1 14.687 -10.923 11.845 1.00 11.41 O ATOM 5 CB MET A 1 15.672 -13.886 10.558 1.00 40.33 C ATOM 6 CG MET A 1 16.136 -14.061 11.995 1.00 50.44 C ATOM 7 SD MET A 1 17.379 -15.360 12.170 1.00 70.30 S ATOM 8 CE MET A 1 17.631 -15.335 13.944 1.00 21.13 C ATOM 0 H1 MET A 1 13.776 -13.713 8.689 1.00 60.22 H new ATOM 0 H2 MET A 1 13.364 -12.076 8.878 1.00 60.22 H new ATOM 0 H3 MET A 1 14.924 -12.505 8.364 1.00 60.22 H new ATOM 0 HA MET A 1 13.731 -13.095 11.015 1.00 20.32 H new ATOM 0 HB2 MET A 1 15.300 -14.841 10.187 1.00 40.33 H new ATOM 0 HB3 MET A 1 16.528 -13.616 9.940 1.00 40.33 H new ATOM 0 HG2 MET A 1 16.547 -13.119 12.358 1.00 50.44 H new ATOM 0 HG3 MET A 1 15.278 -14.297 12.624 1.00 50.44 H new ATOM 0 HE1 MET A 1 18.374 -16.084 14.216 1.00 21.13 H new ATOM 0 HE2 MET A 1 17.981 -14.349 14.248 1.00 21.13 H new ATOM 0 HE3 MET A 1 16.691 -15.557 14.448 1.00 21.13 H new ATOM 20 N ASN A 2 15.990 -10.896 10.018 1.00 53.52 N ATOM 21 CA ASN A 2 16.486 -9.551 10.253 1.00 54.44 C ATOM 22 C ASN A 2 15.641 -8.565 9.458 1.00 64.41 C ATOM 23 O ASN A 2 15.203 -8.875 8.349 1.00 71.00 O ATOM 24 CB ASN A 2 17.962 -9.451 9.849 1.00 35.13 C ATOM 25 CG ASN A 2 18.538 -8.057 10.040 1.00 3.21 C ATOM 26 OD1 ASN A 2 18.111 -7.305 10.916 1.00 52.35 O ATOM 27 ND2 ASN A 2 19.525 -7.711 9.230 1.00 32.11 N ATOM 0 H ASN A 2 16.389 -11.354 9.199 1.00 53.52 H new ATOM 0 HA ASN A 2 16.412 -9.312 11.314 1.00 54.44 H new ATOM 0 HB2 ASN A 2 18.543 -10.162 10.437 1.00 35.13 H new ATOM 0 HB3 ASN A 2 18.067 -9.741 8.804 1.00 35.13 H new ATOM 0 HD21 ASN A 2 19.960 -6.793 9.319 1.00 32.11 H new ATOM 0 HD22 ASN A 2 19.851 -8.362 8.516 1.00 32.11 H new ATOM 34 N ASN A 3 15.390 -7.398 10.028 1.00 53.53 N ATOM 35 CA ASN A 3 14.556 -6.397 9.378 1.00 62.22 C ATOM 36 C ASN A 3 15.195 -5.015 9.470 1.00 61.10 C ATOM 37 O ASN A 3 14.955 -4.269 10.423 1.00 54.55 O ATOM 38 CB ASN A 3 13.151 -6.381 9.994 1.00 43.52 C ATOM 39 CG ASN A 3 12.252 -5.318 9.385 1.00 4.33 C ATOM 40 OD1 ASN A 3 12.403 -4.943 8.221 1.00 60.40 O ATOM 41 ND2 ASN A 3 11.302 -4.827 10.167 1.00 4.32 N ATOM 0 H ASN A 3 15.751 -7.119 10.940 1.00 53.53 H new ATOM 0 HA ASN A 3 14.468 -6.663 8.325 1.00 62.22 H new ATOM 0 HB2 ASN A 3 12.690 -7.360 9.861 1.00 43.52 H new ATOM 0 HB3 ASN A 3 13.232 -6.210 11.067 1.00 43.52 H new ATOM 0 HD21 ASN A 3 10.665 -4.114 9.810 1.00 4.32 H new ATOM 0 HD22 ASN A 3 11.207 -5.162 11.126 1.00 4.32 H new ATOM 48 N PRO A 4 16.069 -4.681 8.512 1.00 63.05 N ATOM 49 CA PRO A 4 16.687 -3.365 8.439 1.00 22.31 C ATOM 50 C PRO A 4 15.768 -2.352 7.759 1.00 21.54 C ATOM 51 O PRO A 4 15.898 -2.081 6.563 1.00 11.35 O ATOM 52 CB PRO A 4 17.942 -3.617 7.609 1.00 64.21 C ATOM 53 CG PRO A 4 17.597 -4.767 6.721 1.00 43.32 C ATOM 54 CD PRO A 4 16.528 -5.568 7.427 1.00 71.42 C ATOM 0 HA PRO A 4 16.900 -2.941 9.420 1.00 22.31 H new ATOM 0 HB2 PRO A 4 18.213 -2.736 7.026 1.00 64.21 H new ATOM 0 HB3 PRO A 4 18.795 -3.853 8.246 1.00 64.21 H new ATOM 0 HG2 PRO A 4 17.238 -4.413 5.754 1.00 43.32 H new ATOM 0 HG3 PRO A 4 18.476 -5.383 6.529 1.00 43.32 H new ATOM 0 HD2 PRO A 4 15.712 -5.826 6.752 1.00 71.42 H new ATOM 0 HD3 PRO A 4 16.925 -6.504 7.819 1.00 71.42 H new ATOM 62 N SER A 5 14.827 -1.813 8.523 1.00 14.03 N ATOM 63 CA SER A 5 13.832 -0.895 7.989 1.00 35.21 C ATOM 64 C SER A 5 14.433 0.487 7.710 1.00 60.31 C ATOM 65 O SER A 5 14.143 1.460 8.408 1.00 34.40 O ATOM 66 CB SER A 5 12.656 -0.784 8.959 1.00 54.41 C ATOM 67 OG SER A 5 12.094 -2.060 9.223 1.00 65.25 O ATOM 0 H SER A 5 14.733 -1.998 9.522 1.00 14.03 H new ATOM 0 HA SER A 5 13.477 -1.293 7.039 1.00 35.21 H new ATOM 0 HB2 SER A 5 12.991 -0.330 9.892 1.00 54.41 H new ATOM 0 HB3 SER A 5 11.894 -0.127 8.539 1.00 54.41 H new ATOM 0 HG SER A 5 12.452 -2.713 8.586 1.00 65.25 H new ATOM 73 N ASP A 6 15.288 0.549 6.696 1.00 0.43 N ATOM 74 CA ASP A 6 15.902 1.803 6.267 1.00 74.10 C ATOM 75 C ASP A 6 15.954 1.884 4.752 1.00 43.11 C ATOM 76 O ASP A 6 16.665 2.714 4.184 1.00 42.24 O ATOM 77 CB ASP A 6 17.317 1.944 6.826 1.00 11.05 C ATOM 78 CG ASP A 6 17.345 2.440 8.257 1.00 3.25 C ATOM 79 OD1 ASP A 6 17.128 3.657 8.472 1.00 43.12 O ATOM 80 OD2 ASP A 6 17.585 1.625 9.172 1.00 72.41 O ATOM 0 H ASP A 6 15.575 -0.263 6.150 1.00 0.43 H new ATOM 0 HA ASP A 6 15.286 2.616 6.653 1.00 74.10 H new ATOM 0 HB2 ASP A 6 17.820 0.978 6.773 1.00 11.05 H new ATOM 0 HB3 ASP A 6 17.882 2.633 6.198 1.00 11.05 H new ATOM 85 N PHE A 7 15.191 1.020 4.103 1.00 4.21 N ATOM 86 CA PHE A 7 15.152 0.952 2.659 1.00 71.22 C ATOM 87 C PHE A 7 14.578 2.227 2.066 1.00 42.42 C ATOM 88 O PHE A 7 13.641 2.813 2.605 1.00 50.11 O ATOM 89 CB PHE A 7 14.324 -0.248 2.210 1.00 61.31 C ATOM 90 CG PHE A 7 14.804 -1.564 2.747 1.00 23.31 C ATOM 91 CD1 PHE A 7 15.988 -2.118 2.288 1.00 12.13 C ATOM 92 CD2 PHE A 7 14.075 -2.249 3.703 1.00 25.34 C ATOM 93 CE1 PHE A 7 16.436 -3.330 2.773 1.00 41.31 C ATOM 94 CE2 PHE A 7 14.517 -3.463 4.192 1.00 23.42 C ATOM 95 CZ PHE A 7 15.701 -4.003 3.727 1.00 12.23 C ATOM 0 H PHE A 7 14.582 0.347 4.567 1.00 4.21 H new ATOM 0 HA PHE A 7 16.175 0.838 2.300 1.00 71.22 H new ATOM 0 HB2 PHE A 7 13.290 -0.098 2.520 1.00 61.31 H new ATOM 0 HB3 PHE A 7 14.327 -0.290 1.121 1.00 61.31 H new ATOM 0 HD1 PHE A 7 16.567 -1.595 1.542 1.00 12.13 H new ATOM 0 HD2 PHE A 7 13.150 -1.830 4.071 1.00 25.34 H new ATOM 0 HE1 PHE A 7 17.361 -3.751 2.406 1.00 41.31 H new ATOM 0 HE2 PHE A 7 13.938 -3.989 4.937 1.00 23.42 H new ATOM 0 HZ PHE A 7 16.050 -4.950 4.110 1.00 12.23 H new ATOM 105 N LYS A 8 15.163 2.647 0.960 1.00 31.43 N ATOM 106 CA LYS A 8 14.747 3.860 0.274 1.00 21.14 C ATOM 107 C LYS A 8 13.466 3.649 -0.519 1.00 4.23 C ATOM 108 O LYS A 8 12.703 4.585 -0.745 1.00 23.04 O ATOM 109 CB LYS A 8 15.846 4.326 -0.674 1.00 2.14 C ATOM 110 CG LYS A 8 16.171 3.323 -1.769 1.00 34.35 C ATOM 111 CD LYS A 8 16.970 3.956 -2.894 1.00 4.15 C ATOM 112 CE LYS A 8 17.350 2.929 -3.949 1.00 1.32 C ATOM 113 NZ LYS A 8 17.955 3.565 -5.147 1.00 35.12 N ATOM 0 H LYS A 8 15.938 2.160 0.511 1.00 31.43 H new ATOM 0 HA LYS A 8 14.560 4.617 1.036 1.00 21.14 H new ATOM 0 HB2 LYS A 8 15.543 5.267 -1.133 1.00 2.14 H new ATOM 0 HB3 LYS A 8 16.749 4.528 -0.098 1.00 2.14 H new ATOM 0 HG2 LYS A 8 16.735 2.492 -1.345 1.00 34.35 H new ATOM 0 HG3 LYS A 8 15.245 2.909 -2.169 1.00 34.35 H new ATOM 0 HD2 LYS A 8 16.386 4.753 -3.354 1.00 4.15 H new ATOM 0 HD3 LYS A 8 17.872 4.415 -2.489 1.00 4.15 H new ATOM 0 HE2 LYS A 8 18.054 2.214 -3.523 1.00 1.32 H new ATOM 0 HE3 LYS A 8 16.464 2.367 -4.244 1.00 1.32 H new ATOM 0 HZ1 LYS A 8 18.200 2.832 -5.843 1.00 35.12 H new ATOM 0 HZ2 LYS A 8 17.274 4.229 -5.569 1.00 35.12 H new ATOM 0 HZ3 LYS A 8 18.815 4.080 -4.870 1.00 35.12 H new ATOM 127 N SER A 9 13.240 2.423 -0.952 1.00 51.42 N ATOM 128 CA SER A 9 12.117 2.137 -1.823 1.00 31.02 C ATOM 129 C SER A 9 10.958 1.532 -1.051 1.00 60.31 C ATOM 130 O SER A 9 11.153 0.695 -0.167 1.00 74.44 O ATOM 131 CB SER A 9 12.547 1.203 -2.948 1.00 61.02 C ATOM 132 OG SER A 9 13.579 1.782 -3.723 1.00 15.04 O ATOM 0 H SER A 9 13.815 1.614 -0.717 1.00 51.42 H new ATOM 0 HA SER A 9 11.777 3.079 -2.253 1.00 31.02 H new ATOM 0 HB2 SER A 9 12.890 0.257 -2.529 1.00 61.02 H new ATOM 0 HB3 SER A 9 11.692 0.978 -3.585 1.00 61.02 H new ATOM 0 HG SER A 9 13.839 1.163 -4.437 1.00 15.04 H new ATOM 138 N PHE A 10 9.752 1.954 -1.409 1.00 52.32 N ATOM 139 CA PHE A 10 8.538 1.474 -0.769 1.00 52.41 C ATOM 140 C PHE A 10 8.401 -0.041 -0.896 1.00 43.41 C ATOM 141 O PHE A 10 8.072 -0.719 0.071 1.00 54.43 O ATOM 142 CB PHE A 10 7.308 2.181 -1.361 1.00 23.34 C ATOM 143 CG PHE A 10 7.184 2.085 -2.863 1.00 13.11 C ATOM 144 CD1 PHE A 10 7.878 2.958 -3.689 1.00 63.01 C ATOM 145 CD2 PHE A 10 6.368 1.126 -3.448 1.00 64.13 C ATOM 146 CE1 PHE A 10 7.763 2.873 -5.064 1.00 14.42 C ATOM 147 CE2 PHE A 10 6.251 1.039 -4.822 1.00 40.10 C ATOM 148 CZ PHE A 10 6.949 1.913 -5.631 1.00 64.44 C ATOM 0 H PHE A 10 9.590 2.637 -2.149 1.00 52.32 H new ATOM 0 HA PHE A 10 8.602 1.711 0.293 1.00 52.41 H new ATOM 0 HB2 PHE A 10 6.411 1.758 -0.909 1.00 23.34 H new ATOM 0 HB3 PHE A 10 7.341 3.234 -1.080 1.00 23.34 H new ATOM 0 HD1 PHE A 10 8.515 3.713 -3.252 1.00 63.01 H new ATOM 0 HD2 PHE A 10 5.818 0.440 -2.821 1.00 64.13 H new ATOM 0 HE1 PHE A 10 8.310 3.558 -5.695 1.00 14.42 H new ATOM 0 HE2 PHE A 10 5.613 0.287 -5.263 1.00 40.10 H new ATOM 0 HZ PHE A 10 6.858 1.846 -6.705 1.00 64.44 H new ATOM 158 N HIS A 11 8.689 -0.573 -2.084 1.00 1.35 N ATOM 159 CA HIS A 11 8.551 -2.011 -2.325 1.00 22.15 C ATOM 160 C HIS A 11 9.540 -2.796 -1.465 1.00 32.13 C ATOM 161 O HIS A 11 9.300 -3.946 -1.121 1.00 45.52 O ATOM 162 CB HIS A 11 8.740 -2.351 -3.818 1.00 73.12 C ATOM 163 CG HIS A 11 10.170 -2.463 -4.268 1.00 73.14 C ATOM 164 ND1 HIS A 11 10.816 -3.668 -4.411 1.00 74.32 N ATOM 165 CD2 HIS A 11 11.074 -1.515 -4.610 1.00 40.02 C ATOM 166 CE1 HIS A 11 12.055 -3.460 -4.816 1.00 3.03 C ATOM 167 NE2 HIS A 11 12.240 -2.158 -4.948 1.00 53.24 N ATOM 0 H HIS A 11 9.016 -0.037 -2.888 1.00 1.35 H new ATOM 0 HA HIS A 11 7.539 -2.301 -2.044 1.00 22.15 H new ATOM 0 HB2 HIS A 11 8.234 -3.294 -4.027 1.00 73.12 H new ATOM 0 HB3 HIS A 11 8.246 -1.585 -4.415 1.00 73.12 H new ATOM 0 HD1 HIS A 11 10.401 -4.583 -4.232 1.00 74.32 H new ATOM 0 HD2 HIS A 11 10.909 -0.448 -4.616 1.00 40.02 H new ATOM 0 HE1 HIS A 11 12.793 -4.225 -5.007 1.00 3.03 H new ATOM 176 N ASP A 12 10.643 -2.146 -1.112 1.00 3.44 N ATOM 177 CA ASP A 12 11.682 -2.767 -0.300 1.00 71.10 C ATOM 178 C ASP A 12 11.279 -2.770 1.166 1.00 65.11 C ATOM 179 O ASP A 12 11.420 -3.779 1.859 1.00 62.53 O ATOM 180 CB ASP A 12 13.012 -2.025 -0.488 1.00 73.35 C ATOM 181 CG ASP A 12 13.792 -2.512 -1.693 1.00 11.34 C ATOM 182 OD1 ASP A 12 14.370 -3.619 -1.630 1.00 32.34 O ATOM 183 OD2 ASP A 12 13.832 -1.787 -2.707 1.00 31.12 O ATOM 0 H ASP A 12 10.841 -1.181 -1.378 1.00 3.44 H new ATOM 0 HA ASP A 12 11.809 -3.800 -0.624 1.00 71.10 H new ATOM 0 HB2 ASP A 12 12.815 -0.958 -0.595 1.00 73.35 H new ATOM 0 HB3 ASP A 12 13.621 -2.148 0.407 1.00 73.35 H new ATOM 188 N PHE A 13 10.760 -1.638 1.624 1.00 34.12 N ATOM 189 CA PHE A 13 10.309 -1.500 3.002 1.00 63.23 C ATOM 190 C PHE A 13 9.151 -2.455 3.284 1.00 34.41 C ATOM 191 O PHE A 13 9.149 -3.170 4.290 1.00 44.14 O ATOM 192 CB PHE A 13 9.880 -0.052 3.266 1.00 34.33 C ATOM 193 CG PHE A 13 9.617 0.259 4.713 1.00 63.34 C ATOM 194 CD1 PHE A 13 10.646 0.690 5.535 1.00 44.21 C ATOM 195 CD2 PHE A 13 8.346 0.129 5.248 1.00 62.42 C ATOM 196 CE1 PHE A 13 10.411 0.982 6.864 1.00 2.03 C ATOM 197 CE2 PHE A 13 8.106 0.420 6.577 1.00 31.03 C ATOM 198 CZ PHE A 13 9.141 0.848 7.386 1.00 14.24 C ATOM 0 H PHE A 13 10.641 -0.798 1.058 1.00 34.12 H new ATOM 0 HA PHE A 13 11.133 -1.754 3.669 1.00 63.23 H new ATOM 0 HB2 PHE A 13 10.657 0.618 2.897 1.00 34.33 H new ATOM 0 HB3 PHE A 13 8.978 0.158 2.691 1.00 34.33 H new ATOM 0 HD1 PHE A 13 11.642 0.799 5.132 1.00 44.21 H new ATOM 0 HD2 PHE A 13 7.533 -0.204 4.619 1.00 62.42 H new ATOM 0 HE1 PHE A 13 11.222 1.315 7.495 1.00 2.03 H new ATOM 0 HE2 PHE A 13 7.111 0.313 6.983 1.00 31.03 H new ATOM 0 HZ PHE A 13 8.956 1.077 8.425 1.00 14.24 H new ATOM 208 N VAL A 14 8.180 -2.472 2.376 1.00 54.14 N ATOM 209 CA VAL A 14 7.003 -3.317 2.523 1.00 3.44 C ATOM 210 C VAL A 14 7.386 -4.793 2.521 1.00 71.34 C ATOM 211 O VAL A 14 6.908 -5.561 3.355 1.00 5.34 O ATOM 212 CB VAL A 14 5.966 -3.061 1.403 1.00 3.32 C ATOM 213 CG1 VAL A 14 4.783 -4.008 1.530 1.00 50.32 C ATOM 214 CG2 VAL A 14 5.485 -1.622 1.436 1.00 24.14 C ATOM 0 H VAL A 14 8.187 -1.907 1.527 1.00 54.14 H new ATOM 0 HA VAL A 14 6.551 -3.059 3.481 1.00 3.44 H new ATOM 0 HB VAL A 14 6.456 -3.246 0.447 1.00 3.32 H new ATOM 0 HG11 VAL A 14 4.069 -3.807 0.731 1.00 50.32 H new ATOM 0 HG12 VAL A 14 5.132 -5.038 1.455 1.00 50.32 H new ATOM 0 HG13 VAL A 14 4.299 -3.858 2.495 1.00 50.32 H new ATOM 0 HG21 VAL A 14 4.757 -1.463 0.641 1.00 24.14 H new ATOM 0 HG22 VAL A 14 5.020 -1.416 2.400 1.00 24.14 H new ATOM 0 HG23 VAL A 14 6.332 -0.952 1.291 1.00 24.14 H new ATOM 224 N ALA A 15 8.262 -5.180 1.599 1.00 11.40 N ATOM 225 CA ALA A 15 8.660 -6.576 1.457 1.00 31.23 C ATOM 226 C ALA A 15 9.299 -7.108 2.736 1.00 64.52 C ATOM 227 O ALA A 15 8.972 -8.203 3.190 1.00 41.41 O ATOM 228 CB ALA A 15 9.612 -6.738 0.283 1.00 32.03 C ATOM 0 H ALA A 15 8.710 -4.545 0.938 1.00 11.40 H new ATOM 0 HA ALA A 15 7.760 -7.161 1.267 1.00 31.23 H new ATOM 0 HB1 ALA A 15 9.900 -7.785 0.190 1.00 32.03 H new ATOM 0 HB2 ALA A 15 9.118 -6.415 -0.633 1.00 32.03 H new ATOM 0 HB3 ALA A 15 10.502 -6.130 0.449 1.00 32.03 H new ATOM 234 N SER A 16 10.193 -6.320 3.317 1.00 74.43 N ATOM 235 CA SER A 16 10.911 -6.728 4.518 1.00 43.02 C ATOM 236 C SER A 16 9.965 -6.815 5.715 1.00 22.31 C ATOM 237 O SER A 16 9.991 -7.789 6.469 1.00 40.44 O ATOM 238 CB SER A 16 12.055 -5.746 4.805 1.00 53.11 C ATOM 239 OG SER A 16 12.879 -6.201 5.867 1.00 43.12 O ATOM 0 H SER A 16 10.439 -5.391 2.975 1.00 74.43 H new ATOM 0 HA SER A 16 11.332 -7.719 4.350 1.00 43.02 H new ATOM 0 HB2 SER A 16 12.658 -5.616 3.906 1.00 53.11 H new ATOM 0 HB3 SER A 16 11.642 -4.769 5.057 1.00 53.11 H new ATOM 0 HG SER A 16 12.627 -5.743 6.696 1.00 43.12 H new ATOM 245 N TYR A 17 9.110 -5.811 5.869 1.00 23.14 N ATOM 246 CA TYR A 17 8.192 -5.756 7.002 1.00 52.15 C ATOM 247 C TYR A 17 7.115 -6.837 6.896 1.00 73.12 C ATOM 248 O TYR A 17 6.748 -7.463 7.893 1.00 40.50 O ATOM 249 CB TYR A 17 7.542 -4.371 7.091 1.00 23.31 C ATOM 250 CG TYR A 17 6.525 -4.241 8.205 1.00 35.04 C ATOM 251 CD1 TYR A 17 6.925 -4.144 9.532 1.00 2.42 C ATOM 252 CD2 TYR A 17 5.164 -4.210 7.926 1.00 60.34 C ATOM 253 CE1 TYR A 17 5.997 -4.020 10.550 1.00 73.24 C ATOM 254 CE2 TYR A 17 4.230 -4.086 8.937 1.00 51.12 C ATOM 255 CZ TYR A 17 4.651 -3.991 10.247 1.00 52.51 C ATOM 256 OH TYR A 17 3.723 -3.863 11.256 1.00 44.44 O ATOM 0 H TYR A 17 9.033 -5.024 5.225 1.00 23.14 H new ATOM 0 HA TYR A 17 8.767 -5.940 7.910 1.00 52.15 H new ATOM 0 HB2 TYR A 17 8.322 -3.623 7.235 1.00 23.31 H new ATOM 0 HB3 TYR A 17 7.057 -4.147 6.141 1.00 23.31 H new ATOM 0 HD1 TYR A 17 7.978 -4.166 9.772 1.00 2.42 H new ATOM 0 HD2 TYR A 17 4.830 -4.284 6.901 1.00 60.34 H new ATOM 0 HE1 TYR A 17 6.324 -3.946 11.577 1.00 73.24 H new ATOM 0 HE2 TYR A 17 3.176 -4.064 8.703 1.00 51.12 H new ATOM 0 HH TYR A 17 2.821 -3.858 10.872 1.00 44.44 H new ATOM 266 N MET A 18 6.626 -7.066 5.682 1.00 13.31 N ATOM 267 CA MET A 18 5.550 -8.023 5.451 1.00 44.54 C ATOM 268 C MET A 18 5.992 -9.450 5.781 1.00 23.45 C ATOM 269 O MET A 18 5.173 -10.288 6.169 1.00 32.15 O ATOM 270 CB MET A 18 5.052 -7.923 4.010 1.00 34.34 C ATOM 271 CG MET A 18 3.783 -8.717 3.751 1.00 41.23 C ATOM 272 SD MET A 18 2.928 -8.194 2.252 1.00 24.11 S ATOM 273 CE MET A 18 2.447 -6.530 2.709 1.00 50.44 C ATOM 0 H MET A 18 6.960 -6.599 4.839 1.00 13.31 H new ATOM 0 HA MET A 18 4.726 -7.775 6.120 1.00 44.54 H new ATOM 0 HB2 MET A 18 4.872 -6.876 3.768 1.00 34.34 H new ATOM 0 HB3 MET A 18 5.835 -8.275 3.338 1.00 34.34 H new ATOM 0 HG2 MET A 18 4.031 -9.775 3.672 1.00 41.23 H new ATOM 0 HG3 MET A 18 3.112 -8.610 4.603 1.00 41.23 H new ATOM 0 HE1 MET A 18 1.361 -6.442 2.671 1.00 50.44 H new ATOM 0 HE2 MET A 18 2.793 -6.316 3.720 1.00 50.44 H new ATOM 0 HE3 MET A 18 2.893 -5.818 2.014 1.00 50.44 H new ATOM 283 N LYS A 19 7.286 -9.718 5.630 1.00 2.04 N ATOM 284 CA LYS A 19 7.858 -11.015 5.995 1.00 34.13 C ATOM 285 C LYS A 19 7.530 -11.371 7.443 1.00 14.22 C ATOM 286 O LYS A 19 7.313 -12.536 7.777 1.00 61.20 O ATOM 287 CB LYS A 19 9.376 -10.997 5.813 1.00 12.24 C ATOM 288 CG LYS A 19 9.819 -10.901 4.367 1.00 71.45 C ATOM 289 CD LYS A 19 11.312 -10.637 4.264 1.00 45.22 C ATOM 290 CE LYS A 19 11.780 -10.686 2.823 1.00 61.32 C ATOM 291 NZ LYS A 19 13.208 -10.301 2.685 1.00 64.44 N ATOM 0 H LYS A 19 7.963 -9.053 5.256 1.00 2.04 H new ATOM 0 HA LYS A 19 7.420 -11.767 5.339 1.00 34.13 H new ATOM 0 HB2 LYS A 19 9.789 -10.153 6.366 1.00 12.24 H new ATOM 0 HB3 LYS A 19 9.796 -11.902 6.252 1.00 12.24 H new ATOM 0 HG2 LYS A 19 9.574 -11.827 3.847 1.00 71.45 H new ATOM 0 HG3 LYS A 19 9.271 -10.102 3.869 1.00 71.45 H new ATOM 0 HD2 LYS A 19 11.541 -9.660 4.690 1.00 45.22 H new ATOM 0 HD3 LYS A 19 11.856 -11.377 4.851 1.00 45.22 H new ATOM 0 HE2 LYS A 19 11.637 -11.693 2.430 1.00 61.32 H new ATOM 0 HE3 LYS A 19 11.165 -10.018 2.220 1.00 61.32 H new ATOM 0 HZ1 LYS A 19 13.485 -10.349 1.684 1.00 64.44 H new ATOM 0 HZ2 LYS A 19 13.341 -9.331 3.035 1.00 64.44 H new ATOM 0 HZ3 LYS A 19 13.799 -10.954 3.239 1.00 64.44 H new ATOM 305 N THR A 20 7.504 -10.361 8.299 1.00 63.43 N ATOM 306 CA THR A 20 7.180 -10.560 9.700 1.00 52.51 C ATOM 307 C THR A 20 5.695 -10.292 9.957 1.00 42.41 C ATOM 308 O THR A 20 5.081 -10.913 10.824 1.00 35.22 O ATOM 309 CB THR A 20 8.049 -9.649 10.590 1.00 21.24 C ATOM 310 OG1 THR A 20 9.427 -9.794 10.214 1.00 72.02 O ATOM 311 CG2 THR A 20 7.887 -10.001 12.063 1.00 55.54 C ATOM 0 H THR A 20 7.704 -9.394 8.045 1.00 63.43 H new ATOM 0 HA THR A 20 7.391 -11.599 9.953 1.00 52.51 H new ATOM 0 HB THR A 20 7.725 -8.618 10.447 1.00 21.24 H new ATOM 0 HG1 THR A 20 9.982 -9.215 10.777 1.00 72.02 H new ATOM 0 HG21 THR A 20 8.512 -9.342 12.665 1.00 55.54 H new ATOM 0 HG22 THR A 20 6.844 -9.878 12.354 1.00 55.54 H new ATOM 0 HG23 THR A 20 8.189 -11.036 12.225 1.00 55.54 H new ATOM 319 N TYR A 21 5.115 -9.385 9.173 1.00 43.34 N ATOM 320 CA TYR A 21 3.701 -9.029 9.304 1.00 3.21 C ATOM 321 C TYR A 21 2.796 -10.229 9.021 1.00 60.13 C ATOM 322 O TYR A 21 1.712 -10.352 9.593 1.00 2.14 O ATOM 323 CB TYR A 21 3.364 -7.871 8.356 1.00 55.51 C ATOM 324 CG TYR A 21 1.921 -7.411 8.414 1.00 35.15 C ATOM 325 CD1 TYR A 21 1.459 -6.644 9.478 1.00 42.51 C ATOM 326 CD2 TYR A 21 1.025 -7.738 7.403 1.00 2.24 C ATOM 327 CE1 TYR A 21 0.143 -6.217 9.532 1.00 75.21 C ATOM 328 CE2 TYR A 21 -0.290 -7.316 7.449 1.00 60.11 C ATOM 329 CZ TYR A 21 -0.727 -6.557 8.515 1.00 32.02 C ATOM 330 OH TYR A 21 -2.038 -6.133 8.565 1.00 43.23 O ATOM 0 H TYR A 21 5.605 -8.880 8.435 1.00 43.34 H new ATOM 0 HA TYR A 21 3.523 -8.715 10.332 1.00 3.21 H new ATOM 0 HB2 TYR A 21 4.011 -7.026 8.591 1.00 55.51 H new ATOM 0 HB3 TYR A 21 3.594 -8.175 7.335 1.00 55.51 H new ATOM 0 HD1 TYR A 21 2.137 -6.377 10.275 1.00 42.51 H new ATOM 0 HD2 TYR A 21 1.362 -8.332 6.567 1.00 2.24 H new ATOM 0 HE1 TYR A 21 -0.201 -5.621 10.365 1.00 75.21 H new ATOM 0 HE2 TYR A 21 -0.972 -7.579 6.654 1.00 60.11 H new ATOM 0 HH TYR A 21 -2.517 -6.456 7.773 1.00 43.23 H new ATOM 340 N SER A 22 3.258 -11.127 8.162 1.00 23.14 N ATOM 341 CA SER A 22 2.476 -12.295 7.774 1.00 13.22 C ATOM 342 C SER A 22 2.303 -13.275 8.939 1.00 35.00 C ATOM 343 O SER A 22 1.503 -14.204 8.859 1.00 75.23 O ATOM 344 CB SER A 22 3.134 -12.989 6.584 1.00 72.23 C ATOM 345 OG SER A 22 4.523 -13.159 6.802 1.00 55.32 O ATOM 0 H SER A 22 4.175 -11.069 7.718 1.00 23.14 H new ATOM 0 HA SER A 22 1.482 -11.954 7.487 1.00 13.22 H new ATOM 0 HB2 SER A 22 2.666 -13.960 6.420 1.00 72.23 H new ATOM 0 HB3 SER A 22 2.973 -12.401 5.680 1.00 72.23 H new ATOM 0 HG SER A 22 5.001 -12.354 6.511 1.00 55.32 H new ATOM 351 N ARG A 23 3.043 -13.053 10.024 1.00 23.30 N ATOM 352 CA ARG A 23 2.905 -13.871 11.225 1.00 35.40 C ATOM 353 C ARG A 23 1.569 -13.601 11.906 1.00 2.11 C ATOM 354 O ARG A 23 1.092 -14.400 12.713 1.00 15.22 O ATOM 355 CB ARG A 23 4.048 -13.589 12.204 1.00 60.22 C ATOM 356 CG ARG A 23 5.393 -14.156 11.775 1.00 14.00 C ATOM 357 CD ARG A 23 5.366 -15.676 11.733 1.00 75.25 C ATOM 358 NE ARG A 23 4.925 -16.249 13.005 1.00 1.20 N ATOM 359 CZ ARG A 23 4.170 -17.345 13.106 1.00 73.23 C ATOM 360 NH1 ARG A 23 3.859 -18.041 12.022 1.00 54.11 N ATOM 361 NH2 ARG A 23 3.740 -17.762 14.287 1.00 45.04 N ATOM 0 H ARG A 23 3.743 -12.314 10.095 1.00 23.30 H new ATOM 0 HA ARG A 23 2.946 -14.918 10.926 1.00 35.40 H new ATOM 0 HB2 ARG A 23 4.145 -12.511 12.330 1.00 60.22 H new ATOM 0 HB3 ARG A 23 3.787 -14.002 13.178 1.00 60.22 H new ATOM 0 HG2 ARG A 23 5.656 -13.768 10.791 1.00 14.00 H new ATOM 0 HG3 ARG A 23 6.167 -13.823 12.466 1.00 14.00 H new ATOM 0 HD2 ARG A 23 4.699 -16.005 10.936 1.00 75.25 H new ATOM 0 HD3 ARG A 23 6.361 -16.050 11.492 1.00 75.25 H new ATOM 0 HE ARG A 23 5.212 -15.783 13.866 1.00 1.20 H new ATOM 0 HH11 ARG A 23 4.197 -17.739 11.108 1.00 54.11 H new ATOM 0 HH12 ARG A 23 3.282 -18.878 12.102 1.00 54.11 H new ATOM 0 HH21 ARG A 23 3.985 -17.244 15.131 1.00 45.04 H new ATOM 0 HH22 ARG A 23 3.164 -18.601 14.353 1.00 45.04 H new ATOM 375 N ARG A 24 0.968 -12.464 11.576 1.00 20.10 N ATOM 376 CA ARG A 24 -0.308 -12.074 12.154 1.00 43.00 C ATOM 377 C ARG A 24 -1.360 -11.897 11.067 1.00 63.21 C ATOM 378 O ARG A 24 -2.285 -11.094 11.202 1.00 44.34 O ATOM 379 CB ARG A 24 -0.152 -10.785 12.961 1.00 1.04 C ATOM 380 CG ARG A 24 0.634 -10.965 14.249 1.00 70.14 C ATOM 381 CD ARG A 24 0.664 -9.682 15.053 1.00 24.50 C ATOM 382 NE ARG A 24 1.222 -9.879 16.391 1.00 24.23 N ATOM 383 CZ ARG A 24 0.857 -9.170 17.458 1.00 45.45 C ATOM 384 NH1 ARG A 24 -0.078 -8.237 17.349 1.00 1.23 N ATOM 385 NH2 ARG A 24 1.426 -9.401 18.636 1.00 2.43 N ATOM 0 H ARG A 24 1.348 -11.794 10.907 1.00 20.10 H new ATOM 0 HA ARG A 24 -0.640 -12.868 12.824 1.00 43.00 H new ATOM 0 HB2 ARG A 24 0.345 -10.037 12.343 1.00 1.04 H new ATOM 0 HB3 ARG A 24 -1.141 -10.394 13.200 1.00 1.04 H new ATOM 0 HG2 ARG A 24 0.186 -11.760 14.844 1.00 70.14 H new ATOM 0 HG3 ARG A 24 1.652 -11.276 14.017 1.00 70.14 H new ATOM 0 HD2 ARG A 24 1.255 -8.936 14.521 1.00 24.50 H new ATOM 0 HD3 ARG A 24 -0.348 -9.285 15.138 1.00 24.50 H new ATOM 0 HE ARG A 24 1.932 -10.601 16.514 1.00 24.23 H new ATOM 0 HH11 ARG A 24 -0.520 -8.061 16.447 1.00 1.23 H new ATOM 0 HH12 ARG A 24 -0.356 -7.695 18.167 1.00 1.23 H new ATOM 0 HH21 ARG A 24 2.143 -10.121 18.724 1.00 2.43 H new ATOM 0 HH22 ARG A 24 1.146 -8.858 19.453 1.00 2.43 H new ATOM 399 N LEU A 25 -1.219 -12.663 9.992 1.00 21.42 N ATOM 400 CA LEU A 25 -2.170 -12.615 8.892 1.00 23.43 C ATOM 401 C LEU A 25 -2.396 -14.015 8.342 1.00 50.54 C ATOM 402 O LEU A 25 -1.470 -14.822 8.286 1.00 43.10 O ATOM 403 CB LEU A 25 -1.660 -11.701 7.773 1.00 42.24 C ATOM 404 CG LEU A 25 -2.727 -11.206 6.802 1.00 13.15 C ATOM 405 CD1 LEU A 25 -3.775 -10.386 7.538 1.00 73.31 C ATOM 406 CD2 LEU A 25 -2.089 -10.385 5.695 1.00 51.34 C ATOM 0 H LEU A 25 -0.454 -13.325 9.860 1.00 21.42 H new ATOM 0 HA LEU A 25 -3.111 -12.214 9.269 1.00 23.43 H new ATOM 0 HB2 LEU A 25 -1.174 -10.837 8.225 1.00 42.24 H new ATOM 0 HB3 LEU A 25 -0.897 -12.236 7.208 1.00 42.24 H new ATOM 0 HG LEU A 25 -3.219 -12.069 6.354 1.00 13.15 H new ATOM 0 HD11 LEU A 25 -4.529 -10.040 6.831 1.00 73.31 H new ATOM 0 HD12 LEU A 25 -4.249 -11.003 8.302 1.00 73.31 H new ATOM 0 HD13 LEU A 25 -3.299 -9.526 8.010 1.00 73.31 H new ATOM 0 HD21 LEU A 25 -2.861 -10.038 5.009 1.00 51.34 H new ATOM 0 HD22 LEU A 25 -1.576 -9.527 6.128 1.00 51.34 H new ATOM 0 HD23 LEU A 25 -1.372 -11.001 5.153 1.00 51.34 H new ATOM 418 N GLU A 26 -3.627 -14.305 7.961 1.00 33.14 N ATOM 419 CA GLU A 26 -3.941 -15.554 7.299 1.00 63.44 C ATOM 420 C GLU A 26 -3.246 -15.624 5.948 1.00 53.44 C ATOM 421 O GLU A 26 -3.073 -14.605 5.277 1.00 2.43 O ATOM 422 CB GLU A 26 -5.444 -15.672 7.102 1.00 34.00 C ATOM 423 CG GLU A 26 -6.220 -15.893 8.384 1.00 41.43 C ATOM 424 CD GLU A 26 -7.684 -15.550 8.225 1.00 63.32 C ATOM 425 OE1 GLU A 26 -8.426 -16.342 7.604 1.00 53.02 O ATOM 426 OE2 GLU A 26 -8.094 -14.472 8.701 1.00 51.14 O ATOM 0 H GLU A 26 -4.427 -13.688 8.100 1.00 33.14 H new ATOM 0 HA GLU A 26 -3.591 -16.376 7.923 1.00 63.44 H new ATOM 0 HB2 GLU A 26 -5.809 -14.765 6.621 1.00 34.00 H new ATOM 0 HB3 GLU A 26 -5.647 -16.498 6.420 1.00 34.00 H new ATOM 0 HG2 GLU A 26 -6.123 -16.934 8.692 1.00 41.43 H new ATOM 0 HG3 GLU A 26 -5.789 -15.284 9.179 1.00 41.43 H new ATOM 433 N ILE A 27 -2.867 -16.824 5.544 1.00 25.31 N ATOM 434 CA ILE A 27 -2.183 -17.016 4.276 1.00 25.40 C ATOM 435 C ILE A 27 -3.109 -16.663 3.117 1.00 24.14 C ATOM 436 O ILE A 27 -2.670 -16.123 2.108 1.00 15.14 O ATOM 437 CB ILE A 27 -1.670 -18.465 4.110 1.00 1.31 C ATOM 438 CG1 ILE A 27 -0.726 -18.832 5.259 1.00 22.13 C ATOM 439 CG2 ILE A 27 -0.961 -18.630 2.772 1.00 54.21 C ATOM 440 CD1 ILE A 27 -0.198 -20.250 5.179 1.00 12.13 C ATOM 0 H ILE A 27 -3.021 -17.681 6.076 1.00 25.31 H new ATOM 0 HA ILE A 27 -1.319 -16.352 4.270 1.00 25.40 H new ATOM 0 HB ILE A 27 -2.527 -19.138 4.134 1.00 1.31 H new ATOM 0 HG12 ILE A 27 0.116 -18.139 5.262 1.00 22.13 H new ATOM 0 HG13 ILE A 27 -1.251 -18.701 6.205 1.00 22.13 H new ATOM 0 HG21 ILE A 27 -0.606 -19.656 2.672 1.00 54.21 H new ATOM 0 HG22 ILE A 27 -1.655 -18.406 1.962 1.00 54.21 H new ATOM 0 HG23 ILE A 27 -0.113 -17.947 2.723 1.00 54.21 H new ATOM 0 HD11 ILE A 27 0.464 -20.440 6.024 1.00 12.13 H new ATOM 0 HD12 ILE A 27 -1.032 -20.951 5.206 1.00 12.13 H new ATOM 0 HD13 ILE A 27 0.355 -20.380 4.249 1.00 12.13 H new ATOM 452 N GLY A 28 -4.396 -16.950 3.285 1.00 31.41 N ATOM 453 CA GLY A 28 -5.371 -16.658 2.248 1.00 3.30 C ATOM 454 C GLY A 28 -5.420 -15.183 1.894 1.00 20.40 C ATOM 455 O GLY A 28 -5.241 -14.809 0.730 1.00 20.54 O ATOM 0 H GLY A 28 -4.783 -17.381 4.124 1.00 31.41 H new ATOM 0 HA2 GLY A 28 -5.130 -17.235 1.355 1.00 3.30 H new ATOM 0 HA3 GLY A 28 -6.358 -16.981 2.580 1.00 3.30 H new ATOM 459 N THR A 29 -5.654 -14.345 2.894 1.00 25.13 N ATOM 460 CA THR A 29 -5.702 -12.907 2.690 1.00 64.13 C ATOM 461 C THR A 29 -4.323 -12.366 2.290 1.00 32.32 C ATOM 462 O THR A 29 -4.212 -11.559 1.363 1.00 24.32 O ATOM 463 CB THR A 29 -6.246 -12.176 3.945 1.00 41.11 C ATOM 464 OG1 THR A 29 -6.286 -10.759 3.737 1.00 54.20 O ATOM 465 CG2 THR A 29 -5.422 -12.490 5.181 1.00 10.11 C ATOM 0 H THR A 29 -5.814 -14.639 3.857 1.00 25.13 H new ATOM 0 HA THR A 29 -6.393 -12.710 1.870 1.00 64.13 H new ATOM 0 HB THR A 29 -7.260 -12.540 4.109 1.00 41.11 H new ATOM 0 HG1 THR A 29 -6.634 -10.320 4.541 1.00 54.20 H new ATOM 0 HG21 THR A 29 -5.835 -11.959 6.038 1.00 10.11 H new ATOM 0 HG22 THR A 29 -5.447 -13.563 5.372 1.00 10.11 H new ATOM 0 HG23 THR A 29 -4.391 -12.174 5.021 1.00 10.11 H new ATOM 473 N PHE A 30 -3.275 -12.839 2.972 1.00 23.42 N ATOM 474 CA PHE A 30 -1.900 -12.483 2.632 1.00 5.03 C ATOM 