USER MOD reduce.3.24.130724 H: found=0, std=0, add=1095, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 857 hydrogens (66 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 102 THR OG1 : rot -140:sc= 0 USER MOD Set 1.2: A 111 ASN :FLIP amide:sc= -0.415 F(o=-2.9!,f=-0.42) USER MOD Set 1.3: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 89 ASN : amide:sc= -0.987 K(o=-0.071,f=-5.4!) USER MOD Set 2.2: A 105 ASN :FLIP amide:sc= 0.916 F(o=-3.3,f=-0.071) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0843 (180deg=-0.57) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN :FLIP amide:sc= 0.307 F(o=-1.3!,f=0.31) USER MOD Single : A 4 SER OG : rot 67:sc= -1.54! USER MOD Single : A 6 LYS NZ :NH3+ -161:sc= -0.104 (180deg=-0.475) USER MOD Single : A 7 TYR OH : rot 68:sc= 1.17 USER MOD Single : A 8 GLN :FLIP amide:sc= -3.7! C(o=-5.9!,f=-3.7!) USER MOD Single : A 10 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= -0.267 USER MOD Single : A 12 GLN : amide:sc= -8.04! C(o=-8!,f=-8.4!) USER MOD Single : A 14 ASN : amide:sc= -0.0668 K(o=-0.067,f=-1.9!) USER MOD Single : A 19 MET CE :methyl -168:sc= -3.27! (180deg=-3.41) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -118:sc= -1.4 (180deg=-2.4) USER MOD Single : A 30 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.19) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -8:sc= 0.422 USER MOD Single : A 43 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.092) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HE2:sc= -0.536 K(o=-0.54,f=-2.1!) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.656 F(o=-2.2!,f=-0.66) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0387 USER MOD Single : A 69 CYS SG : rot 180:sc= -0.381 USER MOD Single : A 73 THR OG1 : rot 87:sc= 0.149 USER MOD Single : A 74 MET CE :methyl -160:sc= -0.107 (180deg=-0.754) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 168:sc= -0.0278 (180deg=-0.223) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 168:sc= -0.561 (180deg=-0.987) USER MOD Single : A 90 LYS NZ :NH3+ -169:sc=-0.00349 (180deg=-0.158) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -120:sc= -0.0201 USER MOD Single : A 94 THR OG1 : rot 41:sc= 0.0915 USER MOD Single : A 96 LYS NZ :NH3+ -137:sc= -1.41 (180deg=-3.92!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -179:sc= -0.335 USER MOD Single : A 108 THR OG1 : rot 80:sc= 0.363 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 81:sc= 0.726 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 166:sc= 0.0739 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -118:sc= -1.29 (180deg=-3.56!) USER MOD Single : A 128 OLA O2 : rot 30:sc= 0 USER MOD Single : A 129 OLA O2 : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.311 14.274 0.376 1.00 4.30 N ATOM 2 CA MET A 1 13.888 13.932 -1.006 1.00 3.84 C ATOM 3 C MET A 1 13.683 12.430 -1.155 1.00 2.89 C ATOM 4 O MET A 1 14.596 11.641 -0.904 1.00 2.87 O ATOM 5 CB MET A 1 14.937 14.411 -2.012 1.00 4.46 C ATOM 6 CG MET A 1 14.561 14.143 -3.462 1.00 5.10 C ATOM 7 SD MET A 1 15.871 14.591 -4.617 1.00 6.04 S ATOM 8 CE MET A 1 16.018 16.347 -4.300 1.00 6.91 C ATOM 0 H1 MET A 1 14.445 15.302 0.454 1.00 4.30 H new ATOM 0 H2 MET A 1 13.579 13.968 1.049 1.00 4.30 H new ATOM 0 H3 MET A 1 15.206 13.791 0.595 1.00 4.30 H new ATOM 0 HA MET A 1 12.941 14.434 -1.205 1.00 3.84 H new ATOM 0 HB2 MET A 1 15.094 15.481 -1.878 1.00 4.46 H new ATOM 0 HB3 MET A 1 15.886 13.921 -1.795 1.00 4.46 H new ATOM 0 HG2 MET A 1 14.323 13.086 -3.582 1.00 5.10 H new ATOM 0 HG3 MET A 1 13.659 14.703 -3.708 1.00 5.10 H new ATOM 0 HE1 MET A 1 16.554 16.822 -5.122 1.00 6.91 H new ATOM 0 HE2 MET A 1 15.024 16.786 -4.213 1.00 6.91 H new ATOM 0 HE3 MET A 1 16.566 16.504 -3.371 1.00 6.91 H new ATOM 20 N ASN A 2 12.480 12.036 -1.565 1.00 2.46 N ATOM 21 CA ASN A 2 12.163 10.626 -1.752 1.00 1.86 C ATOM 22 C ASN A 2 12.826 10.095 -3.018 1.00 1.11 C ATOM 23 O ASN A 2 12.706 10.688 -4.091 1.00 1.62 O ATOM 24 CB ASN A 2 10.648 10.420 -1.825 1.00 2.52 C ATOM 25 CG ASN A 2 10.240 8.994 -1.509 1.00 2.76 C ATOM 26 OD1 ASN A 2 10.949 8.368 -0.575 1.00 3.46 O flip ATOM 27 ND2 ASN A 2 9.294 8.462 -2.091 1.00 2.73 N flip ATOM 0 H ASN A 2 11.711 12.673 -1.773 1.00 2.46 H new ATOM 0 HA ASN A 2 12.548 10.072 -0.896 1.00 1.86 H new ATOM 0 HB2 ASN A 2 10.158 11.098 -1.126 1.00 2.52 H new ATOM 0 HB3 ASN A 2 10.297 10.682 -2.823 1.00 2.52 H new ATOM 0 HD21 ASN A 2 8.777 8.979 -2.802 1.00 2.73 H new ATOM 0 HD22 ASN A 2 9.028 7.504 -1.862 1.00 2.73 H new ATOM 32 N PHE A 3 13.526 8.974 -2.884 1.00 0.84 N ATOM 33 CA PHE A 3 14.224 8.363 -4.010 1.00 1.21 C ATOM 34 C PHE A 3 13.258 7.921 -5.099 1.00 1.09 C ATOM 35 O PHE A 3 13.669 7.673 -6.233 1.00 1.86 O ATOM 36 CB PHE A 3 15.051 7.170 -3.530 1.00 2.02 C ATOM 37 CG PHE A 3 16.036 7.519 -2.451 1.00 2.36 C ATOM 38 CD1 PHE A 3 17.308 7.964 -2.774 1.00 2.79 C ATOM 39 CD2 PHE A 3 15.692 7.401 -1.114 1.00 2.57 C ATOM 40 CE1 PHE A 3 18.218 8.285 -1.785 1.00 3.29 C ATOM 41 CE2 PHE A 3 16.596 7.721 -0.120 1.00 3.08 C ATOM 42 CZ PHE A 3 17.858 8.168 -0.454 1.00 3.40 C ATOM 0 H PHE A 3 13.625 8.468 -2.004 1.00 0.84 H new ATOM 0 HA PHE A 3 14.886 9.116 -4.437 1.00 1.21 H new ATOM 0 HB2 PHE A 3 14.378 6.397 -3.160 1.00 2.02 H new ATOM 0 HB3 PHE A 3 15.588 6.746 -4.378 1.00 2.02 H new ATOM 0 HD1 PHE A 3 17.592 8.061 -3.812 1.00 2.79 H new ATOM 0 HD2 PHE A 3 14.705 7.055 -0.846 1.00 2.57 H new ATOM 0 HE1 PHE A 3 19.208 8.626 -2.050 1.00 3.29 H new ATOM 0 HE2 PHE A 3 16.315 7.621 0.918 1.00 3.08 H new ATOM 0 HZ PHE A 3 18.563 8.426 0.322 1.00 3.40 H new ATOM 52 N SER A 4 11.976 7.830 -4.760 1.00 0.64 N ATOM 53 CA SER A 4 10.968 7.411 -5.723 1.00 0.56 C ATOM 54 C SER A 4 11.393 6.119 -6.414 1.00 0.52 C ATOM 55 O SER A 4 12.112 5.303 -5.835 1.00 0.75 O ATOM 56 CB SER A 4 10.751 8.512 -6.763 1.00 0.69 C ATOM 57 OG SER A 4 10.411 9.739 -6.143 1.00 1.53 O ATOM 0 H SER A 4 11.613 8.040 -3.830 1.00 0.64 H new ATOM 0 HA SER A 4 10.033 7.230 -5.192 1.00 0.56 H new ATOM 0 HB2 SER A 4 11.656 8.639 -7.357 1.00 0.69 H new ATOM 0 HB3 SER A 4 9.958 8.216 -7.450 1.00 0.69 H new ATOM 0 HG SER A 4 11.175 10.066 -5.624 1.00 1.53 H new ATOM 63 N GLY A 5 10.948 5.940 -7.651 1.00 0.43 N ATOM 64 CA GLY A 5 11.301 4.750 -8.406 1.00 0.45 C ATOM 65 C GLY A 5 10.167 3.748 -8.494 1.00 0.40 C ATOM 66 O GLY A 5 9.150 3.884 -7.812 1.00 0.54 O ATOM 0 H GLY A 5 10.347 6.598 -8.147 1.00 0.43 H new ATOM 0 HA2 GLY A 5 11.601 5.041 -9.413 1.00 0.45 H new ATOM 0 HA3 GLY A 5 12.164 4.274 -7.941 1.00 0.45 H new ATOM 70 N LYS A 6 10.345 2.736 -9.341 1.00 0.36 N ATOM 71 CA LYS A 6 9.334 1.698 -9.524 1.00 0.35 C ATOM 72 C LYS A 6 9.759 0.404 -8.833 1.00 0.30 C ATOM 73 O LYS A 6 10.855 -0.106 -9.067 1.00 0.36 O ATOM 74 CB LYS A 6 9.096 1.449 -11.017 1.00 0.47 C ATOM 75 CG LYS A 6 7.960 0.478 -11.306 1.00 1.02 C ATOM 76 CD LYS A 6 8.466 -0.946 -11.482 1.00 1.43 C ATOM 77 CE LYS A 6 9.211 -1.116 -12.797 1.00 1.75 C ATOM 78 NZ LYS A 6 8.335 -0.841 -13.970 1.00 2.38 N ATOM 0 H LYS A 6 11.181 2.613 -9.912 1.00 0.36 H new ATOM 0 HA LYS A 6 8.403 2.039 -9.071 1.00 0.35 H new ATOM 0 HB2 LYS A 6 8.881 2.400 -11.504 1.00 0.47 H new ATOM 0 HB3 LYS A 6 10.013 1.063 -11.462 1.00 0.47 H new ATOM 0 HG2 LYS A 6 7.238 0.509 -10.490 1.00 1.02 H new ATOM 0 HG3 LYS A 6 7.434 0.791 -12.208 1.00 1.02 H new ATOM 0 HD2 LYS A 6 9.126 -1.204 -10.653 1.00 1.43 H new ATOM 0 HD3 LYS A 6 7.625 -1.639 -11.447 1.00 1.43 H new ATOM 0 HE2 LYS A 6 10.068 -0.443 -12.818 1.00 1.75 H new ATOM 0 HE3 LYS A 6 9.601 -2.132 -12.865 1.00 1.75 H new ATOM 0 HZ1 LYS A 6 8.753 -1.265 -14.823 1.00 2.38 H new ATOM 0 HZ2 LYS A 6 7.394 -1.253 -13.805 1.00 2.38 H new ATOM 0 HZ3 LYS A 6 8.245 0.187 -14.103 1.00 2.38 H new ATOM 92 N TYR A 7 8.883 -0.119 -7.980 1.00 0.30 N ATOM 93 CA TYR A 7 9.164 -1.350 -7.247 1.00 0.29 C ATOM 94 C TYR A 7 8.235 -2.476 -7.694 1.00 0.30 C ATOM 95 O TYR A 7 7.106 -2.230 -8.117 1.00 0.42 O ATOM 96 CB TYR A 7 9.020 -1.106 -5.747 1.00 0.34 C ATOM 97 CG TYR A 7 9.779 0.111 -5.268 1.00 0.49 C ATOM 98 CD1 TYR A 7 11.158 0.191 -5.414 1.00 0.70 C ATOM 99 CD2 TYR A 7 9.118 1.182 -4.680 1.00 0.77 C ATOM 100 CE1 TYR A 7 11.858 1.301 -4.985 1.00 0.89 C ATOM 101 CE2 TYR A 7 9.811 2.296 -4.248 1.00 0.93 C ATOM 102 CZ TYR A 7 11.179 2.351 -4.403 1.00 0.91 C ATOM 103 OH TYR A 7 11.874 3.458 -3.975 1.00 1.13 O ATOM 0 H TYR A 7 7.971 0.291 -7.779 1.00 0.30 H new ATOM 0 HA TYR A 7 10.189 -1.654 -7.462 1.00 0.29 H new ATOM 0 HB2 TYR A 7 7.964 -0.987 -5.504 1.00 0.34 H new ATOM 0 HB3 TYR A 7 9.374 -1.984 -5.207 1.00 0.34 H new ATOM 0 HD1 TYR A 7 11.692 -0.629 -5.871 1.00 0.70 H new ATOM 0 HD2 TYR A 7 8.046 1.143 -4.559 1.00 0.77 H new ATOM 0 HE1 TYR A 7 12.930 1.347 -5.104 1.00 0.89 H new ATOM 0 HE2 TYR A 7 9.283 3.120 -3.791 1.00 0.93 H new ATOM 0 HH TYR A 7 12.237 3.936 -4.750 1.00 1.13 H new ATOM 113 N GLN A 8 8.719 -3.712 -7.599 1.00 0.31 N ATOM 114 CA GLN A 8 7.940 -4.875 -8.008 1.00 0.35 C ATOM 115 C GLN A 8 7.772 -5.859 -6.858 1.00 0.35 C ATOM 116 O GLN A 8 8.750 -6.294 -6.252 1.00 0.38 O ATOM 117 CB GLN A 8 8.624 -5.573 -9.186 1.00 0.44 C ATOM 118 CG GLN A 8 7.909 -6.829 -9.662 1.00 0.41 C ATOM 119 CD GLN A 8 6.510 -6.552 -10.173 1.00 0.92 C ATOM 120 OE1 GLN A 8 6.302 -5.358 -10.710 1.00 1.39 O flip ATOM 121 NE2 GLN A 8 5.627 -7.405 -10.088 1.00 1.23 N flip ATOM 0 H GLN A 8 9.648 -3.933 -7.242 1.00 0.31 H new ATOM 0 HA GLN A 8 6.951 -4.529 -8.310 1.00 0.35 H new ATOM 0 HB2 GLN A 8 8.697 -4.872 -10.017 1.00 0.44 H new ATOM 0 HB3 GLN A 8 9.642 -5.834 -8.899 1.00 0.44 H new ATOM 0 HG2 GLN A 8 8.494 -7.296 -10.454 1.00 0.41 H new ATOM 0 HG3 GLN A 8 7.856 -7.544 -8.841 1.00 0.41 H new ATOM 0 HE21 GLN A 8 5.832 -8.311 -9.667 1.00 1.23 H new ATOM 0 HE22 GLN A 8 4.690 -7.206 -10.439 1.00 1.23 H new ATOM 128 N VAL A 9 6.524 -6.212 -6.568 1.00 0.40 N ATOM 129 CA VAL A 9 6.229 -7.159 -5.500 1.00 0.45 C ATOM 130 C VAL A 9 6.696 -8.556 -5.896 1.00 0.52 C ATOM 131 O VAL A 9 6.607 -8.939 -7.062 1.00 0.67 O ATOM 132 CB VAL A 9 4.722 -7.201 -5.188 1.00 0.56 C ATOM 133 CG1 VAL A 9 4.444 -8.108 -3.998 1.00 1.18 C ATOM 134 CG2 VAL A 9 4.190 -5.799 -4.936 1.00 1.24 C ATOM 0 H VAL A 9 5.702 -5.857 -7.057 1.00 0.40 H new ATOM 0 HA VAL A 9 6.760 -6.827 -4.608 1.00 0.45 H new ATOM 0 HB VAL A 9 4.203 -7.612 -6.054 1.00 0.56 H new ATOM 0 HG11 VAL A 9 3.373 -8.123 -3.795 1.00 1.18 H new ATOM 0 HG12 VAL A 9 4.785 -9.118 -4.223 1.00 1.18 H new ATOM 0 HG13 VAL A 9 4.974 -7.733 -3.123 1.00 1.18 H new ATOM 0 HG21 VAL A 9 3.123 -5.848 -4.717 1.00 1.24 H new ATOM 0 HG22 VAL A 9 4.714 -5.358 -4.088 1.00 1.24 H new ATOM 0 HG23 VAL A 9 4.351 -5.184 -5.822 1.00 1.24 H new ATOM 138 N GLN A 10 7.197 -9.313 -4.925 1.00 0.50 N ATOM 139 CA GLN A 10 7.688 -10.658 -5.190 1.00 0.61 C ATOM 140 C GLN A 10 6.834 -11.718 -4.501 1.00 0.72 C ATOM 141 O GLN A 10 6.535 -12.760 -5.086 1.00 1.01 O ATOM 142 CB GLN A 10 9.140 -10.774 -4.732 1.00 0.71 C ATOM 143 CG GLN A 10 10.111 -9.971 -5.583 1.00 0.90 C ATOM 144 CD GLN A 10 11.559 -10.194 -5.190 1.00 1.52 C ATOM 145 OE1 GLN A 10 12.059 -9.370 -4.275 1.00 2.20 O flip ATOM 146 NE2 GLN A 10 12.221 -11.095 -5.702 1.00 2.11 N flip ATOM 0 H GLN A 10 7.273 -9.018 -3.951 1.00 0.50 H new ATOM 0 HA GLN A 10 7.626 -10.834 -6.264 1.00 0.61 H new ATOM 0 HB2 GLN A 10 9.214 -10.440 -3.697 1.00 0.71 H new ATOM 0 HB3 GLN A 10 9.435 -11.823 -4.750 1.00 0.71 H new ATOM 0 HG2 GLN A 10 9.978 -10.241 -6.631 1.00 0.90 H new ATOM 0 HG3 GLN A 10 9.874 -8.911 -5.494 1.00 0.90 H new ATOM 0 HE21 GLN A 10 11.797 -11.705 -6.401 1.00 2.11 H new ATOM 0 HE22 GLN A 10 13.194 -11.232 -5.428 1.00 2.11 H new ATOM 153 N SER A 11 6.442 -11.451 -3.258 1.00 0.56 N ATOM 154 CA SER A 11 5.633 -12.397 -2.492 1.00 0.70 C ATOM 155 C SER A 11 5.102 -11.765 -1.207 1.00 0.54 C ATOM 156 O SER A 11 5.523 -10.677 -0.815 1.00 0.54 O ATOM 157 CB SER A 11 6.455 -13.641 -2.158 1.00 0.97 C ATOM 158 OG SER A 11 5.683 -14.586 -1.436 1.00 1.72 O ATOM 0 H SER A 11 6.670 -10.590 -2.760 1.00 0.56 H new ATOM 0 HA SER A 11 4.779 -12.680 -3.107 1.00 0.70 H new ATOM 0 HB2 SER A 11 6.823 -14.095 -3.078 1.00 0.97 H new ATOM 0 HB3 SER A 11 7.328 -13.356 -1.571 1.00 0.97 H new ATOM 0 HG SER A 11 6.232 -15.373 -1.237 1.00 1.72 H new ATOM 164 N GLN A 12 4.171 -12.461 -0.558 1.00 0.56 N ATOM 165 CA GLN A 12 3.574 -11.986 0.688 1.00 0.50 C ATOM 166 C GLN A 12 3.279 -13.154 1.630 1.00 0.46 C ATOM 167 O GLN A 12 2.723 -14.170 1.213 1.00 0.59 O ATOM 168 CB GLN A 12 2.287 -11.211 0.394 1.00 0.70 C ATOM 169 CG GLN A 12 1.391 -11.013 1.611 1.00 0.85 C ATOM 170 CD GLN A 12 1.961 -10.017 2.604 1.00 0.99 C ATOM 171 OE1 GLN A 12 2.625 -9.058 2.221 1.00 2.01 O ATOM 172 NE2 GLN A 12 1.701 -10.246 3.889 1.00 0.82 N ATOM 0 H GLN A 12 3.812 -13.361 -0.877 1.00 0.56 H new ATOM 0 HA GLN A 12 4.287 -11.322 1.177 1.00 0.50 H new ATOM 0 HB2 GLN A 12 2.548 -10.235 -0.015 1.00 0.70 H new ATOM 0 HB3 GLN A 12 1.725 -11.739 -0.376 1.00 0.70 H new ATOM 0 HG2 GLN A 12 0.410 -10.671 1.282 1.00 0.85 H new ATOM 0 HG3 GLN A 12 1.244 -11.972 2.108 1.00 0.85 H new ATOM 0 HE21 GLN A 12 1.144 -11.057 4.160 1.00 0.82 H new ATOM 0 HE22 GLN A 12 2.058 -9.611 4.603 1.00 0.82 H new ATOM 179 N GLU A 13 3.652 -13.001 2.899 1.00 0.47 N ATOM 180 CA GLU A 13 3.421 -14.042 3.898 1.00 0.52 C ATOM 181 C GLU A 13 2.166 -13.740 4.715 1.00 0.45 C ATOM 182 O GLU A 13 1.919 -12.591 5.081 1.00 0.47 O ATOM 183 CB GLU A 13 4.632 -14.169 4.827 1.00 0.71 C ATOM 184 CG GLU A 13 4.974 -12.882 5.563 1.00 1.16 C ATOM 185 CD GLU A 13 6.110 -13.059 6.551 1.00 1.72 C ATOM 186 OE1 GLU A 13 7.279 -12.891 6.147 1.00 2.39 O ATOM 187 OE2 GLU A 13 5.830 -13.367 7.729 1.00 2.07 O ATOM 0 H GLU A 13 4.115 -12.167 3.259 1.00 0.47 H new ATOM 0 HA GLU A 13 3.276 -14.987 3.375 1.00 0.52 H new ATOM 0 HB2 GLU A 13 4.438 -14.955 5.557 1.00 0.71 H new ATOM 0 HB3 GLU A 13 5.496 -14.484 4.242 1.00 0.71 H new ATOM 0 HG2 GLU A 13 5.244 -12.114 4.838 1.00 1.16 H new ATOM 0 HG3 GLU A 13 4.090 -12.524 6.091 1.00 1.16 H new ATOM 194 N ASN A 14 1.380 -14.777 5.002 1.00 0.47 N ATOM 195 CA ASN A 14 0.145 -14.619 5.770 1.00 0.52 C ATOM 196 C ASN A 14 -0.809 -13.654 5.073 1.00 0.56 C ATOM 197 O ASN A 14 -0.714 -12.440 5.251 1.00 0.92 O ATOM 198 CB ASN A 14 0.446 -14.113 7.183 1.00 0.62 C ATOM 199 CG ASN A 14 1.144 -15.153 8.040 1.00 1.26 C ATOM 200 OD1 ASN A 14 1.880 -16.000 7.533 1.00 1.88 O ATOM 201 ND2 ASN A 14 0.915 -15.090 9.346 1.00 1.78 N ATOM 0 H ASN A 14 1.576 -15.736 4.714 1.00 0.47 H new ATOM 0 HA ASN A 14 -0.330 -15.598 5.837 1.00 0.52 H new ATOM 0 HB2 ASN A 14 1.070 -13.221 7.120 1.00 0.62 H new ATOM 0 HB3 ASN A 14 -0.486 -13.817 7.665 1.00 0.62 H new ATOM 0 HD21 ASN A 14 1.357 -15.761 9.974 1.00 1.78 H new ATOM 0 HD22 ASN A 14 0.297 -14.370 9.721 1.00 1.78 H new ATOM 206 N PHE A 15 -1.726 -14.197 4.279 1.00 0.52 N ATOM 207 CA PHE A 15 -2.689 -13.377 3.564 1.00 0.59 C ATOM 208 C PHE A 15 -4.122 -13.782 3.911 1.00 0.59 C ATOM 209 O PHE A 15 -4.988 -12.928 4.074 1.00 0.66 O ATOM 210 CB PHE A 15 -2.454 -13.505 2.059 1.00 0.73 C ATOM 211 CG PHE A 15 -2.815 -12.272 1.275 1.00 1.40 C ATOM 212 CD1 PHE A 15 -4.080 -11.714 1.388 1.00 2.40 C ATOM 213 CD2 PHE A 15 -1.896 -11.671 0.428 1.00 1.85 C ATOM 214 CE1 PHE A 15 -4.421 -10.584 0.671 1.00 3.26 C ATOM 215 CE2 PHE A 15 -2.234 -10.540 -0.294 1.00 2.66 C ATOM 216 CZ PHE A 15 -3.467 -9.989 -0.174 1.00 3.24 C ATOM 0 H PHE A 15 -1.820 -15.200 4.117 1.00 0.52 H new ATOM 0 HA PHE A 15 -2.552 -12.339 3.866 1.00 0.59 H new ATOM 0 HB2 PHE A 15 -1.404 -13.739 1.884 1.00 0.73 H new ATOM 0 HB3 PHE A 15 -3.035 -14.346 1.681 1.00 0.73 H new ATOM 0 HD1 PHE A 15 -4.807 -12.169 2.045 1.00 2.40 H new ATOM 0 HD2 PHE A 15 -0.905 -12.090 0.331 1.00 1.85 H new ATOM 0 HE1 PHE A 15 -5.411 -10.161 0.758 1.00 3.26 H new ATOM 0 HE2 PHE A 15 -1.510 -10.093 -0.959 1.00 2.66 H new ATOM 0 HZ PHE A 15 -3.716 -9.095 -0.726 1.00 3.24 H new ATOM 226 N GLU A 16 -4.357 -15.088 4.028 1.00 0.65 N ATOM 227 CA GLU A 16 -5.686 -15.614 4.351 1.00 0.72 C ATOM 228 C GLU A 16 -6.282 -14.968 5.610 1.00 0.62 C ATOM 229 O GLU A 16 -7.440 -14.551 5.600 1.00 0.68 O ATOM 230 CB GLU A 16 -5.629 -17.134 4.528 1.00 0.86 C ATOM 231 CG GLU A 16 -5.289 -17.886 3.252 1.00 1.03 C ATOM 232 CD GLU A 16 -6.332 -17.694 2.168 1.00 1.53 C ATOM 233 OE1 GLU A 16 -6.205 -16.726 1.389 1.00 1.96 O ATOM 234 OE2 GLU A 16 -7.275 -18.511 2.099 1.00 1.92 O ATOM 0 H GLU A 16 -3.642 -15.805 3.904 1.00 0.65 H new ATOM 0 HA GLU A 16 -6.337 -15.365 3.513 1.00 0.72 H new ATOM 0 HB2 GLU A 16 -4.887 -17.375 5.289 1.00 0.86 H new ATOM 0 HB3 GLU A 16 -6.592 -17.484 4.900 1.00 0.86 H new ATOM 0 HG2 GLU A 16 -4.320 -17.549 2.883 1.00 1.03 H new ATOM 0 HG3 GLU A 16 -5.193 -18.949 3.475 1.00 1.03 H new ATOM 241 N PRO A 17 -5.522 -14.882 6.723 1.00 0.54 N ATOM 242 CA PRO A 17 -6.032 -14.279 7.958 1.00 0.52 C ATOM 243 C PRO A 17 -6.242 -12.772 7.828 1.00 0.45 C ATOM 244 O PRO A 17 -7.231 -12.229 8.321 1.00 0.50 O ATOM 245 CB PRO A 17 -4.937 -14.579 8.985 1.00 0.59 C ATOM 246 CG PRO A 17 -3.698 -14.759 8.181 1.00 0.72 C ATOM 247 CD PRO A 17 -4.133 -15.361 6.874 1.00 0.59 C ATOM 0 HA PRO A 17 -7.009 -14.680 8.229 1.00 0.52 H new ATOM 0 HB2 PRO A 17 -4.830 -13.762 9.699 1.00 0.59 H new ATOM 0 HB3 PRO A 17 -5.169 -15.476 9.560 1.00 0.59 H new ATOM 0 HG2 PRO A 17 -3.194 -13.805 8.022 1.00 0.72 H new ATOM 0 HG3 PRO A 17 -2.991 -15.411 8.694 1.00 0.72 H new ATOM 0 HD2 PRO A 17 -3.502 -15.030 6.049 1.00 0.59 H new ATOM 0 HD3 PRO A 17 -4.083 -16.450 6.897 1.00 0.59 H new ATOM 255 N PHE A 18 -5.311 -12.106 7.156 1.00 0.44 N ATOM 256 CA PHE A 18 -5.385 -10.660 6.962 1.00 0.54 C ATOM 257 C PHE A 18 -6.598 -10.270 6.113 1.00 0.62 C ATOM 258 O PHE A 18 -7.377 -9.398 6.496 1.00 0.68 O ATOM 259 CB PHE A 18 -4.097 -10.152 6.307 1.00 0.65 C ATOM 260 CG PHE A 18 -3.922 -8.664 6.403 1.00 0.90 C ATOM 261 CD1 PHE A 18 -3.449 -8.084 7.570 1.00 1.08 C ATOM 262 CD2 PHE A 18 -4.227 -7.844 5.329 1.00 1.08 C ATOM 263 CE1 PHE A 18 -3.286 -6.715 7.664 1.00 1.36 C ATOM 264 CE2 PHE A 18 -4.065 -6.474 5.416 1.00 1.35 C ATOM 265 CZ PHE A 18 -3.594 -5.910 6.586 1.00 1.46 C ATOM 0 H PHE A 18 -4.492 -12.545 6.734 1.00 0.44 H new ATOM 0 HA PHE A 18 -5.500 -10.195 7.941 1.00 0.54 H new ATOM 0 HB2 PHE A 18 -3.243 -10.641 6.776 1.00 0.65 H new ATOM 0 HB3 PHE A 18 -4.094 -10.443 5.257 1.00 0.65 H new ATOM 0 HD1 PHE A 18 -3.205 -8.710 8.416 1.00 1.08 H new ATOM 0 HD2 PHE A 18 -4.596 -8.280 4.413 1.00 1.08 H new ATOM 0 HE1 PHE A 18 -2.918 -6.276 8.579 1.00 1.36 H new ATOM 0 HE2 PHE A 18 -4.306 -5.846 4.571 1.00 1.35 H new ATOM 0 HZ PHE A 18 -3.467 -4.840 6.657 1.00 1.46 H new ATOM 275 N MET A 19 -6.748 -10.921 4.961 1.00 0.68 N ATOM 276 CA MET A 19 -7.860 -10.637 4.055 1.00 0.83 C ATOM 277 C MET A 19 -9.206 -10.837 4.744 1.00 0.81 C ATOM 278 O MET A 19 -10.145 -10.075 4.518 1.00 0.90 O ATOM 279 CB MET A 19 -7.769 -11.523 2.811 1.00 0.96 C ATOM 280 CG MET A 19 -7.745 -13.013 3.108 1.00 1.91 C ATOM 281 SD MET A 19 -9.394 -13.724 3.270 1.00 3.37 S ATOM 282 CE MET A 19 -9.023 -15.474 3.174 1.00 4.48 C ATOM 0 H MET A 19 -6.113 -11.649 4.633 1.00 0.68 H new ATOM 0 HA MET A 19 -7.788 -9.591 3.756 1.00 0.83 H new ATOM 0 HB2 MET A 19 -8.618 -11.307 2.162 1.00 0.96 H new ATOM 0 HB3 MET A 19 -6.868 -11.260 2.256 1.00 0.96 H new ATOM 0 HG2 MET A 19 -7.210 -13.528 2.311 1.00 1.91 H new ATOM 0 HG3 MET A 19 -7.188 -13.186 4.029 1.00 1.91 H new ATOM 0 HE1 MET A 19 -9.948 -16.036 3.045 1.00 4.48 H new ATOM 0 HE2 MET A 19 -8.364 -15.660 2.326 1.00 4.48 H new ATOM 0 HE3 MET A 19 -8.531 -15.793 4.093 1.00 4.48 H new ATOM 292 N LYS A 20 -9.297 -11.864 5.581 1.00 0.73 N ATOM 293 CA LYS A 20 -10.533 -12.153 6.298 1.00 0.79 C ATOM 294 C LYS A 20 -10.862 -11.035 7.281 1.00 0.72 C ATOM 295 O LYS A 20 -12.017 -10.638 7.422 1.00 0.79 O ATOM 296 CB LYS A 20 -10.419 -13.485 7.038 1.00 0.85 C ATOM 297 CG LYS A 20 -10.870 -14.680 6.216 1.00 1.02 C ATOM 298 CD LYS A 20 -10.933 -15.945 7.057 1.00 1.37 C ATOM 299 CE LYS A 20 -11.361 -17.144 6.226 1.00 1.63 C ATOM 300 NZ LYS A 20 -11.484 -18.376 7.053 1.00 2.27 N ATOM 0 H LYS A 20 -8.532 -12.509 5.779 1.00 0.73 H new ATOM 0 HA LYS A 20 -11.341 -12.221 5.569 1.00 0.79 H new ATOM 0 HB2 LYS A 20 -9.383 -13.634 7.342 1.00 0.85 H new ATOM 0 HB3 LYS A 20 -11.015 -13.436 7.950 1.00 0.85 H new ATOM 0 HG2 LYS A 20 -11.852 -14.478 5.787 1.00 1.02 H new ATOM 0 HG3 LYS A 20 -10.183 -14.830 5.383 1.00 1.02 H new ATOM 0 HD2 LYS A 20 -9.956 -16.138 7.500 1.00 1.37 H new ATOM 0 HD3 LYS A 20 -11.634 -15.802 7.880 1.00 1.37 H new ATOM 0 HE2 LYS A 20 -12.317 -16.931 5.747 1.00 1.63 H new ATOM 0 HE3 LYS A 20 -10.636 -17.312 5.430 1.00 1.63 H new ATOM 0 HZ1 LYS A 20 -11.778 -19.171 6.450 1.00 2.27 H new ATOM 0 HZ2 LYS A 20 -10.566 -18.594 7.490 1.00 2.27 H new ATOM 0 HZ3 LYS A 20 -12.195 -18.225 7.797 1.00 2.27 H new ATOM 314 N ALA A 21 -9.835 -10.533 7.958 1.00 0.64 N ATOM 315 CA ALA A 21 -10.010 -9.459 8.929 1.00 0.64 C ATOM 316 C ALA A 21 -10.366 -8.146 8.239 1.00 0.65 C ATOM 317 O ALA A 21 -10.780 -7.186 8.887 1.00 0.85 O ATOM 318 CB ALA A 21 -8.749 -9.294 9.765 1.00 0.67 C ATOM 0 H ALA A 21 -8.872 -10.853 7.852 1.00 0.64 H new ATOM 0 HA ALA A 21 -10.837 -9.728 9.587 1.00 0.64 H new ATOM 0 HB1 ALA A 21 -8.893 -8.489 10.486 1.00 0.67 H new ATOM 0 HB2 ALA A 21 -8.540 -10.223 10.295 1.00 0.67 H new ATOM 0 HB3 ALA A 21 -7.910 -9.052 9.113 1.00 0.67 H new ATOM 324 N MET A 22 -10.200 -8.112 6.919 1.00 0.66 N ATOM 325 CA MET A 22 -10.505 -6.917 6.139 1.00 0.72 C ATOM 326 C MET A 22 -11.812 -7.089 5.372 1.00 0.74 C ATOM 327 O MET A 22 -12.843 -6.530 5.750 1.00 0.90 O ATOM 328 CB MET A 22 -9.362 -6.616 5.166 1.00 0.75 C ATOM 329 CG MET A 22 -9.632 -5.432 4.248 1.00 0.88 C ATOM 330 SD MET A 22 -9.991 -3.914 5.153 1.00 1.45 S ATOM 331 CE MET A 22 -8.456 -3.676 6.043 1.00 2.05 C ATOM 0 H MET A 22 -9.856 -8.898 6.368 1.00 0.66 H new ATOM 0 HA MET A 22 -10.617 -6.079 6.827 1.00 0.72 H new ATOM 0 HB2 MET A 22 -8.454 -6.422 5.736 1.00 0.75 H new ATOM 0 HB3 MET A 22 -9.173 -7.500 4.557 1.00 0.75 H new ATOM 0 HG2 MET A 22 -8.766 -5.271 3.606 1.00 0.88 H new ATOM 0 HG3 MET A 22 -10.473 -5.668 3.596 1.00 0.88 H new ATOM 0 HE1 MET A 22 -8.647 -3.716 7.115 1.00 2.05 H new ATOM 0 HE2 MET A 22 -7.752 -4.462 5.771 1.00 2.05 H new ATOM 0 HE3 MET A 22 -8.033 -2.705 5.786 1.00 2.05 H new ATOM 341 N GLY A 23 -11.761 -7.864 4.295 1.00 0.79 N ATOM 342 CA GLY A 23 -12.944 -8.099 3.487 1.00 0.85 C ATOM 343 C GLY A 23 -12.602 -8.662 2.121 1.00 0.84 C ATOM 344 O GLY A 23 -13.466 -8.768 1.251 1.00 0.97 O ATOM 0 H GLY A 23 -10.919 -8.336 3.966 1.00 0.79 H new ATOM 0 HA2 GLY A 23 -13.606 -8.791 4.008 1.00 0.85 H new ATOM 0 HA3 GLY A 23 -13.491 -7.164 3.366 1.00 0.85 H new ATOM 348 N LEU A 24 -11.336 -9.023 1.937 1.00 0.77 N ATOM 349 CA LEU A 24 -10.872 -9.576 0.672 1.00 0.78 C ATOM 350 C LEU A 24 -11.167 -11.075 0.603 1.00 0.71 C ATOM 351 O LEU A 24 -10.664 -11.847 1.415 1.00 0.68 O ATOM 352 CB LEU A 24 -9.365 -9.325 0.514 1.00 0.78 C ATOM 353 CG LEU A 24 -8.854 -9.197 -0.927 1.00 0.89 C ATOM 354 CD1 LEU A 24 -9.239 -10.413 -1.749 1.00 1.45 C ATOM 355 CD2 LEU A 24 -9.386 -7.925 -1.571 1.00 1.26 C ATOM 0 H LEU A 24 -10.612 -8.942 2.651 1.00 0.77 H new ATOM 0 HA LEU A 24 -11.403 -9.082 -0.142 1.00 0.78 H new ATOM 0 HB2 LEU A 24 -9.110 -8.412 1.052 1.00 0.78 H new ATOM 0 HB3 LEU A 24 -8.828 -10.140 0.998 1.00 0.78 H new ATOM 0 HG LEU A 24 -7.766 -9.140 -0.897 1.00 0.89 H new ATOM 0 HD11 LEU A 24 -8.865 -10.298 -2.766 1.00 1.45 H new ATOM 0 HD12 LEU A 24 -8.804 -11.307 -1.302 1.00 1.45 H new ATOM 0 HD13 LEU A 24 -10.325 -10.509 -1.770 1.00 1.45 H new ATOM 0 HD21 LEU A 24 -9.013 -7.851 -2.593 1.00 1.26 H new ATOM 0 HD22 LEU A 24 -10.476 -7.952 -1.583 1.00 1.26 H new ATOM 0 HD23 LEU A 24 -9.051 -7.060 -0.999 1.00 1.26 H new ATOM 361 N PRO A 25 -11.990 -11.508 -0.371 1.00 0.76 N ATOM 362 CA PRO A 25 -12.341 -12.924 -0.531 1.00 0.74 C ATOM 363 C PRO A 25 -11.141 -13.776 -0.936 1.00 0.67 C ATOM 364 O PRO A 25 -10.397 -13.420 -1.850 1.00 0.67 O ATOM 365 CB PRO A 25 -13.385 -12.912 -1.650 1.00 0.85 C ATOM 366 CG PRO A 25 -13.105 -11.663 -2.408 1.00 0.94 C ATOM 367 CD PRO A 25 -12.645 -10.664 -1.389 1.00 0.89 C ATOM 0 HA PRO A 25 -12.701 -13.359 0.401 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -13.294 -13.792 -2.287 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -14.398 -12.913 -1.248 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -12.340 -11.829 -3.167 1.00 0.94 H new ATOM 0 HG3 PRO A 25 -13.997 -11.311 -2.926 1.00 0.94 H new ATOM 0 HD2 PRO A 25 -11.954 -9.939 -1.818 1.00 0.89 H new ATOM 0 HD3 PRO A 25 -13.479 -10.101 -0.971 1.00 0.89 H new ATOM 375 N GLU A 26 -10.978 -14.908 -0.257 1.00 0.64 N ATOM 376 CA GLU A 26 -9.883 -15.825 -0.519 1.00 0.60 C ATOM 377 C GLU A 26 -9.768 -16.175 -2.002 1.00 0.60 C ATOM 378 O GLU A 26 -8.670 -16.417 -2.500 1.00 0.59 O ATOM 379 CB GLU A 26 -10.091 -17.091 0.309 1.00 0.64 C ATOM 380 CG GLU A 26 -11.171 -18.016 -0.228 1.00 1.42 C ATOM 381 CD GLU A 26 -10.629 -19.051 -1.196 1.00 1.61 C ATOM 382 OE1 GLU A 26 -9.848 -19.920 -0.759 1.00 1.99 O ATOM 383 OE2 GLU A 26 -10.983 -18.987 -2.392 1.00 1.74 O ATOM 0 H GLU A 26 -11.603 -15.212 0.489 1.00 0.64 H new ATOM 0 HA GLU A 26 -8.951 -15.337 -0.235 1.00 0.60 H new ATOM 0 HB2 GLU A 26 -9.150 -17.639 0.357 1.00 0.64 H new ATOM 0 HB3 GLU A 26 -10.347 -16.806 1.330 1.00 0.64 H new ATOM 0 HG2 GLU A 26 -11.656 -18.524 0.606 1.00 1.42 H new ATOM 0 HG3 GLU A 26 -11.936 -17.422 -0.728 1.00 1.42 H new ATOM 390 N ASP A 27 -10.896 -16.192 -2.706 1.00 0.65 N ATOM 391 CA ASP A 27 -10.893 -16.519 -4.129 1.00 0.70 C ATOM 392 C ASP A 27 -10.093 -15.494 -4.930 1.00 0.70 C ATOM 393 O ASP A 27 -9.334 -15.854 -5.828 1.00 0.71 O ATOM 394 CB ASP A 27 -12.324 -16.607 -4.666 1.00 0.80 C ATOM 395 CG ASP A 27 -13.145 -15.373 -4.351 1.00 1.44 C ATOM 396 OD1 ASP A 27 -12.934 -14.334 -5.009 1.00 1.62 O ATOM 397 OD2 ASP A 27 -14.003 -15.448 -3.446 1.00 2.29 O ATOM 0 H ASP A 27 -11.817 -15.985 -2.319 1.00 0.65 H new ATOM 0 HA ASP A 27 -10.414 -17.491 -4.244 1.00 0.70 H new ATOM 0 HB2 ASP A 27 -12.294 -16.752 -5.746 1.00 0.80 H new ATOM 0 HB3 ASP A 27 -12.814 -17.483 -4.240 1.00 0.80 H new ATOM 402 N LEU A 28 -10.268 -14.218 -4.599 1.00 0.73 N ATOM 403 CA LEU A 28 -9.564 -13.145 -5.286 1.00 0.78 C ATOM 404 C LEU A 28 -8.068 -13.182 -4.983 1.00 0.74 C ATOM 405 O LEU A 28 -7.243 -12.947 -5.867 1.00 0.77 O ATOM 406 CB LEU A 28 -10.155 -11.793 -4.884 1.00 0.90 C ATOM 407 CG LEU A 28 -9.726 -10.612 -5.753 1.00 1.08 C ATOM 408 CD1 LEU A 28 -10.808 -9.543 -5.769 1.00 1.65 C ATOM 409 CD2 LEU A 28 -8.411 -10.025 -5.260 1.00 1.60 C ATOM 0 H LEU A 28 -10.893 -13.903 -3.857 1.00 0.73 H new ATOM 0 HA LEU A 28 -9.690 -13.286 -6.359 1.00 0.78 H new ATOM 0 HB2 LEU A 28 -11.242 -11.867 -4.911 1.00 0.90 H new ATOM 0 HB3 LEU A 28 -9.875 -11.585 -3.851 1.00 0.90 H new ATOM 0 HG LEU A 28 -9.578 -10.976 -6.770 1.00 1.08 H new ATOM 0 HD11 LEU A 28 -10.486 -8.709 -6.393 1.00 1.65 H new ATOM 0 HD12 LEU A 28 -11.729 -9.964 -6.173 1.00 1.65 H new ATOM 0 HD13 LEU A 28 -10.985 -9.189 -4.753 1.00 1.65 H new ATOM 0 HD21 LEU A 28 -8.127 -9.186 -5.895 1.00 1.60 H new ATOM 0 HD22 LEU A 28 -8.529 -9.680 -4.233 1.00 1.60 H new ATOM 0 HD23 LEU A 28 -7.634 -10.789 -5.299 1.00 1.60 H new ATOM 415 N ILE A 29 -7.724 -13.482 -3.735 1.00 0.70 N ATOM 416 CA ILE A 29 -6.325 -13.543 -3.319 1.00 0.72 C ATOM 417 C ILE A 29 -5.551 -14.589 -4.110 1.00 0.66 C ATOM 418 O ILE A 29 -4.411 -14.358 -4.502 1.00 0.70 O ATOM 419 CB ILE A 29 -6.196 -13.856 -1.819 1.00 0.76 C ATOM 420 CG1 ILE A 29 -6.750 -12.702 -0.987 1.00 1.01 C ATOM 421 CG2 ILE A 29 -4.743 -14.130 -1.445 1.00 0.90 C ATOM 422 CD1 ILE A 29 -7.908 -13.105 -0.112 1.00 1.27 C ATOM 0 H ILE A 29 -8.394 -13.687 -2.993 1.00 0.70 H new ATOM 0 HA ILE A 29 -5.901 -12.559 -3.518 1.00 0.72 H new ATOM 0 HB ILE A 29 -6.778 -14.753 -1.606 1.00 0.76 H new ATOM 0 HG12 ILE A 29 -5.954 -12.298 -0.362 1.00 1.01 H new ATOM 0 HG13 ILE A 29 -7.068 -11.901 -1.654 1.00 1.01 H new ATOM 0 HG21 ILE A 29 -4.677 -14.349 -0.379 1.00 0.90 H new ATOM 0 HG22 ILE A 29 -4.376 -14.984 -2.014 1.00 0.90 H new ATOM 0 HG23 ILE A 29 -4.137 -13.253 -1.674 1.00 0.90 H new ATOM 0 HD11 ILE A 29 -8.255 -12.240 0.453 1.00 1.27 H new ATOM 0 HD12 ILE A 29 -8.720 -13.482 -0.734 1.00 1.27 H new ATOM 0 HD13 ILE A 29 -7.588 -13.885 0.579 1.00 1.27 H new ATOM 426 N GLN A 30 -6.175 -15.741 -4.339 1.00 0.61 N ATOM 427 CA GLN A 30 -5.527 -16.817 -5.083 1.00 0.62 C ATOM 428 C GLN A 30 -5.021 -16.318 -6.434 1.00 0.62 C ATOM 429 O GLN A 30 -3.882 -16.587 -6.817 1.00 0.64 O ATOM 430 CB GLN A 30 -6.493 -17.987 -5.282 1.00 0.68 C ATOM 431 CG GLN A 30 -6.953 -18.626 -3.981 1.00 0.73 C ATOM 432 CD GLN A 30 -5.798 -19.071 -3.103 1.00 0.99 C ATOM 433 OE1 GLN A 30 -5.307 -20.192 -3.226 1.00 1.44 O ATOM 434 NE2 GLN A 30 -5.363 -18.192 -2.205 1.00 1.08 N ATOM 0 H GLN A 30 -7.121 -15.953 -4.023 1.00 0.61 H new ATOM 0 HA GLN A 30 -4.672 -17.161 -4.502 1.00 0.62 H new ATOM 0 HB2 GLN A 30 -7.366 -17.637 -5.833 1.00 0.68 H new ATOM 0 HB3 GLN A 30 -6.010 -18.745 -5.898 1.00 0.68 H new ATOM 0 HG2 GLN A 30 -7.569 -17.915 -3.430 1.00 0.73 H new ATOM 0 HG3 GLN A 30 -7.584 -19.486 -4.207 1.00 0.73 H new ATOM 0 HE21 GLN A 30 -5.800 -17.273 -2.138 1.00 1.08 H new ATOM 0 HE22 GLN A 30 -4.592 -18.437 -1.583 1.00 1.08 H new ATOM 441 N LYS A 31 -5.870 -15.592 -7.153 1.00 0.65 N ATOM 442 CA LYS A 31 -5.496 -15.046 -8.454 1.00 0.72 C ATOM 443 C LYS A 31 -4.450 -13.945 -8.297 1.00 0.72 C ATOM 444 O LYS A 31 -3.596 -13.756 -9.163 1.00 0.76 O ATOM 445 CB LYS A 31 -6.724 -14.494 -9.183 1.00 0.86 C ATOM 446 CG LYS A 31 -7.618 -15.567 -9.786 1.00 1.19 C ATOM 447 CD LYS A 31 -8.425 -16.295 -8.723 1.00 1.49 C ATOM 448 CE LYS A 31 -9.387 -17.295 -9.345 1.00 2.17 C ATOM 449 NZ LYS A 31 -10.246 -17.954 -8.322 1.00 2.84 N ATOM 0 H LYS A 31 -6.820 -15.368 -6.858 1.00 0.65 H new ATOM 0 HA LYS A 31 -5.069 -15.855 -9.046 1.00 0.72 H new ATOM 0 HB2 LYS A 31 -7.310 -13.897 -8.485 1.00 0.86 H new ATOM 0 HB3 LYS A 31 -6.393 -13.824 -9.976 1.00 0.86 H new ATOM 0 HG2 LYS A 31 -8.296 -15.111 -10.508 1.00 1.19 H new ATOM 0 HG3 LYS A 31 -7.006 -16.285 -10.332 1.00 1.19 H new ATOM 0 HD2 LYS A 31 -7.749 -16.813 -8.042 1.00 1.49 H new ATOM 0 HD3 LYS A 31 -8.983 -15.572 -8.129 1.00 1.49 H new ATOM 0 HE2 LYS A 31 -10.017 -16.786 -10.074 1.00 2.17 H new ATOM 0 HE3 LYS A 31 -8.822 -18.053 -9.886 1.00 2.17 H new ATOM 0 HZ1 LYS A 31 -10.887 -18.628 -8.788 1.00 2.84 H new ATOM 0 HZ2 LYS A 31 -9.647 -18.461 -7.640 1.00 2.84 H new ATOM 0 HZ3 LYS A 31 -10.805 -17.234 -7.822 1.00 2.84 H new ATOM 463 N GLY A 32 -4.528 -13.223 -7.182 1.00 0.73 N ATOM 464 CA GLY A 32 -3.595 -12.138 -6.926 1.00 0.81 C ATOM 465 C GLY A 32 -2.176 -12.615 -6.678 1.00 0.76 C ATOM 466 O GLY A 32 -1.241 -12.157 -7.334 1.00 0.83 O ATOM 0 H GLY A 32 -5.222 -13.370 -6.449 1.00 0.73 H new ATOM 0 HA2 GLY A 32 -3.599 -11.456 -7.776 1.00 0.81 H new ATOM 0 HA3 GLY A 32 -3.937 -11.570 -6.061 1.00 0.81 H new ATOM 470 N LYS A 33 -2.012 -13.532 -5.729 1.00 0.72 N ATOM 471 CA LYS A 33 -0.693 -14.066 -5.393 1.00 0.76 C ATOM 472 C LYS A 33 -0.005 -14.661 -6.618 1.00 0.70 C ATOM 473 O LYS A 33 1.221 -14.633 -6.727 1.00 0.77 O ATOM 474 CB LYS A 33 -0.816 -15.124 -4.293 1.00 0.83 C ATOM 475 CG LYS A 33 -1.769 -16.259 -4.640 1.00 0.79 C ATOM 476 CD LYS A 33 -1.934 -17.223 -3.476 1.00 0.92 C ATOM 477 CE LYS A 33 -0.655 -18.001 -3.202 1.00 1.16 C ATOM 478 NZ LYS A 33 -0.765 -18.831 -1.970 1.00 1.82 N ATOM 0 H LYS A 33 -2.776 -13.922 -5.178 1.00 0.72 H new ATOM 0 HA LYS A 33 -0.080 -13.241 -5.031 1.00 0.76 H new ATOM 0 HB2 LYS A 33 0.171 -15.539 -4.089 1.00 0.83 H new ATOM 0 HB3 LYS A 33 -1.156 -14.644 -3.375 1.00 0.83 H new ATOM 0 HG2 LYS A 33 -2.741 -15.849 -4.915 1.00 0.79 H new ATOM 0 HG3 LYS A 33 -1.393 -16.798 -5.510 1.00 0.79 H new ATOM 0 HD2 LYS A 33 -2.221 -16.669 -2.582 1.00 0.92 H new ATOM 0 HD3 LYS A 33 -2.744 -17.919 -3.693 1.00 0.92 H new ATOM 0 HE2 LYS A 33 -0.431 -18.643 -4.054 1.00 1.16 H new ATOM 0 HE3 LYS A 33 0.178 -17.306 -3.099 1.00 1.16 H new ATOM 0 HZ1 LYS A 33 0.126 -19.346 -1.817 1.00 1.82 H new ATOM 0 HZ2 LYS A 33 -0.954 -18.216 -1.153 1.00 1.82 H new ATOM 0 HZ3 LYS A 33 -1.544 -19.512 -2.078 1.00 1.82 H new ATOM 492 N ASP A 34 -0.801 -15.198 -7.537 1.00 0.64 N ATOM 493 CA ASP A 34 -0.265 -15.796 -8.755 1.00 0.65 C ATOM 494 C ASP A 34 0.386 -14.736 -9.639 1.00 0.57 C ATOM 495 O ASP A 34 1.292 -15.035 -10.417 1.00 0.60 O ATOM 496 CB ASP A 34 -1.376 -16.511 -9.527 1.00 0.74 C ATOM 497 CG ASP A 34 -0.872 -17.154 -10.804 1.00 1.17 C ATOM 498 OD1 ASP A 34 -0.407 -18.312 -10.741 1.00 1.17 O ATOM 499 OD2 ASP A 34 -0.939 -16.500 -11.866 1.00 1.89 O ATOM 0 H ASP A 34 -1.818 -15.231 -7.462 1.00 0.64 H new ATOM 0 HA ASP A 34 0.496 -16.523 -8.471 1.00 0.65 H new ATOM 0 HB2 ASP A 34 -1.823 -17.275 -8.891 1.00 0.74 H new ATOM 0 HB3 ASP A 34 -2.163 -15.797 -9.769 1.00 0.74 H new ATOM 504 N ILE A 35 -0.080 -13.497 -9.510 1.00 0.52 N ATOM 505 CA ILE A 35 0.454 -12.389 -10.296 1.00 0.48 C ATOM 506 C ILE A 35 1.184 -11.383 -9.407 1.00 0.43 C ATOM 507 O ILE A 35 0.579 -10.757 -8.537 1.00 0.46 O ATOM 508 CB ILE A 35 -0.665 -11.661 -11.070 1.00 0.52 C ATOM 509 CG1 ILE A 35 -1.385 -12.635 -12.005 1.00 0.61 C ATOM 510 CG2 ILE A 35 -0.093 -10.486 -11.855 1.00 0.55 C ATOM 511 CD1 ILE A 35 -2.598 -12.040 -12.689 1.00 1.28 C ATOM 0 H ILE A 35 -0.828 -13.235 -8.867 1.00 0.52 H new ATOM 0 HA ILE A 35 1.160 -12.816 -11.008 1.00 0.48 H new ATOM 0 HB ILE A 35 -1.388 -11.273 -10.353 1.00 0.52 H new ATOM 0 HG12 ILE A 35 -0.684 -12.981 -12.765 1.00 0.61 H new ATOM 0 HG13 ILE A 35 -1.694 -13.511 -11.434 1.00 0.61 H new ATOM 0 HG21 ILE A 35 -0.896 -9.984 -12.395 1.00 0.55 H new ATOM 0 HG22 ILE A 35 0.377 -9.783 -11.167 1.00 0.55 H new ATOM 0 HG23 ILE A 35 0.650 -10.850 -12.565 1.00 0.55 H new ATOM 0 HD11 ILE A 35 -3.055 -12.789 -13.335 1.00 1.28 H new ATOM 0 HD12 ILE A 35 -3.319 -11.720 -11.937 1.00 1.28 H new ATOM 0 HD13 ILE A 35 -2.293 -11.182 -13.288 1.00 1.28 H new ATOM 515 N LYS A 36 2.485 -11.229 -9.639 1.00 0.40 N ATOM 516 CA LYS A 36 3.299 -10.297 -8.865 1.00 0.38 C ATOM 517 C LYS A 36 2.780 -8.871 -9.019 1.00 0.38 C ATOM 518 O LYS A 36 2.641 -8.367 -10.134 1.00 0.51 O ATOM 519 CB LYS A 36 4.759 -10.372 -9.313 1.00 0.41 C ATOM 520 CG LYS A 36 5.366 -11.757 -9.165 1.00 1.03 C ATOM 521 CD LYS A 36 6.792 -11.801 -9.689 1.00 1.53 C ATOM 522 CE LYS A 36 7.401 -13.183 -9.525 1.00 2.02 C ATOM 523 NZ LYS A 36 8.778 -13.256 -10.089 1.00 2.58 N ATOM 0 H LYS A 36 2.998 -11.739 -10.358 1.00 0.40 H new ATOM 0 HA LYS A 36 3.234 -10.578 -7.814 1.00 0.38 H new ATOM 0 HB2 LYS A 36 4.827 -10.063 -10.356 1.00 0.41 H new ATOM 0 HB3 LYS A 36 5.347 -9.662 -8.731 1.00 0.41 H new ATOM 0 HG2 LYS A 36 5.354 -12.050 -8.115 1.00 1.03 H new ATOM 0 HG3 LYS A 36 4.757 -12.482 -9.705 1.00 1.03 H new ATOM 0 HD2 LYS A 36 6.803 -11.520 -10.742 1.00 1.53 H new ATOM 0 HD3 LYS A 36 7.399 -11.069 -9.157 1.00 1.53 H new ATOM 0 HE2 LYS A 36 7.428 -13.444 -8.467 1.00 2.02 H new ATOM 0 HE3 LYS A 36 6.767 -13.920 -10.019 1.00 2.02 H new ATOM 0 HZ1 LYS A 36 9.157 -14.215 -9.957 1.00 2.58 H new ATOM 0 HZ2 LYS A 36 8.750 -13.032 -11.104 1.00 2.58 H new ATOM 0 HZ3 LYS A 36 9.390 -12.572 -9.601 1.00 2.58 H new ATOM 537 N GLY A 37 2.498 -8.225 -7.893 1.00 0.45 N ATOM 538 CA GLY A 37 1.992 -6.867 -7.918 1.00 0.49 C ATOM 539 C GLY A 37 3.017 -5.870 -8.421 1.00 0.40 C ATOM 540 O GLY A 37 4.221 -6.107 -8.326 1.00 0.39 O ATOM 0 H GLY A 37 2.612 -8.621 -6.960 1.00 0.45 H new ATOM 0 HA2 GLY A 37 1.108 -6.825 -8.554 1.00 0.49 H new ATOM 0 HA3 GLY A 37 1.677 -6.583 -6.914 1.00 0.49 H new ATOM 544 N VAL A 38 2.537 -4.752 -8.955 1.00 0.42 N ATOM 545 CA VAL A 38 3.417 -3.710 -9.473 1.00 0.40 C ATOM 546 C VAL A 38 3.144 -2.387 -8.766 1.00 0.40 C ATOM 547 O VAL A 38 1.991 -1.987 -8.608 1.00 0.48 O ATOM 548 CB VAL A 38 3.228 -3.520 -10.990 1.00 0.51 C ATOM 549 CG1 VAL A 38 4.391 -2.738 -11.582 1.00 0.67 C ATOM 550 CG2 VAL A 38 3.070 -4.866 -11.681 1.00 0.80 C ATOM 0 H VAL A 38 1.542 -4.544 -9.041 1.00 0.42 H new ATOM 0 HA VAL A 38 4.444 -4.024 -9.285 1.00 0.40 H new ATOM 0 HB VAL A 38 2.317 -2.945 -11.155 1.00 0.51 H new ATOM 0 HG11 VAL A 38 4.238 -2.615 -12.654 1.00 0.67 H new ATOM 0 HG12 VAL A 38 4.449 -1.758 -11.109 1.00 0.67 H new ATOM 0 HG13 VAL A 38 5.320 -3.280 -11.408 1.00 0.67 H new ATOM 0 HG21 VAL A 38 2.938 -4.712 -12.752 1.00 0.80 H new ATOM 0 HG22 VAL A 38 3.961 -5.470 -11.509 1.00 0.80 H new ATOM 0 HG23 VAL A 38 2.198 -5.382 -11.278 1.00 0.80 H new ATOM 554 N SER A 39 4.206 -1.708 -8.341 1.00 0.37 N ATOM 555 CA SER A 39 4.064 -0.437 -7.639 1.00 0.40 C ATOM 556 C SER A 39 5.046 0.611 -8.159 1.00 0.39 C ATOM 557 O SER A 39 6.174 0.291 -8.534 1.00 0.44 O ATOM 558 CB SER A 39 4.270 -0.638 -6.137 1.00 0.47 C ATOM 559 OG SER A 39 5.552 -1.175 -5.864 1.00 1.40 O ATOM 0 H SER A 39 5.170 -2.015 -8.470 1.00 0.37 H new ATOM 0 HA SER A 39 3.054 -0.072 -7.824 1.00 0.40 H new ATOM 0 HB2 SER A 39 4.154 0.315 -5.621 1.00 0.47 H new ATOM 0 HB3 SER A 39 3.502 -1.307 -5.748 1.00 0.47 H new ATOM 0 HG SER A 39 5.991 -1.418 -6.706 1.00 1.40 H new ATOM 565 N GLU A 40 4.599 1.863 -8.178 1.00 0.38 N ATOM 566 CA GLU A 40 5.423 2.978 -8.638 1.00 0.39 C ATOM 567 C GLU A 40 5.301 4.153 -7.672 1.00 0.39 C ATOM 568 O GLU A 40 4.218 4.422 -7.152 1.00 0.45 O ATOM 569 CB GLU A 40 4.996 3.409 -10.043 1.00 0.43 C ATOM 570 CG GLU A 40 5.791 4.578 -10.593 1.00 1.21 C ATOM 571 CD GLU A 40 5.183 5.155 -11.856 1.00 1.54 C ATOM 572 OE1 GLU A 40 4.345 6.073 -11.746 1.00 2.16 O ATOM 573 OE2 GLU A 40 5.547 4.687 -12.956 1.00 1.57 O ATOM 0 H GLU A 40 3.662 2.133 -7.877 1.00 0.38 H new ATOM 0 HA GLU A 40 6.463 2.653 -8.672 1.00 0.39 H new ATOM 0 HB2 GLU A 40 5.099 2.561 -10.720 1.00 0.43 H new ATOM 0 HB3 GLU A 40 3.939 3.676 -10.026 1.00 0.43 H new ATOM 0 HG2 GLU A 40 5.853 5.359 -9.835 1.00 1.21 H new ATOM 0 HG3 GLU A 40 6.811 4.253 -10.801 1.00 1.21 H new ATOM 580 N ILE A 41 6.408 4.855 -7.430 1.00 0.39 N ATOM 581 CA ILE A 41 6.390 5.992 -6.516 1.00 0.41 C ATOM 582 C ILE A 41 6.856 7.273 -7.198 1.00 0.40 C ATOM 583 O ILE A 41 7.996 7.367 -7.652 1.00 0.43 O ATOM 584 CB ILE A 41 7.291 5.738 -5.290 1.00 0.48 C ATOM 585 CG1 ILE A 41 6.997 4.362 -4.681 1.00 0.57 C ATOM 586 CG2 ILE A 41 7.107 6.836 -4.254 1.00 0.55 C ATOM 587 CD1 ILE A 41 5.579 4.204 -4.173 1.00 1.16 C ATOM 0 H ILE A 41 7.317 4.658 -7.849 1.00 0.39 H new ATOM 0 HA ILE A 41 5.355 6.111 -6.196 1.00 0.41 H new ATOM 0 HB ILE A 41 8.330 5.751 -5.619 1.00 0.48 H new ATOM 0 HG12 ILE A 41 7.191 3.595 -5.431 1.00 0.57 H new ATOM 0 HG13 ILE A 41 7.689 4.185 -3.858 1.00 0.57 H new ATOM 0 HG21 ILE A 41 7.751 6.639 -3.397 1.00 0.55 H new ATOM 0 HG22 ILE A 41 7.371 7.798 -4.693 1.00 0.55 H new ATOM 0 HG23 ILE A 41 6.067 6.859 -3.929 1.00 0.55 H new ATOM 0 HD11 ILE A 41 5.451 3.204 -3.758 1.00 1.16 H new ATOM 0 HD12 ILE A 41 5.385 4.946 -3.399 1.00 1.16 H new ATOM 0 HD13 ILE A 41 4.879 4.347 -4.996 1.00 1.16 H new ATOM 591 N VAL A 42 5.962 8.255 -7.268 1.00 0.39 N ATOM 592 CA VAL A 42 6.280 9.545 -7.865 1.00 0.41 C ATOM 593 C VAL A 42 6.355 10.625 -6.790 1.00 0.41 C ATOM 594 O VAL A 42 5.349 10.947 -6.161 1.00 0.42 O ATOM 595 CB VAL A 42 5.237 9.953 -8.924 1.00 0.45 C ATOM 596 CG1 VAL A 42 5.574 11.315 -9.517 1.00 0.52 C ATOM 597 CG2 VAL A 42 5.144 8.899 -10.016 1.00 0.50 C ATOM 0 H VAL A 42 5.008 8.180 -6.916 1.00 0.39 H new ATOM 0 HA VAL A 42 7.249 9.445 -8.355 1.00 0.41 H new ATOM 0 HB VAL A 42 4.265 10.027 -8.436 1.00 0.45 H new ATOM 0 HG11 VAL A 42 4.825 11.583 -10.262 1.00 0.52 H new ATOM 0 HG12 VAL A 42 5.583 12.064 -8.725 1.00 0.52 H new ATOM 0 HG13 VAL A 42 6.556 11.274 -9.988 1.00 0.52 H new ATOM 0 HG21 VAL A 42 4.403 9.205 -10.754 1.00 0.50 H new ATOM 0 HG22 VAL A 42 6.115 8.790 -10.500 1.00 0.50 H new ATOM 0 HG23 VAL A 42 4.848 7.946 -9.578 1.00 0.50 H new ATOM 601 N HIS A 43 7.541 11.187 -6.582 1.00 0.45 N ATOM 602 CA HIS A 43 7.720 12.232 -5.578 1.00 0.48 C ATOM 603 C HIS A 43 7.858 13.602 -6.235 1.00 0.51 C ATOM 604 O HIS A 43 8.812 13.857 -6.970 1.00 0.58 O ATOM 605 CB HIS A 43 8.946 11.927 -4.709 1.00 0.57 C ATOM 606 CG HIS A 43 9.399 13.086 -3.871 1.00 0.72 C ATOM 607 ND1 HIS A 43 10.505 13.850 -4.174 1.00 1.30 N ATOM 608 CD2 HIS A 43 8.884 13.610 -2.731 1.00 0.78 C ATOM 609 CE1 HIS A 43 10.656 14.790 -3.258 1.00 1.31 C ATOM 610 NE2 HIS A 43 9.685 14.665 -2.372 1.00 0.87 N ATOM 0 H HIS A 43 8.389 10.939 -7.092 1.00 0.45 H new ATOM 0 HA HIS A 43 6.835 12.251 -4.942 1.00 0.48 H new ATOM 0 HB2 HIS A 43 8.716 11.086 -4.055 1.00 0.57 H new ATOM 0 HB3 HIS A 43 9.767 11.614 -5.353 1.00 0.57 H new ATOM 0 HD2 HIS A 43 8.008 13.262 -2.204 1.00 0.78 H new ATOM 0 HE1 HIS A 43 11.439 15.533 -3.237 1.00 1.31 H new ATOM 0 HE2 HIS A 43 9.552 15.257 -1.552 1.00 0.87 H new ATOM 619 N GLU A 44 6.892 14.480 -5.967 1.00 0.51 N ATOM 620 CA GLU A 44 6.899 15.825 -6.533 1.00 0.58 C ATOM 621 C GLU A 44 6.482 16.870 -5.500 1.00 0.61 C ATOM 622 O GLU A 44 5.305 16.977 -5.155 1.00 0.64 O ATOM 623 CB GLU A 44 5.969 15.892 -7.747 1.00 0.63 C ATOM 624 CG GLU A 44 5.879 17.274 -8.371 1.00 1.32 C ATOM 625 CD GLU A 44 7.222 17.791 -8.847 1.00 1.93 C ATOM 626 OE1 GLU A 44 7.953 18.388 -8.027 1.00 2.53 O ATOM 627 OE2 GLU A 44 7.546 17.599 -10.037 1.00 2.45 O ATOM 0 H GLU A 44 6.095 14.282 -5.361 1.00 0.51 H new ATOM 0 HA GLU A 44 7.919 16.048 -6.845 1.00 0.58 H new ATOM 0 HB2 GLU A 44 6.317 15.185 -8.500 1.00 0.63 H new ATOM 0 HB3 GLU A 44 4.971 15.573 -7.447 1.00 0.63 H new ATOM 0 HG2 GLU A 44 5.187 17.243 -9.213 1.00 1.32 H new ATOM 0 HG3 GLU A 44 5.464 17.970 -7.642 1.00 1.32 H new ATOM 634 N GLY A 45 7.455 17.641 -5.018 1.00 0.65 N ATOM 635 CA GLY A 45 7.176 18.681 -4.040 1.00 0.70 C ATOM 636 C GLY A 45 6.365 18.193 -2.852 1.00 0.81 C ATOM 637 O GLY A 45 5.247 18.658 -2.630 1.00 1.77 O ATOM 0 H GLY A 45 8.435 17.563 -5.289 1.00 0.65 H new ATOM 0 HA2 GLY A 45 8.119 19.094 -3.681 1.00 0.70 H new ATOM 0 HA3 GLY A 45 6.638 19.493 -4.528 1.00 0.70 H new ATOM 641 N LYS A 46 6.931 17.251 -2.098 1.00 0.68 N ATOM 642 CA LYS A 46 6.271 16.695 -0.911 1.00 0.64 C ATOM 643 C LYS A 46 5.044 15.858 -1.268 1.00 0.57 C ATOM 644 O LYS A 46 4.569 15.068 -0.451 1.00 0.60 O ATOM 645 CB LYS A 46 5.874 17.810 0.061 1.00 0.69 C ATOM 646 CG LYS A 46 7.056 18.585 0.617 1.00 1.50 C ATOM 647 CD LYS A 46 6.608 19.706 1.542 1.00 1.65 C ATOM 648 CE LYS A 46 5.938 19.166 2.797 1.00 2.57 C ATOM 649 NZ LYS A 46 5.486 20.259 3.700 1.00 3.15 N ATOM 0 H LYS A 46 7.851 16.853 -2.288 1.00 0.68 H new ATOM 0 HA LYS A 46 6.994 16.036 -0.430 1.00 0.64 H new ATOM 0 HB2 LYS A 46 5.204 18.503 -0.449 1.00 0.69 H new ATOM 0 HB3 LYS A 46 5.314 17.376 0.889 1.00 0.69 H new ATOM 0 HG2 LYS A 46 7.714 17.906 1.160 1.00 1.50 H new ATOM 0 HG3 LYS A 46 7.637 19.002 -0.205 1.00 1.50 H new ATOM 0 HD2 LYS A 46 7.469 20.313 1.822 1.00 1.65 H new ATOM 0 HD3 LYS A 46 5.915 20.360 1.012 1.00 1.65 H new ATOM 0 HE2 LYS A 46 5.083 18.551 2.516 1.00 2.57 H new ATOM 0 HE3 LYS A 46 6.635 18.519 3.331 1.00 2.57 H new ATOM 0 HZ1 LYS A 46 5.035 19.849 4.543 1.00 3.15 H new ATOM 0 HZ2 LYS A 46 6.305 20.831 3.989 1.00 3.15 H new ATOM 0 HZ3 LYS A 46 4.802 20.862 3.200 1.00 3.15 H new ATOM 663 N LYS A 47 4.529 16.026 -2.482 1.00 0.55 N ATOM 664 CA LYS A 47 3.360 15.274 -2.918 1.00 0.52 C ATOM 665 C LYS A 47 3.783 13.986 -3.615 1.00 0.47 C ATOM 666 O LYS A 47 4.289 14.013 -4.736 1.00 0.53 O ATOM 667 CB LYS A 47 2.497 16.120 -3.855 1.00 0.61 C ATOM 668 CG LYS A 47 1.944 17.378 -3.202 1.00 1.25 C ATOM 669 CD LYS A 47 1.066 18.169 -4.157 1.00 1.65 C ATOM 670 CE LYS A 47 -0.229 17.435 -4.462 1.00 2.25 C ATOM 671 NZ LYS A 47 -1.175 18.279 -5.242 1.00 2.71 N ATOM 0 H LYS A 47 4.901 16.673 -3.177 1.00 0.55 H new ATOM 0 HA LYS A 47 2.771 15.018 -2.037 1.00 0.52 H new ATOM 0 HB2 LYS A 47 3.089 16.403 -4.725 1.00 0.61 H new ATOM 0 HB3 LYS A 47 1.667 15.514 -4.218 1.00 0.61 H new ATOM 0 HG2 LYS A 47 1.367 17.105 -2.318 1.00 1.25 H new ATOM 0 HG3 LYS A 47 2.769 18.005 -2.863 1.00 1.25 H new ATOM 0 HD2 LYS A 47 0.840 19.143 -3.723 1.00 1.65 H new ATOM 0 HD3 LYS A 47 1.609 18.352 -5.084 1.00 1.65 H new ATOM 0 HE2 LYS A 47 -0.008 16.526 -5.021 1.00 2.25 H new ATOM 0 HE3 LYS A 47 -0.701 17.128 -3.529 1.00 2.25 H new ATOM 0 HZ1 LYS A 47 -2.046 17.742 -5.430 1.00 2.71 H new ATOM 0 HZ2 LYS A 47 -1.406 19.135 -4.698 1.00 2.71 H new ATOM 0 HZ3 LYS A 47 -0.735 18.551 -6.144 1.00 2.71 H new ATOM 685 N VAL A 48 3.566 12.859 -2.944 1.00 0.44 N ATOM 686 CA VAL A 48 3.933 11.562 -3.494 1.00 0.44 C ATOM 687 C VAL A 48 2.698 10.756 -3.884 1.00 0.43 C ATOM 688 O VAL A 48 1.784 10.572 -3.079 1.00 0.52 O ATOM 689 CB VAL A 48 4.776 10.746 -2.496 1.00 0.50 C ATOM 690 CG1 VAL A 48 5.175 9.409 -3.100 1.00 1.36 C ATOM 691 CG2 VAL A 48 6.006 11.532 -2.069 1.00 1.31 C ATOM 0 H VAL A 48 3.138 12.819 -2.019 1.00 0.44 H new ATOM 0 HA VAL A 48 4.529 11.756 -4.386 1.00 0.44 H new ATOM 0 HB VAL A 48 4.170 10.552 -1.611 1.00 0.50 H new ATOM 0 HG11 VAL A 48 5.770 8.847 -2.380 1.00 1.36 H new ATOM 0 HG12 VAL A 48 4.279 8.842 -3.352 1.00 1.36 H new ATOM 0 HG13 VAL A 48 5.763 9.578 -4.002 1.00 1.36 H new ATOM 0 HG21 VAL A 48 6.589 10.940 -1.364 1.00 1.31 H new ATOM 0 HG22 VAL A 48 6.615 11.758 -2.944 1.00 1.31 H new ATOM 0 HG23 VAL A 48 5.696 12.462 -1.592 1.00 1.31 H new ATOM 695 N LYS A 49 2.680 10.279 -5.124 1.00 0.43 N ATOM 696 CA LYS A 49 1.562 9.490 -5.624 1.00 0.44 C ATOM 697 C LYS A 49 1.914 8.006 -5.658 1.00 0.42 C ATOM 698 O LYS A 49 3.016 7.626 -6.049 1.00 0.44 O ATOM 699 CB LYS A 49 1.165 9.962 -7.025 1.00 0.51 C ATOM 700 CG LYS A 49 0.595 11.370 -7.052 1.00 1.22 C ATOM 701 CD LYS A 49 0.150 11.766 -8.451 1.00 1.35 