USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 31:sc= 1.16 USER MOD Single : A 11 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.11) USER MOD Single : A 19 CYS SG : rot 0:sc= -6.47! USER MOD Single : A 21 MET CE :methyl -178:sc= -0.721 (180deg=-0.783) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -4.43 K(o=-4.4,f=-5!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.566 X(o=-0.57,f=-0.69) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.33) USER MOD Single : A 46 ASN : amide:sc= -0.0358 X(o=-0.036,f=-0.44) USER MOD Single : A 51 THR OG1 : rot -42:sc= 2.09 USER MOD Single : A 52 TYR OH : rot 30:sc= 0 USER MOD Single : A 53 CYS SG : rot 23:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.713 X(o=-0.71,f=-0.58) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -5.73! C(o=-5.7!,f=-5.6!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 1.01 K(o=1,f=-5.7!) USER MOD Single : A 76 LYS NZ :NH3+ -147:sc= 0.011 (180deg=0) USER MOD Single : A 83 CYS SG : rot 173:sc= 0.0841 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -91:sc= 1.29 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 69:sc= 0.0732 USER MOD Single : A 93 GLN : amide:sc= -1.13 K(o=-1.1,f=-6!) USER MOD Single : A 97 MET CE :methyl 178:sc= -2.06! (180deg=-2.15) USER MOD Single : A 99 HIS : no HD1:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 100 MET CE :methyl -118:sc= -0.158 (180deg=-3.45!) USER MOD Single : A 101 CYS SG : rot -110:sc= -0.274 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.775 10.629 -15.910 1.00 0.00 N ATOM 2 CA GLY A 1 -20.112 10.496 -14.626 1.00 0.00 C ATOM 3 C GLY A 1 -20.192 11.764 -13.799 1.00 0.00 C ATOM 4 O GLY A 1 -21.000 11.861 -12.876 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.693 9.736 -16.437 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.780 10.851 -15.760 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.328 11.395 -16.454 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.564 9.674 -14.070 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.066 10.235 -14.786 1.00 0.00 H new ATOM 8 N SER A 2 -19.350 12.738 -14.130 1.00 0.00 N ATOM 9 CA SER A 2 -19.325 14.005 -13.407 1.00 0.00 C ATOM 10 C SER A 2 -18.943 15.153 -14.336 1.00 0.00 C ATOM 11 O SER A 2 -18.141 14.983 -15.254 1.00 0.00 O ATOM 12 CB SER A 2 -18.339 13.930 -12.239 1.00 0.00 C ATOM 13 OG SER A 2 -18.401 15.102 -11.444 1.00 0.00 O ATOM 0 H SER A 2 -18.677 12.674 -14.893 1.00 0.00 H new ATOM 0 HA SER A 2 -20.326 14.193 -13.018 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.563 13.058 -11.625 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.327 13.799 -12.621 1.00 0.00 H new ATOM 0 HG SER A 2 -17.763 15.029 -10.704 1.00 0.00 H new ATOM 19 N SER A 3 -19.524 16.323 -14.090 1.00 0.00 N ATOM 20 CA SER A 3 -19.249 17.500 -14.906 1.00 0.00 C ATOM 21 C SER A 3 -17.856 18.048 -14.616 1.00 0.00 C ATOM 22 O SER A 3 -17.103 18.378 -15.532 1.00 0.00 O ATOM 23 CB SER A 3 -20.300 18.582 -14.649 1.00 0.00 C ATOM 24 OG SER A 3 -20.337 18.941 -13.279 1.00 0.00 O ATOM 0 H SER A 3 -20.188 16.481 -13.332 1.00 0.00 H new ATOM 0 HA SER A 3 -19.293 17.204 -15.954 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.076 19.461 -15.253 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.281 18.222 -14.961 1.00 0.00 H new ATOM 0 HG SER A 3 -21.015 19.635 -13.141 1.00 0.00 H new ATOM 30 N GLY A 4 -17.519 18.143 -13.333 1.00 0.00 N ATOM 31 CA GLY A 4 -16.217 18.652 -12.944 1.00 0.00 C ATOM 32 C GLY A 4 -16.241 19.327 -11.586 1.00 0.00 C ATOM 33 O GLY A 4 -17.208 20.004 -11.239 1.00 0.00 O ATOM 0 H GLY A 4 -18.124 17.877 -12.557 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.500 17.831 -12.926 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.869 19.363 -13.694 1.00 0.00 H new ATOM 37 N SER A 5 -15.174 19.140 -10.816 1.00 0.00 N ATOM 38 CA SER A 5 -15.078 19.731 -9.486 1.00 0.00 C ATOM 39 C SER A 5 -13.645 19.671 -8.967 1.00 0.00 C ATOM 40 O SER A 5 -12.980 18.640 -9.064 1.00 0.00 O ATOM 41 CB SER A 5 -16.015 19.010 -8.516 1.00 0.00 C ATOM 42 OG SER A 5 -16.242 19.787 -7.352 1.00 0.00 O ATOM 0 H SER A 5 -14.364 18.584 -11.090 1.00 0.00 H new ATOM 0 HA SER A 5 -15.376 20.777 -9.558 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.965 18.803 -9.009 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.584 18.048 -8.237 1.00 0.00 H new ATOM 0 HG SER A 5 -16.845 19.304 -6.749 1.00 0.00 H new ATOM 48 N SER A 6 -13.175 20.785 -8.414 1.00 0.00 N ATOM 49 CA SER A 6 -11.820 20.862 -7.882 1.00 0.00 C ATOM 50 C SER A 6 -11.839 20.993 -6.362 1.00 0.00 C ATOM 51 O SER A 6 -12.746 21.598 -5.792 1.00 0.00 O ATOM 52 CB SER A 6 -11.074 22.047 -8.498 1.00 0.00 C ATOM 53 OG SER A 6 -10.812 21.826 -9.873 1.00 0.00 O ATOM 0 H SER A 6 -13.713 21.647 -8.323 1.00 0.00 H new ATOM 0 HA SER A 6 -11.301 19.940 -8.143 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.665 22.955 -8.379 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.136 22.206 -7.967 1.00 0.00 H new ATOM 0 HG SER A 6 -10.336 22.598 -10.244 1.00 0.00 H new ATOM 59 N GLY A 7 -10.830 20.421 -5.712 1.00 0.00 N ATOM 60 CA GLY A 7 -10.750 20.485 -4.265 1.00 0.00 C ATOM 61 C GLY A 7 -9.739 19.508 -3.697 1.00 0.00 C ATOM 62 O GLY A 7 -10.052 18.736 -2.789 1.00 0.00 O ATOM 0 H GLY A 7 -10.067 19.915 -6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.482 21.497 -3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.732 20.275 -3.840 1.00 0.00 H new ATOM 66 N LYS A 8 -8.524 19.538 -4.233 1.00 0.00 N ATOM 67 CA LYS A 8 -7.463 18.648 -3.775 1.00 0.00 C ATOM 68 C LYS A 8 -6.645 19.303 -2.666 1.00 0.00 C ATOM 69 O LYS A 8 -6.318 20.488 -2.740 1.00 0.00 O ATOM 70 CB LYS A 8 -6.549 18.269 -4.942 1.00 0.00 C ATOM 71 CG LYS A 8 -7.098 17.146 -5.805 1.00 0.00 C ATOM 72 CD LYS A 8 -6.594 17.244 -7.235 1.00 0.00 C ATOM 73 CE LYS A 8 -7.000 16.028 -8.054 1.00 0.00 C ATOM 74 NZ LYS A 8 -6.203 15.912 -9.307 1.00 0.00 N ATOM 0 H LYS A 8 -8.249 20.169 -4.986 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.926 17.745 -3.376 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.386 19.148 -5.565 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.577 17.972 -4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.807 16.185 -5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.187 17.181 -5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.990 18.146 -7.701 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.508 17.337 -7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.869 15.127 -7.455 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.059 16.094 -8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.510 15.071 -9.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.348 16.761 -9.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.194 15.823 -9.070 1.00 0.00 H new ATOM 88 N ILE A 9 -6.316 18.524 -1.641 1.00 0.00 N ATOM 89 CA ILE A 9 -5.534 19.028 -0.520 1.00 0.00 C ATOM 90 C ILE A 9 -4.123 19.404 -0.958 1.00 0.00 C ATOM 91 O ILE A 9 -3.605 20.456 -0.584 1.00 0.00 O ATOM 92 CB ILE A 9 -5.447 17.992 0.617 1.00 0.00 C ATOM 93 CG1 ILE A 9 -6.848 17.637 1.121 1.00 0.00 C ATOM 94 CG2 ILE A 9 -4.588 18.524 1.754 1.00 0.00 C ATOM 95 CD1 ILE A 9 -7.476 16.471 0.391 1.00 0.00 C ATOM 0 H ILE A 9 -6.579 17.542 -1.564 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.047 19.917 -0.153 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.981 17.087 0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.794 17.403 2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.494 18.509 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.536 17.781 2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.583 18.731 1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.028 19.442 2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.467 16.276 0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.562 16.709 -0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.852 15.586 0.514 1.00 0.00 H new ATOM 107 N SER A 10 -3.506 18.537 -1.756 1.00 0.00 N ATOM 108 CA SER A 10 -2.153 18.777 -2.245 1.00 0.00 C ATOM 109 C SER A 10 -1.835 17.869 -3.429 1.00 0.00 C ATOM 110 O SER A 10 -2.625 16.996 -3.786 1.00 0.00 O ATOM 111 CB SER A 10 -1.136 18.550 -1.125 1.00 0.00 C ATOM 112 OG SER A 10 -1.001 19.705 -0.316 1.00 0.00 O ATOM 0 H SER A 10 -3.922 17.663 -2.077 1.00 0.00 H new ATOM 0 HA SER A 10 -2.091 19.813 -2.577 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.450 17.706 -0.510 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.169 18.289 -1.555 1.00 0.00 H new ATOM 0 HG SER A 10 -1.854 20.187 -0.289 1.00 0.00 H new ATOM 118 N ASN A 11 -0.671 18.083 -4.034 1.00 0.00 N ATOM 119 CA ASN A 11 -0.247 17.285 -5.179 1.00 0.00 C ATOM 120 C ASN A 11 1.047 16.537 -4.871 1.00 0.00 C ATOM 121 O ASN A 11 1.918 16.404 -5.731 1.00 0.00 O ATOM 122 CB ASN A 11 -0.053 18.179 -6.406 1.00 0.00 C ATOM 123 CG ASN A 11 0.376 19.585 -6.035 1.00 0.00 C ATOM 124 OD1 ASN A 11 1.454 19.791 -5.478 1.00 0.00 O ATOM 125 ND2 ASN A 11 -0.470 20.562 -6.342 1.00 0.00 N ATOM 0 H ASN A 11 -0.005 18.802 -3.751 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.027 16.554 -5.390 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.696 17.734 -7.061 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.984 18.223 -6.971 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.236 21.529 -6.116 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.353 20.345 -6.804 1.00 0.00 H new ATOM 132 N ILE A 12 1.163 16.050 -3.640 1.00 0.00 N ATOM 133 CA ILE A 12 2.349 15.314 -3.220 1.00 0.00 C ATOM 134 C ILE A 12 2.504 14.021 -4.014 1.00 0.00 C ATOM 135 O ILE A 12 3.615 13.628 -4.371 1.00 0.00 O ATOM 136 CB ILE A 12 2.300 14.978 -1.718 1.00 0.00 C ATOM 137 CG1 ILE A 12 1.088 14.096 -1.410 1.00 0.00 C ATOM 138 CG2 ILE A 12 2.258 16.254 -0.891 1.00 0.00 C ATOM 139 CD1 ILE A 12 1.010 13.660 0.037 1.00 0.00 C ATOM 0 H ILE A 12 0.451 16.152 -2.917 1.00 0.00 H new ATOM 0 HA ILE A 12 3.206 15.960 -3.412 1.00 0.00 H new ATOM 0 HB ILE A 12 3.203 14.427 -1.454 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.179 14.639 -1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.121 13.212 -2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.224 16.000 0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.149 16.848 -1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.371 16.830 -1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.127 13.038 0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.902 13.089 0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.945 14.539 0.679 1.00 0.00 H new ATOM 151 N PHE A 13 1.382 13.365 -4.290 1.00 0.00 N ATOM 152 CA PHE A 13 1.392 12.116 -5.043 1.00 0.00 C ATOM 153 C PHE A 13 1.118 12.371 -6.522 1.00 0.00 C ATOM 154 O PHE A 13 0.610 11.501 -7.228 1.00 0.00 O ATOM 155 CB PHE A 13 0.350 11.147 -4.479 1.00 0.00 C ATOM 156 CG PHE A 13 0.575 10.798 -3.036 1.00 0.00 C ATOM 157 CD1 PHE A 13 1.832 10.428 -2.587 1.00 0.00 C ATOM 158 CD2 PHE A 13 -0.471 10.839 -2.128 1.00 0.00 C ATOM 159 CE1 PHE A 13 2.043 10.107 -1.259 1.00 0.00 C ATOM 160 CE2 PHE A 13 -0.267 10.519 -0.799 1.00 0.00 C ATOM 161 CZ PHE A 13 0.992 10.151 -0.364 1.00 0.00 C ATOM 0 H PHE A 13 0.454 13.677 -4.004 1.00 0.00 H new ATOM 0 HA PHE A 13 2.382 11.670 -4.946 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.641 11.588 -4.588 