475 C PHE A 30 -1.612 -12.738 1.152 1.00 31.44 C ATOM 476 O PHE A 30 -1.176 -11.839 0.438 1.00 40.32 O ATOM 477 CB PHE A 30 -0.924 -13.284 3.505 1.00 43.12 C ATOM 478 CG PHE A 30 0.521 -13.115 3.130 1.00 51.33 C ATOM 479 CD1 PHE A 30 1.171 -11.911 3.339 1.00 5.13 C ATOM 480 CD2 PHE A 30 1.228 -14.167 2.570 1.00 61.30 C ATOM 481 CE1 PHE A 30 2.502 -11.760 2.997 1.00 12.24 C ATOM 482 CE2 PHE A 30 2.557 -14.022 2.228 1.00 42.04 C ATOM 483 CZ PHE A 30 3.195 -12.816 2.441 1.00 23.34 C ATOM 0 H PHE A 30 -3.357 -13.473 3.767 1.00 23.42 H new ATOM 0 HA PHE A 30 -1.766 -11.418 2.822 1.00 5.03 H new ATOM 0 HB2 PHE A 30 -1.055 -12.985 4.545 1.00 43.12 H new ATOM 0 HB3 PHE A 30 -1.182 -14.341 3.443 1.00 43.12 H new ATOM 0 HD1 PHE A 30 0.633 -11.081 3.774 1.00 5.13 H new ATOM 0 HD2 PHE A 30 0.733 -15.112 2.399 1.00 61.30 H new ATOM 0 HE1 PHE A 30 2.999 -10.816 3.165 1.00 12.24 H new ATOM 0 HE2 PHE A 30 3.097 -14.851 1.794 1.00 42.04 H new ATOM 0 HZ PHE A 30 4.235 -12.699 2.173 1.00 23.34 H new ATOM 493 N ARG A 31 -1.885 -13.957 0.702 1.00 15.11 N ATOM 494 CA ARG A 31 -1.619 -14.369 -0.672 1.00 35.22 C ATOM 495 C ARG A 31 -2.410 -13.530 -1.676 1.00 60.14 C ATOM 496 O ARG A 31 -1.922 -13.230 -2.770 1.00 35.45 O ATOM 497 CB ARG A 31 -1.977 -15.847 -0.828 1.00 53.14 C ATOM 498 CG ARG A 31 -1.290 -16.542 -1.988 1.00 75.24 C ATOM 499 CD ARG A 31 -1.670 -18.012 -2.043 1.00 64.15 C ATOM 500 NE ARG A 31 -1.218 -18.663 -3.272 1.00 73.34 N ATOM 501 CZ ARG A 31 -1.633 -19.866 -3.675 1.00 64.31 C ATOM 502 NH1 ARG A 31 -2.501 -20.553 -2.939 1.00 41.24 N ATOM 503 NH2 ARG A 31 -1.183 -20.381 -4.813 1.00 21.23 N ATOM 0 H ARG A 31 -2.298 -14.689 1.280 1.00 15.11 H new ATOM 0 HA ARG A 31 -0.560 -14.215 -0.880 1.00 35.22 H new ATOM 0 HB2 ARG A 31 -1.722 -16.369 0.094 1.00 53.14 H new ATOM 0 HB3 ARG A 31 -3.056 -15.935 -0.956 1.00 53.14 H new ATOM 0 HG2 ARG A 31 -1.567 -16.056 -2.924 1.00 75.24 H new ATOM 0 HG3 ARG A 31 -0.209 -16.446 -1.886 1.00 75.24 H new ATOM 0 HD2 ARG A 31 -1.240 -18.527 -1.184 1.00 64.15 H new ATOM 0 HD3 ARG A 31 -2.753 -18.107 -1.963 1.00 64.15 H new ATOM 0 HE ARG A 31 -0.545 -18.168 -3.857 1.00 73.34 H new ATOM 0 HH11 ARG A 31 -2.851 -20.161 -2.065 1.00 41.24 H new ATOM 0 HH12 ARG A 31 -2.817 -21.472 -3.249 1.00 41.24 H new ATOM 0 HH21 ARG A 31 -0.518 -19.857 -5.382 1.00 21.23 H new ATOM 0 HH22 ARG A 31 -1.502 -21.301 -5.118 1.00 21.23 H new ATOM 517 N HIS A 32 -3.622 -13.140 -1.295 1.00 60.10 N ATOM 518 CA HIS A 32 -4.511 -12.401 -2.190 1.00 20.23 C ATOM 519 C HIS A 32 -3.927 -11.026 -2.531 1.00 44.21 C ATOM 520 O HIS A 32 -4.120 -10.517 -3.631 1.00 2.45 O ATOM 521 CB HIS A 32 -5.897 -12.255 -1.553 1.00 60.35 C ATOM 522 CG HIS A 32 -6.972 -11.798 -2.501 1.00 41.41 C ATOM 523 ND1 HIS A 32 -8.272 -11.580 -2.103 1.00 61.21 N ATOM 524 CD2 HIS A 32 -6.940 -11.522 -3.829 1.00 73.45 C ATOM 525 CE1 HIS A 32 -8.990 -11.188 -3.138 1.00 1.30 C ATOM 526 NE2 HIS A 32 -8.206 -11.145 -4.197 1.00 15.14 N ATOM 0 H HIS A 32 -4.013 -13.323 -0.371 1.00 60.10 H new ATOM 0 HA HIS A 32 -4.609 -12.963 -3.119 1.00 20.23 H new ATOM 0 HB2 HIS A 32 -6.190 -13.214 -1.126 1.00 60.35 H new ATOM 0 HB3 HIS A 32 -5.831 -11.545 -0.728 1.00 60.35 H new ATOM 0 HD2 HIS A 32 -6.078 -11.587 -4.476 1.00 73.45 H new ATOM 0 HE1 HIS A 32 -10.042 -10.944 -3.121 1.00 1.30 H new ATOM 0 HE2 HIS A 32 -8.494 -10.875 -5.137 1.00 15.14 H new ATOM 535 N HIS A 33 -3.202 -10.436 -1.592 1.00 55.24 N ATOM 536 CA HIS A 33 -2.564 -9.144 -1.830 1.00 52.35 C ATOM 537 C HIS A 33 -1.059 -9.250 -1.596 1.00 34.10 C ATOM 538 O HIS A 33 -0.422 -8.324 -1.091 1.00 71.44 O ATOM 539 CB HIS A 33 -3.184 -8.043 -0.949 1.00 54.11 C ATOM 540 CG HIS A 33 -3.120 -8.295 0.530 1.00 2.44 C ATOM 541 ND1 HIS A 33 -1.940 -8.331 1.238 1.00 42.43 N ATOM 542 CD2 HIS A 33 -4.103 -8.509 1.436 1.00 23.14 C ATOM 543 CE1 HIS A 33 -2.199 -8.550 2.513 1.00 64.35 C ATOM 544 NE2 HIS A 33 -3.504 -8.661 2.660 1.00 62.12 N ATOM 0 H HIS A 33 -3.040 -10.826 -0.663 1.00 55.24 H new ATOM 0 HA HIS A 33 -2.735 -8.864 -2.869 1.00 52.35 H new ATOM 0 HB2 HIS A 33 -2.679 -7.101 -1.163 1.00 54.11 H new ATOM 0 HB3 HIS A 33 -4.228 -7.916 -1.235 1.00 54.11 H new ATOM 0 HD1 HIS A 33 -1.010 -8.207 0.839 1.00 42.43 H new ATOM 0 HD2 HIS A 33 -5.163 -8.552 1.232 1.00 23.14 H new ATOM 0 HE1 HIS A 33 -1.466 -8.626 3.302 1.00 64.35 H new ATOM 553 N LYS A 34 -0.502 -10.388 -1.981 1.00 75.11 N ATOM 554 CA LYS A 34 0.911 -10.664 -1.765 1.00 61.15 C ATOM 555 C LYS A 34 1.773 -10.110 -2.896 1.00 4.41 C ATOM 556 O LYS A 34 2.716 -9.356 -2.655 1.00 24.00 O ATOM 557 CB LYS A 34 1.134 -12.173 -1.651 1.00 54.31 C ATOM 558 CG LYS A 34 2.582 -12.565 -1.420 1.00 74.02 C ATOM 559 CD LYS A 34 2.782 -14.061 -1.569 1.00 62.14 C ATOM 560 CE LYS A 34 4.236 -14.439 -1.386 1.00 35.30 C ATOM 561 NZ LYS A 34 4.487 -15.858 -1.737 1.00 12.52 N ATOM 0 H LYS A 34 -1.010 -11.140 -2.447 1.00 75.11 H new ATOM 0 HA LYS A 34 1.206 -10.171 -0.839 1.00 61.15 H new ATOM 0 HB2 LYS A 34 0.528 -12.559 -0.831 1.00 54.31 H new ATOM 0 HB3 LYS A 34 0.779 -12.653 -2.563 1.00 54.31 H new ATOM 0 HG2 LYS A 34 3.220 -12.039 -2.130 1.00 74.02 H new ATOM 0 HG3 LYS A 34 2.890 -12.253 -0.422 1.00 74.02 H new ATOM 0 HD2 LYS A 34 2.171 -14.587 -0.835 1.00 62.14 H new ATOM 0 HD3 LYS A 34 2.442 -14.380 -2.554 1.00 62.14 H new ATOM 0 HE2 LYS A 34 4.859 -13.796 -2.007 1.00 35.30 H new ATOM 0 HE3 LYS A 34 4.529 -14.264 -0.351 1.00 35.30 H new ATOM 0 HZ1 LYS A 34 5.494 -16.077 -1.598 1.00 12.52 H new ATOM 0 HZ2 LYS A 34 3.912 -16.473 -1.127 1.00 12.52 H new ATOM 0 HZ3 LYS A 34 4.232 -16.020 -2.732 1.00 12.52 H new ATOM 575 N SER A 35 1.441 -10.485 -4.127 1.00 0.32 N ATOM 576 CA SER A 35 2.282 -10.179 -5.275 1.00 12.41 C ATOM 577 C SER A 35 2.299 -8.680 -5.569 1.00 63.43 C ATOM 578 O SER A 35 3.300 -8.018 -5.318 1.00 51.31 O ATOM 579 CB SER A 35 1.776 -10.958 -6.490 1.00 30.01 C ATOM 580 OG SER A 35 1.463 -12.295 -6.129 1.00 30.04 O ATOM 0 H SER A 35 0.592 -11.003 -4.354 1.00 0.32 H new ATOM 0 HA SER A 35 3.306 -10.477 -5.049 1.00 12.41 H new ATOM 0 HB2 SER A 35 0.892 -10.470 -6.900 1.00 30.01 H new ATOM 0 HB3 SER A 35 2.534 -10.955 -7.273 1.00 30.01 H new ATOM 0 HG SER A 35 1.139 -12.779 -6.917 1.00 30.04 H new ATOM 586 N CYS A 36 1.179 -8.171 -6.088 1.00 50.55 N ATOM 587 CA CYS A 36 0.983 -6.743 -6.387 1.00 50.20 C ATOM 588 C CYS A 36 2.195 -6.079 -7.057 1.00 64.43 C ATOM 589 O CYS A 36 2.296 -6.044 -8.286 1.00 42.20 O ATOM 590 CB CYS A 36 0.596 -5.990 -5.113 1.00 4.55 C ATOM 591 SG CYS A 36 -0.930 -6.581 -4.346 1.00 35.20 S ATOM 0 H CYS A 36 0.368 -8.745 -6.317 1.00 50.55 H new ATOM 0 HA CYS A 36 0.172 -6.688 -7.113 1.00 50.20 H new ATOM 0 HB2 CYS A 36 1.409 -6.074 -4.392 1.00 4.55 H new ATOM 0 HB3 CYS A 36 0.486 -4.931 -5.348 1.00 4.55 H new ATOM 0 HG CYS A 36 -1.903 -5.767 -4.631 1.00 35.20 H new ATOM 597 N MET A 37 3.128 -5.592 -6.239 1.00 34.25 N ATOM 598 CA MET A 37 4.300 -4.873 -6.730 1.00 24.22 C ATOM 599 C MET A 37 5.182 -5.784 -7.574 1.00 44.01 C ATOM 600 O MET A 37 5.859 -5.333 -8.493 1.00 71.42 O ATOM 601 CB MET A 37 5.109 -4.313 -5.559 1.00 1.24 C ATOM 602 CG MET A 37 4.330 -3.345 -4.683 1.00 75.24 C ATOM 603 SD MET A 37 5.279 -2.781 -3.254 1.00 31.03 S ATOM 604 CE MET A 37 4.082 -1.706 -2.458 1.00 32.11 C ATOM 0 H MET A 37 3.092 -5.685 -5.224 1.00 34.25 H new ATOM 0 HA MET A 37 3.953 -4.049 -7.353 1.00 24.22 H new ATOM 0 HB2 MET A 37 5.462 -5.141 -4.944 1.00 1.24 H new ATOM 0 HB3 MET A 37 5.992 -3.806 -5.949 1.00 1.24 H new ATOM 0 HG2 MET A 37 4.031 -2.483 -5.279 1.00 75.24 H new ATOM 0 HG3 MET A 37 3.415 -3.828 -4.339 1.00 75.24 H new ATOM 0 HE1 MET A 37 4.303 -0.668 -2.707 1.00 32.11 H new ATOM 0 HE2 MET A 37 3.080 -1.957 -2.806 1.00 32.11 H new ATOM 0 HE3 MET A 37 4.135 -1.839 -1.377 1.00 32.11 H new ATOM 614 N ARG A 38 5.147 -7.073 -7.262 1.00 62.54 N ATOM 615 CA ARG A 38 5.928 -8.067 -7.986 1.00 11.02 C ATOM 616 C ARG A 38 5.489 -8.172 -9.446 1.00 70.44 C ATOM 617 O ARG A 38 6.276 -8.564 -10.306 1.00 73.40 O ATOM 618 CB ARG A 38 5.819 -9.433 -7.299 1.00 13.25 C ATOM 619 CG ARG A 38 7.007 -9.772 -6.404 1.00 3.35 C ATOM 620 CD ARG A 38 7.237 -8.724 -5.323 1.00 21.43 C ATOM 621 NE ARG A 38 6.134 -8.653 -4.367 1.00 23.21 N ATOM 622 CZ ARG A 38 5.973 -7.669 -3.477 1.00 62.24 C ATOM 623 NH1 ARG A 38 6.851 -6.669 -3.405 1.00 22.32 N ATOM 624 NH2 ARG A 38 4.925 -7.688 -2.660 1.00 43.23 N ATOM 0 H ARG A 38 4.581 -7.457 -6.505 1.00 62.54 H new ATOM 0 HA ARG A 38 6.969 -7.744 -7.974 1.00 11.02 H new ATOM 0 HB2 ARG A 38 4.908 -9.456 -6.701 1.00 13.25 H new ATOM 0 HB3 ARG A 38 5.719 -10.205 -8.062 1.00 13.25 H new ATOM 0 HG2 ARG A 38 6.841 -10.742 -5.936 1.00 3.35 H new ATOM 0 HG3 ARG A 38 7.905 -9.863 -7.015 1.00 3.35 H new ATOM 0 HD2 ARG A 38 8.160 -8.953 -4.791 1.00 21.43 H new ATOM 0 HD3 ARG A 38 7.372 -7.748 -5.790 1.00 21.43 H new ATOM 0 HE ARG A 38 5.442 -9.403 -4.380 1.00 23.21 H new ATOM 0 HH11 ARG A 38 7.655 -6.650 -4.033 1.00 22.32 H new ATOM 0 HH12 ARG A 38 6.719 -5.923 -2.722 1.00 22.32 H new ATOM 0 HH21 ARG A 38 4.250 -8.450 -2.715 1.00 43.23 H new ATOM 0 HH22 ARG A 38 4.796 -6.940 -1.978 1.00 43.23 H new ATOM 638 N LYS A 39 4.234 -7.825 -9.728 1.00 44.44 N ATOM 639 CA LYS A 39 3.722 -7.873 -11.080 1.00 23.42 C ATOM 640 C LYS A 39 4.041 -6.559 -11.794 1.00 33.34 C ATOM 641 O LYS A 39 4.285 -6.528 -12.999 1.00 41.51 O ATOM 642 CB LYS A 39 2.208 -8.139 -11.030 1.00 2.41 C ATOM 643 CG LYS A 39 1.542 -8.333 -12.386 1.00 20.34 C ATOM 644 CD LYS A 39 1.333 -7.012 -13.110 1.00 11.33 C ATOM 645 CE LYS A 39 0.400 -6.085 -12.343 1.00 60.53 C ATOM 646 NZ LYS A 39 -1.001 -6.582 -12.331 1.00 40.14 N ATOM 0 H LYS A 39 3.559 -7.508 -9.032 1.00 44.44 H new ATOM 0 HA LYS A 39 4.195 -8.679 -11.641 1.00 23.42 H new ATOM 0 HB2 LYS A 39 2.031 -9.028 -10.425 1.00 2.41 H new ATOM 0 HB3 LYS A 39 1.725 -7.305 -10.521 1.00 2.41 H new ATOM 0 HG2 LYS A 39 2.156 -8.991 -13.001 1.00 20.34 H new ATOM 0 HG3 LYS A 39 0.581 -8.829 -12.251 1.00 20.34 H new ATOM 0 HD2 LYS A 39 2.295 -6.521 -13.254 1.00 11.33 H new ATOM 0 HD3 LYS A 39 0.921 -7.202 -14.101 1.00 11.33 H new ATOM 0 HE2 LYS A 39 0.756 -5.981 -11.318 1.00 60.53 H new ATOM 0 HE3 LYS A 39 0.428 -5.092 -12.792 1.00 60.53 H new ATOM 0 HZ1 LYS A 39 -1.615 -5.879 -11.872 1.00 40.14 H new ATOM 0 HZ2 LYS A 39 -1.323 -6.737 -13.308 1.00 40.14 H new ATOM 0 HZ3 LYS A 39 -1.047 -7.478 -11.805 1.00 40.14 H new ATOM 660 N PHE A 40 4.070 -5.480 -11.020 1.00 74.24 N ATOM 661 CA PHE A 40 4.303 -4.139 -11.553 1.00 25.54 C ATOM 662 C PHE A 40 5.760 -3.973 -11.975 1.00 31.02 C ATOM 663 O PHE A 40 6.124 -2.976 -12.599 1.00 3.13 O ATOM 664 CB PHE A 40 3.936 -3.102 -10.487 1.00 30.12 C ATOM 665 CG PHE A 40 3.881 -1.686 -10.992 1.00 12.30 C ATOM 666 CD1 PHE A 40 2.828 -1.262 -11.787 1.00 23.50 C ATOM 667 CD2 PHE A 40 4.877 -0.778 -10.667 1.00 50.43 C ATOM 668 CE1 PHE A 40 2.768 0.039 -12.248 1.00 55.04 C ATOM 669 CE2 PHE A 40 4.824 0.524 -11.127 1.00 43.03 C ATOM 670 CZ PHE A 40 3.767 0.932 -11.918 1.00 23.22 C ATOM 0 H PHE A 40 3.934 -5.507 -10.010 1.00 74.24 H new ATOM 0 HA PHE A 40 3.678 -3.991 -12.434 1.00 25.54 H new ATOM 0 HB2 PHE A 40 2.966 -3.362 -10.063 1.00 30.12 H new ATOM 0 HB3 PHE A 40 4.663 -3.158 -9.677 1.00 30.12 H new ATOM 0 HD1 PHE A 40 2.044 -1.957 -12.049 1.00 23.50 H new ATOM 0 HD2 PHE A 40 5.704 -1.092 -10.047 1.00 50.43 H new ATOM 0 HE1 PHE A 40 1.941 0.357 -12.865 1.00 55.04 H new ATOM 0 HE2 PHE A 40 5.607 1.221 -10.869 1.00 43.03 H new ATOM 0 HZ PHE A 40 3.723 1.949 -12.278 1.00 23.22 H new ATOM 680 N LYS A 41 6.568 -4.973 -11.631 1.00 53.14 N ATOM 681 CA LYS A 41 8.002 -4.993 -11.922 1.00 60.12 C ATOM 682 C LYS A 41 8.738 -4.051 -10.978 1.00 45.51 C ATOM 683 O LYS A 41 8.732 -2.830 -11.153 1.00 42.50 O ATOM 684 CB LYS A 41 8.294 -4.636 -13.386 1.00 60.01 C ATOM 685 CG LYS A 41 9.695 -5.009 -13.842 1.00 32.02 C ATOM 686 CD LYS A 41 9.973 -4.498 -15.247 1.00 51.45 C ATOM 687 CE LYS A 41 11.283 -5.042 -15.795 1.00 73.22 C ATOM 688 NZ LYS A 41 11.677 -4.350 -17.049 1.00 30.13 N ATOM 0 H LYS A 41 6.243 -5.803 -11.136 1.00 53.14 H new ATOM 0 HA LYS A 41 8.362 -6.009 -11.763 1.00 60.12 H new ATOM 0 HB2 LYS A 41 7.568 -5.140 -14.024 1.00 60.01 H new ATOM 0 HB3 LYS A 41 8.151 -3.564 -13.524 1.00 60.01 H new ATOM 0 HG2 LYS A 41 10.428 -4.594 -13.150 1.00 32.02 H new ATOM 0 HG3 LYS A 41 9.812 -6.092 -13.817 1.00 32.02 H new ATOM 0 HD2 LYS A 41 9.155 -4.786 -15.907 1.00 51.45 H new ATOM 0 HD3 LYS A 41 10.007 -3.409 -15.238 1.00 51.45 H new ATOM 0 HE2 LYS A 41 12.069 -4.921 -15.049 1.00 73.22 H new ATOM 0 HE3 LYS A 41 11.184 -6.111 -15.984 1.00 73.22 H new ATOM 0 HZ1 LYS A 41 12.574 -4.745 -17.396 1.00 30.13 H new ATOM 0 HZ2 LYS A 41 10.938 -4.486 -17.768 1.00 30.13 H new ATOM 0 HZ3 LYS A 41 11.795 -3.334 -16.862 1.00 30.13 H new ATOM 702 N GLU A 42 9.360 -4.636 -9.964 1.00 11.32 N ATOM 703 CA GLU A 42 10.013 -3.875 -8.914 1.00 73.50 C ATOM 704 C GLU A 42 11.298 -3.208 -9.405 1.00 45.02 C ATOM 705 O GLU A 42 11.657 -3.302 -10.582 1.00 62.42 O ATOM 706 CB GLU A 42 10.315 -4.782 -7.719 