C ATOM 702 CE LYS A 49 -0.594 13.093 -8.445 1.00 1.95 C ATOM 703 NZ LYS A 49 -1.035 13.488 -9.810 1.00 2.54 N ATOM 0 H LYS A 49 3.428 10.426 -5.801 1.00 0.43 H new ATOM 0 HA LYS A 49 0.720 9.630 -4.946 1.00 0.44 H new ATOM 0 HB2 LYS A 49 2.039 9.920 -7.675 1.00 0.51 H new ATOM 0 HB3 LYS A 49 0.428 9.272 -7.437 1.00 0.51 H new ATOM 0 HG2 LYS A 49 -0.252 11.434 -6.368 1.00 1.22 H new ATOM 0 HG3 LYS A 49 1.346 12.074 -6.695 1.00 1.22 H new ATOM 0 HD2 LYS A 49 1.020 11.838 -9.104 1.00 1.35 H new ATOM 0 HD3 LYS A 49 -0.494 10.989 -8.863 1.00 1.35 H new ATOM 0 HE2 LYS A 49 -1.462 13.019 -7.790 1.00 1.95 H new ATOM 0 HE3 LYS A 49 0.051 13.869 -8.033 1.00 1.95 H new ATOM 0 HZ1 LYS A 49 -1.538 14.397 -9.763 1.00 2.54 H new ATOM 0 HZ2 LYS A 49 -0.205 13.583 -10.429 1.00 2.54 H new ATOM 0 HZ3 LYS A 49 -1.671 12.760 -10.194 1.00 2.54 H new ATOM 717 N LEU A 50 0.965 7.173 -5.241 1.00 0.40 N ATOM 718 CA LEU A 50 1.170 5.729 -5.223 1.00 0.40 C ATOM 719 C LEU A 50 0.299 5.047 -6.272 1.00 0.36 C ATOM 720 O LEU A 50 -0.922 5.206 -6.274 1.00 0.38 O ATOM 721 CB LEU A 50 0.855 5.164 -3.836 1.00 0.48 C ATOM 722 CG LEU A 50 0.900 3.636 -3.726 1.00 0.74 C ATOM 723 CD1 LEU A 50 2.317 3.122 -3.941 1.00 1.34 C ATOM 724 CD2 LEU A 50 0.370 3.187 -2.374 1.00 1.69 C ATOM 0 H LEU A 50 0.048 7.473 -4.911 1.00 0.40 H new ATOM 0 HA LEU A 50 2.216 5.531 -5.458 1.00 0.40 H new ATOM 0 HB2 LEU A 50 1.562 5.584 -3.121 1.00 0.48 H new ATOM 0 HB3 LEU A 50 -0.137 5.504 -3.540 1.00 0.48 H new ATOM 0 HG LEU A 50 0.263 3.217 -4.505 1.00 0.74 H new ATOM 0 HD11 LEU A 50 2.326 2.035 -3.859 1.00 1.34 H new ATOM 0 HD12 LEU A 50 2.663 3.414 -4.932 1.00 1.34 H new ATOM 0 HD13 LEU A 50 2.977 3.549 -3.186 1.00 1.34 H new ATOM 0 HD21 LEU A 50 0.408 2.099 -2.311 1.00 1.69 H new ATOM 0 HD22 LEU A 50 0.982 3.618 -1.582 1.00 1.69 H new ATOM 0 HD23 LEU A 50 -0.661 3.521 -2.258 1.00 1.69 H new ATOM 730 N THR A 51 0.930 4.288 -7.161 1.00 0.36 N ATOM 731 CA THR A 51 0.204 3.584 -8.210 1.00 0.37 C ATOM 732 C THR A 51 0.481 2.086 -8.156 1.00 0.39 C ATOM 733 O THR A 51 1.634 1.656 -8.170 1.00 0.45 O ATOM 734 CB THR A 51 0.578 4.113 -9.607 1.00 0.47 C ATOM 735 OG1 THR A 51 0.364 5.527 -9.670 1.00 0.61 O ATOM 736 CG2 THR A 51 -0.248 3.426 -10.686 1.00 0.63 C ATOM 0 H THR A 51 1.940 4.145 -7.176 1.00 0.36 H new ATOM 0 HA THR A 51 -0.857 3.763 -8.035 1.00 0.37 H new ATOM 0 HB THR A 51 1.632 3.895 -9.781 1.00 0.47 H new ATOM 0 HG1 THR A 51 0.606 5.855 -10.561 1.00 0.61 H new ATOM 0 HG21 THR A 51 0.034 3.816 -11.664 1.00 0.63 H new ATOM 0 HG22 THR A 51 -0.064 2.352 -10.657 1.00 0.63 H new ATOM 0 HG23 THR A 51 -1.307 3.617 -10.511 1.00 0.63 H new ATOM 741 N ILE A 52 -0.587 1.298 -8.093 1.00 0.41 N ATOM 742 CA ILE A 52 -0.468 -0.154 -8.045 1.00 0.47 C ATOM 743 C ILE A 52 -1.397 -0.805 -9.061 1.00 0.56 C ATOM 744 O ILE A 52 -2.585 -0.483 -9.119 1.00 0.63 O ATOM 745 CB ILE A 52 -0.796 -0.704 -6.642 1.00 0.55 C ATOM 746 CG1 ILE A 52 -0.023 0.067 -5.570 1.00 1.02 C ATOM 747 CG2 ILE A 52 -0.470 -2.190 -6.572 1.00 1.10 C ATOM 748 CD1 ILE A 52 -0.410 -0.313 -4.156 1.00 1.76 C ATOM 0 H ILE A 52 -1.547 1.642 -8.074 1.00 0.41 H new ATOM 0 HA ILE A 52 0.567 -0.397 -8.285 1.00 0.47 H new ATOM 0 HB ILE A 52 -1.862 -0.572 -6.455 1.00 0.55 H new ATOM 0 HG12 ILE A 52 1.044 -0.109 -5.706 1.00 1.02 H new ATOM 0 HG13 ILE A 52 -0.191 1.135 -5.710 1.00 1.02 H new ATOM 0 HG21 ILE A 52 -0.705 -2.568 -5.577 1.00 1.10 H new ATOM 0 HG22 ILE A 52 -1.061 -2.727 -7.313 1.00 1.10 H new ATOM 0 HG23 ILE A 52 0.590 -2.340 -6.775 1.00 1.10 H new ATOM 0 HD11 ILE A 52 0.177 0.272 -3.448 1.00 1.76 H new ATOM 0 HD12 ILE A 52 -1.470 -0.111 -4.002 1.00 1.76 H new ATOM 0 HD13 ILE A 52 -0.216 -1.374 -3.998 1.00 1.76 H new ATOM 752 N THR A 53 -0.862 -1.723 -9.861 1.00 0.63 N ATOM 753 CA THR A 53 -1.668 -2.403 -10.868 1.00 0.76 C ATOM 754 C THR A 53 -1.690 -3.911 -10.643 1.00 0.81 C ATOM 755 O THR A 53 -0.645 -4.540 -10.475 1.00 0.80 O ATOM 756 CB THR A 53 -1.148 -2.118 -12.290 1.00 0.85 C ATOM 757 OG1 THR A 53 -1.139 -0.706 -12.536 1.00 0.87 O ATOM 758 CG2 THR A 53 -2.008 -2.812 -13.336 1.00 1.00 C ATOM 0 H THR A 53 0.116 -2.011 -9.832 1.00 0.63 H new ATOM 0 HA THR A 53 -2.681 -2.013 -10.770 1.00 0.76 H new ATOM 0 HB THR A 53 -0.133 -2.508 -12.362 1.00 0.85 H new ATOM 0 HG1 THR A 53 -0.806 -0.534 -13.441 1.00 0.87 H new ATOM 0 HG21 THR A 53 -1.618 -2.594 -14.330 1.00 1.00 H new ATOM 0 HG22 THR A 53 -1.989 -3.889 -13.167 1.00 1.00 H new ATOM 0 HG23 THR A 53 -3.034 -2.451 -13.261 1.00 1.00 H new ATOM 763 N TYR A 54 -2.892 -4.481 -10.639 1.00 0.93 N ATOM 764 CA TYR A 54 -3.062 -5.916 -10.449 1.00 1.04 C ATOM 765 C TYR A 54 -3.791 -6.532 -11.637 1.00 1.18 C ATOM 766 O TYR A 54 -4.989 -6.314 -11.822 1.00 1.53 O ATOM 767 CB TYR A 54 -3.844 -6.201 -9.165 1.00 1.11 C ATOM 768 CG TYR A 54 -3.089 -5.864 -7.898 1.00 1.63 C ATOM 769 CD1 TYR A 54 -1.909 -6.521 -7.573 1.00 1.53 C ATOM 770 CD2 TYR A 54 -3.562 -4.892 -7.024 1.00 2.57 C ATOM 771 CE1 TYR A 54 -1.221 -6.219 -6.412 1.00 2.31 C ATOM 772 CE2 TYR A 54 -2.880 -4.586 -5.862 1.00 3.42 C ATOM 773 CZ TYR A 54 -1.710 -5.252 -5.561 1.00 3.28 C ATOM 774 OH TYR A 54 -1.029 -4.952 -4.404 1.00 4.18 O ATOM 0 H TYR A 54 -3.764 -3.968 -10.766 1.00 0.93 H new ATOM 0 HA TYR A 54 -2.071 -6.363 -10.369 1.00 1.04 H new ATOM 0 HB2 TYR A 54 -4.774 -5.632 -9.184 1.00 1.11 H new ATOM 0 HB3 TYR A 54 -4.116 -7.256 -9.144 1.00 1.11 H new ATOM 0 HD1 TYR A 54 -1.523 -7.280 -8.238 1.00 1.53 H new ATOM 0 HD2 TYR A 54 -4.477 -4.368 -7.257 1.00 2.57 H new ATOM 0 HE1 TYR A 54 -0.305 -6.739 -6.173 1.00 2.31 H new ATOM 0 HE2 TYR A 54 -3.261 -3.829 -5.193 1.00 3.42 H new ATOM 0 HH TYR A 54 -1.506 -4.248 -3.917 1.00 4.18 H new ATOM 784 N GLY A 55 -3.068 -7.304 -12.440 1.00 1.09 N ATOM 785 CA GLY A 55 -3.673 -7.936 -13.597 1.00 1.20 C ATOM 786 C GLY A 55 -4.076 -6.934 -14.663 1.00 1.22 C ATOM 787 O GLY A 55 -3.319 -6.676 -15.598 1.00 2.00 O ATOM 0 H GLY A 55 -2.076 -7.503 -12.311 1.00 1.09 H new ATOM 0 HA2 GLY A 55 -2.971 -8.653 -14.024 1.00 1.20 H new ATOM 0 HA3 GLY A 55 -4.551 -8.499 -13.282 1.00 1.20 H new ATOM 791 N SER A 56 -5.270 -6.366 -14.520 1.00 0.89 N ATOM 792 CA SER A 56 -5.773 -5.389 -15.480 1.00 1.23 C ATOM 793 C SER A 56 -6.425 -4.201 -14.774 1.00 1.14 C ATOM 794 O SER A 56 -7.121 -3.404 -15.403 1.00 1.30 O ATOM 795 CB SER A 56 -6.778 -6.047 -16.425 1.00 1.66 C ATOM 796 OG SER A 56 -7.863 -6.605 -15.706 1.00 2.20 O ATOM 0 H SER A 56 -5.907 -6.566 -13.749 1.00 0.89 H new ATOM 0 HA SER A 56 -4.925 -5.019 -16.056 1.00 1.23 H new ATOM 0 HB2 SER A 56 -7.150 -5.310 -17.136 1.00 1.66 H new ATOM 0 HB3 SER A 56 -6.282 -6.826 -17.004 1.00 1.66 H new ATOM 0 HG SER A 56 -8.493 -7.018 -16.333 1.00 2.20 H new ATOM 802 N LYS A 57 -6.193 -4.084 -13.470 1.00 0.92 N ATOM 803 CA LYS A 57 -6.763 -2.987 -12.689 1.00 0.86 C ATOM 804 C LYS A 57 -5.690 -1.996 -12.262 1.00 0.77 C ATOM 805 O LYS A 57 -4.730 -2.361 -11.584 1.00 0.77 O ATOM 806 CB LYS A 57 -7.480 -3.520 -11.450 1.00 0.89 C ATOM 807 CG LYS A 57 -8.040 -2.419 -10.563 1.00 0.91 C ATOM 808 CD LYS A 57 -8.720 -2.998 -9.337 1.00 1.02 C ATOM 809 CE LYS A 57 -10.087 -3.573 -9.673 1.00 1.79 C ATOM 810 NZ LYS A 57 -10.737 -4.190 -8.485 1.00 2.51 N ATOM 0 H LYS A 57 -5.617 -4.731 -12.932 1.00 0.92 H new ATOM 0 HA LYS A 57 -7.481 -2.473 -13.329 1.00 0.86 H new ATOM 0 HB2 LYS A 57 -8.293 -4.175 -11.762 1.00 0.89 H new ATOM 0 HB3 LYS A 57 -6.786 -4.128 -10.870 1.00 0.89 H new ATOM 0 HG2 LYS A 57 -7.235 -1.751 -10.255 1.00 0.91 H new ATOM 0 HG3 LYS A 57 -8.753 -1.819 -11.129 1.00 0.91 H new ATOM 0 HD2 LYS A 57 -8.092 -3.778 -8.907 1.00 1.02 H new ATOM 0 HD3 LYS A 57 -8.828 -2.222 -8.579 1.00 1.02 H new ATOM 0 HE2 LYS A 57 -10.726 -2.783 -10.067 1.00 1.79 H new ATOM 0 HE3 LYS A 57 -9.983 -4.321 -10.459 1.00 1.79 H new ATOM 0 HZ1 LYS A 57 -11.666 -4.570 -8.756 1.00 2.51 H new ATOM 0 HZ2 LYS A 57 -10.140 -4.961 -8.124 1.00 2.51 H new ATOM 0 HZ3 LYS A 57 -10.860 -3.471 -7.744 1.00 2.51 H new ATOM 824 N VAL A 58 -5.859 -0.742 -12.661 1.00 0.75 N ATOM 825 CA VAL A 58 -4.915 0.301 -12.302 1.00 0.70 C ATOM 826 C VAL A 58 -5.431 1.111 -11.116 1.00 0.63 C ATOM 827 O VAL A 58 -6.558 1.608 -11.127 1.00 0.66 O ATOM 828 CB VAL A 58 -4.643 1.237 -13.496 1.00 0.76 C ATOM 829 CG1 VAL A 58 -5.896 2.003 -13.893 1.00 1.38 C ATOM 830 CG2 VAL A 58 -3.500 2.192 -13.183 1.00 1.31 C ATOM 0 H VAL A 58 -6.642 -0.425 -13.233 1.00 0.75 H new ATOM 0 HA VAL A 58 -3.980 -0.182 -12.020 1.00 0.70 H new ATOM 0 HB VAL A 58 -4.349 0.619 -14.345 1.00 0.76 H new ATOM 0 HG11 VAL A 58 -5.672 2.654 -14.738 1.00 1.38 H new ATOM 0 HG12 VAL A 58 -6.679 1.299 -14.175 1.00 1.38 H new ATOM 0 HG13 VAL A 58 -6.236 2.605 -13.051 1.00 1.38 H new ATOM 0 HG21 VAL A 58 -3.325 2.843 -14.039 1.00 1.31 H new ATOM 0 HG22 VAL A 58 -3.759 2.797 -12.314 1.00 1.31 H new ATOM 0 HG23 VAL A 58 -2.596 1.621 -12.971 1.00 1.31 H new ATOM 834 N ILE A 59 -4.605 1.223 -10.082 1.00 0.59 N ATOM 835 CA ILE A 59 -4.976 1.969 -8.886 1.00 0.56 C ATOM 836 C ILE A 59 -4.071 3.180 -8.706 1.00 0.50 C ATOM 837 O ILE A 59 -2.865 3.041 -8.509 1.00 0.48 O ATOM 838 CB ILE A 59 -4.903 1.090 -7.620 1.00 0.62 C ATOM 839 CG1 ILE A 59 -5.816 -0.133 -7.761 1.00 0.89 C ATOM 840 CG2 ILE A 59 -5.276 1.901 -6.386 1.00 0.79 C ATOM 841 CD1 ILE A 59 -7.280 0.211 -7.950 1.00 1.60 C ATOM 0 H ILE A 59 -3.674 0.807 -10.048 1.00 0.59 H new ATOM 0 HA ILE A 59 -6.006 2.298 -9.022 1.00 0.56 H new ATOM 0 HB ILE A 59 -3.878 0.739 -7.502 1.00 0.62 H new ATOM 0 HG12 ILE A 59 -5.480 -0.728 -8.610 1.00 0.89 H new ATOM 0 HG13 ILE A 59 -5.711 -0.756 -6.873 1.00 0.89 H new ATOM 0 HG21 ILE A 59 -5.219 1.266 -5.502 1.00 0.79 H new ATOM 0 HG22 ILE A 59 -4.585 2.737 -6.277 1.00 0.79 H new ATOM 0 HG23 ILE A 59 -6.291 2.282 -6.494 1.00 0.79 H new ATOM 0 HD11 ILE A 59 -7.861 -0.707 -8.042 1.00 1.60 H new ATOM 0 HD12 ILE A 59 -7.634 0.780 -7.090 1.00 1.60 H new ATOM 0 HD13 ILE A 59 -7.400 0.808 -8.854 1.00 1.60 H new ATOM 845 N HIS A 60 -4.660 4.365 -8.774 1.00 0.50 N ATOM 846 CA HIS A 60 -3.899 5.601 -8.620 1.00 0.48 C ATOM 847 C HIS A 60 -4.350 6.387 -7.393 1.00 0.49 C ATOM 848 O HIS A 60 -5.542 6.622 -7.192 1.00 0.57 O ATOM 849 CB HIS A 60 -4.026 6.467 -9.874 1.00 0.55 C ATOM 850 CG HIS A 60 -5.441 6.700 -10.305 1.00 1.14 C ATOM 851 ND1 HIS A 60 -6.316 7.510 -9.613 1.00 1.39 N ATOM 852 CD2 HIS A 60 -6.132 6.223 -11.367 1.00 2.15 C ATOM 853 CE1 HIS A 60 -7.483 7.521 -10.230 1.00 2.24 C ATOM 854 NE2 HIS A 60 -7.399 6.749 -11.298 1.00 2.74 N ATOM 0 H HIS A 60 -5.658 4.499 -8.934 1.00 0.50 H new ATOM 0 HA HIS A 60 -2.853 5.328 -8.479 1.00 0.48 H new ATOM 0 HB2 HIS A 60 -3.549 7.429 -9.690 1.00 0.55 H new ATOM 0 HB3 HIS A 60 -3.481 5.992 -10.690 1.00 0.55 H new ATOM 0 HD1 HIS A 60 -6.096 8.021 -8.758 1.00 1.39 H new ATOM 0 HD2 HIS A 60 -5.757 5.554 -12.127 1.00 2.15 H new ATOM 0 HE1 HIS A 60 -8.359 8.069 -9.915 1.00 2.24 H new ATOM 863 N ASN A 61 -3.384 6.787 -6.572 1.00 0.45 N ATOM 864 CA ASN A 61 -3.663 7.553 -5.363 1.00 0.50 C ATOM 865 C ASN A 61 -2.630 8.663 -5.182 1.00 0.47 C ATOM 866 O ASN A 61 -1.548 8.616 -5.769 1.00 0.69 O ATOM 867 CB ASN A 61 -3.665 6.636 -4.137 1.00 0.58 C ATOM 868 CG ASN A 61 -4.857 5.699 -4.112 1.00 0.86 C ATOM 869 OD1 ASN A 61 -6.004 6.181 -4.579 1.00 1.79 O flip ATOM 870 ND2 ASN A 61 -4.751 4.554 -3.670 1.00 1.01 N flip ATOM 0 H ASN A 61 -2.395 6.591 -6.724 1.00 0.45 H new ATOM 0 HA ASN A 61 -4.649 8.005 -5.466 1.00 0.50 H new ATOM 0 HB2 ASN A 61 -2.746 6.050 -4.125 1.00 0.58 H new ATOM 0 HB3 ASN A 61 -3.667 7.244 -3.233 1.00 0.58 H new ATOM 0 HD21 ASN A 61 -3.851 4.223 -3.321 1.00 1.01 H new ATOM 0 HD22 ASN A 61 -5.563 3.937 -3.653 1.00 1.01 H new ATOM 875 N GLU A 62 -2.968 9.656 -4.369 1.00 0.49 N ATOM 876 CA GLU A 62 -2.067 10.776 -4.119 1.00 0.50 C ATOM 877 C GLU A 62 -2.164 11.245 -2.669 1.00 0.49 C ATOM 878 O GLU A 62 -3.252 11.289 -2.094 1.00 0.57 O ATOM 879 CB GLU A 62 -2.394 11.932 -5.064 1.00 0.69 C ATOM 880 CG GLU A 62 -3.859 12.328 -5.048 1.00 1.45 C ATOM 881 CD GLU A 62 -4.193 13.373 -6.096 1.00 1.63 C ATOM 882 OE1 GLU A 62 -3.846 14.555 -5.885 1.00 1.80 O ATOM 883 OE2 GLU A 62 -4.804 13.012 -7.123 1.00 2.01 O ATOM 0 H GLU A 62 -3.857 9.710 -3.872 1.00 0.49 H new ATOM 0 HA GLU A 62 -1.047 10.439 -4.301 1.00 0.50 H new ATOM 0 HB2 GLU A 62 -1.789 12.797 -4.792 1.00 0.69 H new ATOM 0 HB3 GLU A 62 -2.112 11.653 -6.079 1.00 0.69 H new ATOM 0 HG2 GLU A 62 -4.473 11.443 -5.215 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -4.117 12.713 -4.061 1.00 1.45 H new ATOM 890 N PHE A 63 -1.020 11.589 -2.085 1.00 0.44 N ATOM 891 CA PHE A 63 -0.979 12.049 -0.702 1.00 0.45 C ATOM 892 C PHE A 63 0.149 13.055 -0.482 1.00 0.44 C ATOM 893 O PHE A 63 1.215 12.954 -1.089 1.00 0.45 O ATOM 894 CB PHE A 63 -0.814 10.859 0.246 1.00 0.49 C ATOM 895 CG PHE A 63 0.193 9.847 -0.223 1.00 0.70 C ATOM 896 CD1 PHE A 63 1.529 9.970 0.121 1.00 0.98 C ATOM 897 CD2 PHE A 63 -0.194 8.775 -1.011 1.00 1.10 C ATOM 898 CE1 PHE A 63 2.459 9.044 -0.308 1.00 1.45 C ATOM 899 CE2 PHE A 63 0.731 7.844 -1.443 1.00 1.54 C ATOM 900 CZ PHE A 63 2.052 7.974 -1.094 1.00 1.66 C ATOM 0 H PHE A 63 -0.111 11.558 -2.547 1.00 0.44 H new ATOM 0 HA PHE A 63 -1.923 12.550 -0.489 1.00 0.45 H new ATOM 0 HB2 PHE A 63 -0.516 11.227 1.228 1.00 0.49 H new ATOM 0 HB3 PHE A 63 -1.779 10.368 0.369 1.00 0.49 H new ATOM 0 HD1 PHE A 63 1.847 10.801 0.733 1.00 0.98 H new ATOM 0 HD2 PHE A 63 -1.231 8.666 -1.291 1.00 1.10 H new ATOM 0 HE1 PHE A 63 3.498 9.151 -0.034 1.00 1.45 H new ATOM 0 HE2 PHE A 63 0.414 7.013 -2.056 1.00 1.54 H new ATOM 0 HZ PHE A 63 2.774 7.245 -1.430 1.00 1.66 H new ATOM 910 N THR A 64 -0.102 14.028 0.390 1.00 0.47 N ATOM 911 CA THR A 64 0.882 15.057 0.704 1.00 0.49 C ATOM 912 C THR A 64 1.512 14.807 2.071 1.00 0.49 C ATOM 913 O THR A 64 0.807 14.574 3.054 1.00 0.55 O ATOM 914 CB THR A 64 0.252 16.463 0.690 1.00 0.57 C ATOM 915 OG1 THR A 64 -0.385 16.702 -0.570 1.00 0.62 O ATOM 916 CG2 THR A 64 1.304 17.534 0.943 1.00 0.62 C ATOM 0 H THR A 64 -0.984 14.124 0.893 1.00 0.47 H new ATOM 0 HA THR A 64 1.652 15.008 -0.066 1.00 0.49 H new ATOM 0 HB THR A 64 -0.489 16.511 1.488 1.00 0.57 H new ATOM 0 HG1 THR A 64 -0.784 17.597 -0.570 1.00 0.62 H new ATOM 0 HG21 THR A 64 0.833 18.517 0.928 1.00 0.62 H new ATOM 0 HG22 THR A 64 1.766 17.368 1.916 1.00 0.62 H new ATOM 0 HG23 THR A 64 2.067 17.485 0.166 1.00 0.62 H new ATOM 921 N LEU A 65 2.839 14.856 2.125 1.00 0.47 N ATOM 922 CA LEU A 65 3.565 14.633 3.372 1.00 0.50 C ATOM 923 C LEU A 65 3.089 15.587 4.463 1.00 0.53 C ATOM 924 O LEU A 65 2.846 16.767 4.208 1.00 0.99 O ATOM 925 CB LEU A 65 5.068 14.808 3.150 1.00 0.72 C ATOM 926 CG LEU A 65 5.715 13.765 2.235 1.00 1.05 C ATOM 927 CD1 LEU A 65 7.161 14.136 1.945 1.00 1.57 C ATOM 928 CD2 LEU A 65 5.636 12.381 2.862 1.00 1.42 C ATOM 0 H LEU A 65 3.435 15.048 1.320 1.00 0.47 H new ATOM 0 HA LEU A 65 3.366 13.612 3.697 1.00 0.50 H new ATOM 0 HB2 LEU A 65 5.245 15.798 2.729 1.00 0.72 H new ATOM 0 HB3 LEU A 65 5.568 14.780 4.118 1.00 0.72 H new ATOM 0 HG LEU A 65 5.167 13.747 1.293 1.00 1.05 H new ATOM 0 HD11 LEU A 65 7.606 13.384 1.293 1.00 1.57 H new ATOM 0 HD12 LEU A 65 7.196 15.108 1.454 1.00 1.57 H new ATOM 0 HD13 LEU A 65 7.719 14.182 2.880 1.00 1.57 H new