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.358 10.232 -5.071 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.657 10.390 -3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.457 11.124 -2.463 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.029 9.822 -0.922 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.091 10.557 -0.101 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.154 9.898 0.674 1.00 0.00 H new ATOM 171 N GLU A 14 1.458 13.571 -6.983 1.00 0.00 N ATOM 172 CA GLU A 14 1.248 13.941 -8.377 1.00 0.00 C ATOM 173 C GLU A 14 1.949 12.959 -9.312 1.00 0.00 C ATOM 174 O GLU A 14 3.150 12.719 -9.190 1.00 0.00 O ATOM 175 CB GLU A 14 1.758 15.360 -8.634 1.00 0.00 C ATOM 176 CG GLU A 14 1.846 15.718 -10.108 1.00 0.00 C ATOM 177 CD GLU A 14 2.200 17.175 -10.335 1.00 0.00 C ATOM 178 OE1 GLU A 14 1.515 18.048 -9.763 1.00 0.00 O ATOM 179 OE2 GLU A 14 3.163 17.441 -11.085 1.00 0.00 O ATOM 0 H GLU A 14 1.880 14.303 -6.411 1.00 0.00 H new ATOM 0 HA GLU A 14 0.177 13.906 -8.578 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.098 16.070 -8.135 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.744 15.470 -8.183 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.595 15.087 -10.587 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.892 15.501 -10.588 1.00 0.00 H new ATOM 186 N ASP A 15 1.189 12.395 -10.245 1.00 0.00 N ATOM 187 CA ASP A 15 1.736 11.440 -11.201 1.00 0.00 C ATOM 188 C ASP A 15 2.276 10.204 -10.488 1.00 0.00 C ATOM 189 O ASP A 15 3.338 9.687 -10.836 1.00 0.00 O ATOM 190 CB ASP A 15 2.846 12.092 -12.028 1.00 0.00 C ATOM 191 CG ASP A 15 3.035 11.421 -13.374 1.00 0.00 C ATOM 192 OD1 ASP A 15 3.411 10.231 -13.396 1.00 0.00 O ATOM 193 OD2 ASP A 15 2.807 12.087 -14.406 1.00 0.00 O ATOM 0 H ASP A 15 0.193 12.583 -10.359 1.00 0.00 H new ATOM 0 HA ASP A 15 0.931 11.130 -11.867 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.611 13.145 -12.180 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.782 12.052 -11.471 1.00 0.00 H new ATOM 198 N VAL A 16 1.538 9.736 -9.486 1.00 0.00 N ATOM 199 CA VAL A 16 1.942 8.561 -8.723 1.00 0.00 C ATOM 200 C VAL A 16 0.808 7.546 -8.636 1.00 0.00 C ATOM 201 O VAL A 16 -0.291 7.866 -8.184 1.00 0.00 O ATOM 202 CB VAL A 16 2.385 8.943 -7.298 1.00 0.00 C ATOM 203 CG1 VAL A 16 2.878 7.716 -6.545 1.00 0.00 C ATOM 204 CG2 VAL A 16 3.462 10.017 -7.345 1.00 0.00 C ATOM 0 H VAL A 16 0.657 10.153 -9.184 1.00 0.00 H new ATOM 0 HA VAL A 16 2.785 8.115 -9.251 1.00 0.00 H new ATOM 0 HB VAL A 16 1.524 9.346 -6.765 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.187 8.005 -5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.075 6.982 -6.481 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.726 7.281 -7.074 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.763 10.275 -6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.325 9.643 -7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.070 10.904 -7.843 1.00 0.00 H new ATOM 214 N GLU A 17 1.084 6.320 -9.071 1.00 0.00 N ATOM 215 CA GLU A 17 0.086 5.257 -9.042 1.00 0.00 C ATOM 216 C GLU A 17 0.005 4.624 -7.655 1.00 0.00 C ATOM 217 O GLU A 17 0.975 4.639 -6.897 1.00 0.00 O ATOM 218 CB GLU A 17 0.417 4.188 -10.084 1.00 0.00 C ATOM 219 CG GLU A 17 -0.656 3.121 -10.223 1.00 0.00 C ATOM 220 CD GLU A 17 -0.717 2.534 -11.620 1.00 0.00 C ATOM 221 OE1 GLU A 17 -0.936 3.304 -12.579 1.00 0.00 O ATOM 222 OE2 GLU A 17 -0.547 1.304 -11.754 1.00 0.00 O ATOM 0 H GLU A 17 1.989 6.039 -9.447 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.883 5.697 -9.279 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.567 4.669 -11.051 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.360 3.711 -9.816 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.465 2.323 -9.506 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.625 3.551 -9.971 1.00 0.00 H new ATOM 229 N PHE A 18 -1.158 4.070 -7.331 1.00 0.00 N ATOM 230 CA PHE A 18 -1.367 3.433 -6.036 1.00 0.00 C ATOM 231 C PHE A 18 -2.284 2.221 -6.168 1.00 0.00 C ATOM 232 O PHE A 18 -3.246 2.237 -6.938 1.00 0.00 O ATOM 233 CB PHE A 18 -1.963 4.432 -5.043 1.00 0.00 C ATOM 234 CG PHE A 18 -1.070 5.608 -4.767 1.00 0.00 C ATOM 235 CD1 PHE A 18 -1.032 6.685 -5.637 1.00 0.00 C ATOM 236 CD2 PHE A 18 -0.267 5.635 -3.637 1.00 0.00 C ATOM 237 CE1 PHE A 18 -0.212 7.769 -5.386 1.00 0.00 C ATOM 238 CE2 PHE A 18 0.555 6.716 -3.381 1.00 0.00 C ATOM 239 CZ PHE A 18 0.583 7.784 -4.257 1.00 0.00 C ATOM 0 H PHE A 18 -1.971 4.049 -7.947 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.399 3.096 -5.665 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.916 4.793 -5.430 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.174 3.918 -4.105 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.651 6.678 -6.522 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.284 4.802 -2.949 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.193 8.603 -6.072 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.175 6.726 -2.497 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.226 8.629 -4.059 1.00 0.00 H new ATOM 249 N CYS A 19 -1.981 1.171 -5.412 1.00 0.00 N ATOM 250 CA CYS A 19 -2.777 -0.050 -5.445 1.00 0.00 C ATOM 251 C CYS A 19 -2.948 -0.625 -4.043 1.00 0.00 C ATOM 252 O CYS A 19 -2.017 -1.198 -3.477 1.00 0.00 O ATOM 253 CB CYS A 19 -2.120 -1.087 -6.357 1.00 0.00 C ATOM 254 SG CYS A 19 -0.325 -1.203 -6.172 1.00 0.00 S ATOM 0 H CYS A 19 -1.190 1.141 -4.769 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.762 0.198 -5.839 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -2.559 -2.064 -6.154 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.352 -0.842 -7.393 1.00 0.00 H new ATOM 0 HG CYS A 19 0.073 -0.362 -5.264 1.00 0.00 H new ATOM 260 N VAL A 20 -4.145 -0.466 -3.486 1.00 0.00 N ATOM 261 CA VAL A 20 -4.439 -0.968 -2.149 1.00 0.00 C ATOM 262 C VAL A 20 -5.124 -2.329 -2.212 1.00 0.00 C ATOM 263 O VAL A 20 -6.130 -2.498 -2.901 1.00 0.00 O ATOM 264 CB VAL A 20 -5.335 0.010 -1.366 1.00 0.00 C ATOM 265 CG1 VAL A 20 -5.622 -0.527 0.028 1.00 0.00 C ATOM 266 CG2 VAL A 20 -4.687 1.384 -1.294 1.00 0.00 C ATOM 0 H VAL A 20 -4.927 0.007 -3.940 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.485 -1.068 -1.631 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.284 0.108 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.256 0.178 0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.131 -1.487 -0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.684 -0.656 0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.334 2.062 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.724 1.306 -0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.539 1.770 -2.303 1.00 0.00 H new ATOM 276 N MET A 21 -4.572 -3.297 -1.487 1.00 0.00 N ATOM 277 CA MET A 21 -5.132 -4.643 -1.459 1.00 0.00 C ATOM 278 C MET A 21 -6.093 -4.808 -0.285 1.00 0.00 C ATOM 279 O MET A 21 -7.136 -5.449 -0.411 1.00 0.00 O ATOM 280 CB MET A 21 -4.013 -5.682 -1.366 1.00 0.00 C ATOM 281 CG MET A 21 -3.218 -5.834 -2.653 1.00 0.00 C ATOM 282 SD MET A 21 -4.263 -6.200 -4.076 1.00 0.00 S ATOM 283 CE MET A 21 -3.502 -5.169 -5.328 1.00 0.00 C ATOM 0 H MET A 21 -3.739 -3.174 -0.912 1.00 0.00 H new ATOM 0 HA MET A 21 -5.687 -4.798 -2.385 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.334 -5.402 -0.560 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.445 -6.647 -1.099 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.662 -4.916 -2.842 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.485 -6.631 -2.531 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.059 -5.258 -6.261 1.00 0.00 H new ATOM 0 HE2 MET A 21 -3.510 -4.130 -4.998 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.473 -5.491 -5.488 1.00 0.00 H new ATOM 293 N SER A 22 -5.733 -4.227 0.855 1.00 0.00 N ATOM 294 CA SER A 22 -6.562 -4.313 2.051 1.00 0.00 C ATOM 295 C SER A 22 -6.174 -3.235 3.059 1.00 0.00 C ATOM 296 O SER A 22 -5.118 -2.615 2.947 1.00 0.00 O ATOM 297 CB SER A 22 -6.428 -5.697 2.691 1.00 0.00 C ATOM 298 OG SER A 22 -7.610 -6.053 3.386 1.00 0.00 O ATOM 0 H SER A 22 -4.873 -3.692 0.975 1.00 0.00 H new ATOM 0 HA SER A 22 -7.600 -4.155 1.757 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.218 -6.439 1.920 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.582 -5.703 3.378 1.00 0.00 H new ATOM 0 HG SER A 22 -7.500 -6.942 3.784 1.00 0.00 H new ATOM 304 N GLY A 23 -7.039 -3.018 4.046 1.00 0.00 N ATOM 305 CA GLY A 23 -6.771 -2.015 5.060 1.00 0.00 C ATOM 306 C GLY A 23 -6.797 -2.588 6.463 1.00 0.00 C ATOM 307 O GLY A 23 -6.464 -3.755 6.672 1.00 0.00 O ATOM 0 H GLY A 23 -7.920 -3.519 4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.796 -1.565 4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.510 -1.218 4.983 1.00 0.00 H new ATOM 311 N THR A 24 -7.191 -1.765 7.429 1.00 0.00 N ATOM 312 CA THR A 24 -7.256 -2.195 8.821 1.00 0.00 C ATOM 313 C THR A 24 -8.643 -1.956 9.406 1.00 0.00 C ATOM 314 O THR A 24 -9.485 -1.304 8.787 1.00 0.00 O ATOM 315 CB THR A 24 -6.214 -1.461 9.685 1.00 0.00 C ATOM 316 OG1 THR A 24 -6.331 -0.046 9.498 1.00 0.00 O ATOM 317 CG2 THR A 24 -4.804 -1.909 9.329 1.00 0.00 C ATOM 0 H THR A 24 -7.470 -0.796 7.274 1.00 0.00 H new ATOM 0 HA THR A 24 -7.039 -3.263 8.832 1.00 0.00 H new ATOM 0 HB THR A 24 -6.404 -1.706 10.730 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.666 0.413 10.052 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.085 -1.377 9.952 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.709 -2.981 9.500 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.607 -1.690 8.280 1.00 0.00 H new ATOM 325 N ASP A 25 -8.875 -2.486 10.601 1.00 0.00 N ATOM 326 CA ASP A 25 -10.161 -2.328 11.272 1.00 0.00 C ATOM 327 C ASP A 25 -10.534 -0.854 11.392 1.00 0.00 C ATOM 328 O ASP A 25 -11.660 -0.461 11.088 1.00 0.00 O ATOM 329 CB ASP A 25 -10.119 -2.972 12.658 1.00 0.00 C ATOM 330 CG ASP A 25 -10.182 -4.485 12.597 1.00 0.00 C ATOM 331 OD1 ASP A 25 -11.303 -5.030 12.510 1.00 0.00 O ATOM 332 OD2 ASP A 25 -9.111 -5.125 12.634 1.00 0.00 O ATOM 0 H ASP A 25 -8.190 -3.029 11.126 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.921 -2.828 10.671 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.204 -2.670 13.168 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.953 -2.601 13.253 1.00 0.00 H new ATOM 337 N SER A 26 -9.581 -0.042 11.839 1.00 0.00 N ATOM 338 CA SER A 26 -9.811 1.388 12.005 1.00 0.00 C ATOM 339 C SER A 26 -10.079 2.055 10.659 1.00 0.00 C ATOM 340 O SER A 26 -10.984 2.879 10.533 1.00 0.00 O ATOM 341 CB SER A 26 -8.606 2.045 12.681 1.00 0.00 C ATOM 342 OG SER A 26 -8.617 1.814 14.079 1.00 0.00 O ATOM 0 H SER A 26 -8.642 -0.350 12.093 1.00 0.00 H new ATOM 0 HA SER A 26 -10.689 1.518 12.637 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.685 1.651 12.251 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.616 3.117 12.486 1.00 0.00 H new ATOM 0 HG SER A 26 -7.836 2.242 14.488 1.00 0.00 H new ATOM 348 N GLN A 27 -9.285 1.692 9.657 1.00 0.00 N ATOM 349 CA GLN A 27 -9.435 2.255 8.321 1.00 0.00 C ATOM 350 C GLN A 27 -9.683 1.156 7.292 1.00 0.00 C ATOM 351 O GLN A 27 -8.855 0.270 7.083 1.00 0.00 O ATOM 352 CB GLN A 27 -8.190 3.056 7.939 1.00 0.00 C ATOM 353 CG GLN A 27 -8.222 4.497 8.421 1.00 0.00 C ATOM 354 CD GLN A 27 -7.418 5.427 7.534 1.00 0.00 C ATOM 355 OE1 GLN A 27 -6.380 5.044 6.992 1.00 0.00 O ATOM 356 NE2 GLN A 27 -7.892 6.658 