1.00 50.12 C ATOM 707 CG GLU A 42 9.074 -5.389 -7.083 1.00 34.31 C ATOM 708 CD GLU A 42 9.390 -6.196 -5.841 1.00 22.20 C ATOM 709 OE1 GLU A 42 9.892 -7.327 -5.975 1.00 61.53 O ATOM 710 OE2 GLU A 42 9.137 -5.697 -4.724 1.00 71.32 O ATOM 0 H GLU A 42 9.425 -5.647 -9.848 1.00 11.32 H new ATOM 0 HA GLU A 42 9.329 -3.084 -8.608 1.00 73.50 H new ATOM 0 HB2 GLU A 42 10.977 -5.586 -8.042 1.00 50.12 H new ATOM 0 HB3 GLU A 42 10.855 -4.208 -6.966 1.00 50.12 H new ATOM 0 HG2 GLU A 42 8.376 -4.593 -6.826 1.00 34.31 H new ATOM 0 HG3 GLU A 42 8.574 -6.029 -7.810 1.00 34.31 H new ATOM 717 N TYR A 43 11.983 -2.544 -8.470 1.00 1.41 N ATOM 718 CA TYR A 43 13.184 -1.769 -8.762 1.00 3.11 C ATOM 719 C TYR A 43 12.857 -0.619 -9.701 1.00 42.15 C ATOM 720 O TYR A 43 12.931 -0.738 -10.922 1.00 4.14 O ATOM 721 CB TYR A 43 14.303 -2.657 -9.312 1.00 11.34 C ATOM 722 CG TYR A 43 14.812 -3.640 -8.281 1.00 65.42 C ATOM 723 CD1 TYR A 43 15.706 -3.235 -7.298 1.00 5.11 C ATOM 724 CD2 TYR A 43 14.385 -4.961 -8.277 1.00 73.32 C ATOM 725 CE1 TYR A 43 16.157 -4.118 -6.339 1.00 74.01 C ATOM 726 CE2 TYR A 43 14.836 -5.852 -7.322 1.00 13.31 C ATOM 727 CZ TYR A 43 15.720 -5.424 -6.355 1.00 43.42 C ATOM 728 OH TYR A 43 16.159 -6.302 -5.390 1.00 65.20 O ATOM 0 H TYR A 43 11.716 -2.531 -7.486 1.00 1.41 H new ATOM 0 HA TYR A 43 13.553 -1.343 -7.829 1.00 3.11 H new ATOM 0 HB2 TYR A 43 13.937 -3.202 -10.182 1.00 11.34 H new ATOM 0 HB3 TYR A 43 15.128 -2.031 -9.652 1.00 11.34 H new ATOM 0 HD1 TYR A 43 16.053 -2.213 -7.284 1.00 5.11 H new ATOM 0 HD2 TYR A 43 13.690 -5.297 -9.032 1.00 73.32 H new ATOM 0 HE1 TYR A 43 16.849 -3.787 -5.579 1.00 74.01 H new ATOM 0 HE2 TYR A 43 14.498 -6.878 -7.333 1.00 13.31 H new ATOM 0 HH TYR A 43 15.757 -7.183 -5.542 1.00 65.20 H new ATOM 738 N CYS A 44 12.473 0.493 -9.096 1.00 3.32 N ATOM 739 CA CYS A 44 11.991 1.652 -9.818 1.00 72.22 C ATOM 740 C CYS A 44 12.201 2.881 -8.941 1.00 54.14 C ATOM 741 O CYS A 44 12.962 2.816 -7.971 1.00 32.44 O ATOM 742 CB CYS A 44 10.504 1.462 -10.159 1.00 44.14 C ATOM 743 SG CYS A 44 9.842 2.645 -11.357 1.00 43.51 S ATOM 0 H CYS A 44 12.488 0.615 -8.083 1.00 3.32 H new ATOM 0 HA CYS A 44 12.536 1.781 -10.753 1.00 72.22 H new ATOM 0 HB2 CYS A 44 10.361 0.454 -10.548 1.00 44.14 H new ATOM 0 HB3 CYS A 44 9.923 1.534 -9.240 1.00 44.14 H new ATOM 0 HG CYS A 44 8.585 2.390 -11.570 1.00 43.51 H new ATOM 749 N GLU A 45 11.547 3.986 -9.276 1.00 65.52 N ATOM 750 CA GLU A 45 11.655 5.206 -8.486 1.00 13.24 C ATOM 751 C GLU A 45 11.297 4.943 -7.028 1.00 51.44 C ATOM 752 O GLU A 45 10.191 4.495 -6.715 1.00 12.41 O ATOM 753 CB GLU A 45 10.755 6.315 -9.044 1.00 71.14 C ATOM 754 CG GLU A 45 11.284 6.971 -10.309 1.00 74.44 C ATOM 755 CD GLU A 45 11.280 6.048 -11.504 1.00 12.11 C ATOM 756 OE1 GLU A 45 10.237 5.964 -12.188 1.00 23.41 O ATOM 757 OE2 GLU A 45 12.319 5.408 -11.769 1.00 5.42 O ATOM 0 H GLU A 45 10.936 4.063 -10.089 1.00 65.52 H new ATOM 0 HA GLU A 45 12.692 5.537 -8.545 1.00 13.24 H new ATOM 0 HB2 GLU A 45 9.769 5.898 -9.250 1.00 71.14 H new ATOM 0 HB3 GLU A 45 10.624 7.080 -8.279 1.00 71.14 H new ATOM 0 HG2 GLU A 45 10.680 7.850 -10.535 1.00 74.44 H new ATOM 0 HG3 GLU A 45 12.301 7.320 -10.131 1.00 74.44 H new ATOM 764 N GLY A 46 12.249 5.213 -6.147 1.00 1.35 N ATOM 765 CA GLY A 46 12.024 5.038 -4.729 1.00 14.03 C ATOM 766 C GLY A 46 11.222 6.180 -4.149 1.00 14.22 C ATOM 767 O GLY A 46 11.781 7.091 -3.533 1.00 64.40 O ATOM 0 H GLY A 46 13.179 5.552 -6.392 1.00 1.35 H new ATOM 0 HA2 GLY A 46 11.498 4.099 -4.556 1.00 14.03 H new ATOM 0 HA3 GLY A 46 12.982 4.967 -4.214 1.00 14.03 H new ATOM 771 N LEU A 47 9.917 6.151 -4.390 1.00 4.20 N ATOM 772 CA LEU A 47 9.012 7.163 -3.866 1.00 23.33 C ATOM 773 C LEU A 47 9.067 7.177 -2.343 1.00 62.41 C ATOM 774 O LEU A 47 8.882 6.145 -1.695 1.00 43.25 O ATOM 775 CB LEU A 47 7.583 6.898 -4.344 1.00 72.23 C ATOM 776 CG LEU A 47 6.583 8.021 -4.063 1.00 75.45 C ATOM 777 CD1 LEU A 47 6.950 9.269 -4.852 1.00 24.20 C ATOM 778 CD2 LEU A 47 5.172 7.571 -4.401 1.00 62.21 C ATOM 0 H LEU A 47 9.460 5.431 -4.950 1.00 4.20 H new ATOM 0 HA LEU A 47 9.325 8.139 -4.237 1.00 23.33 H new ATOM 0 HB2 LEU A 47 7.605 6.713 -5.418 1.00 72.23 H new ATOM 0 HB3 LEU A 47 7.222 5.985 -3.870 1.00 72.23 H new ATOM 0 HG LEU A 47 6.622 8.262 -3.001 1.00 75.45 H new ATOM 0 HD11 LEU A 47 6.229 10.058 -4.641 1.00 24.20 H new ATOM 0 HD12 LEU A 47 7.947 9.602 -4.563 1.00 24.20 H new ATOM 0 HD13 LEU A 47 6.938 9.042 -5.918 1.00 24.20 H new ATOM 0 HD21 LEU A 47 4.473 8.381 -4.195 1.00 62.21 H new ATOM 0 HD22 LEU A 47 5.118 7.304 -5.456 1.00 62.21 H new ATOM 0 HD23 LEU A 47 4.911 6.704 -3.794 1.00 62.21 H new ATOM 790 N GLN A 48 9.333 8.349 -1.784 1.00 4.25 N ATOM 791 CA GLN A 48 9.521 8.489 -0.352 1.00 42.32 C ATOM 792 C GLN A 48 8.195 8.398 0.395 1.00 71.02 C ATOM 793 O GLN A 48 7.124 8.439 -0.210 1.00 71.05 O ATOM 794 CB GLN A 48 10.213 9.814 -0.043 1.00 74.24 C ATOM 795 CG GLN A 48 11.605 9.931 -0.647 1.00 74.22 C ATOM 796 CD GLN A 48 12.558 8.868 -0.132 1.00 41.54 C ATOM 797 OE1 GLN A 48 13.230 9.063 0.879 1.00 65.00 O ATOM 798 NE2 GLN A 48 12.630 7.743 -0.826 1.00 41.10 N ATOM 0 H GLN A 48 9.423 9.220 -2.307 1.00 4.25 H new ATOM 0 HA GLN A 48 10.151 7.667 -0.012 1.00 42.32 H new ATOM 0 HB2 GLN A 48 9.595 10.632 -0.414 1.00 74.24 H new ATOM 0 HB3 GLN A 48 10.284 9.933 1.038 1.00 74.24 H new ATOM 0 HG2 GLN A 48 11.533 9.854 -1.732 1.00 74.22 H new ATOM 0 HG3 GLN A 48 12.012 10.917 -0.423 1.00 74.22 H new ATOM 0 HE21 GLN A 48 12.055 7.620 -1.660 1.00 41.10 H new ATOM 0 HE22 GLN A 48 13.260 6.999 -0.527 1.00 41.10 H new ATOM 807 N PHE A 49 8.288 8.296 1.713 1.00 0.12 N ATOM 808 CA PHE A 49 7.118 8.120 2.567 1.00 75.15 C ATOM 809 C PHE A 49 6.225 9.352 2.523 1.00 51.12 C ATOM 810 O PHE A 49 5.018 9.253 2.315 1.00 63.24 O ATOM 811 CB PHE A 49 7.544 7.862 4.020 1.00 41.15 C ATOM 812 CG PHE A 49 8.471 6.689 4.206 1.00 71.12 C ATOM 813 CD1 PHE A 49 9.825 6.804 3.926 1.00 1.13 C ATOM 814 CD2 PHE A 49 7.989 5.477 4.675 1.00 11.22 C ATOM 815 CE1 PHE A 49 10.678 5.733 4.106 1.00 62.24 C ATOM 816 CE2 PHE A 49 8.839 4.403 4.858 1.00 35.22 C ATOM 817 CZ PHE A 49 10.184 4.530 4.572 1.00 32.31 C ATOM 0 H PHE A 49 9.172 8.332 2.221 1.00 0.12 H new ATOM 0 HA PHE A 49 6.562 7.260 2.193 1.00 75.15 H new ATOM 0 HB2 PHE A 49 8.031 8.757 4.406 1.00 41.15 H new ATOM 0 HB3 PHE A 49 6.650 7.701 4.623 1.00 41.15 H new ATOM 0 HD1 PHE A 49 10.217 7.743 3.563 1.00 1.13 H new ATOM 0 HD2 PHE A 49 6.938 5.371 4.900 1.00 11.22 H new ATOM 0 HE1 PHE A 49 11.730 5.836 3.883 1.00 62.24 H new ATOM 0 HE2 PHE A 49 8.451 3.464 5.225 1.00 35.22 H new ATOM 0 HZ PHE A 49 10.849 3.690 4.712 1.00 32.31 H new ATOM 827 N HIS A 50 6.836 10.517 2.702 1.00 40.10 N ATOM 828 CA HIS A 50 6.099 11.771 2.799 1.00 0.14 C ATOM 829 C HIS A 50 5.566 12.201 1.435 1.00 71.51 C ATOM 830 O HIS A 50 4.737 13.103 1.340 1.00 3.34 O ATOM 831 CB HIS A 50 7.002 12.861 3.385 1.00 40.01 C ATOM 832 CG HIS A 50 6.254 14.054 3.891 1.00 22.13 C ATOM 833 ND1 HIS A 50 6.199 15.246 3.211 1.00 33.41 N ATOM 834 CD2 HIS A 50 5.537 14.237 5.025 1.00 2.22 C ATOM 835 CE1 HIS A 50 5.484 16.112 3.901 1.00 33.11 C ATOM 836 NE2 HIS A 50 5.069 15.527 5.007 1.00 20.22 N ATOM 0 H HIS A 50 7.848 10.619 2.783 1.00 40.10 H new ATOM 0 HA HIS A 50 5.246 11.619 3.460 1.00 0.14 H new ATOM 0 HB2 HIS A 50 7.586 12.436 4.201 1.00 40.01 H new ATOM 0 HB3 HIS A 50 7.709 13.184 2.621 1.00 40.01 H new ATOM 0 HD2 HIS A 50 5.365 13.504 5.800 1.00 2.22 H new ATOM 0 HE1 HIS A 50 5.273 17.130 3.609 1.00 33.11 H new ATOM 0 HE2 HIS A 50 4.495 15.961 5.730 1.00 20.22 H new ATOM 845 N GLU A 51 6.031 11.539 0.386 1.00 50.23 N ATOM 846 CA GLU A 51 5.616 11.862 -0.974 1.00 73.43 C ATOM 847 C GLU A 51 4.276 11.215 -1.297 1.00 32.40 C ATOM 848 O GLU A 51 3.645 11.535 -2.309 1.00 42.51 O ATOM 849 CB GLU A 51 6.676 11.400 -1.973 1.00 25.03 C ATOM 850 CG GLU A 51 7.982 12.168 -1.864 1.00 3.35 C ATOM 851 CD GLU A 51 7.818 13.629 -2.222 1.00 62.04 C ATOM 852 OE1 GLU A 51 7.949 13.967 -3.414 1.00 75.33 O ATOM 853 OE2 GLU A 51 7.559 14.448 -1.316 1.00 32.23 O ATOM 0 H GLU A 51 6.699 10.771 0.450 1.00 50.23 H new ATOM 0 HA GLU A 51 5.504 12.944 -1.050 1.00 73.43 H new ATOM 0 HB2 GLU A 51 6.873 10.339 -1.818 1.00 25.03 H new ATOM 0 HB3 GLU A 51 6.283 11.507 -2.984 1.00 25.03 H new ATOM 0 HG2 GLU A 51 8.366 12.086 -0.847 1.00 3.35 H new ATOM 0 HG3 GLU A 51 8.724 11.715 -2.522 1.00 3.35 H new ATOM 860 N LEU A 52 3.847 10.307 -0.433 1.00 52.32 N ATOM 861 CA LEU A 52 2.582 9.618 -0.607 1.00 10.03 C ATOM 862 C LEU A 52 1.436 10.526 -0.157 1.00 2.30 C ATOM 863 O LEU A 52 1.143 10.641 1.033 1.00 45.04 O ATOM 864 CB LEU A 52 2.596 8.312 0.194 1.00 31.12 C ATOM 865 CG LEU A 52 1.907 7.118 -0.472 1.00 70.14 C ATOM 866 CD1 LEU A 52 0.423 7.372 -0.629 1.00 22.43 C ATOM 867 CD2 LEU A 52 2.543 6.824 -1.820 1.00 32.41 C ATOM 0 H LEU A 52 4.363 10.030 0.402 1.00 52.32 H new ATOM 0 HA LEU A 52 2.434 9.375 -1.659 1.00 10.03 H new ATOM 0 HB2 LEU A 52 3.633 8.043 0.397 1.00 31.12 H new ATOM 0 HB3 LEU A 52 2.119 8.493 1.157 1.00 31.12 H new ATOM 0 HG LEU A 52 2.036 6.247 0.170 1.00 70.14 H new ATOM 0 HD11 LEU A 52 -0.045 6.510 -1.104 1.00 22.43 H new ATOM 0 HD12 LEU A 52 -0.024 7.533 0.352 1.00 22.43 H new ATOM 0 HD13 LEU A 52 0.269 8.256 -1.248 1.00 22.43 H new ATOM 0 HD21 LEU A 52 2.042 5.973 -2.281 1.00 32.41 H new ATOM 0 HD22 LEU A 52 2.445 7.696 -2.467 1.00 32.41 H new ATOM 0 HD23 LEU A 52 3.599 6.592 -1.681 1.00 32.41 H new ATOM 879 N THR A 53 0.806 11.186 -1.122 1.00 50.13 N ATOM 880 CA THR A 53 -0.205 12.190 -0.828 1.00 21.31 C ATOM 881 C THR A 53 -1.593 11.751 -1.288 1.00 41.43 C ATOM 882 O THR A 53 -1.766 10.657 -1.828 1.00 52.12 O ATOM 883 CB THR A 53 0.149 13.521 -1.514 1.00 53.34 C ATOM 884 OG1 THR A 53 0.361 13.299 -2.914 1.00 31.40 O ATOM 885 CG2 THR A 53 1.395 14.137 -0.900 1.00 14.10 C ATOM 0 H THR A 53 0.979 11.042 -2.117 1.00 50.13 H new ATOM 0 HA THR A 53 -0.223 12.318 0.254 1.00 21.31 H new ATOM 0 HB THR A 53 -0.681 14.213 -1.371 1.00 53.34 H new ATOM 0 HG1 THR A 53 0.585 14.148 -3.350 1.00 31.40 H new ATOM 0 HG21 THR A 53 1.622 15.077 -1.404 1.00 14.10 H new ATOM 0 HG22 THR A 53 1.223 14.326 0.160 1.00 14.10 H new ATOM 0 HG23 THR A 53 2.234 13.451 -1.015 1.00 14.10 H new ATOM 893 N GLU A 54 -2.574 12.624 -1.078 1.00 33.34 N ATOM 894 CA GLU A 54 -3.940 12.380 -1.516 1.00 44.42 C ATOM 895 C GLU A 54 -4.004 12.398 -3.040 1.00 52.53 C ATOM 896 O GLU A 54 -4.725 11.611 -3.655 1.00 34.00 O ATOM 897 CB GLU A 54 -4.874 13.449 -0.944 1.00 70.43 C ATOM 898 CG GLU A 54 -6.338 13.235 -1.287 1.00 71.44 C ATOM 899 CD GLU A 54 -7.025 14.517 -1.707 1.00 4.23 C ATOM 900 OE1 GLU A 54 -6.932 15.522 -0.971 1.00 74.01 O ATOM 901 OE2 GLU A 54 -7.660 14.528 -2.782 1.00 74.13 O ATOM 0 H GLU A 54 -2.443 13.516 -0.601 1.00 33.34 H new ATOM 0 HA GLU A 54 -4.259 11.402 -1.155 1.00 44.42 H new ATOM 0 HB2 GLU A 54 -4.764 13.471 0.140 1.00 70.43 H new ATOM 0 HB3 GLU A 54 -4.563 14.425 -1.315 1.00 70.43 H new ATOM 0 HG2 GLU A 54 -6.417 12.503 -2.091 1.00 71.44 H new ATOM 0 HG3 GLU A 54 -6.853 12.816 -0.423 1.00 71.44 H new ATOM 908 N ASP A 55 -3.235 13.305 -3.639 1.00 4.51 N ATOM 909 CA ASP A 55 -3.143 13.403 -5.093 1.00 35.33 C ATOM 910 C ASP A 55 -2.689 12.080 -5.688 1.00 21.01 C ATOM 911 O ASP A 55 -3.211 11.639 -6.712 1.00 42.42 O ATOM 912 CB ASP A 55 -2.177 14.514 -5.502 1.00 52.30 C ATOM 913 CG ASP A 55 -1.901 14.520 -6.994 1.00 53.21 C ATOM 914 OD1 ASP A 55 -2.787 14.927 -7.769 1.00 15.11 O ATOM 915 OD2 ASP A 55 -0.793 14.114 -7.402 1.00 15.24 O ATOM 0 H ASP A 55 -2.664 13.985 -3.137 1.00 4.51 H new ATOM 0 HA ASP A 55 -4.134 13.643 -5.477 1.00 35.33 H new ATOM 0 HB2 ASP A 55 -2.591 15.478 -5.208 1.00 52.30 H new ATOM 0 HB3 ASP A 55 -1.238 14.392 -4.962 1.00 52.30 H new ATOM 920 N PHE A 56 -1.725 11.444 -5.029 1.00 13.21 N ATOM 921 CA PHE A 56 -1.245 10.140 -5.460 1.00 11.34 C ATOM 922 C PHE A 56 -2.390 9.133 -5.451 1.00 52.44 C ATOM 923 O PHE A 56 -2.640 8.463 -6.450 1.00 41.13 O ATOM 924 CB PHE A 56 -0.109 9.655 -4.550 1.00 75.32 C ATOM 925 CG PHE A 56 0.446 8.311 -4.943 1.00 73.22 C ATOM 926 CD1 PHE A 56 1.497 8.218 -5.839 1.00 22.03 C ATOM 927 CD2 PHE A 56 -0.085 7.143 -4.414 1.00 4.42 C ATOM 928 CE1 PHE A 56 2.008 6.987 -6.202 1.00 3.33 C ATOM 929 CE2 PHE A 56 0.424 5.911 -4.774 1.00 2.35 C ATOM 930 CZ PHE A 56 1.471 5.832 -5.670 1.00 64.31 C ATOM 0 H PHE A 56 -1.263 11.811 -4.197 1.00 13.21 H new ATOM 0 HA PHE A 56 -0.859 10.231 -6.475 1.00 11.34 H new ATOM 0 HB2 PHE A 56 0.696 10.390 -4.565 1.00 75.32 H new ATOM 0 HB3 PHE A 56 -0.474 9.602 -3.524 1.00 75.32 H new ATOM 0 HD1 PHE A 56 1.922 9.118 -6.259 1.00 22.03 H new ATOM 0 HD2 PHE A 56 -0.905 7.198 -3.713 1.00 4.42 H new ATOM 0 HE1 PHE A 56 2.828 6.928 -6.902 1.00 3.33 H new ATOM 0 HE2 PHE A 56 0.003 5.009 -4.355 1.00 2.35 H new ATOM 0 HZ PHE A 56 1.869 4.869 -5.954 1.00 64.31 H new ATOM 940 N LEU A 57 -3.095 9.052 -4.325 1.00 24.03 N ATOM 941 CA LEU A 57 -4.224 8.141 -4.181 1.00 44.32 C ATOM 942 C LEU A 57 -5.283 8.397 -5.243 1.00 63.33 C ATOM 943 O LEU A 57 -5.699 7.477 -5.942 1.00 61.13 O ATOM 944 CB LEU A 57 -4.847 8.292 -2.795 1.00 33.21 C ATOM 945 CG LEU A 57 -4.276 7.385 -1.705 1.00 5.23 C ATOM 946 CD1 LEU A 57 -4.675 5.938 -1.946 1.00 74.15 C ATOM 947 CD2 LEU A 57 -2.766 7.508 -1.629 1.00 22.11 C ATOM 0 H LEU A 57 -2.901 9.611 -3.494 1.00 24.03 H new ATOM 0 HA LEU A 57 -3.849 7.125 -4.307 1.00 44.32 H new ATOM 0 HB2 LEU A 57 -4.731 9.328 -2.476 1.00 33.21 H new ATOM 0 HB3 LEU A 57 -5.917 8.101 -2.876 1.00 33.21 H new ATOM 0 HG LEU A 57 -4.693 7.707 -0.751 1.00 5.23 H new ATOM 0 HD11 LEU A 57 -4.258 5.310 -1.159 1.00 74.15 H new ATOM 0 HD12 LEU A 57 -5.762 5.854 -1.940 1.00 74.15 H new ATOM 0 HD13 LEU A 57 -4.291 5.611 -2.912 1.00 74.15 H new ATOM 0 HD21 LEU A 57 -2.387 6.852 -0.845 1.00 22.11 H new ATOM 0 HD22 LEU A 57 -2.329 7.221 -2.586 1.00 22.11 H new ATOM 0 HD23 LEU A 57 -2.496 8.539 -1.401 1.00 22.11 H new ATOM 959 N ARG A 58 -5.694 9.653 -5.367 1.00 55.53 N ATOM 960 CA ARG A 58 -6.753 10.027 -6.297 1.00 3.31 C ATOM 961 C ARG A 58 -6.381 9.658 -7.734 1.00 40.21 C ATOM 962 O ARG A 58 -7.154 9.002 -8.433 1.00 74.23 O ATOM 963 CB ARG A 58 -7.054 11.533 -6.172 1.00 62.34 C ATOM 964 CG ARG A 58 -8.156 12.043 -7.097 1.00 35.11 C ATOM 965 CD ARG A 58 -7.610 12.433 -8.461 1.00 12.52 C ATOM 966 NE ARG A 58 -8.663 12.841 -9.385 1.00 13.31 N ATOM 967 CZ ARG A 58 -8.455 13.634 -10.435 1.00 43.33 C ATOM 968 NH1 ARG A 58 -7.249 14.139 -10.657 1.00 12.23 N ATOM 969 NH2 ARG A 58 -9.452 13.931 -11.255 1.00 64.52 N ATOM 0 H ARG A 58 -5.309 10.432 -4.833 1.00 55.53 H new ATOM 0 HA ARG A 58 -7.654 9.469 -6.040 1.00 3.31 H new ATOM 0 HB2 ARG A 58 -7.335 11.749 -5.141 1.00 62.34 H new ATOM 0 HB3 ARG A 58 -6.140 12.090 -6.377 1.00 62.34 H new ATOM 0 HG2 ARG A 58 -8.917 11.271 -7.217 1.00 35.11 H new ATOM 0 HG3 ARG A 58 -8.644 12.904 -6.641 1.00 35.11 H new ATOM 0 HD2 ARG A 58 -6.897 13.249 -8.344 1.00 12.52 H new ATOM 0 HD3 ARG A 58 -7.064 11.590 -8.885 1.00 12.52 H new ATOM 0 HE ARG A 58 -9.610 12.501 -9.218 1.00 13.31 H new ATOM 0 HH11 ARG A 58 -6.480 13.920 -10.024 1.00 12.23 H new ATOM 0 HH12 ARG A 58 -7.090 14.746 -11.461 1.00 12.23 H new ATOM 0 HH21 ARG A 58 -10.383 13.552 -11.084 1.00 64.52 H new ATOM 0 HH22 ARG A 58 -9.288 14.539 -12.058 1.00 64.52 H new ATOM 983 N ASP A 59 -5.189 10.058 -8.157 1.00 40.22 N ATOM 984 CA ASP A 59 -4.751 9.836 -9.533 1.00 43.22 C ATOM 985 C ASP A 59 -4.522 8.351 -9.803 1.00 24.33 C ATOM 986 O ASP A 59 -4.905 7.831 -10.856 1.00 13.33 O ATOM 987 CB ASP A 59 -3.469 10.622 -9.811 1.00 12.13 C ATOM 988 CG ASP A 59 -3.033 10.529 -11.259 1.00 61.22 C ATOM 989 OD1 ASP A 59 -3.545 11.309 -12.091 1.00 2.34 O ATOM 990 OD2 ASP A 59 -2.177 9.676 -11.575 1.00 33.35 O ATOM 0 H ASP A 59 -4.507 10.538 -7.569 1.00 40.22 H new ATOM 0 HA ASP A 59 -5.538 10.187 -10.200 1.00 43.22 H new ATOM 0 HB2 ASP A 59 -3.624 11.668 -9.548 1.00 12.13 H new ATOM 0 HB3 ASP A 59 -2.671 10.247 -9.170 1.00 12.13 H new ATOM 995 N TYR A 60 -3.927 7.666 -8.835 1.00 51.01 N ATOM 996 CA TYR A 60 -3.599 6.252 -8.982 1.00 74.53 C ATOM 997 C TYR A 60 -4.868 5.408 -8.968 1.00 33.24 C ATOM 998 O TYR A 60 -4.956 4.389 -9.651 1.00 70.32 O ATOM 999 CB TYR A 60 -2.655 5.810 -7.861 1.00 0.44 C ATOM 1000 CG TYR A 60 -1.847 4.576 -8.193 1.00 42.22 C ATOM 1001 CD1 TYR A 60 -1.018 4.546 -9.310 1.00 54.45 C ATOM 1002 CD2 TYR A 60 -1.905 3.446 -7.390 1.00 41.31 C ATOM 1003 CE1 TYR A 60 -0.274 3.424 -9.615 1.00 53.04 C ATOM 1004 CE2 TYR A 60 -1.160 2.321 -7.687 1.00 54.24 C ATOM 1005 CZ TYR A 60 -0.345 2.316 -8.799 1.00 61.44 C ATOM 1006 OH TYR A 60 0.401 1.199 -9.098 1.00 41.12 O ATOM 0 H TYR A 60 -3.660 8.068 -7.936 1.00 51.01 H new ATOM 0 HA TYR A 60 -3.098 6.108 -9.939 1.00 74.53 H new ATOM 0 HB2 TYR A 60 -1.973 6.628 -7.630 1.00 0.44 H new ATOM 0 HB3 TYR A 60 -3.240 5.619 -6.961 1.00 0.44 H new ATOM 0 HD1 TYR A 60 -0.956 5.415 -9.949 1.00 54.45 H new ATOM 0 HD2 TYR A 60 -2.543 3.446 -6.519 1.00 41.31 H new ATOM 0 HE1 TYR A 60 0.361 3.415 -10.489 1.00 53.04 H new ATOM 0 HE2 TYR A 60 -1.216 1.450 -7.051 1.00 54.24 H new ATOM 0 HH TYR A 60 0.238 0.507 -8.424 1.00 41.12 H new ATOM 1016 N LEU A 61 -5.849 5.847 -8.186 1.00 70.43 N ATOM 1017 CA LEU A 61 -7.148 5.187 -8.128 1.00 3.51 C ATOM 1018 C LEU A 61 -7.839 5.256 -9.479 1.00 5.44 C ATOM 1019 O LEU A 61 -8.299 4.243 -9.998 1.00 5.11 O ATOM 1020 CB LEU A 61 -8.026 5.840 -7.061 1.00 63.03 C ATOM 1021 CG LEU A 61 -9.470 5.336 -6.997 1.00 20.03 C ATOM 1022 CD1 LEU A 61 -9.512 3.864 -6.614 1.00 35.02 C ATOM 1023 CD2 LEU A 61 -10.283 6.168 -6.016 1.00 53.14 C ATOM 0 H LEU A 61 -5.767 6.663 -7.580 1.00 70.43 H new ATOM 0 HA LEU A 61 -6.991 4.140 -7.867 1.00 3.51 H new ATOM 0 HB2 LEU A 61 -7.561 5.684 -6.087 1.00 63.03 H new ATOM 0 HB3 LEU A 61 -8.042 6.916 -7.237 1.00 63.03 H new ATOM 0 HG LEU A 61 -9.912 5.442 -7.988 1.00 20.03 H new ATOM 0 HD11 LEU A 61 -10.548 3.528 -6.575 1.00 35.02 H new ATOM 0 HD12 LEU A 61 -8.969 3.279 -7.356 1.00 35.02 H new ATOM 0 HD13 LEU A 61 -9.049 3.729 -5.636 1.00 35.02 H new ATOM 0 HD21 LEU A 61 -11.307 5.795 -5.984 1.00 53.14 H new ATOM 0 HD22 LEU A 61 -9.839 6.096 -5.023 1.00 53.14 H new ATOM 0 HD23 LEU A 61 -10.286 7.209 -6.338 1.00 53.14 H new ATOM 1035 N ILE A 62 -7.904 6.455 -10.041 1.00 44.22 N ATOM 1036 CA ILE A 62 -8.508 6.655 -11.358 1.00 30.25 C ATOM 1037 C ILE A 62 -7.804 5.795 -12.407 1.00 44.40 C ATOM 1038 O ILE A 62 -8.451 5.113 -13.206 1.00 21.23 O ATOM 1039 CB ILE A 62 -8.455 8.143 -11.781 1.00 34.23 C ATOM 1040 CG1 ILE A 62 -9.260 9.009 -10.805 1.00 21.14 C ATOM 1041 CG2 ILE A 62 -8.973 8.326 -13.199 1.00 42.01 C ATOM 1042 CD1 ILE A 62 -10.729 8.638 -10.722 1.00 52.43 C ATOM 0 H ILE A 62 -7.547 7.307 -9.608 1.00 44.22 H new ATOM 0 HA ILE A 62 -9.553 6.354 -11.290 1.00 30.25 H new ATOM 0 HB ILE A 62 -7.413 8.463 -11.755 1.00 34.23 H new ATOM 0 HG12 ILE A 62 -8.818 8.927 -9.812 1.00 21.14 H new ATOM 0 HG13 ILE A 62 -9.175 10.053 -11.106 1.00 21.14 H new ATOM 0 HG21 ILE A 62 -8.925 9.380 -13.471 1.00 42.01 H new ATOM 0 HG22 ILE A 62 -8.360 7.745 -13.888 1.00 42.01 H new ATOM 0 HG23 ILE A 62 -10.006 7.984 -13.256 1.00 42.01 H new ATOM 0 HD11 ILE A 62 -11.231 9.295 -10.012 1.00 52.43 H new ATOM 0 HD12 ILE A 62 -11.188 8.748 -11.704 1.00 52.43 H new ATOM 0 HD13 ILE A 62 -10.825 7.604 -10.390 1.00 52.43 H new ATOM 1054 N TYR A 63 -6.477 5.818 -12.376 1.00 24.42 N ATOM 1055 CA TYR A 63 -5.661 5.012 -13.280 1.00 74.34 C ATOM 1056 C TYR A 63 -5.982 3.530 -13.117 1.00 61.12 C ATOM 1057 O TYR A 63 -6.092 2.787 -14.094 1.00 44.24 O ATOM 1058 CB TYR A 63 -4.178 5.257 -12.985 1.00 4.35 C ATOM 1059 CG TYR A 63 -3.221 4.625 -13.974 1.00 44.43 C ATOM 1060 CD1 TYR A 63 -2.956 5.235 -15.192 1.00 1.44 C ATOM 1061 CD2 TYR A 63 -2.568 3.433 -13.680 1.00 14.14 C ATOM 1062 CE1 TYR A 63 -2.070 4.678 -16.090 1.00 53.15 C ATOM 1063 CE2 TYR A 63 -1.683 2.866 -14.576 1.00 41.04 C ATOM 1064 CZ TYR A 63 -1.435 3.494 -15.780 1.00 13.31 C ATOM 1065 OH TYR A 63 -0.549 2.939 -16.673 1.00 43.50 O ATOM 0 H TYR A 63 -5.937 6.392 -11.728 1.00 24.42 H new ATOM 0 HA TYR A 63 -5.883 5.303 -14.307 1.00 74.34 H new ATOM 0 HB2 TYR A 63 -3.999 6.332 -12.964 1.00 4.35 H new ATOM 0 HB3 TYR A 63 -3.952 4.877 -11.989 1.00 4.35 H new ATOM 0 HD1 TYR A 63 -3.452 6.162 -15.441 1.00 1.44 H new ATOM 0 HD2 TYR A 63 -2.756 2.943 -12.736 1.00 14.14 H new ATOM 0 HE1 TYR A 63 -1.874 5.167 -17.033 1.00 53.15 H new ATOM 0 HE2 TYR A 63 -1.188 1.937 -14.336 1.00 41.04 H new ATOM 0 HH TYR A 63 -0.188 2.107 -16.302 1.00 43.50 H new ATOM 1075 N MET A 64 -6.138 3.112 -11.871 1.00 42.12 N ATOM 1076 CA MET A 64 -6.429 1.725 -11.551 1.00 32.52 C ATOM 1077 C MET A 64 -7.842 1.352 -11.981 1.00 15.32 C ATOM 1078 O MET A 64 -8.085 0.266 -12.503 1.00 42.14 O ATOM 1079 CB MET A 64 -6.270 1.496 -10.050 1.00 65.55 C ATOM 1080 CG MET A 64 -6.414 0.046 -9.646 1.00 14.03 C ATOM 1081 SD MET A 64 -5.854 -0.270 -7.960 1.00 65.44 S ATOM 1082 CE MET A 64 -4.385 0.751 -7.885 1.00 30.22 C ATOM 0 H MET A 64 -6.067 3.722 -11.057 1.00 42.12 H new ATOM 0 HA MET A 64 -5.726 1.093 -12.093 1.00 32.52 H new ATOM 0 HB2 MET A 64 -5.291 1.857 -9.736 1.00 65.55 H new ATOM 0 HB3 MET A 64 -7.014 2.089 -9.518 1.00 65.55 H new ATOM 0 HG2 MET A 64 -7.459 -0.250 -9.738 1.00 14.03 H new ATOM 0 HG3 MET A 64 -5.844 -0.577 -10.336 1.00 14.03 H new ATOM 0 HE1 MET A 64 -3.778 0.453 -7.030 1.00 30.22 H new ATOM 0 HE2 MET A 64 -3.808 0.626 -8.801 1.00 30.22 H new ATOM 0 HE3 MET A 64 -4.674 1.797 -7.778 1.00 30.22 H new ATOM 1092 N LYS A 65 -8.761 2.260 -11.737 1.00 63.52 N ATOM 1093 CA LYS A 65 -10.163 2.071 -12.079 1.00 20.50 C ATOM 1094 C LYS A 65 -10.344 1.942 -13.595 1.00 21.40 C ATOM 1095 O LYS A 65 -11.055 1.053 -14.069 1.00 72.44 O ATOM 1096 CB LYS A 65 -10.984 3.248 -11.535 1.00 3.32 C ATOM 1097 CG LYS A 65 -12.395 2.880 -11.090 1.00 51.31 C ATOM 1098 CD LYS A 65 -13.275 2.476 -12.259 1.00 20.33 C ATOM 1099 CE LYS A 65 -14.669 2.100 -11.795 1.00 35.32 C ATOM 1100 NZ LYS A 65 -15.557 1.742 -12.931 1.00 73.42 N ATOM 0 H LYS A 65 -8.561 3.157 -11.294 1.00 63.52 H new ATOM 0 HA LYS A 65 -10.516 1.146 -11.624 1.00 20.50 H new ATOM 0 HB2 LYS A 65 -10.452 3.686 -10.690 1.00 3.32 H new ATOM 0 HB3 LYS A 65 -11.048 4.017 -12.305 1.00 3.32 H new ATOM 0 HG2 LYS A 65 -12.346 2.060 -10.373 1.00 51.31 H new ATOM 0 HG3 LYS A 65 -12.845 3.728 -10.574 1.00 51.31 H new ATOM 0 HD2 LYS A 65 -13.336 3.298 -12.972 1.00 20.33 H new ATOM 0 HD3 LYS A 65 -12.824 1.633 -12.782 1.00 20.33 H new ATOM 0 HE2 LYS A 65 -14.607 1.259 -11.105 1.00 35.32 H new ATOM 0 HE3 LYS A 65 -15.104 2.933 -11.243 1.00 35.32 H new ATOM 0 HZ1 LYS A 65 -16.499 1.492 -12.569 1.00 73.42 H new ATOM 0 HZ2 LYS A 65 -15.638 2.553 -13.577 1.00 73.42 H new ATOM 0 HZ3 LYS A 65 -15.156 0.930 -13.443 1.00 73.42 H new ATOM 1114 N LYS A 66 -9.692 2.821 -14.350 1.00 32.53 N ATOM 1115 CA LYS A 66 -9.827 2.824 -15.802 1.00 54.43 C ATOM 1116 C LYS A 66 -8.946 1.763 -16.458 1.00 52.41 C ATOM 1117 O LYS A 66 -9.441 0.812 -17.066 1.00 73.34 O ATOM 1118 CB LYS A 66 -9.449 4.195 -16.372 1.00 2.34 C ATOM 1119 CG LYS A 66 -10.341 5.342 -15.927 1.00 61.45 C ATOM 1120 CD LYS A 66 -11.798 5.107 -16.296 1.00 51.21 C ATOM 1121 CE LYS A 66 -12.596 6.403 -16.254 1.00 63.41 C ATOM 1122 NZ LYS A 66 -12.307 7.199 -15.032 1.00 23.54 N ATOM 0 H LYS A 66 -9.067 3.538 -13.982 1.00 32.53 H new ATOM 0 HA LYS A 66 -10.870 2.599 -16.023 1.00 54.43 H new ATOM 0 HB2 LYS A 66 -8.422 4.421 -16.085 1.00 2.34 H new ATOM 0 HB3 LYS A 66 -9.471 4.138 -17.460 1.00 2.34 H new ATOM 0 HG2 LYS A 66 -10.256 5.469 -14.848 1.00 61.45 H new ATOM 0 HG3 LYS A 66 -9.996 6.269 -16.385 1.00 61.45 H new ATOM 0 HD2 LYS A 66 -11.857 4.673 -17.294 1.00 51.21 H new ATOM 0 HD3 LYS A 66 -12.237 4.385 -15.608 1.00 51.21 H new ATOM 0 HE2 LYS A 66 -12.365 6.999 -17.137 1.00 63.41 H new ATOM 0 HE3 LYS A 66 -13.661 6.174 -16.293 1.00 63.41 H new ATOM 0 HZ1 LYS A 66 -13.018 7.951 -14.931 1.00 23.54 H new ATOM 0 HZ2 LYS A 66 -12.338 6.578 -14.198 1.00 23.54 H new ATOM 0 HZ3 LYS A 66 -11.362 7.625 -15.111 1.00 23.54 H new ATOM 1136 N THR A 67 -7.639 1.923 -16.315 1.00 43.52 N ATOM 1137 CA THR A 67 -6.680 1.104 -17.037 1.00 3.33 C ATOM 1138 C THR A 67 -6.591 -0.308 -16.463 1.00 34.43 C ATOM 1139 O THR A 67 -6.573 -1.292 -17.206 1.00 32.10 O ATOM 1140 CB THR A 67 -5.287 1.766 -17.019 1.00 40.44 C ATOM 1141 OG1 THR A 67 -5.393 3.116 -17.494 1.00 0.14 O ATOM 1142 CG2 THR A 67 -4.301 0.996 -17.887 1.00 34.24 C ATOM 0 H THR A 67 -7.217 2.619 -15.700 1.00 43.52 H new ATOM 0 HA THR A 67 -7.031 1.025 -18.066 1.00 3.33 H new ATOM 0 HB THR A 67 -4.917 1.759 -15.994 1.00 40.44 H new ATOM 0 HG1 THR A 67 -4.508 3.538 -17.481 1.00 0.14 H new ATOM 0 HG21 THR A 67 -3.328 1.486 -17.855 1.00 34.24 H new ATOM 0 HG22 THR A 67 -4.206 -0.024 -17.513 1.00 34.24 H new ATOM 0 HG23 THR A 67 -4.662 0.973 -18.915 1.00 34.24 H new ATOM 1150 N LEU A 68 -6.551 -0.408 -15.142 1.00 71.24 N ATOM 1151 CA LEU A 68 -6.421 -1.702 -14.490 1.00 3.22 C ATOM 1152 C LEU A 68 -7.791 -2.340 -14.278 1.00 15.25 C ATOM 1153 O LEU A 68 -7.884 -3.510 -13.916 1.00 51.44 O ATOM 1154 CB LEU A 68 -5.673 -1.560 -13.163 1.00 75.31 C ATOM 1155 CG LEU A 68 -4.268 -0.961 -13.278 1.00 15.41 C ATOM 1156 CD1 LEU A 68 -3.631 -0.818 -11.906 1.00 15.12 C ATOM 1157 CD2 LEU A 68 -3.391 -1.814 -14.185 1.00 13.14 C ATOM 0 H LEU A 68 -6.606 0.386 -14.505 1.00 71.24 H new ATOM 0 HA LEU A 68 -5.842 -2.358 -15.139 1.00 3.22 H new ATOM 0 HB2 LEU A 68 -6.265 -0.936 -12.493 1.00 75.31 H new ATOM 0 HB3 LEU A 68 -5.597 -2.543 -12.698 1.00 75.31 H new ATOM 0 HG LEU A 68 -4.358 0.031 -13.721 1.00 15.41 H new ATOM 0 HD11 LEU A 68 -2.634 -0.391 -12.011 1.00 15.12 H new ATOM 0 HD12 LEU A 68 -4.244 -0.162 -11.287 1.00 15.12 H new ATOM 0 HD13 LEU A 68 -3.558 -1.798 -11.435 1.00 15.12 H new ATOM 0 HD21 LEU A 68 -2.398 -1.370 -14.253 1.00 13.14 H new ATOM 0 HD22 LEU A 68 -3.312 -2.820 -13.773 1.00 13.14 H new ATOM 0 HD23 LEU A 68 -3.835 -1.863 -15.179 1.00 13.14 H new ATOM 1169 N CYS A 69 -8.844 -1.547 -14.493 1.00 11.12 N ATOM 1170 CA CYS A 69 -10.225 -2.038 -14.480 1.00 1.25 C ATOM 1171 C CYS A 69 -10.668 -2.510 -13.091 1.00 11.13 C ATOM 1172 O CYS A 69 -11.572 -3.337 -12.973 1.00 51.03 O ATOM 1173 CB CYS A 69 -10.388 -3.173 -15.497 1.00 33.45 C ATOM 1174 SG CYS A 69 -9.953 -2.704 -17.188 1.00 65.22 S ATOM 0 H CYS A 69 -8.764 -0.548 -14.681 1.00 11.12 H new ATOM 0 HA CYS A 69 -10.867 -1.201 -14.755 1.00 1.25 H new ATOM 0 HB2 CYS A 69 -9.766 -4.014 -15.192 1.00 33.45 H new ATOM 0 HB3 CYS A 69 -11.422 -3.518 -15.480 1.00 33.45 H new ATOM 0 HG CYS A 69 -9.726 -1.425 -17.239 1.00 65.22 H new ATOM 1180 N ASN A 70 -10.067 -1.957 -12.045 1.00 73.40 N ATOM 1181 CA ASN A 70 -10.425 -2.340 -10.680 1.00 51.12 C ATOM 1182 C ASN A 70 -11.408 -1.342 -10.084 1.00 33.23 C ATOM 1183 O ASN A 70 -11.420 -0.174 -10.464 1.00 5.22 O ATOM 1184 CB ASN A 70 -9.184 -2.435 -9.786 1.00 23.41 C ATOM 1185 CG ASN A 70 -8.352 -3.672 -10.063 1.00 24.11 C ATOM 1186 OD1 ASN A 70 -8.534 -4.712 -9.436 1.00 24.31 O ATOM 1187 ND2 ASN A 70 -7.433 -3.570 -11.005 1.00 4.14 N ATOM 0 H ASN A 70 -9.336 -1.249 -12.111 1.00 73.40 H new ATOM 0 HA ASN A 70 -10.895 -3.322 -10.728 1.00 51.12 H new ATOM 0 HB2 ASN A 70 -8.568 -1.548 -9.933 1.00 23.41 H new ATOM 0 HB3 ASN A 70 -9.494 -2.438 -8.741 1.00 23.41 H new ATOM 0 HD21 ASN A 70 -6.845 -4.372 -11.233 1.00 4.14 H new ATOM 0 HD22 ASN A 70 -7.311 -2.689 -11.505 1.00 4.14 H new ATOM 1194 N ALA A 71 -12.233 -1.809 -9.155 1.00 31.13 N ATOM 1195 CA ALA A 71 -13.199 -0.948 -8.485 1.00 54.11 C ATOM 1196 C ALA A 71 -12.619 -0.419 -7.180 1.00 51.11 C ATOM 1197 O ALA A 71 -11.472 -0.714 -6.848 1.00 63.03 O ATOM 1198 CB ALA A 71 -14.494 -1.703 -8.230 1.00 61.01 C ATOM 0 H ALA A 71 -12.252 -2.782 -8.848 1.00 31.13 H new ATOM 0 HA ALA A 71 -13.419 -0.099 -9.133 1.00 54.11 H new ATOM 0 HB1 ALA A 71 -15.205 -1.046 -7.729 1.00 61.01 H new ATOM 0 HB2 ALA A 71 -14.914 -2.036 -9.179 1.00 61.01 H new ATOM 0 HB3 ALA A 71 -14.292 -2.568 -7.599 1.00 61.01 H new ATOM 1204 N ASP A 72 -13.416 0.347 -6.438 1.00 5.55 N ATOM 1205 CA ASP A 72 -12.962 0.973 -5.192 1.00 65.02 C ATOM 1206 C ASP A 72 -12.413 -0.058 -4.214 1.00 24.32 C ATOM 1207 O ASP A 72 -11.259 0.028 -3.792 1.00 4.52 O ATOM 1208 CB ASP A 72 -14.100 1.747 -4.522 1.00 2.32 C ATOM 1209 CG ASP A 72 -14.649 2.854 -5.396 1.00 12.44 C ATOM 1210 OD1 ASP A 72 -15.459 2.553 -6.298 1.00 65.34 O ATOM 1211 OD2 ASP A 72 -14.272 4.028 -5.189 1.00 33.44 O ATOM 0 H ASP A 72 -14.386 0.552 -6.678 1.00 5.55 H new ATOM 0 HA ASP A 72 -12.162 1.664 -5.458 1.00 65.02 H new ATOM 0 HB2 ASP A 72 -14.905 1.056 -4.270 1.00 2.32 H new ATOM 0 HB3 ASP A 72 -13.741 2.174 -3.585 1.00 2.32 H new ATOM 1216 N SER A 73 -13.238 -1.036 -3.861 1.00 13.31 N ATOM 1217 CA SER A 73 -12.844 -2.051 -2.894 1.00 21.53 C ATOM 1218 C SER A 73 -11.676 -2.885 -3.411 1.00 31.34 C ATOM 1219 O SER A 73 -10.791 -3.270 -2.646 1.00 43.23 O ATOM 1220 CB SER A 73 -14.033 -2.948 -2.558 1.00 53.04 C ATOM 1221 OG SER A 73 -15.089 -2.193 -1.982 1.00 44.35 O ATOM 0 H SER A 73 -14.183 -1.147 -4.230 1.00 13.31 H new ATOM 0 HA SER A 73 -12.515 -1.544 -1.987 1.00 21.53 H new ATOM 0 HB2 SER A 73 -14.386 -3.445 -3.462 1.00 53.04 H new ATOM 0 HB3 SER A 73 -13.720 -3.730 -1.866 1.00 53.04 H new ATOM 0 HG SER A 73 -15.841 -2.787 -1.776 1.00 44.35 H new ATOM 1227 N THR A 74 -11.667 -3.142 -4.713 1.00 32.24 N ATOM 1228 CA THR A 74 -10.617 -3.933 -5.326 1.00 4.52 C ATOM 1229 C THR A 74 -9.299 -3.162 -5.314 1.00 64.43 C ATOM 1230 O THR A 74 -8.233 -3.726 -5.058 1.00 52.34 O ATOM 1231 CB THR A 74 -10.983 -4.296 -6.776 1.00 42.14 C ATOM 1232 OG1 THR A 74 -12.409 -4.248 -6.943 1.00 41.35 O ATOM 1233 CG2 THR A 74 -10.484 -5.690 -7.125 1.00 42.53 C ATOM 0 H THR A 74 -12.379 -2.811 -5.364 1.00 32.24 H new ATOM 0 HA THR A 74 -10.506 -4.851 -4.749 1.00 4.52 H new ATOM 0 HB THR A 74 -10.507 -3.575 -7.441 1.00 42.14 H new ATOM 0 HG1 THR A 74 -12.638 -4.478 -7.868 1.00 41.35 H new ATOM 0 HG21 THR A 74 -10.754 -5.926 -8.154 1.00 42.53 H new ATOM 0 HG22 THR A 74 -9.400 -5.726 -7.016 1.00 42.53 H new ATOM 0 HG23 THR A 74 -10.940 -6.418 -6.454 1.00 42.53 H new ATOM 1241 N ALA A 75 -9.387 -1.862 -5.575 1.00 41.54 N ATOM 1242 CA ALA A 75 -8.225 -0.988 -5.541 1.00 10.43 C ATOM 1243 C ALA A 75 -7.672 -0.888 -4.130 1.00 74.02 C ATOM 1244 O ALA A 75 -6.465 -0.942 -3.927 1.00 43.12 O ATOM 1245 CB ALA A 75 -8.587 0.393 -6.066 1.00 25.44 C ATOM 0 H ALA A 75 -10.259 -1.390 -5.814 1.00 41.54 H new ATOM 0 HA ALA A 75 -7.454 -1.415 -6.183 1.00 10.43 H new ATOM 0 HB1 ALA A 75 -7.708 1.036 -6.035 1.00 25.44 H new ATOM 0 HB2 ALA A 75 -8.940 0.310 -7.094 1.00 25.44 H new ATOM 0 HB3 ALA A 75 -9.374 0.823 -5.446 1.00 25.44 H new ATOM 1251 N GLN A 76 -8.568 -0.751 -3.159 1.00 53.14 N ATOM 1252 CA GLN A 76 -8.188 -0.681 -1.761 1.00 75.45 C ATOM 1253 C GLN A 76 -7.422 -1.930 -1.337 1.00 64.24 C ATOM 1254 O GLN A 76 -6.500 -1.850 -0.527 1.00 24.43 O ATOM 1255 CB GLN A 76 -9.437 -0.510 -0.901 1.00 11.40 C ATOM 1256 CG GLN A 76 -10.048 0.884 -0.953 1.00 15.34 C ATOM 1257 CD GLN A 76 -9.145 1.942 -0.347 1.00 13.24 C ATOM 1258 OE1 GLN A 76 -8.325 2.569 -1.174 1.00 1.43 O flip ATOM 1259 NE2 GLN A 76 -9.195 2.203 0.855 1.00 2.20 N flip ATOM 0 H GLN A 76 -9.573 -0.686 -3.322 1.00 53.14 H new ATOM 0 HA GLN A 76 -7.531 0.177 -1.622 1.00 75.45 H new ATOM 0 HB2 GLN A 76 -10.186 -1.234 -1.221 1.00 11.40 H new ATOM 0 HB3 GLN A 76 -9.187 -0.746 0.133 1.00 11.40 H new ATOM 0 HG2 GLN A 76 -10.261 1.144 -1.990 1.00 15.34 H new ATOM 0 HG3 GLN A 76 -11.001 0.879 -0.424 1.00 15.34 H new ATOM 0 HE21 GLN A 76 -9.841 1.697 1.460 1.00 2.20 H new ATOM 0 HE22 GLN A 76 -8.590 2.926 1.246 1.00 2.20 H new ATOM 1268 N ARG A 77 -7.801 -3.075 -1.894 1.00 0.24 N ATOM 1269 CA ARG A 77 -7.115 -4.333 -1.613 1.00 40.31 C ATOM 1270 C ARG A 77 -5.667 -4.281 -2.091 1.00 62.33 C ATOM 1271 O ARG A 77 -4.753 -4.721 -1.394 1.00 40.14 O ATOM 1272 CB ARG A 77 -7.839 -5.500 -2.292 1.00 21.22 C ATOM 1273 CG ARG A 77 -9.183 -5.834 -1.673 1.00 4.31 C ATOM 1274 CD ARG A 77 -9.025 -6.241 -0.221 1.00 51.32 C ATOM 1275 NE ARG A 77 -10.291 -6.668 0.373 1.00 52.12 N ATOM 1276 CZ ARG A 77 -10.611 -6.500 1.658 1.00 13.05 C ATOM 1277 NH1 ARG A 77 -9.784 -5.866 2.481 1.00 14.43 N ATOM 1278 NH2 ARG A 77 -11.772 -6.956 2.116 1.00 40.21 N ATOM 0 H ARG A 77 -8.582 -3.159 -2.545 1.00 0.24 H new ATOM 0 HA ARG A 77 -7.123 -4.485 -0.534 1.00 40.31 H new ATOM 0 HB2 ARG A 77 -7.985 -5.261 -3.345 1.00 21.22 H new ATOM 0 HB3 ARG A 77 -7.202 -6.383 -2.251 1.00 21.22 H new ATOM 0 HG2 ARG A 77 -9.844 -4.970 -1.743 1.00 4.31 H new ATOM 0 HG3 ARG A 77 -9.654 -6.642 -2.232 1.00 4.31 H new ATOM 0 HD2 ARG A 77 -8.300 -7.052 -0.149 1.00 51.32 H new ATOM 0 HD3 ARG A 77 -8.623 -5.403 0.348 1.00 51.32 H new ATOM 0 HE ARG A 77 -10.973 -7.123 -0.233 1.00 52.12 H new ATOM 0 HH11 ARG A 77 -8.897 -5.503 2.133 1.00 14.43 H new ATOM 0 HH12 ARG A 77 -10.036 -5.742 3.462 1.00 14.43 H new ATOM 0 HH21 ARG A 77 -12.417 -7.433 1.486 1.00 40.21 H new ATOM 0 HH22 ARG A 77 -12.018 -6.829 3.098 1.00 40.21 H new ATOM 1292 N ASN A 78 -5.475 -3.739 -3.283 1.00 75.04 N ATOM 1293 CA ASN A 78 -4.158 -3.608 -3.875 1.00 4.44 C ATOM 1294 C ASN A 78 -3.358 -2.506 -3.180 1.00 33.43 C ATOM 1295 O ASN A 78 -2.170 -2.662 -2.898 1.00 35.32 O ATOM 1296 CB ASN A 78 -4.320 -3.292 -5.359 1.00 51.31 C ATOM 1297 CG ASN A 78 -3.007 -3.235 -6.101 1.00 33.43 C ATOM 1298 OD1 ASN A 78 -2.056 -3.946 -5.783 1.00 64.00 O ATOM 1299 ND2 ASN A 78 -2.953 -2.384 -7.105 1.00 10.54 N ATOM 0 H ASN A 78 -6.230 -3.378 -3.866 1.00 75.04 H new ATOM 0 HA ASN A 78 -3.610 -4.542 -3.753 1.00 4.44 H new ATOM 0 HB2 ASN A 78 -4.957 -4.049 -5.818 1.00 51.31 H new ATOM 0 HB3 ASN A 78 -4.833 -2.336 -5.467 1.00 51.31 H new ATOM 0 HD21 ASN A 78 -2.097 -2.296 -7.653 1.00 10.54 H new ATOM 0 HD22 ASN A 78 -3.767 -1.813 -7.334 1.00 10.54 H new ATOM 1306 N LEU A 79 -4.037 -1.405 -2.888 1.00 32.22 N ATOM 1307 CA LEU A 79 -3.416 -0.237 -2.269 1.00 71.12 C ATOM 1308 C LEU A 79 -2.927 -0.529 -0.856 1.00 23.34 C ATOM 1309 O LEU A 79 -2.075 0.188 -0.334 1.00 12.05 O ATOM 1310 CB LEU A 79 -4.403 0.930 -2.235 1.00 42.53 C ATOM 1311 CG LEU A 79 -4.702 1.578 -3.589 1.00 14.41 C ATOM 1312 CD1 LEU A 79 -5.742 2.676 -3.437 1.00 71.30 C ATOM 1313 CD2 LEU A 79 -3.426 2.136 -4.206 1.00 71.45 C ATOM 0 H LEU A 79 -5.034 -1.294 -3.073 1.00 32.22 H new ATOM 0 HA LEU A 79 -2.550 0.026 -2.876 1.00 71.12 H new ATOM 0 HB2 LEU A 79 -5.341 0.578 -1.805 1.00 42.53 H new ATOM 0 HB3 LEU A 79 -4.012 1.695 -1.564 1.00 42.53 H new ATOM 0 HG LEU A 79 -5.103 0.814 -4.255 1.00 14.41 H new ATOM 0 HD11 LEU A 79 -5.942 3.125 -4.410 1.00 71.30 H new ATOM 0 HD12 LEU A 79 -6.663 2.252 -3.037 1.00 71.30 H new ATOM 0 HD13 LEU A 79 -5.368 3.439 -2.755 1.00 71.30 H new ATOM 0 HD21 LEU A 79 -3.657 2.593 -5.168 1.00 71.45 H new ATOM 0 HD22 LEU A 79 -2.998 2.886 -3.541 1.00 71.45 H new ATOM 0 HD23 LEU A 79 -2.708 1.328 -4.351 1.00 71.45 H new ATOM 1325 N SER A 80 -3.485 -1.564 -0.238 1.00 0.12 N ATOM 1326 CA SER A 80 -3.060 -2.000 1.094 1.00 14.23 C ATOM 1327 C SER A 80 -1.539 -2.177 1.186 1.00 5.13 C ATOM 1328 O SER A 80 -0.950 -1.942 2.240 1.00 11.34 O ATOM 1329 CB SER A 80 -3.756 -3.309 1.474 1.00 24.32 C ATOM 1330 OG SER A 80 -5.155 -3.125 1.591 1.00 62.41 O ATOM 0 H SER A 80 -4.238 -2.123 -0.639 1.00 0.12 H new ATOM 0 HA SER A 80 -3.347 -1.216 1.795 1.00 14.23 H new ATOM 0 HB2 SER A 80 -3.547 -4.068 0.720 1.00 24.32 H new ATOM 0 HB3 SER A 80 -3.354 -3.678 2.418 1.00 24.32 H new ATOM 0 HG SER A 80 -5.498 -2.700 0.778 1.00 62.41 H new ATOM 1336 N THR A 81 -0.909 -2.576 0.087 1.00 61.51 N ATOM 1337 CA THR A 81 0.537 -2.765 0.068 1.00 14.35 C ATOM 1338 C THR A 81 1.263 -1.444 0.316 1.00 70.43 C ATOM 1339 O THR A 81 2.168 -1.360 1.147 1.00 1.34 O ATOM 1340 CB THR A 81 1.002 -3.372 -1.273 1.00 62.10 C ATOM 1341 OG1 THR A 81 0.507 -2.590 -2.369 1.00 40.51 O ATOM 1342 CG2 THR A 81 0.525 -4.811 -1.414 1.00 73.53 C ATOM 0 H THR A 81 -1.374 -2.774 -0.799 1.00 61.51 H new ATOM 0 HA THR A 81 0.786 -3.460 0.870 1.00 14.35 H new ATOM 0 HB THR A 81 2.092 -3.364 -1.287 1.00 62.10 H new ATOM 0 HG1 THR A 81 -0.444 -2.783 -2.505 1.00 40.51 H new ATOM 0 HG21 THR A 81 0.866 -5.216 -2.367 1.00 73.53 H new ATOM 0 HG22 THR A 81 0.931 -5.410 -0.599 1.00 73.53 H new ATOM 0 HG23 THR A 81 -0.564 -4.839 -1.377 1.00 73.53 H new ATOM 1350 N ILE A 82 0.837 -0.411 -0.395 1.00 70.14 N ATOM 1351 CA ILE A 82 1.390 0.925 -0.231 1.00 23.34 C ATOM 1352 C ILE A 82 0.973 1.499 1.118 1.00 1.01 C ATOM 1353 O ILE A 82 1.744 2.191 1.783 1.00 5.43 O ATOM 1354 CB ILE A 82 0.912 1.857 -1.368 1.00 30.13 C ATOM 1355 CG1 ILE A 82 1.317 1.280 -2.727 1.00 63.33 C ATOM 1356 CG2 ILE A 82 1.475 3.261 -1.193 1.00 44.15 C ATOM 1357 CD1 ILE A 82 0.789 2.068 -3.908 1.00 3.53 C ATOM 0 H ILE A 82 0.102 -0.474 -1.099 1.00 70.14 H new ATOM 0 HA ILE A 82 2.477 0.856 -0.273 1.00 23.34 H new ATOM 0 HB ILE A 82 -0.175 1.924 -1.325 1.00 30.13 H new ATOM 0 HG12 ILE A 82 2.405 1.241 -2.785 1.00 63.33 H new ATOM 0 HG13 ILE A 82 0.957 0.253 -2.797 1.00 63.33 H new ATOM 0 HG21 ILE A 82 1.124 3.898 -2.005 1.00 44.15 H new ATOM 0 HG22 ILE A 82 1.140 3.671 -0.240 1.00 44.15 H new ATOM 0 HG23 ILE A 82 2.564 3.221 -1.208 1.00 44.15 H new ATOM 0 HD11 ILE A 82 1.117 1.598 -4.835 1.00 3.53 H new ATOM 0 HD12 ILE A 82 -0.300 2.085 -3.876 1.00 3.53 H new ATOM 0 HD13 ILE A 82 1.170 3.088 -3.864 1.00 3.53 H new ATOM 1369 N LYS A 83 -0.252 1.186 1.519 1.00 65.11 N ATOM 1370 CA LYS A 83 -0.771 1.603 2.813 1.00 31.24 C ATOM 1371 C LYS A 83 0.151 1.178 3.944 1.00 24.30 C ATOM 1372 O LYS A 83 0.415 1.962 4.844 1.00 74.11 O ATOM 1373 CB LYS A 83 -2.170 1.020 3.033 1.00 2.41 C ATOM 1374 CG LYS A 83 -2.655 1.114 4.470 1.00 31.01 C ATOM 1375 CD LYS A 83 -3.994 0.427 4.649 1.00 74.30 C ATOM 1376 CE LYS A 83 -4.400 0.354 6.111 1.00 52.22 C ATOM 1377 NZ LYS A 83 -5.722 -0.300 6.284 1.00 55.40 N ATOM 0 H LYS A 83 -0.909 0.640 0.961 1.00 65.11 H new ATOM 0 HA LYS A 83 -0.828 2.691 2.815 1.00 31.24 H new ATOM 0 HB2 LYS A 83 -2.876 1.541 2.386 1.00 2.41 H new ATOM 0 HB3 LYS A 83 -2.170 -0.026 2.727 1.00 2.41 H new ATOM 0 HG2 LYS A 83 -1.920 0.659 5.134 1.00 31.01 H new ATOM 0 HG3 LYS A 83 -2.741 2.162 4.759 1.00 31.01 H new ATOM 0 HD2 LYS A 83 -4.757 0.965 4.086 1.00 74.30 H new ATOM 0 HD3 LYS A 83 -3.944 -0.580 4.235 1.00 74.30 H new ATOM 0 HE2 LYS A 83 -3.645 -0.198 6.671 1.00 52.22 H new ATOM 0 HE3 LYS A 83 -4.435 1.360 6.529 1.00 52.22 H new ATOM 0 HZ1 LYS A 83 -5.964 -0.331 7.295 1.00 55.40 H new ATOM 0 HZ2 LYS A 83 -6.447 0.241 5.771 1.00 55.40 H new ATOM 0 HZ3 LYS A 83 -5.682 -1.269 5.908 1.00 55.40 H new ATOM 1391 N ILE A 84 0.648 -0.048 3.882 1.00 12.31 N ATOM 1392 CA ILE A 84 1.476 -0.597 4.953 1.00 13.54 C ATOM 1393 C ILE A 84 2.679 0.295 5.274 1.00 22.11 C ATOM 1394 O ILE A 84 2.885 0.658 6.434 1.00 1.42 O ATOM 1395 CB ILE A 84 1.974 -2.023 4.613 1.00 64.12 C ATOM 1396 CG1 ILE A 84 0.796 -2.998 4.497 1.00 22.05 C ATOM 1397 CG2 ILE A 84 2.966 -2.514 5.658 1.00 73.14 C ATOM 1398 CD1 ILE A 84 -0.019 -3.135 5.766 1.00 54.14 C ATOM 0 H ILE A 84 0.494 -0.685 3.101 1.00 12.31 H new ATOM 0 HA ILE A 84 0.836 -0.641 5.834 1.00 13.54 H new ATOM 0 HB ILE A 84 2.482 -1.980 3.650 1.00 64.12 H new ATOM 0 HG12 ILE A 84 0.141 -2.666 3.691 1.00 22.05 H new ATOM 0 HG13 ILE A 84 1.177 -3.979 4.214 1.00 22.05 H new ATOM 0 HG21 ILE A 84 3.302 -3.518 5.398 1.00 73.14 H new ATOM 0 HG22 ILE A 84 3.823 -1.842 5.690 1.00 73.14 H new ATOM 0 HG23 ILE A 84 2.484 -2.535 6.636 1.00 73.14 H new ATOM 0 HD11 ILE A 84 -0.832 -3.842 5.602 1.00 54.14 H new ATOM 0 HD12 ILE A 84 0.620 -3.498 6.571 1.00 54.14 H new ATOM 0 HD13 ILE A 84 -0.432 -2.164 6.040 1.00 54.14 H new ATOM 1410 N TYR A 85 3.456 0.679 4.261 1.00 12.03 N ATOM 1411 CA TYR A 85 4.694 1.398 4.524 1.00 0.10 C ATOM 1412 C TYR A 85 4.401 2.829 4.968 1.00 54.32 C ATOM 1413 O TYR A 85 5.160 3.421 5.736 1.00 2.21 O ATOM 1414 CB TYR A 85 5.631 1.348 3.304 1.00 65.42 C ATOM 1415 CG TYR A 85 5.511 2.490 2.315 1.00 53.23 C ATOM 1416 CD1 TYR A 85 6.259 3.648 2.478 1.00 51.43 C ATOM 1417 CD2 TYR A 85 4.677 2.401 1.211 1.00 42.34 C ATOM 1418 CE1 TYR A 85 6.178 4.686 1.573 1.00 45.31 C ATOM 1419 CE2 TYR A 85 4.586 3.438 0.301 1.00 33.15 C ATOM 1420 CZ TYR A 85 5.339 4.579 0.487 1.00 33.23 C ATOM 1421 OH TYR A 85 5.258 5.609 -0.418 1.00 43.31 O ATOM 0 H TYR A 85 3.254 0.508 3.276 1.00 12.03 H new ATOM 0 HA TYR A 85 5.215 0.904 5.344 1.00 0.10 H new ATOM 0 HB2 TYR A 85 6.659 1.315 3.664 1.00 65.42 H new ATOM 0 HB3 TYR A 85 5.449 0.414 2.772 1.00 65.42 H new ATOM 0 HD1 TYR A 85 6.917 3.738 3.330 1.00 51.43 H new ATOM 0 HD2 TYR A 85 4.089 1.508 1.059 1.00 42.34 H new ATOM 0 HE1 TYR A 85 6.770 5.578 1.716 1.00 45.31 H new ATOM 0 HE2 TYR A 85 3.928 3.355 -0.552 1.00 33.15 H new ATOM 0 HH TYR A 85 5.367 5.256 -1.326 1.00 43.31 H new ATOM 1431 N VAL A 86 3.284 3.372 4.503 1.00 60.11 N ATOM 1432 CA VAL A 86 2.852 4.699 4.917 1.00 52.34 C ATOM 1433 C VAL A 86 2.268 4.647 6.325 1.00 23.22 C ATOM 1434 O VAL A 86 2.629 5.439 7.195 1.00 20.23 O ATOM 1435 CB VAL A 86 1.794 5.263 3.950 1.00 20.42 C ATOM 1436 CG1 VAL A 86 1.301 6.626 4.414 1.00 24.21 C ATOM 1437 CG2 VAL A 86 2.356 5.348 2.541 1.00 42.42 C ATOM 0 H VAL A 86 2.661 2.913 3.839 1.00 60.11 H new ATOM 0 HA VAL A 86 3.724 5.353 4.905 1.00 52.34 H new ATOM 0 HB VAL A 86 0.942 4.583 3.944 1.00 20.42 H new ATOM 0 HG11 VAL A 86 0.555 7.001 3.713 1.00 24.21 H new ATOM 0 HG12 VAL A 86 0.855 6.534 5.404 1.00 24.21 H new ATOM 0 HG13 VAL A 86 2.140 7.321 4.457 1.00 24.21 H new ATOM 0 HG21 VAL A 86 1.596 5.748 1.870 1.00 42.42 H new ATOM 0 HG22 VAL A 86 3.227 6.004 2.536 1.00 42.42 H new ATOM 0 HG23 VAL A 86 2.649 4.353 2.205 1.00 42.42 H new ATOM 1447 N SER A 87 1.385 3.682 6.535 1.00 23.23 N ATOM 1448 CA SER A 87 0.669 3.520 7.792 1.00 73.25 C ATOM 1449 C SER A 87 1.614 3.242 8.962 1.00 14.35 C ATOM 1450 O SER A 87 1.372 3.702 10.082 1.00 50.52 O ATOM 1451 CB SER A 87 -0.371 2.402 7.647 1.00 31.01 C ATOM 1452 OG SER A 87 -1.563 2.895 7.060 1.00 51.41 O ATOM 0 H SER A 87 1.143 2.984 5.832 1.00 23.23 H new ATOM 0 HA SER A 87 0.162 4.458 8.019 1.00 73.25 H new ATOM 0 HB2 SER A 87 0.036 1.598 7.034 1.00 31.01 H new ATOM 0 HB3 SER A 87 -0.592 1.976 8.626 1.00 31.01 H new ATOM 0 HG SER A 87 -2.212 2.166 6.975 1.00 51.41 H new ATOM 1458 N ALA A 88 2.690 2.502 8.707 1.00 13.34 N ATOM 1459 CA ALA A 88 3.687 2.236 9.737 1.00 54.20 C ATOM 1460 C ALA A 88 4.383 3.526 10.156 1.00 34.12 C ATOM 1461 O ALA A 88 4.692 3.731 11.332 1.00 10.21 O ATOM 1462 CB ALA A 88 4.701 1.219 9.239 1.00 43.22 C ATOM 0 H ALA A 88 2.892 2.079 7.801 1.00 13.34 H new ATOM 0 HA ALA A 88 3.181 1.823 10.610 1.00 54.20 H new ATOM 0 HB1 ALA A 88 5.439 1.030 10.018 1.00 43.22 H new ATOM 0 HB2 ALA A 88 4.191 0.289 8.989 1.00 43.22 H new ATOM 0 HB3 ALA A 88 5.201 1.608 8.352 1.00 43.22 H new ATOM 1468 N ALA A 89 4.593 4.406 9.189 1.00 43.10 N ATOM 1469 CA ALA A 89 5.248 5.680 9.443 1.00 44.44 C ATOM 1470 C ALA A 89 4.304 6.643 10.135 1.00 34.22 C ATOM 1471 O ALA A 89 4.739 7.520 10.882 1.00 63.41 O ATOM 1472 CB ALA A 89 5.775 6.277 8.149 1.00 22.30 C ATOM 0 H ALA A 89 4.318 4.260 8.218 1.00 43.10 H new ATOM 0 HA ALA A 89 6.094 5.502 10.107 1.00 44.44 H new ATOM 0 HB1 ALA A 89 6.261 7.229 8.359 1.00 22.30 H new ATOM 0 HB2 ALA A 89 6.495 5.593 7.700 1.00 22.30 H new ATOM 0 HB3 ALA A 89 4.947 6.437 7.458 1.00 22.30 H new ATOM 1478 N ILE A 90 3.012 6.481 9.889 1.00 12.23 N ATOM 1479 CA ILE A 90 2.014 7.309 10.544 1.00 42.23 C ATOM 1480 C ILE A 90 1.983 7.015 12.038 1.00 23.23 C ATOM 1481 O ILE A 90 1.961 7.928 12.866 1.00 35.30 O ATOM 1482 CB ILE A 90 0.599 7.094 9.953 1.00 62.03 C ATOM 1483 CG1 ILE A 90 0.582 7.435 8.462 1.00 33.22 C ATOM 1484 CG2 ILE A 90 -0.426 7.938 10.702 1.00 52.01 C ATOM 1485 CD1 ILE A 90 -0.736 7.133 7.781 1.00 23.11 C ATOM 0 H ILE A 90 2.633 5.787 9.244 1.00 12.23 H new ATOM 0 HA ILE A 90 2.299 8.347 10.373 1.00 42.23 H new ATOM 0 HB ILE A 90 0.335 6.043 10.070 1.00 62.03 H new ATOM 0 HG12 ILE A 90 0.810 8.494 8.338 1.00 33.22 H new ATOM 0 HG13 ILE A 90 1.374 6.878 7.962 1.00 33.22 H new ATOM 0 HG21 ILE A 90 -1.415 7.775 10.273 1.00 52.01 H new ATOM 0 HG22 ILE A 90 -0.434 7.652 11.754 1.00 52.01 H new ATOM 0 HG23 ILE A 90 -0.163 8.992 10.615 1.00 52.01 H new ATOM 0 HD11 ILE A 90 -0.671 7.401 6.727 1.00 23.11 H new ATOM 0 HD12 ILE A 90 -0.957 6.070 7.872 1.00 23.11 H new ATOM 0 HD13 ILE A 90 -1.530 7.711 8.254 1.00 23.11 H new ATOM 1497 N LYS A 91 2.017 5.732 12.373 1.00 25.33 N ATOM 1498 CA LYS A 91 1.954 5.301 13.761 1.00 3.24 C ATOM 1499 C LYS A 91 3.182 5.763 14.537 1.00 75.44 C ATOM 1500 O LYS A 91 3.073 6.224 15.674 1.00 51.23 O ATOM 1501 CB LYS A 91 1.824 3.778 13.845 1.00 65.52 C ATOM 1502 CG LYS A 91 1.717 3.260 15.270 1.00 34.34 C ATOM 1503 CD LYS A 91 0.578 3.937 16.013 1.00 2.04 C ATOM 1504 CE LYS A 91 0.493 3.490 17.464 1.00 73.14 C ATOM 1505 NZ LYS A 91 0.140 2.052 17.598 1.00 10.24 N ATOM 0 H LYS A 91 2.088 4.970 11.699 1.00 25.33 H new ATOM 0 HA LYS A 91 1.072 5.757 14.211 1.00 3.24 H new ATOM 0 HB2 LYS A 91 0.943 3.464 13.285 1.00 65.52 H new ATOM 0 HB3 LYS A 91 2.688 3.320 13.363 1.00 65.52 H new ATOM 0 HG2 LYS A 91 1.557 2.182 15.257 1.00 34.34 H new ATOM 0 HG3 LYS A 91 2.655 3.437 15.796 1.00 34.34 H new ATOM 0 HD2 LYS A 91 0.713 5.018 15.975 1.00 2.04 H new ATOM 0 HD3 LYS A 91 -0.364 3.716 15.511 1.00 2.04 H new ATOM 0 HE2 LYS A 91 1.450 3.673 17.954 1.00 73.14 H new ATOM 0 HE3 LYS A 91 -0.251 4.093 17.983 1.00 73.14 H new ATOM 0 HZ1 LYS A 91 0.028 1.814 18.604 1.00 10.24 H new ATOM 0 HZ2 LYS A 91 -0.752 1.865 17.097 1.00 10.24 H new ATOM 0 HZ3 LYS A 91 0.897 1.469 17.186 1.00 10.24 H new ATOM 1519 N LYS A 92 4.350 5.639 13.925 1.00 15.20 N ATOM 1520 CA LYS A 92 5.585 6.028 14.588 1.00 22.42 C ATOM 1521 C LYS A 92 5.659 7.545 14.755 1.00 43.32 C ATOM 1522 O LYS A 92 6.184 8.042 15.748 1.00 72.53 O ATOM 1523 CB LYS A 92 6.806 5.517 13.821 1.00 31.50 C ATOM 1524 CG LYS A 92 8.113 5.759 14.563 1.00 34.33 C ATOM 1525 CD LYS A 92 8.067 5.137 15.952 1.00 35.43 C ATOM 1526 CE LYS A 92 9.153 5.690 16.857 1.00 52.51 C ATOM 1527 NZ LYS A 92 8.984 5.224 18.258 1.00 1.32 N ATOM 0 H LYS A 92 4.469 5.276 12.979 1.00 15.20 H new ATOM 0 HA LYS A 92 5.588 5.571 15.578 1.00 22.42 H new ATOM 0 HB2 LYS A 92 6.692 4.449 13.635 1.00 31.50 H new ATOM 0 HB3 LYS A 92 6.850 6.007 12.848 1.00 31.50 H new ATOM 0 HG2 LYS A 92 8.942 5.335 13.997 1.00 34.33 H new ATOM 0 HG3 LYS A 92 8.297 6.830 14.645 1.00 34.33 H new ATOM 0 HD2 LYS A 92 7.091 5.323 16.401 1.00 35.43 H new ATOM 0 HD3 LYS A 92 8.179 4.056 15.869 1.00 35.43 H new ATOM 0 HE2 LYS A 92 10.130 5.381 16.485 1.00 52.51 H new ATOM 0 HE3 LYS A 92 9.131 6.779 16.830 1.00 52.51 H new ATOM 0 HZ1 LYS A 92 9.742 5.620 18.849 1.00 1.32 H new ATOM 0 HZ2 LYS A 92 8.062 5.540 18.620 1.00 1.32 H new ATOM 0 HZ3 LYS A 92 9.030 4.185 18.286 1.00 1.32 H new ATOM 1541 N GLY A 93 5.126 8.273 13.781 1.00 64.32 N ATOM 1542 CA GLY A 93 5.096 9.720 13.877 1.00 70.12 C ATOM 1543 C GLY A 93 5.908 10.405 12.798 1.00 62.22 C ATOM 1544 O GLY A 93 6.242 11.585 12.917 1.00 23.23 O ATOM 0 H GLY A 93 4.716 7.889 12.930 1.00 64.32 H new ATOM 0 HA2 GLY A 93 4.062 10.061 13.817 1.00 70.12 H new ATOM 0 HA3 GLY A 93 5.474 10.021 14.854 1.00 70.12 H new ATOM 1548 N TYR A 94 6.230 9.675 11.740 1.00 1.23 N ATOM 1549 CA TYR A 94 6.933 10.260 10.609 1.00 42.52 C ATOM 1550 C TYR A 94 5.922 10.856 9.636 1.00 50.54 C ATOM 1551 O TYR A 94 6.079 11.987 9.170 1.00 22.24 O ATOM 1552 CB TYR A 94 7.807 9.217 9.905 1.00 4.15 C ATOM 1553 CG TYR A 94 8.599 9.782 8.746 1.00 12.24 C ATOM 1554 CD1 TYR A 94 9.736 10.549 8.967 1.00 34.20 C ATOM 1555 CD2 TYR A 94 8.208 9.551 7.433 1.00 14.33 C ATOM 1556 CE1 TYR A 94 10.459 11.073 7.912 1.00 32.12 C ATOM 1557 CE2 TYR A 94 8.928 10.069 6.375 1.00 45.24 C ATOM 1558 CZ TYR A 94 10.051 10.830 6.619 1.00 50.42 C ATOM 1559 OH TYR A 94 10.764 11.353 5.565 1.00 64.05 O ATOM 0 H TYR A 94 6.017 8.682 11.642 1.00 1.23 H new ATOM 0 HA TYR A 94 7.590 11.049 10.974 1.00 42.52 H new ATOM 0 HB2 TYR A 94 8.496 8.783 10.629 1.00 4.15 H new ATOM 0 HB3 TYR A 94 7.173 8.408 9.542 1.00 4.15 H new ATOM 0 HD1 TYR A 94 10.060 10.739 9.980 1.00 34.20 H new ATOM 0 HD2 TYR A 94 7.327 8.957 7.237 1.00 14.33 H new ATOM 0 HE1 TYR A 94 11.339 11.670 8.100 1.00 32.12 H new ATOM 0 HE2 TYR A 94 8.612 9.879 5.360 1.00 45.24 H new ATOM 0 HH TYR A 94 10.343 11.086 4.721 1.00 64.05 H new ATOM 1569 N MET A 95 4.882 10.089 9.339 1.00 43.35 N ATOM 1570 CA MET A 95 3.792 10.571 8.517 1.00 44.55 C ATOM 1571 C MET A 95 2.700 11.132 9.406 1.00 23.41 C ATOM 1572 O MET A 95 1.976 10.391 10.063 1.00 31.24 O ATOM 1573 CB MET A 95 3.248 9.453 7.632 1.00 22.24 C ATOM 1574 CG MET A 95 4.138 9.134 6.443 1.00 62.23 C ATOM 1575 SD MET A 95 4.320 10.534 5.324 1.00 13.24 S ATOM 1576 CE MET A 95 2.659 10.665 4.660 1.00 64.44 C ATOM 0 H MET A 95 4.775 9.127 9.659 1.00 43.35 H new ATOM 0 HA MET A 95 4.161 11.362 7.864 1.00 44.55 H new ATOM 0 HB2 MET A 95 3.122 8.553 8.234 1.00 22.24 H new ATOM 0 HB3 MET A 95 2.259 9.735 7.270 1.00 22.24 H new ATOM 0 HG2 MET A 95 5.121 8.828 6.801 1.00 62.23 H new ATOM 0 HG3 MET A 95 3.720 8.288 5.897 1.00 62.23 H new ATOM 0 HE1 MET A 95 2.710 10.891 3.595 1.00 64.44 H new ATOM 0 HE2 MET A 95 2.133 9.721 4.806 1.00 64.44 H new ATOM 0 HE3 MET A 95 2.123 11.462 5.175 1.00 64.44 H new ATOM 1586 N GLU A 96 2.609 12.447 9.434 1.00 50.41 N ATOM 1587 CA GLU A 96 1.698 13.134 10.333 1.00 33.01 C ATOM 1588 C GLU A 96 0.288 13.174 9.765 1.00 21.24 C ATOM 1589 O GLU A 96 -0.693 13.126 10.507 1.00 70.31 O ATOM 1590 CB GLU A 96 2.213 14.544 10.593 1.00 33.01 C ATOM 1591 CG GLU A 96 3.592 14.554 11.227 1.00 22.23 C ATOM 1592 CD GLU A 96 4.192 15.936 11.318 1.00 75.50 C ATOM 1593 OE1 GLU A 96 4.625 16.465 10.272 1.00 20.52 O ATOM 1594 OE2 GLU A 96 4.246 16.496 12.433 1.00 74.24 O ATOM 0 H GLU A 96 3.159 13.067 8.840 1.00 50.41 H new ATOM 0 HA GLU A 96 1.655 12.586 11.274 1.00 33.01 H new ATOM 0 HB2 GLU A 96 2.246 15.094 9.653 1.00 33.01 H new ATOM 0 HB3 GLU A 96 1.514 15.068 11.245 1.00 33.01 H new ATOM 0 HG2 GLU A 96 3.529 14.125 12.227 1.00 22.23 H new ATOM 0 HG3 GLU A 96 4.257 13.913 10.647 1.00 22.23 H new ATOM 1601 N ASN A 97 0.194 13.267 8.449 1.00 30.23 N ATOM 1602 CA ASN A 97 -1.093 13.266 7.774 1.00 52.34 C ATOM 1603 C ASN A 97 -1.188 12.094 6.815 1.00 61.10 C ATOM 1604 O ASN A 97 -0.249 11.809 6.067 1.00 40.52 O ATOM 1605 CB ASN A 97 -1.323 14.577 7.019 1.00 43.44 C ATOM 1606 CG ASN A 97 -1.601 15.744 7.944 1.00 25.22 C ATOM 1607 OD1 ASN A 97 -2.339 15.494 9.017 1.00 41.55 O flip ATOM 1608 ND2 ASN A 97 -1.171 16.870 7.684 1.00 14.33 N flip ATOM 0 H ASN A 97 0.997 13.344 7.825 1.00 30.23 H new ATOM 0 HA ASN A 97 -1.867 13.168 8.535 1.00 52.34 H new ATOM 0 HB2 ASN A 97 -0.446 14.801 6.412 1.00 43.44 H new ATOM 0 HB3 ASN A 97 -2.162 14.454 6.334 1.00 43.44 H new ATOM 0 HD21 ASN A 97 -0.606 17.020 6.848 1.00 14.33 H new ATOM 0 HD22 ASN A 97 -1.380 17.652 8.305 1.00 14.33 H new ATOM 1615 N ASP A 98 -2.319 11.415 6.856 1.00 3.41 N ATOM 1616 CA ASP A 98 -2.564 10.261 6.020 1.00 22.22 C ATOM 1617 C ASP A 98 -2.982 10.681 4.614 1.00 24.03 C ATOM 1618 O ASP A 98 -3.572 11.743 4.420 1.00 13.21 O ATOM 1619 CB ASP A 98 -3.647 9.392 6.657 1.00 71.22 C ATOM 1620 CG ASP A 98 -4.849 10.189 7.120 1.00 31.22 C ATOM 1621 OD1 ASP A 98 -4.774 10.810 8.208 1.00 73.04 O ATOM 1622 OD2 ASP A 98 -5.867 10.195 6.409 1.00 42.31 O ATOM 0 H ASP A 98 -3.095 11.652 7.474 1.00 3.41 H new ATOM 0 HA ASP A 98 -1.640 9.688 5.936 1.00 22.22 H new ATOM 0 HB2 ASP A 98 -3.972 8.640 5.938 1.00 71.22 H new ATOM 0 HB3 ASP A 98 -3.223 8.858 7.507 1.00 71.22 H new ATOM 1627 N PRO A 99 -2.667 9.851 3.610 1.00 63.24 N ATOM 1628 CA PRO A 99 -2.972 10.145 2.207 1.00 2.02 C ATOM 1629 C PRO A 99 -4.426 9.850 1.831 1.00 13.02 C ATOM 1630 O PRO A 99 -4.851 10.109 0.704 1.00 25.20 O ATOM 1631 CB PRO A 99 -2.021 9.218 1.456 1.00 1.43 C ATOM 1632 CG PRO A 99 -1.857 8.037 2.352 1.00 14.22 C ATOM 1633 CD PRO A 99 -1.959 8.561 3.761 1.00 20.13 C ATOM 0 HA