ATOM 0 HD21 LEU A 65 6.101 11.653 2.197 1.00 1.42 H new ATOM 0 HD22 LEU A 65 6.159 12.384 3.818 1.00 1.42 H new ATOM 0 HD23 LEU A 65 4.592 12.112 3.020 1.00 1.42 H new ATOM 934 N GLY A 66 2.965 15.065 5.680 1.00 0.46 N ATOM 935 CA GLY A 66 2.520 15.875 6.800 1.00 0.60 C ATOM 936 C GLY A 66 1.173 16.525 6.553 1.00 0.61 C ATOM 937 O GLY A 66 0.880 17.586 7.105 1.00 0.80 O ATOM 0 H GLY A 66 3.166 14.092 5.911 1.00 0.46 H new ATOM 0 HA2 GLY A 66 2.460 15.252 7.692 1.00 0.60 H new ATOM 0 HA3 GLY A 66 3.261 16.649 7.001 1.00 0.60 H new ATOM 941 N GLU A 67 0.352 15.887 5.724 1.00 0.54 N ATOM 942 CA GLU A 67 -0.975 16.411 5.404 1.00 0.57 C ATOM 943 C GLU A 67 -1.997 15.283 5.299 1.00 0.55 C ATOM 944 O GLU A 67 -1.717 14.225 4.733 1.00 0.55 O ATOM 945 CB GLU A 67 -0.936 17.196 4.091 1.00 0.60 C ATOM 946 CG GLU A 67 -0.159 18.500 4.178 1.00 1.30 C ATOM 947 CD GLU A 67 -0.865 19.545 5.022 1.00 1.85 C ATOM 948 OE1 GLU A 67 -0.690 19.527 6.257 1.00 2.66 O ATOM 949 OE2 GLU A 67 -1.589 20.383 4.445 1.00 2.14 O ATOM 0 H GLU A 67 0.581 15.007 5.261 1.00 0.54 H new ATOM 0 HA GLU A 67 -1.275 17.078 6.212 1.00 0.57 H new ATOM 0 HB2 GLU A 67 -0.491 16.570 3.317 1.00 0.60 H new ATOM 0 HB3 GLU A 67 -1.957 17.413 3.778 1.00 0.60 H new ATOM 0 HG2 GLU A 67 0.827 18.304 4.599 1.00 1.30 H new ATOM 0 HG3 GLU A 67 -0.004 18.894 3.174 1.00 1.30 H new ATOM 956 N GLU A 68 -3.184 15.516 5.851 1.00 0.60 N ATOM 957 CA GLU A 68 -4.255 14.526 5.820 1.00 0.61 C ATOM 958 C GLU A 68 -5.064 14.654 4.532 1.00 0.63 C ATOM 959 O GLU A 68 -5.644 15.705 4.256 1.00 0.71 O ATOM 960 CB GLU A 68 -5.171 14.697 7.032 1.00 0.71 C ATOM 961 CG GLU A 68 -6.239 13.620 7.145 1.00 0.74 C ATOM 962 CD GLU A 68 -7.140 13.814 8.348 1.00 1.01 C ATOM 963 OE1 GLU A 68 -8.146 14.545 8.227 1.00 1.05 O ATOM 964 OE2 GLU A 68 -6.842 13.233 9.414 1.00 1.32 O ATOM 0 H GLU A 68 -3.429 16.385 6.326 1.00 0.60 H new ATOM 0 HA GLU A 68 -3.806 13.533 5.854 1.00 0.61 H new ATOM 0 HB2 GLU A 68 -4.565 14.693 7.938 1.00 0.71 H new ATOM 0 HB3 GLU A 68 -5.655 15.672 6.977 1.00 0.71 H new ATOM 0 HG2 GLU A 68 -6.845 13.618 6.239 1.00 0.74 H new ATOM 0 HG3 GLU A 68 -5.759 12.643 7.209 1.00 0.74 H new ATOM 971 N CYS A 69 -5.102 13.581 3.749 1.00 0.61 N ATOM 972 CA CYS A 69 -5.836 13.579 2.488 1.00 0.67 C ATOM 973 C CYS A 69 -6.989 12.580 2.524 1.00 0.67 C ATOM 974 O CYS A 69 -6.979 11.632 3.309 1.00 0.64 O ATOM 975 CB CYS A 69 -4.896 13.245 1.329 1.00 0.73 C ATOM 976 SG CYS A 69 -5.634 13.462 -0.307 1.00 1.86 S ATOM 0 H CYS A 69 -4.633 12.701 3.965 1.00 0.61 H new ATOM 0 HA CYS A 69 -6.250 14.576 2.339 1.00 0.67 H new ATOM 0 HB2 CYS A 69 -4.009 13.874 1.402 1.00 0.73 H new ATOM 0 HB3 CYS A 69 -4.563 12.212 1.431 1.00 0.73 H new ATOM 0 HG CYS A 69 -4.761 13.157 -1.221 1.00 1.86 H new ATOM 982 N GLU A 70 -7.983 12.804 1.669 1.00 0.75 N ATOM 983 CA GLU A 70 -9.147 11.927 1.595 1.00 0.77 C ATOM 984 C GLU A 70 -8.974 10.900 0.481 1.00 0.81 C ATOM 985 O GLU A 70 -8.783 11.259 -0.681 1.00 0.87 O ATOM 986 CB GLU A 70 -10.416 12.745 1.348 1.00 0.84 C ATOM 987 CG GLU A 70 -11.687 12.065 1.830 1.00 0.91 C ATOM 988 CD GLU A 70 -11.754 11.953 3.338 1.00 1.22 C ATOM 989 OE1 GLU A 70 -11.676 12.998 4.015 1.00 1.25 O ATOM 990 OE2 GLU A 70 -11.886 10.819 3.845 1.00 1.71 O ATOM 0 H GLU A 70 -8.005 13.588 1.016 1.00 0.75 H new ATOM 0 HA GLU A 70 -9.239 11.404 2.547 1.00 0.77 H new ATOM 0 HB2 GLU A 70 -10.319 13.709 1.847 1.00 0.84 H new ATOM 0 HB3 GLU A 70 -10.505 12.947 0.281 1.00 0.84 H new ATOM 0 HG2 GLU A 70 -12.551 12.625 1.473 1.00 0.91 H new ATOM 0 HG3 GLU A 70 -11.749 11.069 1.393 1.00 0.91 H new ATOM 997 N LEU A 71 -9.043 9.623 0.839 1.00 0.83 N ATOM 998 CA LEU A 71 -8.890 8.548 -0.135 1.00 0.91 C ATOM 999 C LEU A 71 -10.159 7.709 -0.224 1.00 0.94 C ATOM 1000 O LEU A 71 -10.832 7.477 0.779 1.00 0.96 O ATOM 1001 CB LEU A 71 -7.693 7.666 0.236 1.00 0.99 C ATOM 1002 CG LEU A 71 -7.404 6.514 -0.727 1.00 1.28 C ATOM 1003 CD1 LEU A 71 -5.908 6.263 -0.822 1.00 1.90 C ATOM 1004 CD2 LEU A 71 -8.123 5.250 -0.282 1.00 1.91 C ATOM 0 H LEU A 71 -9.204 9.307 1.795 1.00 0.83 H new ATOM 0 HA LEU A 71 -8.710 8.995 -1.113 1.00 0.91 H new ATOM 0 HB2 LEU A 71 -6.805 8.295 0.300 1.00 0.99 H new ATOM 0 HB3 LEU A 71 -7.862 7.252 1.230 1.00 0.99 H new ATOM 0 HG LEU A 71 -7.774 6.793 -1.714 1.00 1.28 H new ATOM 0 HD11 LEU A 71 -5.720 5.440 -1.511 1.00 1.90 H new ATOM 0 HD12 LEU A 71 -5.411 7.162 -1.186 1.00 1.90 H new ATOM 0 HD13 LEU A 71 -5.519 6.007 0.163 1.00 1.90 H new ATOM 0 HD21 LEU A 71 -7.904 4.442 -0.980 1.00 1.91 H new ATOM 0 HD22 LEU A 71 -7.783 4.970 0.715 1.00 1.91 H new ATOM 0 HD23 LEU A 71 -9.198 5.431 -0.261 1.00 1.91 H new ATOM 1010 N GLU A 72 -10.476 7.257 -1.432 1.00 0.99 N ATOM 1011 CA GLU A 72 -11.666 6.445 -1.653 1.00 1.05 C ATOM 1012 C GLU A 72 -11.367 4.971 -1.404 1.00 1.11 C ATOM 1013 O GLU A 72 -10.489 4.390 -2.041 1.00 1.19 O ATOM 1014 CB GLU A 72 -12.177 6.642 -3.079 1.00 1.13 C ATOM 1015 CG GLU A 72 -13.654 6.335 -3.240 1.00 1.52 C ATOM 1016 CD GLU A 72 -14.141 6.531 -4.663 1.00 1.73 C ATOM 1017 OE1 GLU A 72 -14.007 5.587 -5.471 1.00 1.82 O ATOM 1018 OE2 GLU A 72 -14.651 7.627 -4.970 1.00 2.11 O ATOM 0 H GLU A 72 -9.926 7.439 -2.272 1.00 0.99 H new ATOM 0 HA GLU A 72 -12.436 6.764 -0.951 1.00 1.05 H new ATOM 0 HB2 GLU A 72 -11.993 7.672 -3.383 1.00 1.13 H new ATOM 0 HB3 GLU A 72 -11.606 6.003 -3.753 1.00 1.13 H new ATOM 0 HG2 GLU A 72 -13.842 5.306 -2.934 1.00 1.52 H new ATOM 0 HG3 GLU A 72 -14.229 6.976 -2.572 1.00 1.52 H new ATOM 1025 N THR A 73 -12.106 4.371 -0.476 1.00 1.12 N ATOM 1026 CA THR A 73 -11.913 2.966 -0.141 1.00 1.22 C ATOM 1027 C THR A 73 -12.743 2.065 -1.050 1.00 1.35 C ATOM 1028 O THR A 73 -13.658 2.527 -1.732 1.00 1.38 O ATOM 1029 CB THR A 73 -12.291 2.686 1.324 1.00 1.24 C ATOM 1030 OG1 THR A 73 -11.947 3.809 2.143 1.00 1.76 O ATOM 1031 CG2 THR A 73 -11.578 1.447 1.843 1.00 1.63 C ATOM 0 H THR A 73 -12.842 4.835 0.056 1.00 1.12 H new ATOM 0 HA THR A 73 -10.855 2.746 -0.286 1.00 1.22 H new ATOM 0 HB THR A 73 -13.367 2.515 1.368 1.00 1.24 H new ATOM 0 HG1 THR A 73 -12.686 4.452 2.143 1.00 1.76 H new ATOM 0 HG21 THR A 73 -11.862 1.271 2.880 1.00 1.63 H new ATOM 0 HG22 THR A 73 -11.860 0.585 1.238 1.00 1.63 H new ATOM 0 HG23 THR A 73 -10.500 1.596 1.783 1.00 1.63 H new ATOM 1036 N MET A 74 -12.417 0.775 -1.055 1.00 1.45 N ATOM 1037 CA MET A 74 -13.135 -0.194 -1.876 1.00 1.60 C ATOM 1038 C MET A 74 -14.551 -0.402 -1.349 1.00 1.65 C ATOM 1039 O MET A 74 -15.452 -0.792 -2.092 1.00 1.81 O ATOM 1040 CB MET A 74 -12.385 -1.527 -1.902 1.00 1.70 C ATOM 1041 CG MET A 74 -13.017 -2.564 -2.819 1.00 2.32 C ATOM 1042 SD MET A 74 -12.136 -4.136 -2.804 1.00 3.10 S ATOM 1043 CE MET A 74 -10.528 -3.630 -3.409 1.00 3.79 C ATOM 0 H MET A 74 -11.660 0.377 -0.499 1.00 1.45 H new ATOM 0 HA MET A 74 -13.196 0.197 -2.891 1.00 1.60 H new ATOM 0 HB2 MET A 74 -11.358 -1.350 -2.221 1.00 1.70 H new ATOM 0 HB3 MET A 74 -12.340 -1.929 -0.890 1.00 1.70 H new ATOM 0 HG2 MET A 74 -14.051 -2.729 -2.516 1.00 2.32 H new ATOM 0 HG3 MET A 74 -13.041 -2.176 -3.837 1.00 2.32 H new ATOM 0 HE1 MET A 74 -9.993 -4.499 -3.791 1.00 3.79 H new ATOM 0 HE2 MET A 74 -10.653 -2.901 -4.210 1.00 3.79 H new ATOM 0 HE3 MET A 74 -9.958 -3.181 -2.596 1.00 3.79 H new ATOM 1053 N THR A 75 -14.736 -0.134 -0.060 1.00 1.57 N ATOM 1054 CA THR A 75 -16.039 -0.288 0.577 1.00 1.67 C ATOM 1055 C THR A 75 -17.048 0.709 0.019 1.00 1.56 C ATOM 1056 O THR A 75 -18.251 0.582 0.248 1.00 1.74 O ATOM 1057 CB THR A 75 -15.941 -0.095 2.101 1.00 1.89 C ATOM 1058 OG1 THR A 75 -15.494 1.233 2.398 1.00 2.23 O ATOM 1059 CG2 THR A 75 -14.984 -1.104 2.714 1.00 2.00 C ATOM 0 H THR A 75 -13.998 0.191 0.565 1.00 1.57 H new ATOM 0 HA THR A 75 -16.377 -1.302 0.363 1.00 1.67 H new ATOM 0 HB THR A 75 -16.931 -0.250 2.529 1.00 1.89 H new ATOM 0 HG1 THR A 75 -15.436 1.349 3.369 1.00 2.23 H new ATOM 0 HG21 THR A 75 -14.931 -0.948 3.791 1.00 2.00 H new ATOM 0 HG22 THR A 75 -15.341 -2.114 2.511 1.00 2.00 H new ATOM 0 HG23 THR A 75 -13.992 -0.975 2.280 1.00 2.00 H new ATOM 1064 N GLY A 76 -16.550 1.699 -0.713 1.00 1.40 N ATOM 1065 CA GLY A 76 -17.420 2.708 -1.290 1.00 1.47 C ATOM 1066 C GLY A 76 -17.406 4.000 -0.497 1.00 1.35 C ATOM 1067 O GLY A 76 -17.765 5.058 -1.015 1.00 1.39 O ATOM 0 H GLY A 76 -15.558 1.821 -0.918 1.00 1.40 H new ATOM 0 HA2 GLY A 76 -17.109 2.910 -2.315 1.00 1.47 H new ATOM 0 HA3 GLY A 76 -18.439 2.323 -1.336 1.00 1.47 H new ATOM 1071 N GLU A 77 -16.989 3.913 0.762 1.00 1.28 N ATOM 1072 CA GLU A 77 -16.928 5.080 1.633 1.00 1.22 C ATOM 1073 C GLU A 77 -15.522 5.674 1.657 1.00 1.12 C ATOM 1074 O GLU A 77 -14.531 4.950 1.576 1.00 1.11 O ATOM 1075 CB GLU A 77 -17.365 4.704 3.042 1.00 1.28 C ATOM 1076 CG GLU A 77 -17.319 5.858 4.029 1.00 1.30 C ATOM 1077 CD GLU A 77 -17.962 5.513 5.359 1.00 1.60 C ATOM 1078 OE1 GLU A 77 -17.260 4.965 6.233 1.00 1.94 O ATOM 1079 OE2 GLU A 77 -19.169 5.793 5.524 1.00 1.66 O ATOM 0 H GLU A 77 -16.688 3.044 1.202 1.00 1.28 H new ATOM 0 HA GLU A 77 -17.607 5.836 1.239 1.00 1.22 H new ATOM 0 HB2 GLU A 77 -18.381 4.311 3.004 1.00 1.28 H new ATOM 0 HB3 GLU A 77 -16.726 3.900 3.408 1.00 1.28 H new ATOM 0 HG2 GLU A 77 -16.282 6.148 4.195 1.00 1.30 H new ATOM 0 HG3 GLU A 77 -17.826 6.721 3.597 1.00 1.30 H new ATOM 1086 N LYS A 78 -15.447 6.997 1.770 1.00 1.12 N ATOM 1087 CA LYS A 78 -14.164 7.690 1.805 1.00 1.06 C ATOM 1088 C LYS A 78 -13.583 7.718 3.219 1.00 0.97 C ATOM 1089 O LYS A 78 -14.309 7.872 4.201 1.00 1.03 O ATOM 1090 CB LYS A 78 -14.305 9.114 1.252 1.00 1.19 C ATOM 1091 CG LYS A 78 -15.694 9.720 1.418 1.00 1.29 C ATOM 1092 CD LYS A 78 -16.123 9.764 2.873 1.00 1.78 C ATOM 1093 CE LYS A 78 -15.300 10.762 3.672 1.00 2.39 C ATOM 1094 NZ LYS A 78 -15.668 10.758 5.115 1.00 2.94 N ATOM 0 H LYS A 78 -16.259 7.610 1.839 1.00 1.12 H new ATOM 0 HA LYS A 78 -13.470 7.137 1.171 1.00 1.06 H new ATOM 0 HB2 LYS A 78 -13.579 9.757 1.750 1.00 1.19 H new ATOM 0 HB3 LYS A 78 -14.050 9.106 0.192 1.00 1.19 H new ATOM 0 HG2 LYS A 78 -15.701 10.730 1.007 1.00 1.29 H new ATOM 0 HG3 LYS A 78 -16.415 9.137 0.845 1.00 1.29 H new ATOM 0 HD2 LYS A 78 -17.178 10.031 2.933 1.00 1.78 H new ATOM 0 HD3 LYS A 78 -16.020 8.772 3.313 1.00 1.78 H new ATOM 0 HE2 LYS A 78 -14.241 10.526 3.567 1.00 2.39 H new ATOM 0 HE3 LYS A 78 -15.445 11.762 3.263 1.00 2.39 H new ATOM 0 HZ1 LYS A 78 -15.084 11.452 5.624 1.00 2.94 H new ATOM 0 HZ2 LYS A 78 -16.672 11.009 5.218 1.00 2.94 H new ATOM 0 HZ3 LYS A 78 -15.505 9.811 5.512 1.00 2.94 H new ATOM 1108 N VAL A 79 -12.267 7.554 3.313 1.00 0.89 N ATOM 1109 CA VAL A 79 -11.584 7.558 4.600 1.00 0.86 C ATOM 1110 C VAL A 79 -10.420 8.546 4.599 1.00 0.81 C ATOM 1111 O VAL A 79 -9.630 8.589 3.655 1.00 0.84 O ATOM 1112 CB VAL A 79 -11.059 6.155 4.962 1.00 0.90 C ATOM 1113 CG1 VAL A 79 -12.214 5.184 5.154 1.00 1.06 C ATOM 1114 CG2 VAL A 79 -10.105 5.648 3.892 1.00 1.05 C ATOM 0 H VAL A 79 -11.652 7.416 2.511 1.00 0.89 H new ATOM 0 HA VAL A 79 -12.315 7.865 5.348 1.00 0.86 H new ATOM 0 HB VAL A 79 -10.512 6.226 5.902 1.00 0.90 H new ATOM 0 HG11 VAL A 79 -11.823 4.199 5.409 1.00 1.06 H new ATOM 0 HG12 VAL A 79 -12.857 5.539 5.959 1.00 1.06 H new ATOM 0 HG13 VAL A 79 -12.791 5.118 4.231 1.00 1.06 H new ATOM 0 HG21 VAL A 79 -9.745 4.656 4.166 1.00 1.05 H new ATOM 0 HG22 VAL A 79 -10.626 5.594 2.936 1.00 1.05 H new ATOM 0 HG23 VAL A 79 -9.259 6.330 3.806 1.00 1.05 H new ATOM 1118 N LYS A 80 -10.322 9.341 5.659 1.00 0.79 N ATOM 1119 CA LYS A 80 -9.257 10.331 5.772 1.00 0.76 C ATOM 1120 C LYS A 80 -8.038 9.750 6.476 1.00 0.68 C ATOM 1121 O LYS A 80 -8.161 9.045 7.479 1.00 0.72 O ATOM 1122 CB LYS A 80 -9.756 11.569 6.521 1.00 0.84 C ATOM 1123 CG LYS A 80 -10.352 11.259 7.886 1.00 1.48 C ATOM 1124 CD LYS A 80 -10.883 12.514 8.560 1.00 1.82 C ATOM 1125 CE LYS A 80 -11.534 12.194 9.896 1.00 2.54 C ATOM 1126 NZ LYS A 80 -10.579 11.546 10.836 1.00 3.13 N ATOM 0 H LYS A 80 -10.965 9.320 6.450 1.00 0.79 H new ATOM 0 HA LYS A 80 -8.962 10.621 4.764 1.00 0.76 H new ATOM 0 HB2 LYS A 80 -8.927 12.266 6.646 1.00 0.84 H new ATOM 0 HB3 LYS A 80 -10.507 12.073 5.912 1.00 0.84 H new ATOM 0 HG2 LYS A 80 -11.159 10.535 7.776 1.00 1.48 H new ATOM 0 HG3 LYS A 80 -9.594 10.798 8.519 1.00 1.48 H new ATOM 0 HD2 LYS A 80 -10.067 13.220 8.711 1.00 1.82 H new ATOM 0 HD3 LYS A 80 -11.608 13.000 7.907 1.00 1.82 H new ATOM 0 HE2 LYS A 80 -11.917 13.112 10.342 1.00 2.54 H new ATOM 0 HE3 LYS A 80 -12.389 11.537 9.736 1.00 2.54 H new ATOM 0 HZ1 LYS A 80 -10.990 11.528 11.791 1.00 3.13 H new ATOM 0 HZ2 LYS A 80 -10.389 10.573 10.522 1.00 3.13 H new ATOM 0 HZ3 LYS A 80 -9.689 12.084 10.853 1.00 3.13 H new ATOM 1140 N ALA A 81 -6.859 10.048 5.939 1.00 0.64 N ATOM 1141 CA ALA A 81 -5.613 9.556 6.508 1.00 0.62 C ATOM 1142 C ALA A 81 -4.482 10.562 6.334 1.00 0.58 C ATOM 1143 O ALA A 81 -4.388 11.234 5.308 1.00 0.60 O ATOM 1144 CB ALA A 81 -5.233 8.231 5.868 1.00 0.69 C ATOM 0 H ALA A 81 -6.742 10.629 5.109 1.00 0.64 H new ATOM 0 HA ALA A 81 -5.770 9.410 7.577 1.00 0.62 H new ATOM 0 HB1 ALA A 81 -4.299 7.872 6.301 1.00 0.69 H new ATOM 0 HB2 ALA A 81 -6.021 7.500 6.049 1.00 0.69 H new ATOM 0 HB3 ALA A 81 -5.105 8.369 4.794 1.00 0.69 H new ATOM 1150 N VAL A 82 -3.627 10.658 7.346 1.00 0.58 N ATOM 1151 CA VAL A 82 -2.492 11.568 7.306 1.00 0.56 C ATOM 1152 C VAL A 82 -1.184 10.790 7.199 1.00 0.50 C ATOM 1153 O VAL A 82 -0.888 9.930 8.031 1.00 0.48 O ATOM 1154 CB VAL A 82 -2.452 12.480 8.550 1.00 0.59 C ATOM 1155 CG1 VAL A 82 -2.444 11.651 9.828 1.00 1.40 C ATOM 1156 CG2 VAL A 82 -1.243 13.403 8.501 1.00 1.34 C ATOM 0 H VAL A 82 -3.700 10.114 8.206 1.00 0.58 H new ATOM 0 HA VAL A 82 -2.611 12.197 6.424 1.00 0.56 H new ATOM 0 HB VAL A 82 -3.352 13.095 8.549 1.00 0.59 H new ATOM 0 HG11 VAL A 82 -2.416 12.315 10.692 1.00 1.40 H new ATOM 0 HG12 VAL A 82 -3.345 11.039 9.870 1.00 1.40 H new ATOM 0 HG13 VAL A 82 -1.566 11.005 9.837 1.00 1.40 H new ATOM 0 HG21 VAL A 82 -1.234 14.038 9.387 1.00 1.34 H new ATOM 0 HG22 VAL A 82 -0.331 12.807 8.472 1.00 1.34 H new ATOM 0 HG23 VAL A 82 -1.297 14.027 7.609 1.00 1.34 H new ATOM 1160 N VAL A 83 -0.407 11.088 6.163 1.00 0.50 N ATOM 1161 CA VAL A 83 0.865 10.416 5.946 1.00 0.47 C ATOM 1162 C VAL A 83 2.031 11.355 6.228 1.00 0.45 C ATOM 1163 O VAL A 83 2.039 12.500 5.781 1.00 0.53 O ATOM 1164 CB VAL A 83 0.979 9.882 4.503 1.00 0.55 C ATOM 1165 CG1 VAL A 83 0.777 11.007 3.501 1.00 1.26 C ATOM 1166 CG2 VAL A 83 2.321 9.199 4.283 1.00 1.11 C ATOM 0 H VAL A 83 -0.638 11.791 5.461 1.00 0.50 H new ATOM 0 HA VAL A 83 0.905 9.574 6.637 1.00 0.47 H new ATOM 0 HB VAL A 83 0.194 9.141 4.350 1.00 0.55 H new ATOM 0 HG11 VAL A 83 0.861 10.612 2.489 1.00 1.26 H new ATOM 0 HG12 VAL A 83 -0.212 11.444 3.639 1.00 1.26 H new ATOM 0 HG13 VAL A 83 1.537 11.773 3.656 1.00 1.26 H new ATOM 0 HG21 VAL A 83 2.378 8.831 3.259 1.00 1.11 H new ATOM 0 HG22 VAL A 83 3.126 9.913 4.457 1.00 1.11 H new ATOM 0 HG23 VAL A 83 2.422 8.363 4.975 1.00 1.11 H new ATOM 1170 N LYS A 84 3.012 10.863 6.978 1.00 0.41 N ATOM 1171 CA LYS A 84 4.186 11.658 7.321 1.00 0.43 C ATOM 1172 C LYS A 84 5.464 10.875 7.071 1.00 0.42 C ATOM 1173 O LYS A 84 5.476 9.646 7.133 1.00 0.44 O ATOM 1174 CB LYS A 84 4.132 12.097 8.782 1.00 0.48 C ATOM 1175 CG LYS A 84 2.851 