7.381 1.00 0.00 N ATOM 0 H GLN A 27 -8.531 1.010 9.745 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.298 2.921 8.330 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.310 2.563 8.352 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.081 3.047 6.855 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.256 4.841 8.459 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.833 4.545 9.438 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.756 6.934 7.848 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.392 7.328 6.796 1.00 0.00 H new ATOM 365 N PRO A 28 -10.851 1.214 6.635 1.00 0.00 N ATOM 366 CA PRO A 28 -11.235 0.232 5.616 1.00 0.00 C ATOM 367 C PRO A 28 -10.401 0.357 4.346 1.00 0.00 C ATOM 368 O PRO A 28 -9.883 1.430 4.034 1.00 0.00 O ATOM 369 CB PRO A 28 -12.700 0.572 5.330 1.00 0.00 C ATOM 370 CG PRO A 28 -12.831 2.012 5.687 1.00 0.00 C ATOM 371 CD PRO A 28 -11.886 2.242 6.834 1.00 0.00 C ATOM 0 HA PRO A 28 -11.079 -0.791 5.957 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.949 0.399 4.283 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.373 -0.046 5.924 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.578 2.649 4.839 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.856 2.252 5.971 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.464 3.247 6.812 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.386 2.128 7.796 1.00 0.00 H new ATOM 379 N LYS A 29 -10.275 -0.746 3.615 1.00 0.00 N ATOM 380 CA LYS A 29 -9.505 -0.760 2.377 1.00 0.00 C ATOM 381 C LYS A 29 -9.767 0.501 1.559 1.00 0.00 C ATOM 382 O LYS A 29 -8.852 1.252 1.222 1.00 0.00 O ATOM 383 CB LYS A 29 -9.854 -1.999 1.550 1.00 0.00 C ATOM 384 CG LYS A 29 -9.752 -1.777 0.050 1.00 0.00 C ATOM 385 CD LYS A 29 -9.868 -3.085 -0.715 1.00 0.00 C ATOM 386 CE LYS A 29 -9.509 -2.905 -2.183 1.00 0.00 C ATOM 387 NZ LYS A 29 -9.982 -4.047 -3.013 1.00 0.00 N ATOM 0 H LYS A 29 -10.697 -1.642 3.859 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.447 -0.790 2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.189 -2.815 1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.868 -2.315 1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.539 -1.095 -0.272 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.800 -1.300 -0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.210 -3.830 -0.267 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.885 -3.467 -0.632 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.949 -1.979 -2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.428 -2.806 -2.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.718 -3.887 -4.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.542 -4.927 -2.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.016 -4.126 -2.938 1.00 0.00 H new ATOM 401 N PRO A 30 -11.046 0.741 1.234 1.00 0.00 N ATOM 402 CA PRO A 30 -11.458 1.912 0.454 1.00 0.00 C ATOM 403 C PRO A 30 -11.311 3.212 1.237 1.00 0.00 C ATOM 404 O PRO A 30 -11.915 4.228 0.892 1.00 0.00 O ATOM 405 CB PRO A 30 -12.932 1.635 0.150 1.00 0.00 C ATOM 406 CG PRO A 30 -13.382 0.731 1.245 1.00 0.00 C ATOM 407 CD PRO A 30 -12.189 -0.111 1.603 1.00 0.00 C ATOM 0 HA PRO A 30 -10.843 2.046 -0.436 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.513 2.557 0.134 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.053 1.165 -0.826 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.728 1.303 2.106 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.216 0.109 0.920 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.178 -0.361 2.664 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.182 -1.052 1.054 1.00 0.00 H new ATOM 415 N ASP A 31 -10.505 3.173 2.293 1.00 0.00 N ATOM 416 CA ASP A 31 -10.277 4.349 3.125 1.00 0.00 C ATOM 417 C ASP A 31 -9.161 5.215 2.548 1.00 0.00 C ATOM 418 O ASP A 31 -9.357 6.401 2.280 1.00 0.00 O ATOM 419 CB ASP A 31 -9.927 3.929 4.553 1.00 0.00 C ATOM 420 CG ASP A 31 -9.756 5.117 5.480 1.00 0.00 C ATOM 421 OD1 ASP A 31 -9.008 6.049 5.118 1.00 0.00 O ATOM 422 OD2 ASP A 31 -10.371 5.114 6.567 1.00 0.00 O ATOM 0 H ASP A 31 -9.999 2.340 2.593 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.196 4.936 3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.712 3.279 4.940 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.007 3.345 4.542 1.00 0.00 H new ATOM 427 N LEU A 32 -7.991 4.615 2.360 1.00 0.00 N ATOM 428 CA LEU A 32 -6.843 5.332 1.816 1.00 0.00 C ATOM 429 C LEU A 32 -7.063 5.678 0.347 1.00 0.00 C ATOM 430 O LEU A 32 -6.729 6.775 -0.098 1.00 0.00 O ATOM 431 CB LEU A 32 -5.573 4.492 1.969 1.00 0.00 C ATOM 432 CG LEU A 32 -5.409 3.761 3.302 1.00 0.00 C ATOM 433 CD1 LEU A 32 -4.673 2.445 3.102 1.00 0.00 C ATOM 434 CD2 LEU A 32 -4.674 4.638 4.305 1.00 0.00 C ATOM 0 H LEU A 32 -7.812 3.634 2.576 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.727 6.260 2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.551 3.754 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.711 5.144 1.826 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.400 3.543 3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.566 1.939 4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.239 1.812 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.686 2.640 2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.567 4.101 5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.687 4.888 3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.241 5.554 4.472 1.00 0.00 H new ATOM 446 N GLU A 33 -7.629 4.735 -0.399 1.00 0.00 N ATOM 447 CA GLU A 33 -7.895 4.942 -1.818 1.00 0.00 C ATOM 448 C GLU A 33 -8.488 6.326 -2.064 1.00 0.00 C ATOM 449 O GLU A 33 -8.043 7.055 -2.951 1.00 0.00 O ATOM 450 CB GLU A 33 -8.849 3.867 -2.343 1.00 0.00 C ATOM 451 CG GLU A 33 -8.329 2.450 -2.161 1.00 0.00 C ATOM 452 CD GLU A 33 -9.003 1.458 -3.088 1.00 0.00 C ATOM 453 OE1 GLU A 33 -10.239 1.306 -2.998 1.00 0.00 O ATOM 454 OE2 GLU A 33 -8.294 0.832 -3.903 1.00 0.00 O ATOM 0 H GLU A 33 -7.912 3.821 -0.045 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.948 4.870 -2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.807 3.962 -1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.034 4.044 -3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.254 2.436 -2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.485 2.140 -1.128 1.00 0.00 H new ATOM 461 N ASN A 34 -9.494 6.682 -1.273 1.00 0.00 N ATOM 462 CA ASN A 34 -10.149 7.979 -1.405 1.00 0.00 C ATOM 463 C ASN A 34 -9.166 9.114 -1.138 1.00 0.00 C ATOM 464 O ASN A 34 -8.984 10.001 -1.973 1.00 0.00 O ATOM 465 CB ASN A 34 -11.333 8.076 -0.440 1.00 0.00 C ATOM 466 CG ASN A 34 -12.478 7.163 -0.835 1.00 0.00 C ATOM 467 OD1 ASN A 34 -12.785 7.011 -2.017 1.00 0.00 O ATOM 468 ND2 ASN A 34 -13.115 6.551 0.156 1.00 0.00 N ATOM 0 H ASN A 34 -9.874 6.091 -0.534 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.514 8.072 -2.428 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.000 7.822 0.566 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.688 9.106 -0.407 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -13.894 5.925 -0.048 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.826 6.707 1.122 1.00 0.00 H new ATOM 475 N ARG A 35 -8.535 9.080 0.031 1.00 0.00 N ATOM 476 CA ARG A 35 -7.570 10.107 0.409 1.00 0.00 C ATOM 477 C ARG A 35 -6.518 10.291 -0.681 1.00 0.00 C ATOM 478 O ARG A 35 -6.336 11.393 -1.201 1.00 0.00 O ATOM 479 CB ARG A 35 -6.893 9.738 1.730 1.00 0.00 C ATOM 480 CG ARG A 35 -7.772 9.962 2.949 1.00 0.00 C ATOM 481 CD ARG A 35 -6.944 10.296 4.180 1.00 0.00 C ATOM 482 NE ARG A 35 -7.621 9.910 5.415 1.00 0.00 N ATOM 483 CZ ARG A 35 -8.590 10.623 5.977 1.00 0.00 C ATOM 484 NH1 ARG A 35 -8.995 11.754 5.416 1.00 0.00 N ATOM 485 NH2 ARG A 35 -9.157 10.206 7.102 1.00 0.00 N ATOM 0 H ARG A 35 -8.674 8.353 0.733 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.107 11.047 0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.595 8.690 1.695 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.981 10.325 1.837 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.473 10.773 2.750 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.365 9.068 3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.982 9.787 4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.737 11.366 4.199 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.333 9.044 5.871 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.562 12.078 4.551 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.740 12.300 5.849 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.849 9.336 7.537 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.901 10.755 7.532 1.00 0.00 H new ATOM 499 N ILE A 36 -5.829 9.207 -1.021 1.00 0.00 N ATOM 500 CA ILE A 36 -4.796 9.250 -2.048 1.00 0.00 C ATOM 501 C ILE A 36 -5.227 10.120 -3.224 1.00 0.00 C ATOM 502 O ILE A 36 -4.591 11.129 -3.528 1.00 0.00 O ATOM 503 CB ILE A 36 -4.457 7.839 -2.565 1.00 0.00 C ATOM 504 CG1 ILE A 36 -3.929 6.968 -1.423 1.00 0.00 C ATOM 505 CG2 ILE A 36 -3.439 7.919 -3.692 1.00 0.00 C ATOM 506 CD1 ILE A 36 -3.899 5.492 -1.754 1.00 0.00 C ATOM 0 H ILE A 36 -5.968 8.288 -0.600 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.908 9.681 -1.585 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.366 7.382 -2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.922 7.295 -1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.551 7.122 -0.541 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.209 6.914 -4.047 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.849 8.509 -4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.527 8.392 -3.326 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.514 4.935 -0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.908 5.150 -1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.253 5.326 -2.616 1.00 0.00 H new ATOM 518 N ALA A 37 -6.311 9.723 -3.881 1.00 0.00 N ATOM 519 CA ALA A 37 -6.829 10.468 -5.022 1.00 0.00 C ATOM 520 C ALA A 37 -6.909 11.959 -4.713 1.00 0.00 C ATOM 521 O ALA A 37 -6.524 12.793 -5.532 1.00 0.00 O ATOM 522 CB ALA A 37 -8.198 9.937 -5.422 1.00 0.00 C ATOM 0 H ALA A 37 -6.848 8.889 -3.643 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.140 10.332 -5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.573 10.503 -6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.115 8.884 -5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.888 10.043 -4.585 1.00 0.00 H new ATOM 528 N GLU A 38 -7.411 12.287 -3.526 1.00 0.00 N ATOM 529 CA GLU A 38 -7.542 13.679 -3.111 1.00 0.00 C ATOM 530 C GLU A 38 -6.184 14.376 -3.109 1.00 0.00 C ATOM 531 O GLU A 38 -6.094 15.584 -3.329 1.00 0.00 O ATOM 532 CB GLU A 38 -8.173 13.762 -1.720 1.00 0.00 C ATOM 533 CG GLU A 38 -9.581 13.195 -1.655 1.00 0.00 C ATOM 534 CD GLU A 38 -10.256 13.461 -0.323 1.00 0.00 C ATOM 535 OE1 GLU A 38 -10.908 14.519 -0.190 1.00 0.00 O ATOM 536 OE2 GLU A 38 -10.134 12.613 0.585 1.00 0.00 O ATOM 0 H GLU A 38 -7.733 11.609 -2.836 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.190 14.186 -3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.542 13.226 -1.011 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.195 14.804 -1.402 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.181 13.629 -2.455 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.544 12.120 -1.831 1.00 0.00 H new ATOM 543 N PHE A 39 -5.131 13.606 -2.858 1.00 0.00 N ATOM 544 CA PHE A 39 -3.778 14.148 -2.825 1.00 0.00 C ATOM 545 C PHE A 39 -3.113 14.036 -4.194 1.00 0.00 C ATOM 546 O PHE A 39 -1.888 14.016 -4.302 1.00 0.00 O ATOM 547 CB PHE A 39 -2.938 13.416 -1.776 1.00 0.00 C ATOM 548 CG PHE A 39 -3.059 13.999 -0.397 1.00 0.00 C ATOM 549 CD1 PHE A 39 -4.044 13.558 0.472 1.00 0.00 C ATOM 550 CD2 PHE A 39 -2.188 14.989 0.030 1.00 0.00 C ATOM 551 CE1 PHE A 39 -4.158 14.092 1.741 1.00 0.00 C ATOM 552 CE2 PHE A 39 -2.297 15.526 1.298 1.00 0.00 C ATOM 553 CZ PHE A 39 -3.284 15.078 2.155 1.00 0.00 C ATOM 0 H PHE A 39 -5.189 12.604 -2.674 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.843 15.203 -2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.240 12.369 -1.747 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.892 13.438 -2.080 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.731 12.788 0.154 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.416 15.344 -0.636 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.930 13.739 2.409 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.611 16.296 1.619 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.372 15.498 3.146 1.00 0.00 H new ATOM 563 N GLY A 40 -3.933 13.962 -5.239 1.00 0.00 N ATOM 564 CA GLY A 40 -3.407 13.852 -6.587 1.00 0.00 C ATOM 565 C GLY A 40 -2.730 12.519 -6.838 1.00 0.00 C ATOM 566 O GLY A 40 -1.612 12.470 -7.350 1.00 0.00 O ATOM 0 H GLY A 40 -4.951 13.976 -5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.219 13.984 -7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.693 14.657 -6.762 1.00 0.00 H new ATOM 570 N GLY A 41 -3.408 11.435 -6.476 1.00 0.00 N ATOM 571 CA GLY A 41 -2.848 10.110 -6.671 1.00 0.00 C ATOM 572 C GLY A 41 -3.757 9.211 -7.486 1.00 0.00 C ATOM 573 O GLY A 41 -4.980 9.345 -7.438 1.00 0.00 O ATOM 0 H GLY A 41 -4.335 11.450 -6.051 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.884 10.196 -7.172 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.663 9.650 -5.700 1.00 0.00 H new ATOM 577 N TYR A 42 -3.160 8.292 -8.236 1.00 0.00 N ATOM 578 CA TYR A 42 -3.923 7.370 -9.068 1.00 0.00 C ATOM 579 C TYR A 42 -4.113 6.030 -8.363 1.00 0.00 C ATOM 580 O TYR A 42 -3.153 5.432 -7.875 1.00 0.00 O ATOM 581 CB TYR A 42 -3.220 7.158 -10.410 1.00 0.00 C ATOM 582 CG TYR A 42 -4.149 6.714 -11.517 1.00 0.00 C ATOM 583 CD1 TYR A 42 -4.914 7.636 -12.220 1.00 0.00 C ATOM 584 CD2 TYR A 42 -4.262 5.372 -11.859 1.00 0.00 C ATOM 585 CE1 TYR A 42 -5.765 7.234 -13.232 1.00 0.00 C ATOM 586 CE2 TYR A 42 -5.109 4.961 -12.870 1.00 0.00 C ATOM 587 CZ TYR A 42 -5.858 5.896 -13.554 1.00 0.00 C ATOM 588 OH TYR A 42 -6.704 5.491 -14.561 1.00 0.00 O ATOM 0 H TYR A 42 -2.149 8.166 -8.285 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.905 7.809 -9.246 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.733 8.087 -10.706 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.435 6.413 -10.285 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -4.843 8.685 -11.972 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.677 4.637 -11.325 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.354 7.964 -13.768 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.184 3.914 -13.123 1.00 0.00 H new ATOM 0 HH TYR A 42 -6.650 4.518 -14.662 1.00 0.00 H new ATOM 598 N ILE A 43 -5.357 5.565 -8.315 1.00 0.00 N ATOM 599 CA ILE A 43 -5.673 4.296 -7.672 1.00 0.00 C ATOM 600 C ILE A 43 -6.086 3.247 -8.700 1.00 0.00 C ATOM 601 O ILE A 43 -7.061 3.429 -9.430 1.00 0.00 O ATOM 602 CB ILE A 43 -6.800 4.455 -6.635 1.00 0.00 C ATOM 603 CG1 ILE A 43 -6.399 5.473 -5.566 1.00 0.00 C ATOM 604 CG2 ILE A 43 -7.129 3.112 -6.000 1.00 0.00 C ATOM 605 CD1 ILE A 43 -5.203 5.046 -4.744 1.00 0.00 C ATOM 0 H ILE A 43 -6.162 6.048 -8.714 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.767 3.966 -7.163 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.692 4.822 -7.143 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.177 6.425 -6.048 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.246 5.642 -4.901 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.927 3.241 -5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.453 2.414 -6.772 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.243 2.718 -5.503 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.975 5.815 -4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.428 4.109 -4.234 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.343 4.905 -5.399 1.00 0.00 H new ATOM 617 N VAL A 44 -5.340 2.149 -8.750 1.00 0.00 N ATOM 618 CA VAL A 44 -5.630 1.069 -9.685 1.00 0.00 C ATOM 619 C VAL A 44 -6.187 -0.151 -8.960 1.00 0.00 C ATOM 620 O VAL A 44 -6.427 -0.112 -7.754 1.00 0.00 O ATOM 621 CB VAL A 44 -4.373 0.655 -10.473 1.00 0.00 C ATOM 622 CG1 VAL A 44 -3.854 1.821 -11.301 1.00 0.00 C ATOM 623 CG2 VAL A 44 -3.298 0.141 -9.528 1.00 0.00 C ATOM 0 H VAL A 44 -4.529 1.984 -8.153 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.378 1.447 -10.382 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.641 -0.152 -11.155 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.966 1.510 -11.851 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.624 2.139 -12.005 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.600 2.651 -10.642 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.417 -0.147 -10.101 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.030 0.926 -8.821 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.676 -0.725 -8.984 1.00 0.00 H new ATOM 633 N GLN A 45 -6.389 -1.234 -9.705 1.00 0.00 N ATOM 634 CA GLN A 45 -6.918 -2.466 -9.132 1.00 0.00 C ATOM 635 C GLN A 45 -5.828 -3.527 -9.023 1.00 0.00 C ATOM 636 O GLN A 45 -5.679 -4.172 -7.986 1.00 0.00 O ATOM 637 CB GLN A 45 -8.075 -2.993 -9.983 1.00 0.00 C ATOM 638 CG GLN A 45 -9.349 -2.174 -9.852 1.00 0.00 C ATOM 639 CD GLN A 45 -9.716 -1.892 -8.408 1.00 0.00 C ATOM 640 OE1 GLN A 45 -10.168 -2.781 -7.686 1.00 0.00 O ATOM 641 NE2 GLN A 45 -9.521 -0.651 -7.979 1.00 0.00 N ATOM 0 H GLN A 45 -6.195 -1.283 -10.705 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.285 -2.243 -8.130 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.768 -3.008 -11.029 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.285 -4.024 -9.698 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.226 -1.230 -10.382 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.169 -2.706 -10.334 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.144 0.054 -8.612 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.748 -0.403 -7.016 1.00 0.00 H new ATOM 650 N ASN A 46 -5.069 -3.702 -10.100 1.00 0.00 N ATOM 651 CA ASN A 46 -3.993 -4.686 -10.124 1.00 0.00 C ATOM 652 C ASN A 46 -2.644 -4.011 -10.354 1.00 0.00 C ATOM 653 O ASN A 46 -2.493 -3.147 -11.218 1.00 0.00 O ATOM 654 CB ASN A 46 -4.248 -5.725 -11.218 1.00 0.00 C ATOM 655 CG ASN A 46 -4.245 -5.115 -12.607 1.00 0.00 C ATOM 656 OD1 ASN A 46 -3.191 -4.953 -13.223 1.00 0.00 O ATOM 657 ND2 ASN A 46 -5.427 -4.773 -13.105 1.00 0.00 N ATOM 0 H ASN A 46 -5.179 -3.176 -10.967 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.970 -5.186 -9.156 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.485 -6.501 -11.163 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.208 -6.209 -11.039 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.488 -4.357 -14.034 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.274 -4.926 -12.558 1.00 0.00 H new ATOM 664 N PRO A 47 -1.639 -4.413 -9.562 1.00 0.00 N ATOM 665 CA PRO A 47 -0.284 -3.862 -9.660 1.00 0.00 C ATOM 666 C PRO A 47 0.424 -4.288 -10.942 1.00 0.00 C ATOM 667 O PRO A 47 0.423 -5.464 -11.301 1.00 0.00 O ATOM 668 CB PRO A 47 0.427 -4.446 -8.437 1.00 0.00 C ATOM 669 CG PRO A 47 -0.315 -5.701 -8.132 1.00 0.00 C ATOM 670 CD PRO A 47 -1.747 -5.439 -8.511 1.00 0.00 C ATOM 0 HA PRO A 47 -0.289 -2.772 -9.687 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.477 -4.648 -8.648 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.399 -3.755 -7.595 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.090 -6.541 -8.696 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.232 -5.957 -7.076 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.237 -6.341 -8.878 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.329 -5.084 -7.661 1.00 0.00 H new ATOM 678 N GLY A 48 1.029 -3.322 -11.628 1.00 0.00 N ATOM 679 CA GLY A 48 1.733 -3.618 -12.862 1.00 0.00 C ATOM 680 C GLY A 48 3.074 -2.917 -12.946 1.00 0.00 C ATOM 681 O GLY A 48 3.652 -2.512 -11.937 1.00 0.00 O ATOM 0 H GLY A 48 1.044 -2.340 -11.351 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.884 -4.695 -12.942 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.116 -3.319 -13.709 1.00 0.00 H new ATOM 685 N PRO A 49 3.591 -2.767 -14.175 1.00 0.00 N ATOM 686 CA PRO A 49 4.880 -2.112 -14.416 1.00 0.00 C ATOM 687 C PRO A 49 4.826 -0.611 -14.149 1.00 0.00 C ATOM 688 O PRO A 49 5.853 0.022 -13.904 1.00 0.00 O ATOM 689 CB PRO A 49 5.143 -2.382 -15.900 1.00 0.00 C ATOM 690 CG PRO A 49 3.791 -2.579 -16.494 1.00 0.00 C ATOM 691 CD PRO A 49 2.958 -3.226 -15.422 1.00 0.00 C ATOM 0 HA PRO A 49 5.660 -2.491 -13.755 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.663 -1.547 -16.368 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.768 -3.264 -16.037 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.358 -1.628 -16.803 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.843 -3.209 -17.382 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.915 -2.915 -15.481 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.972 -4.313 -15.503 1.00 0.00 H new ATOM 699 N ASP A 50 3.624 -0.049 -14.198 1.00 0.00 N ATOM 700 CA ASP A 50 3.436 1.377 -13.960 1.00 0.00 C ATOM 701 C ASP A 50 2.808 1.622 -12.592 1.00 0.00 C ATOM 702 O ASP A 50 1.914 2.456 -12.446 1.00 0.00 O ATOM 703 CB ASP A 50 2.559 1.988 -15.054 1.00 0.00 C ATOM 704 CG ASP A 50 2.866 3.453 -15.292 1.00 0.00 C ATOM 705 OD1 ASP A 50 2.439 4.290 -14.470 1.00 0.00 O ATOM 706 OD2 ASP A 50 3.533 3.763 -16.302 1.00 0.00 O ATOM 0 H ASP A 50 2.764 -0.559 -14.401 1.00 0.00 H new ATOM 0 HA ASP A 50 4.415 1.855 -13.981 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.703 1.434 -15.982 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.510 1.880 -14.777 1.00 0.00 H new ATOM 711 N THR A 51 3.281 0.887 -11.589 1.00 0.00 N ATOM 712 CA THR A 51 2.765 1.022 -10.233 1.00 0.00 C ATOM 713 C THR A 51 3.872 1.412 -9.260 1.00 0.00 C ATOM 714 O THR A 51 5.015 0.974 -9.396 1.00 0.00 O ATOM 715 CB THR A 51 2.109 -0.285 -9.749 1.00 0.00 C ATOM 716 OG1 THR A 51 1.115 -0.710 -10.687 1.00 0.00 O ATOM 717 CG2 THR A 51 1.474 -0.097 -8.380 1.00 0.00 C ATOM 0 H THR A 51 4.021 0.192 -11.691 1.00 0.00 H new ATOM 0 HA THR A 51 2.012 1.810 -10.258 1.00 0.00 H new ATOM 0 HB THR A 51 2.884 -1.048 -9.671 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.598 0.066 -10.989 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.017 -1.033 -8.059 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.239 0.199 -7.662 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.710 0.679 -8.437 1.00 0.00 H new ATOM 725 N TYR A 52 3.526 2.238 -8.278 1.00 0.00 N ATOM 726 CA TYR A 52 4.491 2.688 -7.283 1.00 0.00 C ATOM 727 C TYR A 52 4.747 1.603 -6.242 1.00 0.00 C ATOM 728 O TYR A 52 5.884 1.170 -6.046 1.00 0.00 O ATOM 729 CB TYR A 52 3.992 3.961 -6.596 1.00 0.00 C ATOM 730 CG TYR A 52 5.101 4.828 -6.046 