PRO A 99 -2.847 11.203 1.975 1.00 2.02 H new ATOM 0 HB2 PRO A 99 -2.432 8.928 0.489 1.00 1.43 H new ATOM 0 HB3 PRO A 99 -1.065 9.704 1.262 1.00 1.43 H new ATOM 0 HG2 PRO A 99 -2.627 7.291 2.157 1.00 14.22 H new ATOM 0 HG3 PRO A 99 -0.895 7.553 2.185 1.00 14.22 H new ATOM 0 HD2 PRO A 99 -2.511 7.875 4.403 1.00 20.13 H new ATOM 0 HD3 PRO A 99 -0.975 8.695 4.210 1.00 20.13 H new ATOM 1641 N PHE A 100 -5.181 9.302 2.771 1.00 54.43 N ATOM 1642 CA PHE A 100 -6.577 8.952 2.525 1.00 73.23 C ATOM 1643 C PHE A 100 -7.504 9.882 3.279 1.00 62.15 C ATOM 1644 O PHE A 100 -8.685 9.604 3.498 1.00 72.04 O ATOM 1645 CB PHE A 100 -6.831 7.510 2.904 1.00 43.55 C ATOM 1646 CG PHE A 100 -6.354 7.097 4.273 1.00 73.33 C ATOM 1647 CD1 PHE A 100 -7.178 7.222 5.382 1.00 44.11 C ATOM 1648 CD2 PHE A 100 -5.085 6.563 4.447 1.00 53.53 C ATOM 1649 CE1 PHE A 100 -6.745 6.824 6.633 1.00 24.15 C ATOM 1650 CE2 PHE A 100 -4.646 6.167 5.696 1.00 11.41 C ATOM 1651 CZ PHE A 100 -5.479 6.297 6.791 1.00 35.25 C ATOM 0 H PHE A 100 -4.853 9.089 3.713 1.00 54.43 H new ATOM 0 HA PHE A 100 -6.781 9.068 1.461 1.00 73.23 H new ATOM 0 HB2 PHE A 100 -7.903 7.321 2.841 1.00 43.55 H new ATOM 0 HB3 PHE A 100 -6.351 6.870 2.164 1.00 43.55 H new ATOM 0 HD1 PHE A 100 -8.169 7.635 5.267 1.00 44.11 H new ATOM 0 HD2 PHE A 100 -4.431 6.455 3.594 1.00 53.53 H new ATOM 0 HE1 PHE A 100 -7.398 6.925 7.487 1.00 24.15 H new ATOM 0 HE2 PHE A 100 -3.654 5.757 5.816 1.00 11.41 H new ATOM 0 HZ PHE A 100 -5.140 5.987 7.768 1.00 35.25 H new ATOM 1661 N LYS A 101 -6.925 10.991 3.642 1.00 52.35 N ATOM 1662 CA LYS A 101 -7.586 12.064 4.362 1.00 35.03 C ATOM 1663 C LYS A 101 -8.887 12.524 3.693 1.00 20.02 C ATOM 1664 O LYS A 101 -9.785 13.039 4.364 1.00 64.22 O ATOM 1665 CB LYS A 101 -6.610 13.229 4.463 1.00 40.34 C ATOM 1666 CG LYS A 101 -5.965 13.357 5.826 1.00 13.10 C ATOM 1667 CD LYS A 101 -6.970 13.769 6.883 1.00 64.13 C ATOM 1668 CE LYS A 101 -6.430 13.509 8.273 1.00 70.53 C ATOM 1669 NZ LYS A 101 -7.175 14.265 9.312 1.00 74.35 N ATOM 0 H LYS A 101 -5.945 11.189 3.442 1.00 52.35 H new ATOM 0 HA LYS A 101 -7.868 11.694 5.348 1.00 35.03 H new ATOM 0 HB2 LYS A 101 -5.831 13.107 3.711 1.00 40.34 H new ATOM 0 HB3 LYS A 101 -7.136 14.155 4.230 1.00 40.34 H new ATOM 0 HG2 LYS A 101 -5.512 12.406 6.105 1.00 13.10 H new ATOM 0 HG3 LYS A 101 -5.161 14.092 5.781 1.00 13.10 H new ATOM 0 HD2 LYS A 101 -7.207 14.827 6.773 1.00 64.13 H new ATOM 0 HD3 LYS A 101 -7.900 13.218 6.741 1.00 64.13 H new ATOM 0 HE2 LYS A 101 -6.488 12.442 8.490 1.00 70.53 H new ATOM 0 HE3 LYS A 101 -5.376 13.785 8.310 1.00 70.53 H new ATOM 0 HZ1 LYS A 101 -6.772 14.057 10.248 1.00 74.35 H new ATOM 0 HZ2 LYS A 101 -7.099 15.284 9.121 1.00 74.35 H new ATOM 0 HZ3 LYS A 101 -8.176 13.983 9.296 1.00 74.35 H new ATOM 1683 N ASP A 102 -8.996 12.328 2.384 1.00 32.40 N ATOM 1684 CA ASP A 102 -10.158 12.786 1.635 1.00 52.45 C ATOM 1685 C ASP A 102 -11.375 11.907 1.909 1.00 24.33 C ATOM 1686 O ASP A 102 -12.511 12.295 1.632 1.00 52.10 O ATOM 1687 CB ASP A 102 -9.849 12.806 0.138 1.00 62.51 C ATOM 1688 CG ASP A 102 -9.758 11.419 -0.461 1.00 13.24 C ATOM 1689 OD1 ASP A 102 -9.019 10.581 0.085 1.00 61.32 O ATOM 1690 OD2 ASP A 102 -10.431 11.165 -1.484 1.00 51.22 O ATOM 0 H ASP A 102 -8.291 11.854 1.819 1.00 32.40 H new ATOM 0 HA ASP A 102 -10.392 13.798 1.964 1.00 52.45 H new ATOM 0 HB2 ASP A 102 -10.624 13.371 -0.381 1.00 62.51 H new ATOM 0 HB3 ASP A 102 -8.908 13.330 -0.027 1.00 62.51 H new ATOM 1695 N PHE A 103 -11.133 10.728 2.464 1.00 20.22 N ATOM 1696 CA PHE A 103 -12.214 9.824 2.839 1.00 11.51 C ATOM 1697 C PHE A 103 -12.904 10.326 4.101 1.00 34.24 C ATOM 1698 O PHE A 103 -14.063 9.996 4.363 1.00 13.51 O ATOM 1699 CB PHE A 103 -11.694 8.398 3.048 1.00 33.34 C ATOM 1700 CG PHE A 103 -11.272 7.714 1.777 1.00 5.04 C ATOM 1701 CD1 PHE A 103 -12.192 7.465 0.771 1.00 63.24 C ATOM 1702 CD2 PHE A 103 -9.958 7.321 1.590 1.00 71.44 C ATOM 1703 CE1 PHE A 103 -11.808 6.837 -0.398 1.00 61.33 C ATOM 1704 CE2 PHE A 103 -9.569 6.692 0.422 1.00 4.11 C ATOM 1705 CZ PHE A 103 -10.495 6.451 -0.573 1.00 41.01 C ATOM 0 H PHE A 103 -10.198 10.374 2.665 1.00 20.22 H new ATOM 0 HA PHE A 103 -12.937 9.802 2.024 1.00 11.51 H new ATOM 0 HB2 PHE A 103 -10.846 8.427 3.733 1.00 33.34 H new ATOM 0 HB3 PHE A 103 -12.472 7.804 3.528 1.00 33.34 H new ATOM 0 HD1 PHE A 103 -13.221 7.765 0.902 1.00 63.24 H new ATOM 0 HD2 PHE A 103 -9.229 7.508 2.365 1.00 71.44 H new ATOM 0 HE1 PHE A 103 -12.535 6.648 -1.174 1.00 61.33 H new ATOM 0 HE2 PHE A 103 -8.541 6.389 0.288 1.00 4.11 H new ATOM 0 HZ PHE A 103 -10.192 5.961 -1.487 1.00 41.01 H new ATOM 1715 N GLY A 104 -12.199 11.151 4.862 1.00 52.22 N ATOM 1716 CA GLY A 104 -12.765 11.702 6.074 1.00 4.43 C ATOM 1717 C GLY A 104 -12.364 10.913 7.300 1.00 75.34 C ATOM 1718 O GLY A 104 -12.856 9.804 7.521 1.00 73.43 O ATOM 0 H GLY A 104 -11.244 11.448 4.661 1.00 52.22 H new ATOM 0 HA2 GLY A 104 -12.441 12.736 6.187 1.00 4.43 H new ATOM 0 HA3 GLY A 104 -13.852 11.716 5.992 1.00 4.43 H new ATOM 1722 N LEU A 105 -11.473 11.477 8.099 1.00 44.10 N ATOM 1723 CA LEU A 105 -10.993 10.812 9.291 1.00 62.53 C ATOM 1724 C LEU A 105 -11.554 11.485 10.528 1.00 51.33 C ATOM 1725 O LEU A 105 -11.986 12.638 10.479 1.00 44.02 O ATOM 1726 CB LEU A 105 -9.459 10.807 9.344 1.00 63.41 C ATOM 1727 CG LEU A 105 -8.767 9.730 8.494 1.00 14.14 C ATOM 1728 CD1 LEU A 105 -9.253 8.344 8.889 1.00 12.43 C ATOM 1729 CD2 LEU A 105 -8.995 9.966 7.010 1.00 2.44 C ATOM 0 H LEU A 105 -11.068 12.399 7.939 1.00 44.10 H new ATOM 0 HA LEU A 105 -11.335 9.777 9.260 1.00 62.53 H new ATOM 0 HB2 LEU A 105 -9.099 11.784 9.022 1.00 63.41 H new ATOM 0 HB3 LEU A 105 -9.150 10.679 10.381 1.00 63.41 H new ATOM 0 HG LEU A 105 -7.696 9.794 8.684 1.00 14.14 H new ATOM 0 HD11 LEU A 105 -8.752 7.594 8.276 1.00 12.43 H new ATOM 0 HD12 LEU A 105 -9.026 8.165 9.940 1.00 12.43 H new ATOM 0 HD13 LEU A 105 -10.330 8.278 8.734 1.00 12.43 H new ATOM 0 HD21 LEU A 105 -8.493 9.187 6.436 1.00 2.44 H new ATOM 0 HD22 LEU A 105 -10.064 9.941 6.798 1.00 2.44 H new ATOM 0 HD23 LEU A 105 -8.592 10.939 6.730 1.00 2.44 H new ATOM 1741 N GLU A 106 -11.538 10.753 11.623 1.00 61.30 N ATOM 1742 CA GLU A 106 -12.082 11.225 12.888 1.00 24.22 C ATOM 1743 C GLU A 106 -11.300 12.433 13.391 1.00 64.30 C ATOM 1744 O GLU A 106 -10.072 12.391 13.491 1.00 42.13 O ATOM 1745 CB GLU A 106 -12.023 10.108 13.931 1.00 64.04 C ATOM 1746 CG GLU A 106 -12.558 8.774 13.436 1.00 54.21 C ATOM 1747 CD GLU A 106 -14.024 8.818 13.058 1.00 11.52 C ATOM 1748 OE1 GLU A 106 -14.880 8.784 13.968 1.00 34.43 O ATOM 1749 OE2 GLU A 106 -14.329 8.850 11.851 1.00 42.23 O ATOM 0 H GLU A 106 -11.148 9.812 11.665 1.00 61.30 H new ATOM 0 HA GLU A 106 -13.119 11.519 12.728 1.00 24.22 H new ATOM 0 HB2 GLU A 106 -10.989 9.977 14.251 1.00 64.04 H new ATOM 0 HB3 GLU A 106 -12.592 10.414 14.809 1.00 64.04 H new ATOM 0 HG2 GLU A 106 -11.976 8.456 12.571 1.00 54.21 H new ATOM 0 HG3 GLU A 106 -12.413 8.022 14.212 1.00 54.21 H new ATOM 1756 N HIS A 107 -12.007 13.507 13.698 1.00 34.34 N ATOM 1757 CA HIS A 107 -11.374 14.708 14.220 1.00 43.43 C ATOM 1758 C HIS A 107 -11.154 14.585 15.720 1.00 1.12 C ATOM 1759 O HIS A 107 -11.858 15.199 16.523 1.00 33.22 O ATOM 1760 CB HIS A 107 -12.205 15.953 13.899 1.00 22.15 C ATOM 1761 CG HIS A 107 -12.232 16.285 12.438 1.00 55.31 C ATOM 1762 ND1 HIS A 107 -13.353 16.147 11.652 1.00 51.14 N ATOM 1763 CD2 HIS A 107 -11.260 16.751 11.620 1.00 52.01 C ATOM 1764 CE1 HIS A 107 -13.068 16.506 10.418 1.00 30.53 C ATOM 1765 NE2 HIS A 107 -11.805 16.879 10.370 1.00 63.34 N ATOM 0 H HIS A 107 -13.020 13.573 13.595 1.00 34.34 H new ATOM 0 HA HIS A 107 -10.404 14.817 13.734 1.00 43.43 H new ATOM 0 HB2 HIS A 107 -13.226 15.801 14.249 1.00 22.15 H new ATOM 0 HB3 HIS A 107 -11.802 16.803 14.451 1.00 22.15 H new ATOM 0 HD2 HIS A 107 -10.243 16.980 11.901 1.00 52.01 H new ATOM 0 HE1 HIS A 107 -13.754 16.496 9.584 1.00 30.53 H new ATOM 0 HE2 HIS A 107 -11.314 17.209 9.539 1.00 63.34 H new ATOM 1774 N HIS A 108 -10.183 13.763 16.085 1.00 71.42 N ATOM 1775 CA HIS A 108 -9.838 13.545 17.480 1.00 52.33 C ATOM 1776 C HIS A 108 -8.827 14.595 17.920 1.00 25.42 C ATOM 1777 O HIS A 108 -7.641 14.294 18.089 1.00 71.04 O ATOM 1778 CB HIS A 108 -9.267 12.135 17.660 1.00 1.51 C ATOM 1779 CG HIS A 108 -9.302 11.630 19.068 1.00 44.33 C ATOM 1780 ND1 HIS A 108 -10.238 10.725 19.507 1.00 11.41 N ATOM 1781 CD2 HIS A 108 -8.501 11.885 20.131 1.00 1.31 C ATOM 1782 CE1 HIS A 108 -10.018 10.444 20.774 1.00 13.21 C ATOM 1783 NE2 HIS A 108 -8.969 11.133 21.179 1.00 63.43 N ATOM 0 H HIS A 108 -9.615 13.231 15.426 1.00 71.42 H new ATOM 0 HA HIS A 108 -10.731 13.635 18.098 1.00 52.33 H new ATOM 0 HB2 HIS A 108 -9.825 11.446 17.026 1.00 1.51 H new ATOM 0 HB3 HIS A 108 -8.235 12.126 17.309 1.00 1.51 H new ATOM 0 HD2 HIS A 108 -7.654 12.554 20.150 1.00 1.31 H new ATOM 0 HE1 HIS A 108 -10.599 9.764 21.380 1.00 13.21 H new ATOM 0 HE2 HIS A 108 -8.571 11.111 22.118 1.00 63.43 H new ATOM 1792 N HIS A 109 -9.315 15.826 18.076 1.00 52.14 N ATOM 1793 CA HIS A 109 -8.474 16.999 18.329 1.00 72.15 C ATOM 1794 C HIS A 109 -7.654 17.367 17.096 1.00 51.24 C ATOM 1795 O HIS A 109 -7.360 16.527 16.245 1.00 72.14 O ATOM 1796 CB HIS A 109 -7.536 16.794 19.524 1.00 41.02 C ATOM 1797 CG HIS A 109 -8.146 17.140 20.845 1.00 21.51 C ATOM 1798 ND1 HIS A 109 -8.108 16.300 21.932 1.00 65.12 N ATOM 1799 CD2 HIS A 109 -8.770 18.264 21.261 1.00 73.14 C ATOM 1800 CE1 HIS A 109 -8.689 16.888 22.960 1.00 52.22 C ATOM 1801 NE2 HIS A 109 -9.096 18.086 22.582 1.00 42.21 N ATOM 0 H HIS A 109 -10.311 16.040 18.030 1.00 52.14 H new ATOM 0 HA HIS A 109 -9.154 17.817 18.567 1.00 72.15 H new ATOM 0 HB2 HIS A 109 -7.215 15.753 19.546 1.00 41.02 H new ATOM 0 HB3 HIS A 109 -6.642 17.400 19.379 1.00 41.02 H new ATOM 0 HD2 HIS A 109 -8.974 19.141 20.664 1.00 73.14 H new ATOM 0 HE1 HIS A 109 -8.811 16.462 23.945 1.00 52.22 H new ATOM 0 HE2 HIS A 109 -9.573 18.766 23.174 1.00 42.21 H new ATOM 1810 N HIS A 110 -7.306 18.637 16.998 1.00 50.31 N ATOM 1811 CA HIS A 110 -6.445 19.108 15.922 1.00 12.34 C ATOM 1812 C HIS A 110 -5.007 19.154 16.426 1.00 52.31 C ATOM 1813 O HIS A 110 -4.057 19.286 15.654 1.00 10.15 O ATOM 1814 CB HIS A 110 -6.898 20.496 15.455 1.00 5.34 C ATOM 1815 CG HIS A 110 -6.490 20.828 14.051 1.00 24.32 C ATOM 1816 ND1 HIS A 110 -5.375 21.570 13.738 1.00 63.02 N ATOM 1817 CD2 HIS A 110 -7.079 20.525 12.871 1.00 2.44 C ATOM 1818 CE1 HIS A 110 -5.294 21.707 12.426 1.00 61.41 C ATOM 1819 NE2 HIS A 110 -6.318 21.082 11.875 1.00 33.12 N ATOM 0 H HIS A 110 -7.605 19.363 17.649 1.00 50.31 H new ATOM 0 HA HIS A 110 -6.508 18.428 15.072 1.00 12.34 H new ATOM 0 HB2 HIS A 110 -7.984 20.558 15.532 1.00 5.34 H new ATOM 0 HB3 HIS A 110 -6.487 21.247 16.130 1.00 5.34 H new ATOM 0 HD2 HIS A 110 -7.983 19.950 12.738 1.00 2.44 H new ATOM 0 HE1 HIS A 110 -4.520 22.241 11.894 1.00 61.41 H new ATOM 0 HE2 HIS A 110 -6.511 21.023 10.875 1.00 33.12 H new ATOM 1828 N HIS A 111 -4.877 19.028 17.741 1.00 63.34 N ATOM 1829 CA HIS A 111 -3.592 19.056 18.422 1.00 62.32 C ATOM 1830 C HIS A 111 -3.717 18.271 19.726 1.00 23.31 C ATOM 1831 O HIS A 111 -4.766 18.315 20.368 1.00 11.22 O ATOM 1832 CB HIS A 111 -3.190 20.507 18.717 1.00 61.14 C ATOM 1833 CG HIS A 111 -1.809 20.673 19.282 1.00 51.35 C ATOM 1834 ND1 HIS A 111 -1.506 20.484 20.615 1.00 22.42 N ATOM 1835 CD2 HIS A 111 -0.649 21.033 18.685 1.00 30.01 C ATOM 1836 CE1 HIS A 111 -0.226 20.727 20.812 1.00 10.50 C ATOM 1837 NE2 HIS A 111 0.317 21.061 19.657 1.00 54.12 N ATOM 0 H HIS A 111 -5.670 18.902 18.370 1.00 63.34 H new ATOM 0 HA HIS A 111 -2.825 18.606 17.792 1.00 62.32 H new ATOM 0 HB2 HIS A 111 -3.263 21.084 17.795 1.00 61.14 H new ATOM 0 HB3 HIS A 111 -3.908 20.933 19.417 1.00 61.14 H new ATOM 0 HD1 HIS A 111 -2.170 20.200 21.336 1.00 22.42 H new ATOM 0 HD2 HIS A 111 -0.510 21.257 17.638 1.00 30.01 H new ATOM 0 HE1 HIS A 111 0.291 20.664 21.758 1.00 10.50 H new ATOM 1846 N HIS A 112 -2.675 17.544 20.104 1.00 52.25 N ATOM 1847 CA HIS A 112 -2.697 16.812 21.365 1.00 4.10 C ATOM 1848 C HIS A 112 -2.096 17.667 22.480 1.00 53.14 C ATOM 1849 O HIS A 112 -2.419 18.869 22.538 1.00 38.21 O ATOM 1850 CB HIS A 112 -1.967 15.455 21.249 1.00 54.24 C ATOM 1851 CG HIS A 112 -0.516 15.531 20.853 1.00 44.53 C ATOM 1852 ND1 HIS A 112 0.457 16.091 21.653 1.00 53.51 N ATOM 1853 CD2 HIS A 112 0.126 15.097 19.742 1.00 73.12 C ATOM 1854 CE1 HIS A 112 1.630 16.000 21.056 1.00 10.15 C ATOM 1855 NE2 HIS A 112 1.457 15.403 19.896 1.00 34.01 N ATOM 1856 OXT HIS A 112 -1.313 17.141 23.298 1.00 38.21 O ATOM 0 H HIS A 112 -1.815 17.445 19.565 1.00 52.25 H new ATOM 0 HA HIS A 112 -3.736 16.596 21.613 1.00 4.10 H new ATOM 0 HB2 HIS A 112 -2.037 14.941 22.208 1.00 54.24 H new ATOM 0 HB3 HIS A 112 -2.493 14.840 20.519 1.00 54.24 H new ATOM 0 HD1 HIS A 112 0.295 16.512 22.568 1.00 53.51 H new ATOM 0 HD2 HIS A 112 -0.324 14.603 18.894 1.00 73.12 H new ATOM 0 HE1 HIS A 112 2.570 16.354 21.451 1.00 10.15 H new TER 1865 HIS A 112