12.825 9.146 1.00 0.78 C ATOM 1176 CD LYS A 84 2.955 13.494 10.504 1.00 0.91 C ATOM 1177 CE LYS A 84 1.927 14.604 10.647 1.00 1.51 C ATOM 1178 NZ LYS A 84 2.046 15.310 11.953 1.00 2.11 N ATOM 0 H LYS A 84 3.017 9.917 7.360 1.00 0.41 H new ATOM 0 HA LYS A 84 4.185 12.542 6.683 1.00 0.43 H new ATOM 0 HB2 LYS A 84 4.237 11.220 9.421 1.00 0.48 H new ATOM 0 HB3 LYS A 84 4.982 12.747 8.990 1.00 0.48 H new ATOM 0 HG2 LYS A 84 2.630 13.575 8.386 1.00 0.78 H new ATOM 0 HG3 LYS A 84 2.020 12.120 9.150 1.00 0.78 H new ATOM 0 HD2 LYS A 84 2.807 12.753 11.290 1.00 0.91 H new ATOM 0 HD3 LYS A 84 3.957 13.903 10.636 1.00 0.91 H new ATOM 0 HE2 LYS A 84 2.052 15.320 9.835 1.00 1.51 H new ATOM 0 HE3 LYS A 84 0.925 14.185 10.551 1.00 1.51 H new ATOM 0 HZ1 LYS A 84 1.327 16.059 12.009 1.00 2.11 H new ATOM 0 HZ2 LYS A 84 1.902 14.632 12.728 1.00 2.11 H new ATOM 0 HZ3 LYS A 84 2.993 15.732 12.034 1.00 2.11 H new ATOM 1192 N MET A 85 6.541 11.596 6.785 1.00 0.48 N ATOM 1193 CA MET A 85 7.825 10.967 6.524 1.00 0.52 C ATOM 1194 C MET A 85 8.780 11.161 7.697 1.00 0.57 C ATOM 1195 O MET A 85 8.797 12.215 8.333 1.00 0.67 O ATOM 1196 CB MET A 85 8.441 11.525 5.239 1.00 0.68 C ATOM 1197 CG MET A 85 8.565 13.041 5.224 1.00 1.26 C ATOM 1198 SD MET A 85 10.048 13.632 6.062 1.00 1.83 S ATOM 1199 CE MET A 85 11.324 13.006 4.971 1.00 2.62 C ATOM 0 H MET A 85 6.549 12.614 6.728 1.00 0.48 H new ATOM 0 HA MET A 85 7.657 9.897 6.398 1.00 0.52 H new ATOM 0 HB2 MET A 85 9.430 11.088 5.102 1.00 0.68 H new ATOM 0 HB3 MET A 85 7.833 11.211 4.390 1.00 0.68 H new ATOM 0 HG2 MET A 85 8.574 13.390 4.191 1.00 1.26 H new ATOM 0 HG3 MET A 85 7.687 13.477 5.700 1.00 1.26 H new ATOM 0 HE1 MET A 85 12.280 13.463 5.229 1.00 2.62 H new ATOM 0 HE2 MET A 85 11.398 11.924 5.080 1.00 2.62 H new ATOM 0 HE3 MET A 85 11.072 13.250 3.939 1.00 2.62 H new ATOM 1209 N GLU A 86 9.567 10.129 7.982 1.00 0.60 N ATOM 1210 CA GLU A 86 10.532 10.178 9.074 1.00 0.73 C ATOM 1211 C GLU A 86 11.937 10.407 8.530 1.00 0.84 C ATOM 1212 O GLU A 86 12.868 10.704 9.277 1.00 1.00 O ATOM 1213 CB GLU A 86 10.482 8.876 9.879 1.00 0.77 C ATOM 1214 CG GLU A 86 11.418 8.857 11.076 1.00 1.07 C ATOM 1215 CD GLU A 86 11.162 10.003 12.035 1.00 1.44 C ATOM 1216 OE1 GLU A 86 10.303 9.850 12.929 1.00 1.48 O ATOM 1217 OE2 GLU A 86 11.820 11.056 11.891 1.00 2.06 O ATOM 0 H GLU A 86 9.555 9.247 7.470 1.00 0.60 H new ATOM 0 HA GLU A 86 10.274 11.009 9.731 1.00 0.73 H new ATOM 0 HB2 GLU A 86 9.461 8.713 10.225 1.00 0.77 H new ATOM 0 HB3 GLU A 86 10.732 8.044 9.221 1.00 0.77 H new ATOM 0 HG2 GLU A 86 11.304 7.912 11.607 1.00 1.07 H new ATOM 0 HG3 GLU A 86 12.449 8.904 10.727 1.00 1.07 H new ATOM 1224 N GLY A 87 12.072 10.273 7.217 1.00 0.80 N ATOM 1225 CA GLY A 87 13.357 10.467 6.578 1.00 0.95 C ATOM 1226 C GLY A 87 13.714 9.341 5.636 1.00 0.81 C ATOM 1227 O GLY A 87 12.932 8.987 4.753 1.00 1.62 O ATOM 0 H GLY A 87 11.311 10.033 6.582 1.00 0.80 H new ATOM 0 HA2 GLY A 87 13.346 11.407 6.027 1.00 0.95 H new ATOM 0 HA3 GLY A 87 14.129 10.555 7.342 1.00 0.95 H new ATOM 1231 N ASP A 88 14.900 8.780 5.821 1.00 0.89 N ATOM 1232 CA ASP A 88 15.364 7.694 4.980 1.00 1.05 C ATOM 1233 C ASP A 88 15.197 6.354 5.682 1.00 0.98 C ATOM 1234 O ASP A 88 15.619 6.183 6.824 1.00 1.56 O ATOM 1235 CB ASP A 88 16.832 7.906 4.602 1.00 1.46 C ATOM 1236 CG ASP A 88 17.063 9.234 3.907 1.00 2.14 C ATOM 1237 OD1 ASP A 88 16.867 9.302 2.675 1.00 2.57 O ATOM 1238 OD2 ASP A 88 17.439 10.206 4.595 1.00 2.84 O ATOM 0 H ASP A 88 15.557 9.062 6.548 1.00 0.89 H new ATOM 0 HA ASP A 88 14.760 7.686 4.073 1.00 1.05 H new ATOM 0 HB2 ASP A 88 17.447 7.857 5.501 1.00 1.46 H new ATOM 0 HB3 ASP A 88 17.157 7.096 3.949 1.00 1.46 H new ATOM 1243 N ASN A 89 14.558 5.426 4.978 1.00 0.54 N ATOM 1244 CA ASN A 89 14.322 4.066 5.474 1.00 0.51 C ATOM 1245 C ASN A 89 13.144 3.993 6.440 1.00 0.46 C ATOM 1246 O ASN A 89 12.728 2.900 6.815 1.00 0.55 O ATOM 1247 CB ASN A 89 15.575 3.495 6.145 1.00 0.61 C ATOM 1248 CG ASN A 89 16.787 3.509 5.232 1.00 1.42 C ATOM 1249 OD1 ASN A 89 16.918 4.371 4.363 1.00 2.19 O ATOM 1250 ND2 ASN A 89 17.685 2.551 5.430 1.00 2.22 N ATOM 0 H ASN A 89 14.186 5.592 4.043 1.00 0.54 H new ATOM 0 HA ASN A 89 14.076 3.462 4.600 1.00 0.51 H new ATOM 0 HB2 ASN A 89 15.796 4.071 7.043 1.00 0.61 H new ATOM 0 HB3 ASN A 89 15.377 2.472 6.463 1.00 0.61 H new ATOM 0 HD21 ASN A 89 18.523 2.510 4.850 1.00 2.22 H new ATOM 0 HD22 ASN A 89 17.537 1.856 6.162 1.00 2.22 H new ATOM 1255 N LYS A 90 12.594 5.136 6.832 1.00 0.46 N ATOM 1256 CA LYS A 90 11.475 5.137 7.771 1.00 0.49 C ATOM 1257 C LYS A 90 10.321 6.023 7.307 1.00 0.46 C ATOM 1258 O LYS A 90 10.509 7.190 6.964 1.00 0.53 O ATOM 1259 CB LYS A 90 11.948 5.572 9.158 1.00 0.70 C ATOM 1260 CG LYS A 90 12.946 4.616 9.783 1.00 0.64 C ATOM 1261 CD LYS A 90 14.375 4.968 9.404 1.00 1.25 C ATOM 1262 CE LYS A 90 15.370 3.988 10.006 1.00 1.43 C ATOM 1263 NZ LYS A 90 15.349 4.018 11.495 1.00 2.05 N ATOM 0 H LYS A 90 12.896 6.059 6.522 1.00 0.46 H new ATOM 0 HA LYS A 90 11.097 4.116 7.817 1.00 0.49 H new ATOM 0 HB2 LYS A 90 12.400 6.561 9.086 1.00 0.70 H new ATOM 0 HB3 LYS A 90 11.084 5.664 9.816 1.00 0.70 H new ATOM 0 HG2 LYS A 90 12.841 4.638 10.868 1.00 0.64 H new ATOM 0 HG3 LYS A 90 12.725 3.598 9.462 1.00 0.64 H new ATOM 0 HD2 LYS A 90 14.475 4.968 8.319 1.00 1.25 H new ATOM 0 HD3 LYS A 90 14.605 5.977 9.746 1.00 1.25 H new ATOM 0 HE2 LYS A 90 15.141 2.980 9.660 1.00 1.43 H new ATOM 0 HE3 LYS A 90 16.373 4.226 9.652 1.00 1.43 H new ATOM 0 HZ1 LYS A 90 16.160 3.482 11.864 1.00 2.05 H new ATOM 0 HZ2 LYS A 90 15.407 5.003 11.823 1.00 2.05 H new ATOM 0 HZ3 LYS A 90 14.466 3.590 11.838 1.00 2.05 H new ATOM 1277 N MET A 91 9.124 5.441 7.303 1.00 0.42 N ATOM 1278 CA MET A 91 7.908 6.146 6.905 1.00 0.45 C ATOM 1279 C MET A 91 6.747 5.722 7.799 1.00 0.42 C ATOM 1280 O MET A 91 6.586 4.536 8.090 1.00 0.46 O ATOM 1281 CB MET A 91 7.577 5.854 5.439 1.00 0.49 C ATOM 1282 CG MET A 91 8.580 6.441 4.460 1.00 1.03 C ATOM 1283 SD MET A 91 8.548 8.242 4.434 1.00 1.51 S ATOM 1284 CE MET A 91 9.806 8.585 3.207 1.00 1.96 C ATOM 0 H MET A 91 8.970 4.470 7.575 1.00 0.42 H new ATOM 0 HA MET A 91 8.071 7.218 7.017 1.00 0.45 H new ATOM 0 HB2 MET A 91 7.529 4.775 5.294 1.00 0.49 H new ATOM 0 HB3 MET A 91 6.587 6.250 5.213 1.00 0.49 H new ATOM 0 HG2 MET A 91 9.582 6.103 4.725 1.00 1.03 H new ATOM 0 HG3 MET A 91 8.370 6.063 3.460 1.00 1.03 H new ATOM 0 HE1 MET A 91 9.904 9.663 3.078 1.00 1.96 H new ATOM 0 HE2 MET A 91 10.759 8.171 3.537 1.00 1.96 H new ATOM 0 HE3 MET A 91 9.522 8.130 2.258 1.00 1.96 H new ATOM 1294 N VAL A 92 5.936 6.684 8.234 1.00 0.40 N ATOM 1295 CA VAL A 92 4.806 6.379 9.103 1.00 0.39 C ATOM 1296 C VAL A 92 3.508 6.996 8.591 1.00 0.38 C ATOM 1297 O VAL A 92 3.403 8.211 8.419 1.00 0.42 O ATOM 1298 CB VAL A 92 5.070 6.853 10.548 1.00 0.45 C ATOM 1299 CG1 VAL A 92 5.437 8.329 10.576 1.00 1.46 C ATOM 1300 CG2 VAL A 92 3.863 6.581 11.432 1.00 1.45 C ATOM 0 H VAL A 92 6.040 7.672 8.001 1.00 0.40 H new ATOM 0 HA VAL A 92 4.694 5.295 9.098 1.00 0.39 H new ATOM 0 HB VAL A 92 5.915 6.287 10.941 1.00 0.45 H new ATOM 0 HG11 VAL A 92 5.618 8.639 11.605 1.00 1.46 H new ATOM 0 HG12 VAL A 92 6.338 8.491 9.984 1.00 1.46 H new ATOM 0 HG13 VAL A 92 4.618 8.915 10.159 1.00 1.46 H new ATOM 0 HG21 VAL A 92 4.070 6.923 12.446 1.00 1.45 H new ATOM 0 HG22 VAL A 92 2.997 7.114 11.039 1.00 1.45 H new ATOM 0 HG23 VAL A 92 3.655 5.511 11.445 1.00 1.45 H new ATOM 1304 N THR A 93 2.522 6.138 8.342 1.00 0.37 N ATOM 1305 CA THR A 93 1.215 6.575 7.862 1.00 0.40 C ATOM 1306 C THR A 93 0.103 5.895 8.655 1.00 0.41 C ATOM 1307 O THR A 93 0.158 4.691 8.905 1.00 0.44 O ATOM 1308 CB THR A 93 1.032 6.271 6.362 1.00 0.44 C ATOM 1309 OG1 THR A 93 -0.298 6.607 5.951 1.00 0.52 O ATOM 1310 CG2 THR A 93 1.301 4.803 6.067 1.00 0.47 C ATOM 0 H THR A 93 2.605 5.129 8.466 1.00 0.37 H new ATOM 0 HA THR A 93 1.160 7.654 8.005 1.00 0.40 H new ATOM 0 HB THR A 93 1.749 6.874 5.805 1.00 0.44 H new ATOM 0 HG1 THR A 93 -0.746 5.807 5.605 1.00 0.52 H new ATOM 0 HG21 THR A 93 1.165 4.615 5.002 1.00 0.47 H new ATOM 0 HG22 THR A 93 2.324 4.556 6.351 1.00 0.47 H new ATOM 0 HG23 THR A 93 0.607 4.184 6.636 1.00 0.47 H new ATOM 1315 N THR A 94 -0.906 6.668 9.049 1.00 0.42 N ATOM 1316 CA THR A 94 -2.020 6.126 9.824 1.00 0.46 C ATOM 1317 C THR A 94 -3.361 6.418 9.161 1.00 0.51 C ATOM 1318 O THR A 94 -3.656 7.561 8.808 1.00 0.57 O ATOM 1319 CB THR A 94 -2.037 6.696 11.253 1.00 0.52 C ATOM 1320 OG1 THR A 94 -2.031 8.128 11.210 1.00 1.23 O ATOM 1321 CG2 THR A 94 -0.838 6.202 12.046 1.00 1.12 C ATOM 0 H THR A 94 -0.976 7.665 8.846 1.00 0.42 H new ATOM 0 HA THR A 94 -1.871 5.047 9.866 1.00 0.46 H new ATOM 0 HB THR A 94 -2.946 6.352 11.747 1.00 0.52 H new ATOM 0 HG1 THR A 94 -2.620 8.436 10.490 1.00 1.23 H new ATOM 0 HG21 THR A 94 -0.871 6.618 13.053 1.00 1.12 H new ATOM 0 HG22 THR A 94 -0.862 5.114 12.102 1.00 1.12 H new ATOM 0 HG23 THR A 94 0.081 6.520 11.552 1.00 1.12 H new ATOM 1326 N PHE A 95 -4.171 5.376 8.997 1.00 0.53 N ATOM 1327 CA PHE A 95 -5.487 5.517 8.384 1.00 0.61 C ATOM 1328 C PHE A 95 -6.526 4.677 9.124 1.00 0.67 C ATOM 1329 O PHE A 95 -6.330 3.481 9.342 1.00 0.76 O ATOM 1330 CB PHE A 95 -5.438 5.118 6.905 1.00 0.73 C ATOM 1331 CG PHE A 95 -5.119 3.667 6.668 1.00 0.58 C ATOM 1332 CD1 PHE A 95 -3.837 3.182 6.878 1.00 0.58 C ATOM 1333 CD2 PHE A 95 -6.102 2.791 6.239 1.00 0.73 C ATOM 1334 CE1 PHE A 95 -3.543 1.849 6.664 1.00 0.75 C ATOM 1335 CE2 PHE A 95 -5.813 1.458 6.023 1.00 0.94 C ATOM 1336 CZ PHE A 95 -4.527 0.988 6.226 1.00 0.96 C ATOM 0 H PHE A 95 -3.938 4.424 9.280 1.00 0.53 H new ATOM 0 HA PHE A 95 -5.780 6.564 8.454 1.00 0.61 H new ATOM 0 HB2 PHE A 95 -6.400 5.346 6.447 1.00 0.73 H new ATOM 0 HB3 PHE A 95 -4.691 5.730 6.400 1.00 0.73 H new ATOM 0 HD1 PHE A 95 -3.060 3.853 7.212 1.00 0.58 H new ATOM 0 HD2 PHE A 95 -7.105 3.154 6.072 1.00 0.73 H new ATOM 0 HE1 PHE A 95 -2.543 1.482 6.840 1.00 0.75 H new ATOM 0 HE2 PHE A 95 -6.590 0.783 5.696 1.00 0.94 H new ATOM 0 HZ PHE A 95 -4.295 -0.051 6.042 1.00 0.96 H new ATOM 1346 N LYS A 96 -7.624 5.319 9.515 1.00 0.74 N ATOM 1347 CA LYS A 96 -8.706 4.647 10.234 1.00 0.83 C ATOM 1348 C LYS A 96 -8.223 4.093 11.575 1.00 0.85 C ATOM 1349 O LYS A 96 -8.418 4.718 12.617 1.00 1.43 O ATOM 1350 CB LYS A 96 -9.301 3.525 9.375 1.00 0.91 C ATOM 1351 CG LYS A 96 -10.478 2.817 10.025 1.00 1.27 C ATOM 1352 CD LYS A 96 -11.169 1.866 9.057 1.00 1.53 C ATOM 1353 CE LYS A 96 -10.373 0.583 8.851 1.00 1.76 C ATOM 1354 NZ LYS A 96 -9.140 0.811 8.046 1.00 2.52 N ATOM 0 H LYS A 96 -7.789 6.311 9.345 1.00 0.74 H new ATOM 0 HA LYS A 96 -9.482 5.385 10.437 1.00 0.83 H new ATOM 0 HB2 LYS A 96 -9.621 3.942 8.420 1.00 0.91 H new ATOM 0 HB3 LYS A 96 -8.523 2.793 9.159 1.00 0.91 H new ATOM 0 HG2 LYS A 96 -10.132 2.261 10.896 1.00 1.27 H new ATOM 0 HG3 LYS A 96 -11.195 3.556 10.383 1.00 1.27 H new ATOM 0 HD2 LYS A 96 -12.161 1.620 9.436 1.00 1.53 H new ATOM 0 HD3 LYS A 96 -11.309 2.364 8.097 1.00 1.53 H new ATOM 0 HE2 LYS A 96 -10.100 0.167 9.821 1.00 1.76 H new ATOM 0 HE3 LYS A 96 -11.000 -0.156 8.352 1.00 1.76 H new ATOM 0 HZ1 LYS A 96 -9.033 0.045 7.351 1.00 2.52 H new ATOM 0 HZ2 LYS A 96 -9.213 1.722 7.549 1.00 2.52 H new ATOM 0 HZ3 LYS A 96 -8.312 0.825 8.675 1.00 2.52 H new ATOM 1368 N GLY A 97 -7.595 2.919 11.545 1.00 0.78 N ATOM 1369 CA GLY A 97 -7.099 2.312 12.768 1.00 0.80 C ATOM 1370 C GLY A 97 -5.988 1.312 12.512 1.00 0.70 C ATOM 1371 O GLY A 97 -5.571 0.592 13.418 1.00 0.83 O ATOM 0 H GLY A 97 -7.422 2.379 10.697 1.00 0.78 H new ATOM 0 HA2 GLY A 97 -6.734 3.093 13.435 1.00 0.80 H new ATOM 0 HA3 GLY A 97 -7.921 1.813 13.281 1.00 0.80 H new ATOM 1375 N ILE A 98 -5.511 1.268 11.271 1.00 0.57 N ATOM 1376 CA ILE A 98 -4.440 0.353 10.893 1.00 0.50 C ATOM 1377 C ILE A 98 -3.100 1.076 10.826 1.00 0.45 C ATOM 1378 O ILE A 98 -3.013 2.196 10.319 1.00 0.48 O ATOM 1379 CB ILE A 98 -4.726 -0.309 9.529 1.00 0.52 C ATOM 1380 CG1 ILE A 98 -6.055 -1.067 9.575 1.00 0.71 C ATOM 1381 CG2 ILE A 98 -3.586 -1.244 9.143 1.00 0.59 C ATOM 1382 CD1 ILE A 98 -6.494 -1.609 8.231 1.00 1.45 C ATOM 0 H ILE A 98 -5.850 1.856 10.510 1.00 0.57 H new ATOM 0 HA ILE A 98 -4.394 -0.419 11.661 1.00 0.50 H new ATOM 0 HB ILE A 98 -4.801 0.471 8.771 1.00 0.52 H new ATOM 0 HG12 ILE A 98 -5.967 -1.894 10.279 1.00 0.71 H new ATOM 0 HG13 ILE A 98 -6.829 -0.402 9.959 1.00 0.71 H new ATOM 0 HG21 ILE A 98 -3.803 -1.703 8.179 1.00 0.59 H new ATOM 0 HG22 ILE A 98 -2.658 -0.677 9.074 1.00 0.59 H new ATOM 0 HG23 ILE A 98 -3.481 -2.022 9.900 1.00 0.59 H new ATOM 0 HD11 ILE A 98 -7.443 -2.133 8.343 1.00 1.45 H new ATOM 0 HD12 ILE A 98 -6.615 -0.785 7.528 1.00 1.45 H new ATOM 0 HD13 ILE A 98 -5.740 -2.300 7.853 1.00 1.45 H new ATOM 1386 N LYS A 99 -2.056 0.433 11.342 1.00 0.41 N ATOM 1387 CA LYS A 99 -0.723 1.022 11.336 1.00 0.39 C ATOM 1388 C LYS A 99 0.095 0.490 10.168 1.00 0.37 C ATOM 1389 O LYS A 99 0.305 -0.716 10.042 1.00 0.40 O ATOM 1390 CB LYS A 99 0.008 0.720 12.644 1.00 0.42 C ATOM 1391 CG LYS A 99 1.002 1.799 13.041 1.00 0.95 C ATOM 1392 CD LYS A 99 1.506 1.605 14.463 1.00 1.46 C ATOM 1393 CE LYS A 99 2.311 0.323 14.606 1.00 2.05 C ATOM 1394 NZ LYS A 99 2.853 0.158 15.983 1.00 2.71 N ATOM 0 H LYS A 99 -2.108 -0.492 11.768 1.00 0.41 H new ATOM 0 HA LYS A 99 -0.838 2.101 11.231 1.00 0.39 H new ATOM 0 HB2 LYS A 99 -0.725 0.600 13.442 1.00 0.42 H new ATOM 0 HB3 LYS A 99 0.533 -0.230 12.547 1.00 0.42 H new ATOM 0 HG2 LYS A 99 1.846 1.788 12.351 1.00 0.95 H new ATOM 0 HG3 LYS A 99 0.531 2.778 12.952 1.00 0.95 H new ATOM 0 HD2 LYS A 99 2.124 2.456 14.749 1.00 1.46 H new ATOM 0 HD3 LYS A 99 0.659 1.581 15.149 1.00 1.46 H new ATOM 0 HE2 LYS A 99 1.680 -0.531 14.359 1.00 2.05 H new ATOM 0 HE3 LYS A 99 3.133 0.329 13.891 1.00 2.05 H new ATOM 0 HZ1 LYS A 99 3.395 -0.728 16.039 1.00 2.71 H new ATOM 0 HZ2 LYS A 99 3.475 0.960 16.210 1.00 2.71 H new ATOM 0 HZ3 LYS A 99 2.067 0.126 16.664 1.00 2.71 H new ATOM 1408 N SER A 100 0.555 1.398 9.316 1.00 0.36 N ATOM 1409 CA SER A 100 1.358 1.019 8.164 1.00 0.36 C ATOM 1410 C SER A 100 2.727 1.685 8.217 1.00 0.34 C ATOM 1411 O SER A 100 2.834 2.911 8.237 1.00 0.34 O ATOM 1412 CB SER A 100 0.642 1.393 6.864 1.00 0.40 C ATOM 1413 OG SER A 100 -0.530 0.618 6.688 1.00 1.23 O ATOM 0 H SER A 100 0.385 2.400 9.402 1.00 0.36 H new ATOM 0 HA SER A 100 1.497 -0.062 8.190 1.00 0.36 H new ATOM 0 HB2 SER A 100 0.383 2.452 6.879 1.00 0.40 H new ATOM 0 HB3 SER A 100 1.313 1.241 6.019 1.00 0.40 H new ATOM 0 HG SER A 100 -0.962 0.865 5.844 1.00 1.23 H new ATOM 1419 N VAL A 101 3.772 0.865 8.239 1.00 0.34 N ATOM 1420 CA VAL A 101 5.137 1.371 8.283 1.00 0.33 C ATOM 1421 C VAL A 101 5.924 0.875 7.079 1.00 0.33 C ATOM 1422 O VAL A 101 6.044 -0.331 6.856 1.00 0.36 O ATOM 1423 CB VAL A 101 5.857 0.937 9.577 1.00 0.37 C ATOM 1424 CG1 VAL A 101 7.264 1.514 9.629 1.00 0.49 C ATOM 1425 CG2 VAL A 101 5.055 1.358 10.800 1.00 0.59 C ATOM 0 H VAL A 101 3.699 -0.152 8.227 1.00 0.34 H new ATOM 0 HA VAL A 101 5.084 2.460 8.264 1.00 0.33 H new ATOM 0 HB VAL A 101 5.937 -0.150 9.578 1.00 0.37 H new ATOM 0 HG11 VAL A 101 7.754 1.196 10.549 1.00 0.49 H new ATOM 0 HG12 VAL A 101 7.835 1.158 8.772 1.00 0.49 H new ATOM 0 HG13 VAL A 101 7.212 2.602 