1.00 0.00 C ATOM 731 CD1 TYR A 52 6.187 5.185 -6.836 1.00 0.00 C ATOM 732 CD2 TYR A 52 5.063 5.291 -4.737 1.00 0.00 C ATOM 733 CE1 TYR A 52 7.204 5.976 -6.337 1.00 0.00 C ATOM 734 CE2 TYR A 52 6.074 6.084 -4.230 1.00 0.00 C ATOM 735 CZ TYR A 52 7.143 6.423 -5.034 1.00 0.00 C ATOM 736 OH TYR A 52 8.153 7.213 -4.533 1.00 0.00 O ATOM 0 H TYR A 52 2.584 2.609 -8.150 1.00 0.00 H new ATOM 0 HA TYR A 52 5.429 2.903 -7.796 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.407 4.543 -7.309 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.321 3.685 -5.783 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.237 4.838 -7.858 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.228 5.026 -4.105 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.042 6.243 -6.964 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.028 6.437 -3.210 1.00 0.00 H new ATOM 0 HH TYR A 52 8.545 7.742 -5.259 1.00 0.00 H new ATOM 746 N CYS A 53 3.683 1.167 -5.577 1.00 0.00 N ATOM 747 CA CYS A 53 3.791 0.132 -4.555 1.00 0.00 C ATOM 748 C CYS A 53 2.414 -0.408 -4.181 1.00 0.00 C ATOM 749 O CYS A 53 1.393 0.221 -4.456 1.00 0.00 O ATOM 750 CB CYS A 53 4.490 0.684 -3.312 1.00 0.00 C ATOM 751 SG CYS A 53 3.651 2.097 -2.559 1.00 0.00 S ATOM 0 H CYS A 53 2.736 1.514 -5.727 1.00 0.00 H new ATOM 0 HA CYS A 53 4.384 -0.686 -4.963 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.574 -0.112 -2.572 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.505 0.978 -3.580 1.00 0.00 H new ATOM 0 HG CYS A 53 2.397 2.090 -2.901 1.00 0.00 H new ATOM 757 N VAL A 54 2.394 -1.580 -3.554 1.00 0.00 N ATOM 758 CA VAL A 54 1.143 -2.206 -3.143 1.00 0.00 C ATOM 759 C VAL A 54 0.871 -1.968 -1.662 1.00 0.00 C ATOM 760 O VAL A 54 1.669 -2.347 -0.804 1.00 0.00 O ATOM 761 CB VAL A 54 1.159 -3.722 -3.413 1.00 0.00 C ATOM 762 CG1 VAL A 54 -0.073 -4.384 -2.815 1.00 0.00 C ATOM 763 CG2 VAL A 54 1.249 -3.996 -4.907 1.00 0.00 C ATOM 0 H VAL A 54 3.230 -2.115 -3.320 1.00 0.00 H new ATOM 0 HA VAL A 54 0.350 -1.748 -3.734 1.00 0.00 H new ATOM 0 HB VAL A 54 2.040 -4.149 -2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.044 -5.455 -3.016 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.089 -4.217 -1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.970 -3.955 -3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.259 -5.072 -5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.388 -3.556 -5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.164 -3.556 -5.303 1.00 0.00 H new ATOM 773 N ILE A 55 -0.262 -1.338 -1.368 1.00 0.00 N ATOM 774 CA ILE A 55 -0.641 -1.051 0.009 1.00 0.00 C ATOM 775 C ILE A 55 -1.486 -2.178 0.593 1.00 0.00 C ATOM 776 O ILE A 55 -2.659 -2.329 0.252 1.00 0.00 O ATOM 777 CB ILE A 55 -1.425 0.271 0.114 1.00 0.00 C ATOM 778 CG1 ILE A 55 -0.578 1.434 -0.405 1.00 0.00 C ATOM 779 CG2 ILE A 55 -1.853 0.520 1.552 1.00 0.00 C ATOM 780 CD1 ILE A 55 0.699 1.649 0.378 1.00 0.00 C ATOM 0 H ILE A 55 -0.933 -1.017 -2.066 1.00 0.00 H new ATOM 0 HA ILE A 55 0.284 -0.961 0.578 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.321 0.195 -0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.327 1.252 -1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.172 2.348 -0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.406 1.458 1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.490 -0.298 1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.971 0.579 2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.249 2.489 -0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.456 1.862 1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.313 0.750 0.326 1.00 0.00 H new ATOM 792 N ALA A 56 -0.883 -2.966 1.477 1.00 0.00 N ATOM 793 CA ALA A 56 -1.581 -4.077 2.112 1.00 0.00 C ATOM 794 C ALA A 56 -1.464 -4.002 3.631 1.00 0.00 C ATOM 795 O ALA A 56 -0.368 -4.075 4.183 1.00 0.00 O ATOM 796 CB ALA A 56 -1.035 -5.403 1.603 1.00 0.00 C ATOM 0 H ALA A 56 0.088 -2.855 1.770 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.637 -4.008 1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.565 -6.224 2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.176 -5.464 0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.028 -5.472 1.834 1.00 0.00 H new ATOM 802 N GLY A 57 -2.603 -3.856 4.301 1.00 0.00 N ATOM 803 CA GLY A 57 -2.607 -3.773 5.749 1.00 0.00 C ATOM 804 C GLY A 57 -2.338 -5.112 6.407 1.00 0.00 C ATOM 805 O GLY A 57 -1.702 -5.178 7.459 1.00 0.00 O ATOM 0 H GLY A 57 -3.523 -3.794 3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.852 -3.055 6.071 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.572 -3.394 6.085 1.00 0.00 H new ATOM 809 N SER A 58 -2.825 -6.182 5.788 1.00 0.00 N ATOM 810 CA SER A 58 -2.639 -7.526 6.323 1.00 0.00 C ATOM 811 C SER A 58 -2.395 -8.529 5.200 1.00 0.00 C ATOM 812 O SER A 58 -2.929 -8.387 4.100 1.00 0.00 O ATOM 813 CB SER A 58 -3.862 -7.946 7.140 1.00 0.00 C ATOM 814 OG SER A 58 -3.520 -8.930 8.101 1.00 0.00 O ATOM 0 H SER A 58 -3.352 -6.145 4.915 1.00 0.00 H new ATOM 0 HA SER A 58 -1.764 -7.514 6.972 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.285 -7.075 7.641 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.632 -8.336 6.474 1.00 0.00 H new ATOM 0 HG SER A 58 -4.318 -9.180 8.611 1.00 0.00 H new ATOM 820 N GLU A 59 -1.585 -9.543 5.486 1.00 0.00 N ATOM 821 CA GLU A 59 -1.269 -10.570 4.500 1.00 0.00 C ATOM 822 C GLU A 59 -2.485 -11.448 4.220 1.00 0.00 C ATOM 823 O GLU A 59 -2.852 -12.296 5.032 1.00 0.00 O ATOM 824 CB GLU A 59 -0.103 -11.434 4.986 1.00 0.00 C ATOM 825 CG GLU A 59 1.193 -10.662 5.166 1.00 0.00 C ATOM 826 CD GLU A 59 1.105 -9.624 6.268 1.00 0.00 C ATOM 827 OE1 GLU A 59 0.600 -9.959 7.360 1.00 0.00 O ATOM 828 OE2 GLU A 59 1.542 -8.477 6.038 1.00 0.00 O ATOM 0 H GLU A 59 -1.136 -9.676 6.392 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.981 -10.072 3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.375 -11.896 5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.061 -12.242 4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.999 -11.360 5.393 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.452 -10.170 4.228 1.00 0.00 H new ATOM 835 N ASN A 60 -3.107 -11.236 3.064 1.00 0.00 N ATOM 836 CA ASN A 60 -4.283 -12.007 2.677 1.00 0.00 C ATOM 837 C ASN A 60 -4.048 -12.730 1.354 1.00 0.00 C ATOM 838 O ASN A 60 -3.037 -12.511 0.686 1.00 0.00 O ATOM 839 CB ASN A 60 -5.503 -11.092 2.560 1.00 0.00 C ATOM 840 CG ASN A 60 -5.518 -10.010 3.623 1.00 0.00 C ATOM 841 OD1 ASN A 60 -5.487 -8.819 3.313 1.00 0.00 O ATOM 842 ND2 ASN A 60 -5.564 -10.421 4.885 1.00 0.00 N ATOM 0 H ASN A 60 -2.816 -10.537 2.380 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.469 -12.752 3.451 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.513 -10.629 1.573 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.411 -11.690 2.641 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.575 -9.739 5.643 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.588 -11.419 5.096 1.00 0.00 H new ATOM 849 N ILE A 61 -4.988 -13.593 0.982 1.00 0.00 N ATOM 850 CA ILE A 61 -4.884 -14.346 -0.261 1.00 0.00 C ATOM 851 C ILE A 61 -4.388 -13.462 -1.400 1.00 0.00 C ATOM 852 O ILE A 61 -3.360 -13.744 -2.015 1.00 0.00 O ATOM 853 CB ILE A 61 -6.237 -14.966 -0.658 1.00 0.00 C ATOM 854 CG1 ILE A 61 -6.686 -15.982 0.394 1.00 0.00 C ATOM 855 CG2 ILE A 61 -6.137 -15.622 -2.027 1.00 0.00 C ATOM 856 CD1 ILE A 61 -5.706 -17.116 0.597 1.00 0.00 C ATOM 0 H ILE A 61 -5.830 -13.788 1.524 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.164 -15.146 -0.086 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.982 -14.172 -0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.835 -15.468 1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.651 -16.395 0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.101 -16.056 -2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.857 -14.874 -2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.381 -16.407 -2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.090 -17.797 1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.574 -17.655 -0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.746 -16.714 0.922 1.00 0.00 H new ATOM 868 N ARG A 62 -5.125 -12.391 -1.674 1.00 0.00 N ATOM 869 CA ARG A 62 -4.760 -11.464 -2.739 1.00 0.00 C ATOM 870 C ARG A 62 -3.305 -11.026 -2.603 1.00 0.00 C ATOM 871 O ARG A 62 -2.514 -11.164 -3.537 1.00 0.00 O ATOM 872 CB ARG A 62 -5.677 -10.240 -2.715 1.00 0.00 C ATOM 873 CG ARG A 62 -7.144 -10.574 -2.927 1.00 0.00 C ATOM 874 CD ARG A 62 -7.403 -11.076 -4.339 1.00 0.00 C ATOM 875 NE ARG A 62 -7.268 -12.527 -4.437 1.00 0.00 N ATOM 876 CZ ARG A 62 -8.245 -13.378 -4.145 1.00 0.00 C ATOM 877 NH1 ARG A 62 -9.423 -12.926 -3.739 1.00 0.00 N ATOM 878 NH2 ARG A 62 -8.044 -14.685 -4.260 1.00 0.00 N ATOM 0 H ARG A 62 -5.979 -12.143 -1.173 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.879 -11.979 -3.692 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.564 -9.730 -1.758 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.357 -9.541 -3.488 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.453 -11.332 -2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.751 -9.689 -2.737 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.406 -10.783 -4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.705 -10.600 -5.027 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.374 -12.908 -4.747 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.581 -11.922 -3.650 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.171 -13.582 -3.515 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.139 -15.036 -4.573 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.795 -15.338 -4.036 1.00 0.00 H new ATOM 892 N VAL A 63 -2.958 -10.497 -1.434 1.00 0.00 N ATOM 893 CA VAL A 63 -1.598 -10.039 -1.175 1.00 0.00 C ATOM 894 C VAL A 63 -0.577 -11.107 -1.553 1.00 0.00 C ATOM 895 O VAL A 63 0.395 -10.831 -2.256 1.00 0.00 O ATOM 896 CB VAL A 63 -1.406 -9.661 0.305 1.00 0.00 C ATOM 897 CG1 VAL A 63 0.018 -9.186 0.554 1.00 0.00 C ATOM 898 CG2 VAL A 63 -2.412 -8.598 0.719 1.00 0.00 C ATOM 0 H VAL A 63 -3.600 -10.375 -0.651 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.439 -9.154 -1.792 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.579 -10.548 0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.135 -8.923 1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.717 -9.982 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.223 -8.312 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.261 -8.343 1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.273 -7.708 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.423 -8.980 0.580 1.00 0.00 H new ATOM 908 N LYS A 64 -0.805 -12.328 -1.081 1.00 0.00 N ATOM 909 CA LYS A 64 0.093 -13.440 -1.370 1.00 0.00 C ATOM 910 C LYS A 64 0.447 -13.483 -2.853 1.00 0.00 C ATOM 911 O LYS A 64 1.607 -13.319 -3.229 1.00 0.00 O ATOM 912 CB LYS A 64 -0.550 -14.764 -0.950 1.00 0.00 C ATOM 913 CG LYS A 64 -0.229 -15.169 0.478 1.00 0.00 C ATOM 914 CD LYS A 64 -0.394 -16.666 0.683 1.00 0.00 C ATOM 915 CE LYS A 64 0.544 -17.187 1.762 1.00 0.00 C ATOM 916 NZ LYS A 64 -0.066 -17.098 3.117 1.00 0.00 N ATOM 0 H LYS A 64 -1.604 -12.573 -0.496 1.00 0.00 H new ATOM 0 HA LYS A 64 1.010 -13.291 -0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.631 -14.685 -1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.216 -15.551 -1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.794 -14.878 0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.883 -14.632 1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.425 -16.885 0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.197 -17.187 -0.254 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.804 -18.224 1.548 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.472 -16.616 1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.604 -17.462 3.