9.603 1.00 0.49 H new ATOM 0 HG21 VAL A 101 5.578 1.044 11.704 1.00 0.59 H new ATOM 0 HG22 VAL A 101 4.941 2.442 10.805 1.00 0.59 H new ATOM 0 HG23 VAL A 101 4.071 0.890 10.769 1.00 0.59 H new ATOM 1429 N THR A 102 6.460 1.811 6.306 1.00 0.35 N ATOM 1430 CA THR A 102 7.224 1.469 5.116 1.00 0.40 C ATOM 1431 C THR A 102 8.689 1.864 5.254 1.00 0.37 C ATOM 1432 O THR A 102 9.008 2.993 5.629 1.00 0.39 O ATOM 1433 CB THR A 102 6.637 2.150 3.865 1.00 0.50 C ATOM 1434 OG1 THR A 102 5.258 1.783 3.712 1.00 0.55 O ATOM 1435 CG2 THR A 102 7.409 1.754 2.615 1.00 0.59 C ATOM 0 H THR A 102 6.379 2.812 6.483 1.00 0.35 H new ATOM 0 HA THR A 102 7.160 0.387 5.005 1.00 0.40 H new ATOM 0 HB THR A 102 6.719 3.229 3.996 1.00 0.50 H new ATOM 0 HG1 THR A 102 5.063 1.632 2.764 1.00 0.55 H new ATOM 0 HG21 THR A 102 6.974 2.249 1.747 1.00 0.59 H new ATOM 0 HG22 THR A 102 8.451 2.056 2.720 1.00 0.59 H new ATOM 0 HG23 THR A 102 7.356 0.674 2.482 1.00 0.59 H new ATOM 1440 N GLU A 103 9.573 0.922 4.948 1.00 0.37 N ATOM 1441 CA GLU A 103 11.009 1.165 5.010 1.00 0.38 C ATOM 1442 C GLU A 103 11.519 1.530 3.622 1.00 0.41 C ATOM 1443 O GLU A 103 11.363 0.758 2.677 1.00 0.47 O ATOM 1444 CB GLU A 103 11.737 -0.077 5.530 1.00 0.43 C ATOM 1445 CG GLU A 103 13.248 0.079 5.598 1.00 1.12 C ATOM 1446 CD GLU A 103 13.939 -1.173 6.105 1.00 1.63 C ATOM 1447 OE1 GLU A 103 14.251 -2.055 5.278 1.00 2.10 O ATOM 1448 OE2 GLU A 103 14.166 -1.270 7.329 1.00 2.08 O ATOM 0 H GLU A 103 9.319 -0.021 4.653 1.00 0.37 H new ATOM 0 HA GLU A 103 11.204 1.990 5.696 1.00 0.38 H new ATOM 0 HB2 GLU A 103 11.361 -0.317 6.525 1.00 0.43 H new ATOM 0 HB3 GLU A 103 11.497 -0.923 4.886 1.00 0.43 H new ATOM 0 HG2 GLU A 103 13.630 0.325 4.607 1.00 1.12 H new ATOM 0 HG3 GLU A 103 13.495 0.916 6.251 1.00 1.12 H new ATOM 1455 N PHE A 104 12.127 2.707 3.494 1.00 0.43 N ATOM 1456 CA PHE A 104 12.621 3.151 2.193 1.00 0.49 C ATOM 1457 C PHE A 104 14.128 2.960 2.055 1.00 0.52 C ATOM 1458 O PHE A 104 14.917 3.599 2.749 1.00 0.62 O ATOM 1459 CB PHE A 104 12.267 4.623 1.969 1.00 0.64 C ATOM 1460 CG PHE A 104 11.431 4.860 0.746 1.00 0.56 C ATOM 1461 CD1 PHE A 104 10.049 4.780 0.808 1.00 0.61 C ATOM 1462 CD2 PHE A 104 12.027 5.162 -0.469 1.00 0.69 C ATOM 1463 CE1 PHE A 104 9.276 4.997 -0.319 1.00 0.79 C ATOM 1464 CE2 PHE A 104 11.260 5.380 -1.598 1.00 0.78 C ATOM 1465 CZ PHE A 104 9.879 5.299 -1.519 1.00 0.83 C ATOM 0 H PHE A 104 12.288 3.361 4.260 1.00 0.43 H new ATOM 0 HA PHE A 104 12.136 2.534 1.436 1.00 0.49 H new ATOM 0 HB2 PHE A 104 11.732 4.996 2.842 1.00 0.64 H new ATOM 0 HB3 PHE A 104 13.187 5.201 1.887 1.00 0.64 H new ATOM 0 HD1 PHE A 104 9.570 4.546 1.747 1.00 0.61 H new ATOM 0 HD2 PHE A 104 13.103 5.228 -0.534 1.00 0.69 H new ATOM 0 HE1 PHE A 104 8.200 4.929 -0.257 1.00 0.79 H new ATOM 0 HE2 PHE A 104 11.736 5.613 -2.539 1.00 0.78 H new ATOM 0 HZ PHE A 104 9.276 5.473 -2.398 1.00 0.83 H new ATOM 1475 N ASN A 105 14.515 2.102 1.118 1.00 0.53 N ATOM 1476 CA ASN A 105 15.920 1.821 0.856 1.00 0.62 C ATOM 1477 C ASN A 105 16.231 2.047 -0.617 1.00 0.67 C ATOM 1478 O ASN A 105 15.344 1.953 -1.464 1.00 0.81 O ATOM 1479 CB ASN A 105 16.273 0.384 1.252 1.00 0.69 C ATOM 1480 CG ASN A 105 15.880 0.056 2.681 1.00 1.24 C ATOM 1481 OD1 ASN A 105 15.933 1.053 3.558 1.00 1.72 O flip ATOM 1482 ND2 ASN A 105 15.534 -1.083 2.994 1.00 1.53 N flip ATOM 0 H ASN A 105 13.868 1.585 0.523 1.00 0.53 H new ATOM 0 HA ASN A 105 16.523 2.500 1.458 1.00 0.62 H new ATOM 0 HB2 ASN A 105 15.773 -0.308 0.574 1.00 0.69 H new ATOM 0 HB3 ASN A 105 17.345 0.231 1.130 1.00 0.69 H new ATOM 0 HD21 ASN A 105 15.507 -1.820 2.289 1.00 1.53 H new ATOM 0 HD22 ASN A 105 15.274 -1.290 3.958 1.00 1.53 H new ATOM 1487 N GLY A 106 17.484 2.351 -0.919 1.00 0.78 N ATOM 1488 CA GLY A 106 17.871 2.580 -2.296 1.00 0.82 C ATOM 1489 C GLY A 106 18.054 1.294 -3.078 1.00 0.94 C ATOM 1490 O GLY A 106 18.941 1.200 -3.925 1.00 1.44 O ATOM 0 H GLY A 106 18.238 2.443 -0.238 1.00 0.78 H new ATOM 0 HA2 GLY A 106 17.113 3.192 -2.785 1.00 0.82 H new ATOM 0 HA3 GLY A 106 18.801 3.148 -2.317 1.00 0.82 H new ATOM 1494 N ASP A 107 17.211 0.299 -2.800 1.00 0.74 N ATOM 1495 CA ASP A 107 17.301 -0.984 -3.488 1.00 0.93 C ATOM 1496 C ASP A 107 16.113 -1.891 -3.165 1.00 0.75 C ATOM 1497 O ASP A 107 15.633 -2.622 -4.033 1.00 0.67 O ATOM 1498 CB ASP A 107 18.603 -1.691 -3.113 1.00 1.22 C ATOM 1499 CG ASP A 107 18.752 -1.873 -1.615 1.00 1.91 C ATOM 1500 OD1 ASP A 107 18.292 -2.910 -1.094 1.00 2.43 O ATOM 1501 OD2 ASP A 107 19.328 -0.978 -0.963 1.00 2.55 O ATOM 0 H ASP A 107 16.464 0.358 -2.108 1.00 0.74 H new ATOM 0 HA ASP A 107 17.286 -0.781 -4.559 1.00 0.93 H new ATOM 0 HB2 ASP A 107 18.637 -2.666 -3.600 1.00 1.22 H new ATOM 0 HB3 ASP A 107 19.448 -1.116 -3.492 1.00 1.22 H new ATOM 1506 N THR A 108 15.641 -1.846 -1.922 1.00 0.74 N ATOM 1507 CA THR A 108 14.520 -2.692 -1.508 1.00 0.63 C ATOM 1508 C THR A 108 13.552 -1.961 -0.578 1.00 0.59 C ATOM 1509 O THR A 108 13.956 -1.408 0.444 1.00 0.77 O ATOM 1510 CB THR A 108 15.022 -3.966 -0.803 1.00 0.75 C ATOM 1511 OG1 THR A 108 15.923 -4.678 -1.660 1.00 1.39 O ATOM 1512 CG2 THR A 108 13.862 -4.873 -0.418 1.00 1.53 C ATOM 0 H THR A 108 16.011 -1.240 -1.189 1.00 0.74 H new ATOM 0 HA THR A 108 13.986 -2.959 -2.420 1.00 0.63 H new ATOM 0 HB THR A 108 15.542 -3.665 0.106 1.00 0.75 H new ATOM 0 HG1 THR A 108 16.810 -4.263 -1.620 1.00 1.39 H new ATOM 0 HG21 THR A 108 14.246 -5.764 0.078 1.00 1.53 H new ATOM 0 HG22 THR A 108 13.193 -4.341 0.259 1.00 1.53 H new ATOM 0 HG23 THR A 108 13.315 -5.164 -1.315 1.00 1.53 H new ATOM 1517 N ILE A 109 12.269 -1.977 -0.937 1.00 0.45 N ATOM 1518 CA ILE A 109 11.237 -1.329 -0.129 1.00 0.44 C ATOM 1519 C ILE A 109 10.300 -2.366 0.488 1.00 0.37 C ATOM 1520 O ILE A 109 9.782 -3.241 -0.207 1.00 0.36 O ATOM 1521 CB ILE A 109 10.418 -0.316 -0.968 1.00 0.51 C ATOM 1522 CG1 ILE A 109 11.133 1.038 -1.026 1.00 0.72 C ATOM 1523 CG2 ILE A 109 9.014 -0.144 -0.400 1.00 0.70 C ATOM 1524 CD1 ILE A 109 12.521 0.974 -1.623 1.00 1.54 C ATOM 0 H ILE A 109 11.920 -2.431 -1.781 1.00 0.45 H new ATOM 0 HA ILE A 109 11.742 -0.787 0.670 1.00 0.44 H new ATOM 0 HB ILE A 109 10.332 -0.712 -1.980 1.00 0.51 H new ATOM 0 HG12 ILE A 109 10.529 1.732 -1.610 1.00 0.72 H new ATOM 0 HG13 ILE A 109 11.201 1.445 -0.017 1.00 0.72 H new ATOM 0 HG21 ILE A 109 8.461 0.572 -1.008 1.00 0.70 H new ATOM 0 HG22 ILE A 109 8.497 -1.104 -0.410 1.00 0.70 H new ATOM 0 HG23 ILE A 109 9.078 0.223 0.624 1.00 0.70 H new ATOM 0 HD11 ILE A 109 12.961 1.971 -1.629 1.00 1.54 H new ATOM 0 HD12 ILE A 109 13.143 0.307 -1.027 1.00 1.54 H new ATOM 0 HD13 ILE A 109 12.461 0.598 -2.644 1.00 1.54 H new ATOM 1528 N THR A 110 10.090 -2.259 1.797 1.00 0.37 N ATOM 1529 CA THR A 110 9.220 -3.186 2.514 1.00 0.34 C ATOM 1530 C THR A 110 7.995 -2.472 3.081 1.00 0.32 C ATOM 1531 O THR A 110 8.091 -1.351 3.579 1.00 0.37 O ATOM 1532 CB THR A 110 9.975 -3.888 3.660 1.00 0.39 C ATOM 1533 OG1 THR A 110 11.096 -4.612 3.137 1.00 0.44 O ATOM 1534 CG2 THR A 110 9.057 -4.841 4.411 1.00 0.41 C ATOM 0 H THR A 110 10.511 -1.538 2.383 1.00 0.37 H new ATOM 0 HA THR A 110 8.892 -3.935 1.793 1.00 0.34 H new ATOM 0 HB THR A 110 10.326 -3.125 4.354 1.00 0.39 H new ATOM 0 HG1 THR A 110 11.572 -5.054 3.871 1.00 0.44 H new ATOM 0 HG21 THR A 110 9.613 -5.324 5.215 1.00 0.41 H new ATOM 0 HG22 THR A 110 8.220 -4.284 4.832 1.00 0.41 H new ATOM 0 HG23 THR A 110 8.679 -5.599 3.725 1.00 0.41 H new ATOM 1539 N ASN A 111 6.843 -3.132 2.999 1.00 0.31 N ATOM 1540 CA ASN A 111 5.595 -2.569 3.506 1.00 0.33 C ATOM 1541 C ASN A 111 5.080 -3.385 4.690 1.00 0.31 C ATOM 1542 O ASN A 111 5.024 -4.614 4.628 1.00 0.32 O ATOM 1543 CB ASN A 111 4.546 -2.527 2.394 1.00 0.39 C ATOM 1544 CG ASN A 111 3.206 -2.008 2.874 1.00 1.15 C ATOM 1545 OD1 ASN A 111 2.326 -2.919 3.269 1.00 1.89 O flip ATOM 1546 ND2 ASN A 111 2.962 -0.801 2.884 1.00 1.95 N flip ATOM 0 H ASN A 111 6.748 -4.059 2.585 1.00 0.31 H new ATOM 0 HA ASN A 111 5.787 -1.552 3.847 1.00 0.33 H new ATOM 0 HB2 ASN A 111 4.907 -1.894 1.583 1.00 0.39 H new ATOM 0 HB3 ASN A 111 4.417 -3.528 1.983 1.00 0.39 H new ATOM 0 HD21 ASN A 111 3.669 -0.135 2.571 1.00 1.95 H new ATOM 0 HD22 ASN A 111 2.053 -0.467 3.205 1.00 1.95 H new ATOM 1551 N THR A 112 4.704 -2.698 5.767 1.00 0.31 N ATOM 1552 CA THR A 112 4.206 -3.371 6.965 1.00 0.30 C ATOM 1553 C THR A 112 2.774 -2.959 7.291 1.00 0.30 C ATOM 1554 O THR A 112 2.503 -1.795 7.573 1.00 0.32 O ATOM 1555 CB THR A 112 5.090 -3.067 8.191 1.00 0.32 C ATOM 1556 OG1 THR A 112 6.463 -2.972 7.794 1.00 0.47 O ATOM 1557 CG2 THR A 112 4.939 -4.152 9.246 1.00 0.57 C ATOM 0 H THR A 112 4.734 -1.681 5.835 1.00 0.31 H new ATOM 0 HA THR A 112 4.234 -4.439 6.747 1.00 0.30 H new ATOM 0 HB THR A 112 4.768 -2.117 8.617 1.00 0.32 H new ATOM 0 HG1 THR A 112 6.633 -2.085 7.414 1.00 0.47 H new ATOM 0 HG21 THR A 112 5.571 -3.917 10.102 1.00 0.57 H new ATOM 0 HG22 THR A 112 3.899 -4.205 9.567 1.00 0.57 H new ATOM 0 HG23 THR A 112 5.239 -5.112 8.826 1.00 0.57 H new ATOM 1562 N MET A 113 1.864 -3.927 7.250 1.00 0.31 N ATOM 1563 CA MET A 113 0.460 -3.679 7.564 1.00 0.33 C ATOM 1564 C MET A 113 -0.006 -4.618 8.671 1.00 0.33 C ATOM 1565 O MET A 113 0.059 -5.839 8.526 1.00 0.35 O ATOM 1566 CB MET A 113 -0.408 -3.854 6.316 1.00 0.36 C ATOM 1567 CG MET A 113 -0.269 -2.715 5.319 1.00 0.45 C ATOM 1568 SD MET A 113 -1.297 -2.937 3.855 1.00 0.55 S ATOM 1569 CE MET A 113 -0.973 -1.407 2.981 1.00 1.51 C ATOM 0 H MET A 113 2.074 -4.894 7.002 1.00 0.31 H new ATOM 0 HA MET A 113 0.359 -2.651 7.912 1.00 0.33 H new ATOM 0 HB2 MET A 113 -0.142 -4.790 5.826 1.00 0.36 H new ATOM 0 HB3 MET A 113 -1.452 -3.938 6.618 1.00 0.36 H new ATOM 0 HG2 MET A 113 -0.537 -1.777 5.806 1.00 0.45 H new ATOM 0 HG3 MET A 113 0.774 -2.630 5.015 1.00 0.45 H new ATOM 0 HE1 MET A 113 -1.539 -1.393 2.050 1.00 1.51 H new ATOM 0 HE2 MET A 113 -1.274 -0.563 3.601 1.00 1.51 H new ATOM 0 HE3 MET A 113 0.092 -1.333 2.759 1.00 1.51 H new ATOM 1579 N THR A 114 -0.475 -4.049 9.778 1.00 0.34 N ATOM 1580 CA THR A 114 -0.932 -4.854 10.906 1.00 0.35 C ATOM 1581 C THR A 114 -2.403 -4.604 11.225 1.00 0.39 C ATOM 1582 O THR A 114 -2.807 -3.473 11.502 1.00 0.43 O ATOM 1583 CB THR A 114 -0.087 -4.575 12.165 1.00 0.42 C ATOM 1584 OG1 THR A 114 1.298 -4.812 11.886 1.00 0.54 O ATOM 1585 CG2 THR A 114 -0.530 -5.450 13.328 1.00 0.56 C ATOM 0 H THR A 114 -0.548 -3.041 9.918 1.00 0.34 H new ATOM 0 HA THR A 114 -0.812 -5.897 10.612 1.00 0.35 H new ATOM 0 HB THR A 114 -0.231 -3.531 12.445 1.00 0.42 H new ATOM 0 HG1 THR A 114 1.829 -4.631 12.689 1.00 0.54 H new ATOM 0 HG21 THR A 114 0.084 -5.231 14.202 1.00 0.56 H new ATOM 0 HG22 THR A 114 -1.576 -5.247 13.559 1.00 0.56 H new ATOM 0 HG23 THR A 114 -0.416 -6.500 13.058 1.00 0.56 H new ATOM 1590 N LEU A 115 -3.199 -5.669 11.184 1.00 0.42 N ATOM 1591 CA LEU A 115 -4.625 -5.581 11.480 1.00 0.50 C ATOM 1592 C LEU A 115 -5.096 -6.831 12.215 1.00 0.60 C ATOM 1593 O LEU A 115 -5.077 -7.929 11.661 1.00 0.67 O ATOM 1594 CB LEU A 115 -5.431 -5.402 10.193 1.00 0.56 C ATOM 1595 CG LEU A 115 -6.950 -5.360 10.381 1.00 1.04 C ATOM 1596 CD1 LEU A 115 -7.361 -4.133 11.181 1.00 1.80 C ATOM 1597 CD2 LEU A 115 -7.658 -5.379 9.034 1.00 1.85 C ATOM 0 H LEU A 115 -2.878 -6.608 10.947 1.00 0.42 H new ATOM 0 HA LEU A 115 -4.786 -4.713 12.120 1.00 0.50 H new ATOM 0 HB2 LEU A 115 -5.114 -4.478 9.709 1.00 0.56 H new ATOM 0 HB3 LEU A 115 -5.187 -6.218 9.513 1.00 0.56 H new ATOM 0 HG LEU A 115 -7.247 -6.248 10.939 1.00 1.04 H new ATOM 0 HD11 LEU A 115 -8.444 -4.124 11.302 1.00 1.80 H new ATOM 0 HD12 LEU A 115 -6.886 -4.162 12.162 1.00 1.80 H new ATOM 0 HD13 LEU A 115 -7.047 -3.233 10.653 1.00 1.80 H new ATOM 0 HD21 LEU A 115 -8.736 -5.349 9.189 1.00 1.85 H new ATOM 0 HD22 LEU A 115 -7.351 -4.512 8.449 1.00 1.85 H new ATOM 0 HD23 LEU A 115 -7.394 -6.290 8.497 1.00 1.85 H new ATOM 1603 N GLY A 116 -5.529 -6.657 13.460 1.00 0.69 N ATOM 1604 CA GLY A 116 -5.999 -7.781 14.247 1.00 0.84 C ATOM 1605 C GLY A 116 -4.885 -8.744 14.609 1.00 0.93 C ATOM 1606 O GLY A 116 -5.042 -9.958 14.488 1.00 1.80 O ATOM 0 H GLY A 116 -5.562 -5.756 13.938 1.00 0.69 H new ATOM 0 HA2 GLY A 116 -6.466 -7.411 15.160 1.00 0.84 H new ATOM 0 HA3 GLY A 116 -6.769 -8.314 13.689 1.00 0.84 H new ATOM 1610 N ASP A 117 -3.754 -8.192 15.051 1.00 0.53 N ATOM 1611 CA ASP A 117 -2.596 -8.997 15.443 1.00 0.54 C ATOM 1612 C ASP A 117 -2.009 -9.753 14.251 1.00 0.50 C ATOM 1613 O ASP A 117 -1.097 -10.564 14.412 1.00 0.56 O ATOM 1614 CB ASP A 117 -2.977 -9.982 16.550 1.00 0.61 C ATOM 1615 CG ASP A 117 -3.468 -9.284 17.804 1.00 1.52 C ATOM 1616 OD1 ASP A 117 -4.631 -8.828 17.812 1.00 2.14 O ATOM 1617 OD2 ASP A 117 -2.690 -9.194 18.777 1.00 2.23 O ATOM 0 H ASP A 117 -3.615 -7.186 15.147 1.00 0.53 H new ATOM 0 HA ASP A 117 -1.834 -8.314 15.819 1.00 0.54 H new ATOM 0 HB2 ASP A 117 -3.754 -10.653 16.183 1.00 0.61 H new ATOM 0 HB3 ASP A 117 -2.113 -10.599 16.796 1.00 0.61 H new ATOM 1622 N ILE A 118 -2.533 -9.485 13.058 1.00 0.45 N ATOM 1623 CA ILE A 118 -2.048 -10.141 11.847 1.00 0.45 C ATOM 1624 C ILE A 118 -0.918 -9.337 11.213 1.00 0.38 C ATOM 1625 O ILE A 118 -0.997 -8.114 11.113 1.00 0.37 O ATOM 1626 CB ILE A 118 -3.180 -10.326 10.817 1.00 0.50 C ATOM 1627 CG1 ILE A 118 -4.440 -10.848 11.510 1.00 0.53 C ATOM 1628 CG2 ILE A 118 -2.740 -11.275 9.710 1.00 0.61 C ATOM 1629 CD1 ILE A 118 -5.635 -10.974 10.589 1.00 0.83 C ATOM 0 H ILE A 118 -3.291 -8.820 12.904 1.00 0.45 H new ATOM 0 HA ILE A 118 -1.675 -11.123 12.139 1.00 0.45 H new ATOM 0 HB ILE A 118 -3.408 -9.360 10.366 1.00 0.50 H new ATOM 0 HG12 ILE A 118 -4.226 -11.823 11.947 1.00 0.53 H new ATOM 0 HG13 ILE A 118 -4.695 -10.179 12.332 1.00 0.53 H new ATOM 0 HG21 ILE A 118 -3.550 -11.395 8.991 1.00 0.61 H new ATOM 0 HG22 ILE A 118 -1.865 -10.865 9.206 1.00 0.61 H new ATOM 0 HG23 ILE A 118 -2.490 -12.245 10.140 1.00 0.61 H new ATOM 0 HD11 ILE A 118 -6.490 -11.350 11.151 1.00 0.83 H new ATOM 0 HD12 ILE A 118 -5.877 -9.997 10.171 1.00 0.83 H new ATOM 0 HD13 ILE A 118 -5.400 -11.666 9.781 1.00 0.83 H new ATOM 1633 N VAL A 119 0.136 -10.030 10.786 1.00 0.40 N ATOM 1634 CA VAL A 119 1.284 -9.368 10.173 1.00 0.36 C ATOM 1635 C VAL A 119 1.260 -9.482 8.654 1.00 0.35 C ATOM 1636 O VAL A 119 0.967 -10.541 8.098 1.00 0.38 O ATOM 1637 CB VAL A 119 2.614 -9.938 10.707 1.00 0.40 C ATOM 1638 CG1 VAL A 119 2.741 -11.418 10.380 1.00 1.35 C ATOM 1639 CG2 VAL A 119 3.794 -9.157 10.147 1.00 1.31 C ATOM 0 H VAL A 119 0.218 -11.044 10.853 1.00 0.40 H new ATOM 0 HA VAL A 119 1.213 -8.315 10.444 1.00 0.36 H new ATOM 0 HB VAL A 119 2.618 -9.833 11.792 1.00 0.40 H new ATOM 0 HG11 VAL A 119 3.687 -11.796 10.767 1.00 1.35 H new ATOM 0 HG12 VAL A 119 1.917 -11.964 10.839 1.00 1.35 H new ATOM 0 HG13 VAL A 119 2.710 -11.556 9.299 1.00 1.35 H new ATOM 0 HG21 VAL A 119 4.723 -9.574 10.535 1.00 1.31 H new ATOM 0 HG22 VAL A 119 3.792 -9.225 9.059 1.00 1.31 H new ATOM 0 HG23 VAL A 119 3.713 -8.112 10.445 1.00 1.31 H new ATOM 1643 N TYR A 120 1.571 -8.373 7.992 1.00 0.38 N ATOM 1644 CA TYR A 120 1.600 -8.323 6.536 1.00 0.38 C ATOM 1645 C TYR A 120 2.889 -7.651 6.066 1.00 0.37 C ATOM 1646 O TYR A 120 3.142 -6.489 6.387 1.00 0.41 O ATOM 1647 CB TYR A 120 0.379 -7.547 6.027 1.00 