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.291 -16.106 3.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.938 -17.664 3.143 1.00 0.00 H new ATOM 930 N ASN A 65 -0.561 -13.702 -3.691 1.00 0.00 N ATOM 931 CA ASN A 65 -0.356 -13.765 -5.134 1.00 0.00 C ATOM 932 C ASN A 65 0.706 -12.762 -5.576 1.00 0.00 C ATOM 933 O ASN A 65 1.672 -13.123 -6.249 1.00 0.00 O ATOM 934 CB ASN A 65 -1.669 -13.491 -5.869 1.00 0.00 C ATOM 935 CG ASN A 65 -2.497 -14.748 -6.062 1.00 0.00 C ATOM 936 OD1 ASN A 65 -2.240 -15.541 -6.968 1.00 0.00 O ATOM 937 ND2 ASN A 65 -3.496 -14.935 -5.208 1.00 0.00 N ATOM 0 H ASN A 65 -1.528 -13.839 -3.396 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.010 -14.768 -5.384 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.250 -12.759 -5.308 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.452 -13.049 -6.842 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.087 -15.763 -5.288 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.673 -14.251 -4.472 1.00 0.00 H new ATOM 944 N ILE A 66 0.519 -11.504 -5.194 1.00 0.00 N ATOM 945 CA ILE A 66 1.461 -10.450 -5.549 1.00 0.00 C ATOM 946 C ILE A 66 2.837 -10.717 -4.948 1.00 0.00 C ATOM 947 O ILE A 66 3.862 -10.439 -5.571 1.00 0.00 O ATOM 948 CB ILE A 66 0.967 -9.070 -5.078 1.00 0.00 C ATOM 949 CG1 ILE A 66 -0.297 -8.669 -5.842 1.00 0.00 C ATOM 950 CG2 ILE A 66 2.057 -8.025 -5.263 1.00 0.00 C ATOM 951 CD1 ILE A 66 -1.576 -9.139 -5.183 1.00 0.00 C ATOM 0 H ILE A 66 -0.276 -11.189 -4.638 1.00 0.00 H new ATOM 0 HA ILE A 66 1.536 -10.448 -6.636 1.00 0.00 H new ATOM 0 HB ILE A 66 0.725 -9.130 -4.017 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.325 -7.584 -5.938 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.247 -9.077 -6.851 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.692 -7.055 -4.925 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.933 -8.306 -4.679 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.327 -7.964 -6.317 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.431 -8.819 -5.779 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.570 -10.227 -5.111 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.649 -8.710 -4.184 1.00 0.00 H new ATOM 963 N ILE A 67 2.852 -11.258 -3.735 1.00 0.00 N ATOM 964 CA ILE A 67 4.101 -11.566 -3.051 1.00 0.00 C ATOM 965 C ILE A 67 4.865 -12.671 -3.772 1.00 0.00 C ATOM 966 O ILE A 67 6.051 -12.526 -4.074 1.00 0.00 O ATOM 967 CB ILE A 67 3.854 -11.995 -1.592 1.00 0.00 C ATOM 968 CG1 ILE A 67 3.230 -10.845 -0.798 1.00 0.00 C ATOM 969 CG2 ILE A 67 5.155 -12.447 -0.946 1.00 0.00 C ATOM 970 CD1 ILE A 67 2.534 -11.293 0.467 1.00 0.00 C ATOM 0 H ILE A 67 2.012 -11.492 -3.205 1.00 0.00 H new ATOM 0 HA ILE A 67 4.697 -10.653 -3.056 1.00 0.00 H new ATOM 0 HB ILE A 67 3.158 -12.834 -1.588 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.009 -10.128 -0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.513 -10.323 -1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.965 -12.747 0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.562 -13.292 -1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.872 -11.626 -0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.116 -10.426 0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.733 -11.987 0.215 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.251 -11.789 1.121 1.00 0.00 H new ATOM 982 N LEU A 68 4.179 -13.775 -4.046 1.00 0.00 N ATOM 983 CA LEU A 68 4.792 -14.906 -4.734 1.00 0.00 C ATOM 984 C LEU A 68 5.617 -14.435 -5.927 1.00 0.00 C ATOM 985 O LEU A 68 6.822 -14.677 -5.995 1.00 0.00 O ATOM 986 CB LEU A 68 3.716 -15.889 -5.198 1.00 0.00 C ATOM 987 CG LEU A 68 2.735 -16.367 -4.127 1.00 0.00 C ATOM 988 CD1 LEU A 68 1.695 -17.297 -4.732 1.00 0.00 C ATOM 989 CD2 LEU A 68 3.478 -17.060 -2.995 1.00 0.00 C ATOM 0 H LEU A 68 3.198 -13.911 -3.802 1.00 0.00 H new ATOM 0 HA LEU A 68 5.457 -15.410 -4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.146 -15.420 -6.001 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.210 -16.762 -5.625 1.00 0.00 H new ATOM 0 HG LEU A 68 2.221 -15.497 -3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.006 -17.627 -3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.141 -16.768 -5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.192 -18.164 -5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.764 -17.394 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.019 -17.920 -3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.184 -16.363 -2.543 1.00 0.00 H new ATOM 1001 N SER A 69 4.960 -13.760 -6.865 1.00 0.00 N ATOM 1002 CA SER A 69 5.632 -13.257 -8.057 1.00 0.00 C ATOM 1003 C SER A 69 6.970 -12.618 -7.697 1.00 0.00 C ATOM 1004 O SER A 69 7.884 -12.563 -8.518 1.00 0.00 O ATOM 1005 CB SER A 69 4.745 -12.239 -8.777 1.00 0.00 C ATOM 1006 OG SER A 69 4.982 -12.254 -10.174 1.00 0.00 O ATOM 0 H SER A 69 3.963 -13.549 -6.822 1.00 0.00 H new ATOM 0 HA SER A 69 5.819 -14.100 -8.722 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.696 -12.462 -8.580 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.938 -11.241 -8.383 1.00 0.00 H new ATOM 0 HG SER A 69 4.402 -11.596 -10.611 1.00 0.00 H new ATOM 1012 N ASN A 70 7.075 -12.136 -6.463 1.00 0.00 N ATOM 1013 CA ASN A 70 8.301 -11.500 -5.993 1.00 0.00 C ATOM 1014 C ASN A 70 8.807 -10.478 -7.007 1.00 0.00 C ATOM 1015 O ASN A 70 9.977 -10.492 -7.387 1.00 0.00 O ATOM 1016 CB ASN A 70 9.379 -12.553 -5.732 1.00 0.00 C ATOM 1017 CG ASN A 70 9.797 -13.278 -6.996 1.00 0.00 C ATOM 1018 OD1 ASN A 70 9.196 -14.283 -7.376 1.00 0.00 O ATOM 1019 ND2 ASN A 70 10.833 -12.770 -7.655 1.00 0.00 N ATOM 0 H ASN A 70 6.327 -12.173 -5.771 1.00 0.00 H new ATOM 0 HA ASN A 70 8.077 -10.981 -5.061 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.251 -12.074 -5.286 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.008 -13.277 -5.007 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.160 -13.215 -8.513 1.00 0.00 H new ATOM 0 HD22 ASN A 70 11.301 -11.935 -7.303 1.00 0.00 H new ATOM 1026 N LYS A 71 7.916 -9.592 -7.441 1.00 0.00 N ATOM 1027 CA LYS A 71 8.271 -8.562 -8.409 1.00 0.00 C ATOM 1028 C LYS A 71 8.186 -7.174 -7.782 1.00 0.00 C ATOM 1029 O LYS A 71 9.059 -6.332 -7.992 1.00 0.00 O ATOM 1030 CB LYS A 71 7.350 -8.640 -9.628 1.00 0.00 C ATOM 1031 CG LYS A 71 7.391 -9.982 -10.337 1.00 0.00 C ATOM 1032 CD LYS A 71 8.726 -10.208 -11.027 1.00 0.00 C ATOM 1033 CE LYS A 71 9.079 -11.686 -11.087 1.00 0.00 C ATOM 1034 NZ LYS A 71 10.126 -11.965 -12.108 1.00 0.00 N ATOM 0 H LYS A 71 6.943 -9.567 -7.137 1.00 0.00 H new ATOM 0 HA LYS A 71 9.299 -8.736 -8.727 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.327 -8.436 -9.313 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.628 -7.857 -10.334 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.213 -10.781 -9.617 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.588 -10.031 -11.072 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.688 -9.801 -12.037 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.508 -9.667 -10.494 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.429 -12.016 -10.109 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.184 -12.264 -11.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.339 -12.983 -12.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.783 -11.674 -13.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.989 -11.433 -11.875 1.00 0.00 H new ATOM 1048 N HIS A 72 7.129 -6.942 -7.010 1.00 0.00 N ATOM 1049 CA HIS A 72 6.931 -5.656 -6.350 1.00 0.00 C ATOM 1050 C HIS A 72 7.116 -5.785 -4.842 1.00 0.00 C ATOM 1051 O HIS A 72 7.486 -6.847 -4.340 1.00 0.00 O ATOM 1052 CB HIS A 72 5.537 -5.110 -6.660 1.00 0.00 C ATOM 1053 CG HIS A 72 5.484 -4.269 -7.898 1.00 0.00 C ATOM 1054 ND1 HIS A 72 6.444 -3.330 -8.212 1.00 0.00 N ATOM 1055 CD2 HIS A 72 4.580 -4.230 -8.904 1.00 0.00 C ATOM 1056 CE1 HIS A 72 6.132 -2.749 -9.356 1.00 0.00 C ATOM 1057 NE2 HIS A 72 5.005 -3.278 -9.798 1.00 0.00 N ATOM 0 H HIS A 72 6.396 -7.628 -6.826 1.00 0.00 H new ATOM 0 HA HIS A 72 7.679 -4.961 -6.731 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.845 -5.945 -6.768 1.00 0.00 H new ATOM 0 HB3 HIS A 72 5.192 -4.517 -5.813 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.689 -4.835 -8.988 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.701 -1.973 -9.847 1.00 0.00 H new ATOM 0 HE2 HIS A 72 4.528 -3.021 -10.662 1.00 0.00 H new ATOM 1065 N ASP A 73 6.858 -4.698 -4.124 1.00 0.00 N ATOM 1066 CA ASP A 73 6.997 -4.689 -2.672 1.00 0.00 C ATOM 1067 C ASP A 73 5.644 -4.480 -1.998 1.00 0.00 C ATOM 1068 O ASP A 73 4.654 -4.159 -2.656 1.00 0.00 O ATOM 1069 CB ASP A 73 7.971 -3.594 -2.237 1.00 0.00 C ATOM 1070 CG ASP A 73 7.891 -2.364 -3.120 1.00 0.00 C ATOM 1071 OD1 ASP A 73 6.768 -1.996 -3.524 1.00 0.00 O ATOM 1072 OD2 ASP A 73 8.951 -1.769 -3.408 1.00 0.00 O ATOM 0 H ASP A 73 6.551 -3.811 -4.524 1.00 0.00 H new ATOM 0 HA ASP A 73 7.391 -5.657 -2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.759 -3.312 -1.206 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.988 -3.987 -2.257 1.00 0.00 H new ATOM 1077 N VAL A 74 5.608 -4.667 -0.683 1.00 0.00 N ATOM 1078 CA VAL A 74 4.377 -4.499 0.080 1.00 0.00 C ATOM 1079 C VAL A 74 4.533 -3.417 1.143 1.00 0.00 C ATOM 1080 O VAL A 74 5.282 -3.581 2.106 1.00 0.00 O ATOM 1081 CB VAL A 74 3.955 -5.814 0.760 1.00 0.00 C ATOM 1082 CG1 VAL A 74 2.686 -5.611 1.575 1.00 0.00 C ATOM 1083 CG2 VAL A 74 3.762 -6.911 -0.276 1.00 0.00 C ATOM 0 H VAL A 74 6.418 -4.935 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 74 3.604 -4.200 -0.628 1.00 0.00 H new ATOM 0 HB VAL A 74 4.750 -6.122 1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.403 -6.551 2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.863 -4.857 2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.882 -5.279 0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.464 -7.834 0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.987 -6.613 -0.982 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.697 -7.074 -0.812 1.00 0.00 H new ATOM 1093 N VAL A 75 3.819 -2.310 0.963 1.00 0.00 N ATOM 1094 CA VAL A 75 3.876 -1.201 1.907 1.00 0.00 C ATOM 1095 C VAL A 75 2.638 -1.173 2.797 1.00 0.00 C ATOM 1096 O VAL A 75 1.549 -1.565 2.377 1.00 0.00 O ATOM 1097 CB VAL A 75 4.002 0.150 1.179 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.072 1.293 2.181 1.00 0.00 C ATOM 1099 CG2 VAL A 75 5.222 0.153 0.269 1.00 0.00 C ATOM 0 H VAL A 75 3.194 -2.158 0.171 1.00 0.00 H new ATOM 0 HA VAL A 75 4.761 -1.356 2.525 1.00 0.00 H new ATOM 0 HB VAL A 75 3.115 0.294 0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.161 2.239 1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.166 1.302 2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.939 1.158 2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.296 1.115 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.120 -0.014 0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.125 -0.641 -0.472 1.00 0.00 H new ATOM 1109 N LYS A 76 2.812 -0.705 4.028 1.00 0.00 N ATOM 1110 CA LYS A 76 1.710 -0.623 4.979 1.00 0.00 C ATOM 1111 C LYS A 76 0.822 0.581 4.680 1.00 0.00 C ATOM 1112 O LYS A 76 1.289 1.633 4.243 1.00 0.00 O ATOM 1113 CB LYS A 76 2.248 -0.531 6.408 1.00 0.00 C ATOM 1114 CG LYS A 76 2.495 -1.883 7.054 1.00 0.00 C ATOM 1115 CD LYS A 76 3.003 -1.737 8.478 1.00 0.00 C ATOM 1116 CE LYS A 76 2.835 -3.028 9.265 1.00 0.00 C ATOM 1117 NZ LYS A 76 3.772 -3.099 10.421 1.00 0.00 N ATOM 0 H LYS A 76 3.707 -0.376 4.391 1.00 0.00 H new ATOM 0 HA LYS A 76 1.110 -1.528 4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.180 0.034 6.401 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.540 0.030 7.018 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.571 -2.461 7.054 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.221 -2.442 6.463 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.055 -1.453 8.463 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.463 -0.932 8.977 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.809 -3.103 9.624 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.006 -3.880 8.