0.43 C ATOM 1648 CG TYR A 120 0.197 -7.564 4.526 1.00 0.67 C ATOM 1649 CD1 TYR A 120 0.949 -6.728 3.708 1.00 0.96 C ATOM 1650 CD2 TYR A 120 -0.714 -8.423 3.922 1.00 0.77 C ATOM 1651 CE1 TYR A 120 0.797 -6.744 2.335 1.00 1.28 C ATOM 1652 CE2 TYR A 120 -0.870 -8.447 2.548 1.00 1.08 C ATOM 1653 CZ TYR A 120 -0.161 -7.582 1.766 1.00 1.32 C ATOM 1654 OH TYR A 120 -0.266 -7.626 0.393 1.00 1.67 O ATOM 0 H TYR A 120 1.808 -7.491 8.445 1.00 0.38 H new ATOM 0 HA TYR A 120 1.569 -9.337 6.136 1.00 0.38 H new ATOM 0 HB2 TYR A 120 -0.516 -7.960 6.492 1.00 0.43 H new ATOM 0 HB3 TYR A 120 0.461 -6.511 6.357 1.00 0.43 H new ATOM 0 HD1 TYR A 120 1.665 -6.054 4.154 1.00 0.96 H new ATOM 0 HD2 TYR A 120 -1.310 -9.082 4.536 1.00 0.77 H new ATOM 0 HE1 TYR A 120 1.413 -6.115 1.710 1.00 1.28 H new ATOM 0 HE2 TYR A 120 -1.553 -9.150 2.094 1.00 1.08 H new ATOM 0 HH TYR A 120 -0.810 -8.398 0.131 1.00 1.67 H new ATOM 1664 N LYS A 121 3.699 -8.384 5.307 1.00 0.35 N ATOM 1665 CA LYS A 121 4.956 -7.845 4.804 1.00 0.36 C ATOM 1666 C LYS A 121 5.086 -8.050 3.301 1.00 0.35 C ATOM 1667 O LYS A 121 5.039 -9.179 2.814 1.00 0.36 O ATOM 1668 CB LYS A 121 6.139 -8.504 5.520 1.00 0.39 C ATOM 1669 CG LYS A 121 7.492 -7.984 5.060 1.00 0.91 C ATOM 1670 CD LYS A 121 8.640 -8.671 5.785 1.00 1.08 C ATOM 1671 CE LYS A 121 8.710 -10.154 5.453 1.00 1.35 C ATOM 1672 NZ LYS A 121 9.952 -10.781 5.983 1.00 2.05 N ATOM 0 H LYS A 121 3.508 -9.347 5.029 1.00 0.35 H new ATOM 0 HA LYS A 121 4.962 -6.774 5.004 1.00 0.36 H new ATOM 0 HB2 LYS A 121 6.041 -8.340 6.593 1.00 0.39 H new ATOM 0 HB3 LYS A 121 6.098 -9.581 5.357 1.00 0.39 H new ATOM 0 HG2 LYS A 121 7.595 -8.141 3.986 1.00 0.91 H new ATOM 0 HG3 LYS A 121 7.545 -6.909 5.232 1.00 0.91 H new ATOM 0 HD2 LYS A 121 9.581 -8.193 5.512 1.00 1.08 H new ATOM 0 HD3 LYS A 121 8.518 -8.545 6.861 1.00 1.08 H new ATOM 0 HE2 LYS A 121 7.840 -10.661 5.870 1.00 1.35 H new ATOM 0 HE3 LYS A 121 8.668 -10.287 4.372 1.00 1.35 H new ATOM 0 HZ1 LYS A 121 9.963 -11.791 5.737 1.00 2.05 H new ATOM 0 HZ2 LYS A 121 10.782 -10.314 5.566 1.00 2.05 H new ATOM 0 HZ3 LYS A 121 9.979 -10.677 7.017 1.00 2.05 H new ATOM 1686 N ARG A 122 5.272 -6.954 2.574 1.00 0.35 N ATOM 1687 CA ARG A 122 5.418 -7.017 1.125 1.00 0.36 C ATOM 1688 C ARG A 122 6.878 -6.858 0.724 1.00 0.34 C ATOM 1689 O ARG A 122 7.571 -5.956 1.200 1.00 0.36 O ATOM 1690 CB ARG A 122 4.568 -5.938 0.448 1.00 0.39 C ATOM 1691 CG ARG A 122 4.929 -5.697 -1.010 1.00 0.73 C ATOM 1692 CD ARG A 122 4.017 -4.660 -1.647 1.00 0.64 C ATOM 1693 NE ARG A 122 4.010 -3.402 -0.903 1.00 1.23 N ATOM 1694 CZ ARG A 122 3.258 -2.357 -1.233 1.00 1.44 C ATOM 1695 NH1 ARG A 122 2.459 -2.419 -2.290 1.00 1.14 N ATOM 1696 NH2 ARG A 122 3.304 -1.249 -0.506 1.00 2.32 N ATOM 0 H ARG A 122 5.325 -6.013 2.964 1.00 0.35 H new ATOM 0 HA ARG A 122 5.069 -7.995 0.794 1.00 0.36 H new ATOM 0 HB2 ARG A 122 3.518 -6.224 0.510 1.00 0.39 H new ATOM 0 HB3 ARG A 122 4.677 -5.004 0.999 1.00 0.39 H new ATOM 0 HG2 ARG A 122 5.964 -5.364 -1.079 1.00 0.73 H new ATOM 0 HG3 ARG A 122 4.858 -6.634 -1.563 1.00 0.73 H new ATOM 0 HD2 ARG A 122 4.341 -4.473 -2.671 1.00 0.64 H new ATOM 0 HD3 ARG A 122 3.002 -5.054 -1.701 1.00 0.64 H new ATOM 0 HE ARG A 122 4.615 -3.322 -0.086 1.00 1.23 H new ATOM 0 HH11 ARG A 122 2.421 -3.270 -2.851 1.00 1.14 H new ATOM 0 HH12 ARG A 122 1.883 -1.616 -2.541 1.00 1.14 H new ATOM 0 HH21 ARG A 122 3.917 -1.198 0.308 1.00 2.32 H new ATOM 0 HH22 ARG A 122 2.726 -0.448 -0.760 1.00 2.32 H new ATOM 1710 N VAL A 123 7.335 -7.736 -0.158 1.00 0.32 N ATOM 1711 CA VAL A 123 8.708 -7.701 -0.636 1.00 0.32 C ATOM 1712 C VAL A 123 8.767 -7.088 -2.028 1.00 0.30 C ATOM 1713 O VAL A 123 8.169 -7.609 -2.969 1.00 0.33 O ATOM 1714 CB VAL A 123 9.319 -9.115 -0.673 1.00 0.36 C ATOM 1715 CG1 VAL A 123 10.757 -9.072 -1.169 1.00 0.41 C ATOM 1716 CG2 VAL A 123 9.241 -9.763 0.700 1.00 0.40 C ATOM 0 H VAL A 123 6.770 -8.485 -0.558 1.00 0.32 H new ATOM 0 HA VAL A 123 9.286 -7.089 0.056 1.00 0.32 H new ATOM 0 HB VAL A 123 8.741 -9.719 -1.372 1.00 0.36 H new ATOM 0 HG11 VAL A 123 11.166 -10.082 -1.186 1.00 0.41 H new ATOM 0 HG12 VAL A 123 10.783 -8.653 -2.175 1.00 0.41 H new ATOM 0 HG13 VAL A 123 11.354 -8.450 -0.502 1.00 0.41 H new ATOM 0 HG21 VAL A 123 9.677 -10.761 0.657 1.00 0.40 H new ATOM 0 HG22 VAL A 123 9.792 -9.158 1.420 1.00 0.40 H new ATOM 0 HG23 VAL A 123 8.198 -9.835 1.009 1.00 0.40 H new ATOM 1720 N SER A 124 9.486 -5.979 -2.157 1.00 0.30 N ATOM 1721 CA SER A 124 9.602 -5.298 -3.438 1.00 0.31 C ATOM 1722 C SER A 124 11.052 -4.936 -3.746 1.00 0.32 C ATOM 1723 O SER A 124 11.808 -4.549 -2.856 1.00 0.36 O ATOM 1724 CB SER A 124 8.737 -4.036 -3.445 1.00 0.35 C ATOM 1725 OG SER A 124 7.417 -4.319 -3.011 1.00 1.14 O ATOM 0 H SER A 124 9.995 -5.535 -1.393 1.00 0.30 H new ATOM 0 HA SER A 124 9.251 -5.981 -4.212 1.00 0.31 H new ATOM 0 HB2 SER A 124 9.183 -3.282 -2.796 1.00 0.35 H new ATOM 0 HB3 SER A 124 8.710 -3.615 -4.450 1.00 0.35 H new ATOM 0 HG SER A 124 6.885 -3.496 -3.023 1.00 1.14 H new ATOM 1731 N LYS A 125 11.425 -5.066 -5.015 1.00 0.35 N ATOM 1732 CA LYS A 125 12.781 -4.755 -5.453 1.00 0.39 C ATOM 1733 C LYS A 125 12.772 -3.617 -6.470 1.00 0.35 C ATOM 1734 O LYS A 125 11.817 -3.462 -7.232 1.00 0.38 O ATOM 1735 CB LYS A 125 13.440 -5.994 -6.058 1.00 0.52 C ATOM 1736 CG LYS A 125 12.729 -6.519 -7.283 1.00 0.88 C ATOM 1737 CD LYS A 125 13.544 -7.580 -8.010 1.00 1.37 C ATOM 1738 CE LYS A 125 14.827 -7.012 -8.600 1.00 1.37 C ATOM 1739 NZ LYS A 125 15.943 -7.004 -7.613 1.00 2.04 N ATOM 0 H LYS A 125 10.806 -5.385 -5.760 1.00 0.35 H new ATOM 0 HA LYS A 125 13.357 -4.437 -4.584 1.00 0.39 H new ATOM 0 HB2 LYS A 125 14.471 -5.756 -6.320 1.00 0.52 H new ATOM 0 HB3 LYS A 125 13.477 -6.781 -5.304 1.00 0.52 H new ATOM 0 HG2 LYS A 125 11.767 -6.939 -6.990 1.00 0.88 H new ATOM 0 HG3 LYS A 125 12.522 -5.693 -7.963 1.00 0.88 H new ATOM 0 HD2 LYS A 125 13.789 -8.385 -7.318 1.00 1.37 H new ATOM 0 HD3 LYS A 125 12.941 -8.017 -8.806 1.00 1.37 H new ATOM 0 HE2 LYS A 125 15.117 -7.601 -9.470 1.00 1.37 H new ATOM 0 HE3 LYS A 125 14.646 -5.996 -8.950 1.00 1.37 H new ATOM 0 HZ1 LYS A 125 16.249 -6.025 -7.443 1.00 2.04 H new ATOM 0 HZ2 LYS A 125 15.619 -7.426 -6.719 1.00 2.04 H new ATOM 0 HZ3 LYS A 125 16.741 -7.556 -7.987 1.00 2.04 H new ATOM 1753 N ARG A 126 13.840 -2.827 -6.478 1.00 0.37 N ATOM 1754 CA ARG A 126 13.951 -1.701 -7.397 1.00 0.40 C ATOM 1755 C ARG A 126 14.432 -2.164 -8.769 1.00 0.44 C ATOM 1756 O ARG A 126 15.436 -2.867 -8.881 1.00 0.52 O ATOM 1757 CB ARG A 126 14.909 -0.647 -6.830 1.00 0.51 C ATOM 1758 CG ARG A 126 14.809 0.712 -7.508 1.00 0.63 C ATOM 1759 CD ARG A 126 15.628 0.767 -8.789 1.00 1.14 C ATOM 1760 NE ARG A 126 15.521 2.062 -9.454 1.00 1.70 N ATOM 1761 CZ ARG A 126 16.317 2.452 -10.445 1.00 2.27 C ATOM 1762 NH1 ARG A 126 17.279 1.651 -10.882 1.00 2.51 N ATOM 1763 NH2 ARG A 126 16.153 3.646 -11.000 1.00 3.09 N ATOM 0 H ARG A 126 14.641 -2.946 -5.858 1.00 0.37 H new ATOM 0 HA ARG A 126 12.962 -1.257 -7.513 1.00 0.40 H new ATOM 0 HB2 ARG A 126 14.710 -0.526 -5.765 1.00 0.51 H new ATOM 0 HB3 ARG A 126 15.931 -1.013 -6.923 1.00 0.51 H new ATOM 0 HG2 ARG A 126 13.765 0.929 -7.735 1.00 0.63 H new ATOM 0 HG3 ARG A 126 15.154 1.486 -6.823 1.00 0.63 H new ATOM 0 HD2 ARG A 126 16.674 0.563 -8.559 1.00 1.14 H new ATOM 0 HD3 ARG A 126 15.292 -0.017 -9.467 1.00 1.14 H new ATOM 0 HE ARG A 126 14.794 2.705 -9.140 1.00 1.70 H new ATOM 0 HH11 ARG A 126 17.410 0.733 -10.458 1.00 2.51 H new ATOM 0 HH12 ARG A 126 17.888 1.953 -11.642 1.00 2.51 H new ATOM 0 HH21 ARG A 126 15.415 4.266 -10.666 1.00 3.09 H new ATOM 0 HH22 ARG A 126 16.765 3.943 -11.760 1.00 3.09 H new ATOM 1777 N ILE A 127 13.707 -1.760 -9.808 1.00 0.48 N ATOM 1778 CA ILE A 127 14.053 -2.127 -11.176 1.00 0.58 C ATOM 1779 C ILE A 127 13.800 -0.969 -12.136 1.00 0.75 C ATOM 1780 O ILE A 127 14.542 -0.774 -13.098 1.00 1.31 O ATOM 1781 CB ILE A 127 13.253 -3.355 -11.651 1.00 0.76 C ATOM 1782 CG1 ILE A 127 11.760 -3.148 -11.391 1.00 0.82 C ATOM 1783 CG2 ILE A 127 13.754 -4.612 -10.956 1.00 1.23 C ATOM 1784 CD1 ILE A 127 10.886 -4.254 -11.946 1.00 1.21 C ATOM 0 H ILE A 127 12.874 -1.177 -9.727 1.00 0.48 H new ATOM 0 HA ILE A 127 15.115 -2.373 -11.177 1.00 0.58 H new ATOM 0 HB ILE A 127 13.399 -3.477 -12.724 1.00 0.76 H new ATOM 0 HG12 ILE A 127 11.595 -3.071 -10.316 1.00 0.82 H new ATOM 0 HG13 ILE A 127 11.452 -2.199 -11.830 1.00 0.82 H new ATOM 0 HG21 ILE A 127 13.180 -5.472 -11.301 1.00 1.23 H new ATOM 0 HG22 ILE A 127 14.808 -4.762 -11.190 1.00 1.23 H new ATOM 0 HG23 ILE A 127 13.634 -4.504 -9.878 1.00 1.23 H new ATOM 0 HD11 ILE A 127 9.841 -4.038 -11.723 1.00 1.21 H new ATOM 0 HD12 ILE A 127 11.021 -4.317 -13.026 1.00 1.21 H new ATOM 0 HD13 ILE A 127 11.166 -5.203 -11.489 1.00 1.21 H new TER 1788 ILE A 127 HETATM 1789 C1 OLA A 128 -8.693 -10.879 -11.848 1.00 4.80 C HETATM 1790 O1 OLA A 128 -9.563 -11.638 -11.369 1.00 5.27 O HETATM 1791 O2 OLA A 128 -7.738 -11.285 -12.541 1.00 5.34 O HETATM 1792 C2 OLA A 128 -8.768 -9.401 -11.519 1.00 3.99 C HETATM 1793 C3 OLA A 128 -8.405 -9.105 -10.072 1.00 2.99 C HETATM 1794 C4 OLA A 128 -7.065 -8.394 -9.968 1.00 2.27 C HETATM 1795 C5 OLA A 128 -6.409 -8.632 -8.618 1.00 1.37 C HETATM 1796 C6 OLA A 128 -6.760 -7.531 -7.628 1.00 1.21 C HETATM 1797 C7 OLA A 128 -5.957 -7.659 -6.343 1.00 1.40 C HETATM 1798 C8 OLA A 128 -6.417 -6.660 -5.293 1.00 1.72 C HETATM 1799 C9 OLA A 128 -5.646 -6.829 -4.093 1.00 2.12 C HETATM 1800 C10 OLA A 128 -5.874 -6.030 -2.982 1.00 2.24 C HETATM 1801 C11 OLA A 128 -6.888 -5.010 -3.008 1.00 1.95 C HETATM 1802 C12 OLA A 128 -6.867 -4.230 -1.703 1.00 1.93 C HETATM 1803 C13 OLA A 128 -5.801 -3.145 -1.717 1.00 2.05 C HETATM 1804 C14 OLA A 128 -6.241 -1.941 -2.535 1.00 2.14 C HETATM 1805 C15 OLA A 128 -6.415 -0.708 -1.664 1.00 2.46 C HETATM 1806 C16 OLA A 128 -6.339 0.570 -2.483 1.00 2.76 C HETATM 1807 C17 OLA A 128 -7.677 0.905 -3.121 1.00 3.48 C HETATM 1808 C18 OLA A 128 -8.548 1.665 -2.144 1.00 4.18 C HETATM 0 H183 OLA A 128 -8.719 1.054 -1.258 1.00 4.18 H new HETATM 0 H182 OLA A 128 -8.049 2.590 -1.856 1.00 4.18 H new HETATM 0 H181 OLA A 128 -9.503 1.899 -2.614 1.00 4.18 H new HETATM 0 H172 OLA A 128 -7.520 1.502 -4.020 1.00 3.48 H new HETATM 0 H171 OLA A 128 -8.180 -0.011 -3.431 1.00 3.48 H new HETATM 0 H162 OLA A 128 -6.023 1.394 -1.844 1.00 2.76 H new HETATM 0 H161 OLA A 128 -5.582 0.461 -3.260 1.00 2.76 H new HETATM 0 H152 OLA A 128 -7.376 -0.756 -1.152 1.00 2.46 H new HETATM 0 H151 OLA A 128 -5.644 -0.694 -0.894 1.00 2.46 H new HETATM 0 H142 OLA A 128 -5.503 -1.738 -3.311 1.00 2.14 H new HETATM 0 H141 OLA A 128 -7.180 -2.167 -3.040 1.00 2.14 H new HETATM 0 H132 OLA A 128 -5.585 -2.833 -0.695 1.00 2.05 H new HETATM 0 H131 OLA A 128 -4.876 -3.548 -2.129 1.00 2.05 H new HETATM 0 H122 OLA A 128 -7.844 -3.779 -1.532 1.00 1.93 H new HETATM 0 H121 OLA A 128 -6.682 -4.912 -0.873 1.00 1.93 H new HETATM 0 H112 OLA A 128 -6.718 -4.336 -3.848 1.00 1.95 H new HETATM 0 H111 OLA A 128 -7.868 -5.463 -3.156 1.00 1.95 H new HETATM 0 HO2 OLA A 128 -8.007 -12.092 -13.028 1.00 5.34 H new HETATM 0 H9 OLA A 128 -4.872 -7.595 -4.055 1.00 2.12 H new HETATM 0 H82 OLA A 128 -6.303 -5.644 -5.670 1.00 1.72 H new HETATM 0 H81 OLA A 128 -7.476 -6.804 -5.080 1.00 1.72 H new HETATM 0 H72 OLA A 128 -6.056 -8.671 -5.951 1.00 1.40 H new HETATM 0 H71 OLA A 128 -4.900 -7.502 -6.557 1.00 1.40 H new HETATM 0 H62 OLA A 128 -6.570 -6.558 -8.082 1.00 1.21 H new HETATM 0 H61 OLA A 128 -7.825 -7.573 -7.398 1.00 1.21 H new HETATM 0 H52 OLA A 128 -6.729 -9.596 -8.221 1.00 1.37 H new HETATM 0 H51 OLA A 128 -5.327 -8.681 -8.741 1.00 1.37 H new HETATM 0 H42 OLA A 128 -6.404 -8.744 -10.761 1.00 2.27 H new HETATM 0 H41 OLA A 128 -7.207 -7.324 -10.121 1.00 2.27 H new HETATM 0 H32 OLA A 128 -9.182 -8.488 -9.620 1.00 2.99 H new HETATM 0 H31 OLA A 128 -8.369 -10.036 -9.507 1.00 2.99 H new HETATM 0 H22 OLA A 128 -8.096 -8.851 -12.178 1.00 3.99 H new HETATM 0 H21 OLA A 128 -9.777 -9.039 -11.718 1.00 3.99 H new HETATM 0 H10 OLA A 128 -5.279 -6.177 -2.081 1.00 2.24 H new HETATM 1842 C1 OLA A 129 5.025 1.828 -1.503 1.00 2.32 C HETATM 1843 O1 OLA A 129 4.817 1.276 -2.604 1.00 2.82 O HETATM 1844 O2 OLA A 129 6.162 2.168 -1.114 1.00 2.88 O HETATM 1845 C2 OLA A 129 3.843 2.075 -0.587 1.00 1.83 C HETATM 1846 C3 OLA A 129 3.735 3.526 -0.146 1.00 1.51 C HETATM 1847 C4 OLA A 129 3.839 3.660 1.366 1.00 1.30 C HETATM 1848 C5 OLA A 129 3.125 4.905 1.865 1.00 1.27 C HETATM 1849 C6 OLA A 129 1.634 4.660 2.034 1.00 1.29 C HETATM 1850 C7 OLA A 129 0.839 5.948 1.899 1.00 1.40 C HETATM 1851 C8 OLA A 129 -0.534 5.825 2.541 1.00 1.59 C HETATM 1852 C9 OLA A 129 -1.546 6.256 1.615 1.00 1.46 C HETATM 1853 C10 OLA A 129 -2.890 6.223 1.966 1.00 1.19 C HETATM 1854 C11 OLA A 129 -3.301 5.756 3.262 1.00 1.04 C HETATM 1855 C12 OLA A 129 -4.720 5.219 3.185 1.00 1.25 C HETATM 1856 C13 OLA A 129 -4.733 3.717 2.957 1.00 1.80 C HETATM 1857 C14 OLA A 129 -5.048 3.373 1.510 1.00 2.20 C HETATM 1858 C15 OLA A 129 -4.179 2.230 1.008 1.00 2.16 C HETATM 1859 C16 OLA A 129 -3.161 2.710 -0.014 1.00 2.10 C HETATM 1860 C17 OLA A 129 -2.989 1.709 -1.145 1.00 1.84 C HETATM 1861 C18 OLA A 129 -1.815 0.798 -0.865 1.00 2.46 C HETATM 0 H183 OLA A 129 -0.906 1.393 -0.775 1.00 2.46 H new HETATM 0 H182 OLA A 129 -1.988 0.257 0.065 1.00 2.46 H new HETATM 0 H181 OLA A 129 -1.704 0.086 -1.683 1.00 2.46 H new HETATM 0 H172 OLA A 129 -3.898 1.118 -1.258 1.00 1.84 H new HETATM 0 H171 OLA A 129 -2.833 2.236 -2.086 1.00 1.84 H new HETATM 0 H162 OLA A 129 -3.479 3.670 -0.422 1.00 2.10 H new HETATM 0 H161 OLA A 129 -2.202 2.874 0.477 1.00 2.10 H new HETATM 0 H152 OLA A 129 -3.662 1.769 1.849 1.00 2.16 H new HETATM 0 H151 OLA A 129 -4.810 1.461 0.561 1.00 2.16 H new HETATM 0 H142 OLA A 129 -6.099 3.099 1.420 1.00 2.20 H new HETATM 0 H141 OLA A 129 -4.893 4.252 0.884 1.00 2.20 H new HETATM 0 H132 OLA A 129 -3.764 3.299 3.228 1.00 1.80 H new HETATM 0 H131 OLA A 129 -5.473 3.256 3.611 1.00 1.80 H new HETATM 0 H122 OLA A 129 -5.250 5.453 4.108 1.00 1.25 H new HETATM 0 H121 OLA A 129 -5.255 5.716 2.376 1.00 1.25 H new HETATM 0 H112 OLA A 129 -2.624 4.975 3.609 1.00 1.04 H new HETATM 0 H111 OLA A 129 -3.248 6.569 3.986 1.00 1.04 H new HETATM 0 HO2 OLA A 129 6.720 2.390 -1.889 1.00 2.88 H new HETATM 0 H9 OLA A 129 -1.256 6.613 0.627 1.00 1.46 H new HETATM 0 H82 OLA A 129 -0.716 4.792 2.837 1.00 1.59 H new HETATM 0 H81 OLA A 129 -0.577 6.429 3.448 1.00 1.59 H new HETATM 0 H72 OLA A 129 1.388 6.766 2.365 1.00 1.40 H new HETATM 0 H71 OLA A 129 0.727 6.199 0.844 1.00 1.40 H new HETATM 0 H62 OLA A 129 1.295 3.942 1.287 1.00 1.29 H new HETATM 0 H61 OLA A 129 1.446 4.216 3.011 1.00 1.29 H new HETATM 0 H52 OLA A 129 3.554 5.215 2.818 1.00 1.27 H new HETATM 0 H51 OLA A 129 3.283 5.723 1.162 1.00 1.27 H new HETATM 0 H42 OLA A 129 3.409 2.778 1.841 1.00 1.30 H new HETATM 0 H41 OLA A 129 4.889 3.700 1.658 1.00 1.30 H new HETATM 0 H32 OLA A 129 4.524 4.111 -0.619 1.00 1.51 H new HETATM 0 H31 OLA A 129 2.785 3.940 -0.484 1.00 1.51 H new HETATM 0 H22 OLA A 129 2.925 1.786 -1.099 1.00 1.83 H new HETATM 0 H21 OLA A 129 3.931 1.438 0.293 1.00 1.83 H new HETATM 0 H10 OLA A 129 -3.642 6.555 1.250 1.00 1.19 H new