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.050 -4.088 10.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.619 -2.531 10.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.303 -2.728 11.272 1.00 0.00 H new ATOM 1131 N PRO A 77 -0.488 0.426 4.921 1.00 0.00 N ATOM 1132 CA PRO A 77 -1.468 1.491 4.687 1.00 0.00 C ATOM 1133 C PRO A 77 -1.321 2.642 5.677 1.00 0.00 C ATOM 1134 O PRO A 77 -1.887 3.717 5.481 1.00 0.00 O ATOM 1135 CB PRO A 77 -2.812 0.786 4.882 1.00 0.00 C ATOM 1136 CG PRO A 77 -2.511 -0.361 5.784 1.00 0.00 C ATOM 1137 CD PRO A 77 -1.114 -0.800 5.443 1.00 0.00 C ATOM 0 HA PRO A 77 -1.349 1.945 3.703 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.549 1.455 5.325 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.222 0.445 3.931 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.582 -0.064 6.830 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.223 -1.173 5.634 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.587 -1.179 6.319 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.114 -1.598 4.701 1.00 0.00 H new ATOM 1145 N ALA A 78 -0.558 2.408 6.740 1.00 0.00 N ATOM 1146 CA ALA A 78 -0.336 3.427 7.759 1.00 0.00 C ATOM 1147 C ALA A 78 0.594 4.522 7.247 1.00 0.00 C ATOM 1148 O ALA A 78 0.324 5.710 7.422 1.00 0.00 O ATOM 1149 CB ALA A 78 0.234 2.795 9.020 1.00 0.00 C ATOM 0 H ALA A 78 -0.084 1.523 6.918 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.296 3.884 7.996 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.395 3.567 9.773 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.467 2.054 9.404 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.183 2.311 8.788 1.00 0.00 H new ATOM 1155 N TRP A 79 1.689 4.114 6.616 1.00 0.00 N ATOM 1156 CA TRP A 79 2.659 5.062 6.079 1.00 0.00 C ATOM 1157 C TRP A 79 1.959 6.209 5.360 1.00 0.00 C ATOM 1158 O TRP A 79 2.341 7.371 5.505 1.00 0.00 O ATOM 1159 CB TRP A 79 3.619 4.353 5.122 1.00 0.00 C ATOM 1160 CG TRP A 79 4.210 5.266 4.090 1.00 0.00 C ATOM 1161 CD1 TRP A 79 5.089 6.289 4.308 1.00 0.00 C ATOM 1162 CD2 TRP A 79 3.964 5.239 2.680 1.00 0.00 C ATOM 1163 NE1 TRP A 79 5.404 6.899 3.118 1.00 0.00 N ATOM 1164 CE2 TRP A 79 4.727 6.274 2.105 1.00 0.00 C ATOM 1165 CE3 TRP A 79 3.174 4.442 1.848 1.00 0.00 C ATOM 1166 CZ2 TRP A 79 4.721 6.530 0.736 1.00 0.00 C ATOM 1167 CZ3 TRP A 79 3.169 4.697 0.490 1.00 0.00 C ATOM 1168 CH2 TRP A 79 3.939 5.733 -0.056 1.00 0.00 C ATOM 0 H TRP A 79 1.928 3.134 6.464 1.00 0.00 H new ATOM 0 HA TRP A 79 3.227 5.474 6.913 1.00 0.00 H new ATOM 0 HB2 TRP A 79 4.425 3.897 5.698 1.00 0.00 H new ATOM 0 HB3 TRP A 79 3.089 3.544 4.620 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.479 6.576 5.274 1.00 0.00 H new ATOM 0 HE1 TRP A 79 6.039 7.689 3.007 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.578 3.641 2.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 5.312 7.329 0.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 2.561 4.087 -0.162 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.915 5.906 -1.122 1.00 0.00 H new ATOM 1179 N LEU A 80 0.933 5.877 4.584 1.00 0.00 N ATOM 1180 CA LEU A 80 0.178 6.881 3.842 1.00 0.00 C ATOM 1181 C LEU A 80 -0.396 7.936 4.782 1.00 0.00 C ATOM 1182 O LEU A 80 -0.240 9.137 4.555 1.00 0.00 O ATOM 1183 CB LEU A 80 -0.951 6.218 3.051 1.00 0.00 C ATOM 1184 CG LEU A 80 -0.519 5.264 1.937 1.00 0.00 C ATOM 1185 CD1 LEU A 80 -1.583 4.203 1.700 1.00 0.00 C ATOM 1186 CD2 LEU A 80 -0.238 6.035 0.655 1.00 0.00 C ATOM 0 H LEU A 80 0.605 4.920 4.452 1.00 0.00 H new ATOM 0 HA LEU A 80 0.860 7.372 3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.582 5.668 3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.569 7.001 2.612 1.00 0.00 H new ATOM 0 HG LEU A 80 0.399 4.765 2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.258 3.533 0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.737 3.631 2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.518 4.683 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.068 5.341 -0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.140 6.560 0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.559 6.757 0.832 1.00 0.00 H new ATOM 1198 N LEU A 81 -1.058 7.481 5.840 1.00 0.00 N ATOM 1199 CA LEU A 81 -1.654 8.385 6.817 1.00 0.00 C ATOM 1200 C LEU A 81 -0.694 9.518 7.167 1.00 0.00 C ATOM 1201 O LEU A 81 -1.067 10.690 7.140 1.00 0.00 O ATOM 1202 CB LEU A 81 -2.038 7.618 8.084 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.253 6.697 7.967 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.368 5.807 9.196 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -4.524 7.512 7.776 1.00 0.00 C ATOM 0 H LEU A 81 -1.196 6.491 6.043 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.552 8.817 6.375 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.182 7.020 8.396 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.229 8.340 8.878 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.119 6.060 7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.238 5.158 9.095 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.469 5.197 9.289 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.479 6.427 10.085 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.378 6.840 7.695 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.663 8.174 8.630 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.442 8.106 6.866 1.00 0.00 H new ATOM 1217 N GLU A 82 0.544 9.159 7.492 1.00 0.00 N ATOM 1218 CA GLU A 82 1.557 10.146 7.845 1.00 0.00 C ATOM 1219 C GLU A 82 1.548 11.311 6.860 1.00 0.00 C ATOM 1220 O GLU A 82 1.802 12.457 7.235 1.00 0.00 O ATOM 1221 CB GLU A 82 2.943 9.499 7.874 1.00 0.00 C ATOM 1222 CG GLU A 82 3.188 8.637 9.102 1.00 0.00 C ATOM 1223 CD GLU A 82 4.651 8.582 9.494 1.00 0.00 C ATOM 1224 OE1 GLU A 82 5.492 8.301 8.614 1.00 0.00 O ATOM 1225 OE2 GLU A 82 4.956 8.821 10.682 1.00 0.00 O ATOM 0 H GLU A 82 0.869 8.193 7.518 1.00 0.00 H new ATOM 0 HA GLU A 82 1.323 10.530 8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.068 8.887 6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.701 10.281 7.833 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.607 9.027 9.937 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.829 7.626 8.909 1.00 0.00 H new ATOM 1232 N CYS A 83 1.255 11.010 5.600 1.00 0.00 N ATOM 1233 CA CYS A 83 1.214 12.032 4.560 1.00 0.00 C ATOM 1234 C CYS A 83 -0.131 12.750 4.556 1.00 0.00 C ATOM 1235 O CYS A 83 -0.212 13.939 4.245 1.00 0.00 O ATOM 1236 CB CYS A 83 1.475 11.405 3.189 1.00 0.00 C ATOM 1237 SG CYS A 83 2.841 10.220 3.168 1.00 0.00 S ATOM 0 H CYS A 83 1.042 10.067 5.274 1.00 0.00 H new ATOM 0 HA CYS A 83 1.995 12.762 4.772 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.568 10.904 2.852 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.686 12.199 2.472 1.00 0.00 H new ATOM 0 HG CYS A 83 2.888 9.632 2.009 1.00 0.00 H new ATOM 1243 N PHE A 84 -1.187 12.021 4.901 1.00 0.00 N ATOM 1244 CA PHE A 84 -2.530 12.587 4.935 1.00 0.00 C ATOM 1245 C PHE A 84 -2.700 13.512 6.136 1.00 0.00 C ATOM 1246 O PHE A 84 -3.555 14.398 6.137 1.00 0.00 O ATOM 1247 CB PHE A 84 -3.576 11.472 4.984 1.00 0.00 C ATOM 1248 CG PHE A 84 -3.524 10.549 3.801 1.00 0.00 C ATOM 1249 CD1 PHE A 84 -3.266 11.042 2.532 1.00 0.00 C ATOM 1250 CD2 PHE A 84 -3.733 9.188 3.957 1.00 0.00 C ATOM 1251 CE1 PHE A 84 -3.219 10.195 1.441 1.00 0.00 C ATOM 1252 CE2 PHE A 84 -3.686 8.336 2.869 1.00 0.00 C ATOM 1253 CZ PHE A 84 -3.428 8.840 1.610 1.00 0.00 C ATOM 0 H PHE A 84 -1.138 11.036 5.161 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.674 13.171 4.026 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.433 10.891 5.895 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.569 11.918 5.043 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.100 12.100 2.394 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.935 8.788 4.940 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.019 10.592 0.457 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.851 7.277 3.004 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.390 8.176 0.759 1.00 0.00 H new ATOM 1263 N LYS A 85 -1.880 13.300 7.160 1.00 0.00 N ATOM 1264 CA LYS A 85 -1.937 14.114 8.369 1.00 0.00 C ATOM 1265 C LYS A 85 -0.999 15.311 8.263 1.00 0.00 C ATOM 1266 O LYS A 85 -1.344 16.422 8.669 1.00 0.00 O ATOM 1267 CB LYS A 85 -1.570 13.271 9.593 1.00 0.00 C ATOM 1268 CG LYS A 85 -1.570 14.056 10.893 1.00 0.00 C ATOM 1269 CD LYS A 85 -1.690 13.139 12.098 1.00 0.00 C ATOM 1270 CE LYS A 85 -1.863 13.930 13.386 1.00 0.00 C ATOM 1271 NZ LYS A 85 -1.288 13.214 14.558 1.00 0.00 N ATOM 0 H LYS A 85 -1.167 12.571 7.177 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.956 14.483 8.482 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.274 12.443 9.678 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.582 12.835 9.441 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.651 14.638 10.968 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.398 14.765 10.891 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.540 12.470 11.964 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.800 12.514 12.171 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.381 14.902 13.282 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.923 14.116 13.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.426 13.785 15.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.765 12.297 14.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.271 13.059 14.405 1.00 0.00 H new ATOM 1285 N THR A 86 0.190 15.080 7.713 1.00 0.00 N ATOM 1286 CA THR A 86 1.177 16.140 7.554 1.00 0.00 C ATOM 1287 C THR A 86 1.068 16.790 6.180 1.00 0.00 C ATOM 1288 O THR A 86 1.623 17.864 5.944 1.00 0.00 O ATOM 1289 CB THR A 86 2.610 15.606 7.745 1.00 0.00 C ATOM 1290 OG1 THR A 86 2.975 14.776 6.636 1.00 0.00 O ATOM 1291 CG2 THR A 86 2.724 14.813 9.038 1.00 0.00 C ATOM 0 H THR A 86 0.492 14.168 7.370 1.00 0.00 H new ATOM 0 HA THR A 86 0.969 16.884 8.323 1.00 0.00 H new ATOM 0 HB THR A 86 3.288 16.458 7.799 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.744 13.844 6.835 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.744 14.446 9.151 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.474 15.456 9.882 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.036 13.968 9.009 1.00 0.00 H new ATOM 1299 N LYS A 87 0.350 16.134 5.275 1.00 0.00 N ATOM 1300 CA LYS A 87 0.166 16.649 3.923 1.00 0.00 C ATOM 1301 C LYS A 87 1.506 16.789 3.207 1.00 0.00 C ATOM 1302 O LYS A 87 1.726 17.745 2.464 1.00 0.00 O ATOM 1303 CB LYS A 87 -0.546 18.003 3.964 1.00 0.00 C ATOM 1304 CG LYS A 87 -1.917 17.950 4.616 1.00 0.00 C ATOM 1305 CD LYS A 87 -1.826 18.143 6.121 1.00 0.00 C ATOM 1306 CE LYS A 87 -3.205 18.229 6.756 1.00 0.00 C ATOM 1307 NZ LYS A 87 -3.705 19.630 6.811 1.00 0.00 N ATOM 0 H LYS A 87 -0.115 15.244 5.453 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.449 15.938 3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.077 18.715 4.505 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.651 18.380 2.947 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.555 18.723 4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.387 16.991 4.399 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.272 17.314 6.562 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.266 19.053 6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.905 17.616 6.188 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.166 17.818 7.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.647 19.645 7.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.051 20.210 7.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.766 20.015 5.847 1.00 0.00 H new ATOM 1321 N SER A 88 2.396 15.829 3.435 1.00 0.00 N ATOM 1322 CA SER A 88 3.715 15.846 2.812 1.00 0.00 C ATOM 1323 C SER A 88 4.153 14.436 2.429 1.00 0.00 C ATOM 1324 O SER A 88 3.724 13.454 3.035 1.00 0.00 O ATOM 1325 CB SER A 88 4.740 16.472 3.760 1.00 0.00 C ATOM 1326 OG SER A 88 4.320 17.754 4.191 1.00 0.00 O ATOM 0 H SER A 88 2.228 15.030 4.046 1.00 0.00 H new ATOM 0 HA SER A 88 3.655 16.447 1.905 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.884 15.824 4.624 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.704 16.552 3.257 1.00 0.00 H new ATOM 0 HG SER A 88 3.540 17.663 4.777 1.00 0.00 H new ATOM 1332 N PHE A 89 5.012 14.344 1.419 1.00 0.00 N ATOM 1333 CA PHE A 89 5.509 13.055 0.952 1.00 0.00 C ATOM 1334 C PHE A 89 6.480 12.450 1.961 1.00 0.00 C ATOM 1335 O PHE A 89 7.633 12.870 2.060 1.00 0.00 O ATOM 1336 CB PHE A 89 6.197 13.211 -0.405 1.00 0.00 C ATOM 1337 CG PHE A 89 6.299 11.926 -1.176 1.00 0.00 C ATOM 1338 CD1 PHE A 89 7.295 11.007 -0.889 1.00 0.00 C ATOM 1339 CD2 PHE A 89 5.399 11.638 -2.190 1.00 0.00 C ATOM 1340 CE1 PHE A 89 7.391 9.824 -1.596 1.00 0.00 C ATOM 1341 CE2 PHE A 89 5.490 10.456 -2.900 1.00 0.00 C ATOM 1342 CZ PHE A 89 6.488 9.548 -2.604 1.00 0.00 C ATOM 0 H PHE A 89 5.378 15.147 0.908 1.00 0.00 H new ATOM 0 HA PHE A 89 4.658 12.382 0.844 1.00 0.00 H new ATOM 0 HB2 PHE A 89 5.647 13.940 -1.000 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.198 13.614 -0.252 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.005 11.218 -0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.618 12.345 -2.428 1.00 0.00 H new ATOM 0 HE1 PHE A 89 8.171 9.116 -1.361 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.781 10.242 -3.686 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.562 8.625 -3.159 1.00 0.00 H new ATOM 1352 N VAL A 90 6.005 11.459 2.710 1.00 0.00 N ATOM 1353 CA VAL A 90 6.830 10.795 3.712 1.00 0.00 C ATOM 1354 C VAL A 90 7.648 9.668 3.090 1.00 0.00 C ATOM 1355 O VAL A 90 7.153 8.879 2.285 1.00 0.00 O ATOM 1356 CB VAL A 90 5.972 10.220 4.855 1.00 0.00 C ATOM 1357 CG1 VAL A 90 6.842 9.466 5.848 1.00 0.00 C ATOM 1358 CG2 VAL A 90 5.197 11.331 5.548 1.00 0.00 C ATOM 0 H VAL A 90 5.053 11.099 2.641 1.00 0.00 H new ATOM 0 HA VAL A 90 7.504 11.550 4.118 1.00 0.00 H new ATOM 0 HB VAL A 90 5.255 9.517 4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.219 9.067 6.648 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.348 8.646 5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.584 10.144 6.270 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.596 10.908 6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.895 12.059 5.961 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.544 11.823 4.827 1.00 0.00 H new ATOM 1368 N PRO A 91 8.932 9.589 3.472 1.00 0.00 N ATOM 1369 CA PRO A 91 9.846 8.562 2.965 1.00 0.00 C ATOM 1370 C PRO A 91 9.503 7.171 3.487 1.00 0.00 C ATOM 1371 O PRO A 91 8.761 7.029 4.459 1.00 0.00 O ATOM 1372 CB PRO A 91 11.211 9.010 3.493 1.00 0.00 C ATOM 1373 CG PRO A 91 10.901 9.817 4.707 1.00 0.00 C ATOM 1374 CD PRO A 91 9.588 10.496 4.428 1.00 0.00 C ATOM 0 HA PRO A 91 9.801 8.477 1.879 1.00 0.00 H new ATOM 0 HB2 PRO A 91 11.842 8.155 3.736 1.00 0.00 H new ATOM 0 HB3 PRO A 91 11.748 9.601 2.751 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.832 9.182 5.591 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.686 10.549 4.900 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.998 10.618 5.336 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.732 11.490 4.005 1.00 0.00 H new ATOM 1382 N TRP A 92 10.048 6.149 2.838 1.00 0.00 N ATOM 1383 CA TRP A 92 9.800 4.769 3.238 1.00 0.00 C ATOM 1384 C TRP A 92 10.554 4.430 4.519 1.00 0.00 C ATOM 1385 O TRP A 92 11.666 4.909 4.740 1.00 0.00 O ATOM 1386 CB TRP A 92 10.211 3.810 2.120 1.00 0.00 C ATOM 1387 CG TRP A 92 9.122 3.558 1.122 1.00 0.00 C ATOM 1388 CD1 TRP A 92 7.915 4.193 1.049 1.00 0.00 C ATOM 1389 CD2 TRP A 92 9.139 2.601 0.057 1.00 0.00 C ATOM 1390 NE1 TRP A 92 7.181 3.688 0.003 1.00 0.00 N ATOM 1391 CE2 TRP A 92 7.910 2.711 -0.622 1.00 0.00 C ATOM 1392 CE3 TRP A 92 10.074 1.663 -0.390 1.00 0.00 C ATOM 1393 CZ2 TRP A 92 7.594 1.918 -1.722 1.00 0.00 C ATOM 1394 CZ3 TRP A 92 9.759 0.877 -1.481 1.00 0.00 C ATOM 1395 CH2 TRP A 92 8.528 1.008 -2.138 1.00 0.00 C ATOM 0 H TRP A 92 10.665 6.250 2.032 1.00 0.00 H new ATOM 0 HA TRP A 92 8.732 4.658 3.427 1.00 0.00 H new ATOM 0 HB2 TRP A 92 11.080 4.217 1.603 1.00 0.00 H new ATOM 0 HB3 TRP A 92 10.517 2.861 2.560 1.00 0.00 H new ATOM 0 HD1 TRP A 92 7.586 4.977 1.715 1.00 0.00 H new ATOM 0 HE1 TRP A 92 6.245 3.991 -0.265 1.00 0.00 H new ATOM 0 HE3 TRP A 92 11.026 1.555 0.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 6.646 2.017 -2.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 10.474 0.149 -1.834 1.00 0.00 H new ATOM 0 HH2 TRP A 92 8.312 0.379 -2.989 1.00 0.00 H new ATOM 1406 N GLN A 93 9.941 3.601 5.359 1.00 0.00 N ATOM 1407 CA GLN A 93 10.556 3.199 6.618 1.00 0.00 C ATOM 1408 C GLN A 93 10.593 1.680 6.746 1.00 0.00 C ATOM 1409 O GLN A 93 9.790 0.963 6.148 1.00 0.00 O ATOM 1410 CB GLN A 93 9.794 3.803 7.799 1.00 0.00 C ATOM 1411 CG GLN A 93 9.917 5.316 7.893 1.00 0.00 C ATOM 1412 CD GLN A 93 11.343 5.797 7.709 1.00 0.00 C ATOM 1413 OE1 GLN A 93 12.296 5.105 8.068 1.00 0.00 O ATOM 1414 NE2 GLN A 93 11.497 6.990 7.146 1.00 0.00 N ATOM 0 H GLN A 93 9.020 3.196 5.190 1.00 0.00 H new ATOM 0 HA GLN A 93 11.580 3.571 6.627 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.740 3.537 7.715 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.162 3.359 8.724 1.00 0.00 H new ATOM 0 HG2 GLN A 93 9.282 5.776 7.136 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.548 5.647 8.864 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.679 7.530 6.864 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.433 7.366 6.996 1.00 0.00 H new ATOM 1423 N PRO A 94 11.547 1.175 7.542 1.00 0.00 N ATOM 1424 CA PRO A 94 11.711 -0.264 7.767 1.00 0.00 C ATOM 1425 C PRO A 94 10.572 -0.856 8.590 1.00 0.00 C ATOM 1426 O PRO A 94 10.447 -2.075 8.708 1.00 0.00 O ATOM 1427 CB PRO A 94 13.031 -0.355 8.536 1.00 0.00 C ATOM 1428 CG PRO A 94 13.168 0.966 9.211 1.00 0.00 C ATOM 1429 CD PRO A 94 12.538 1.971 8.286 1.00 0.00 C ATOM 0 HA PRO A 94 11.707 -0.825 6.833 1.00 0.00 H new ATOM 0 HB2 PRO A 94 13.012 -1.169 9.260 1.00 0.00 H new ATOM 0 HB3 PRO A 94 13.868 -0.545 7.864 1.00 0.00 H new ATOM 0 HG2 PRO A 94 12.670 0.962 10.181 1.00 0.00 H new ATOM 0 HG3 PRO A 94 14.216 1.205 9.392 1.00 0.00 H new ATOM 0 HD2 PRO A 94 12.067 2.785 8.837 1.00 0.00 H new ATOM 0 HD3 PRO A 94 13.274 2.421 7.620 1.00 0.00 H new ATOM 1437 N ARG A 95 9.744 0.015 9.158 1.00 0.00 N ATOM 1438 CA ARG A 95 8.616 -0.423 9.971 1.00 0.00 C ATOM 1439 C ARG A 95 7.333 -0.459 9.147 1.00 0.00 C ATOM 1440 O ARG A 95 6.391 -1.180 9.476 1.00 0.00 O ATOM 1441 CB ARG A 95 8.436 0.506 11.174 1.00 0.00 C ATOM 1442 CG ARG A 95 8.023 1.919 10.795 1.00 0.00 C ATOM 1443 CD ARG A 95 8.139 2.869 11.977 1.00 0.00 C ATOM 1444 NE ARG A 95 9.531 3.127 12.336 1.00 0.00 N ATOM 1445 CZ ARG A 95 9.900 3.734 13.459 1.00 0.00 C ATOM 1446 NH1 ARG A 95 8.985 4.141 14.328 1.00 0.00 N ATOM 1447 NH2 ARG A 95 11.186 3.933 13.715 1.00 0.00 N ATOM 0 H ARG A 95 9.833 1.027 9.070 1.00 0.00 H new ATOM 0 HA ARG A 95 8.827 -1.431 10.327 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.684 0.083 11.840 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.370 0.547 11.734 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.650 2.275 9.977 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.996 1.914 10.430 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.646 3.811 11.735 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.616 2.446 12.835 1.00 0.00 H new ATOM 0 HE ARG A 95 10.260 2.825 11.689 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.995 3.988 14.135 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.271 4.607 15.189 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.893 3.620 13.050 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.468 4.399 14.577 1.00 0.00 H new ATOM 1461 N PHE A 96 7.303 0.325 8.074 1.00 0.00 N ATOM 1462 CA PHE A 96 6.135 0.384 7.202 1.00 0.00 C ATOM 1463 C PHE A 96 6.153 -0.758 6.190 1.00 0.00 C ATOM 1464 O PHE A 96 5.134 -1.404 5.949 1.00 0.00 O ATOM 1465 CB PHE A 96 6.085 1.727 6.472 1.00 0.00 C ATOM 1466 CG PHE A 96 5.793 2.890 7.376 1.00 0.00 C ATOM 1467 CD1 PHE A 96 4.808 2.800 8.346 1.00 0.00 C ATOM 1468 CD2 PHE A 96 6.502 4.074 7.254 1.00 0.00 C ATOM 1469 CE1 PHE A 96 4.537 3.869 9.180 1.00 0.00 C ATOM 1470 CE2 PHE A 96 6.236 5.146 8.085 1.00 0.00 C ATOM 1471 CZ PHE A 96 5.251 5.044 9.049 1.00 0.00 C ATOM 0 H PHE A 96 8.074 0.928 7.787 1.00 0.00 H new ATOM 0 HA PHE A 96 5.244 0.282 7.822 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.039 1.896 5.973 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.322 1.681 5.695 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.245 1.884 8.452 1.00 0.00 H new ATOM 0 HD2 PHE A 96 7.271 4.160 6.501 1.00 0.00 H new ATOM 0 HE1 PHE A 96 3.768 3.785 9.933 1.00 0.00 H new ATOM 0 HE2 PHE A 96 6.798 6.063 7.981 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.040 5.881 9.698 1.00 0.00 H new ATOM 1481 N MET A 97 7.320 -1.000 5.601 1.00 0.00 N ATOM 1482 CA MET A 97 7.472 -2.064 4.615 1.00 0.00 C ATOM 1483 C MET A 97 7.234 -3.430 5.249 1.00 0.00 C ATOM 1484 O MET A 97 7.638 -3.676 6.386 1.00 0.00 O ATOM 1485 CB MET A 97 8.867 -2.014 3.990 1.00 0.00 C ATOM 1486 CG MET A 97 9.244 -0.643 3.453 1.00 0.00 C ATOM 1487 SD MET A 97 8.446 -0.270 1.879 1.00 0.00 S ATOM 1488 CE MET A 97 9.127 -1.560 0.840 1.00 0.00 C ATOM 0 H MET A 97 8.173 -0.474 5.789 1.00 0.00 H new ATOM 0 HA MET A 97 6.727 -1.911 3.834 1.00 0.00 H new ATOM 0 HB2 MET A 97 9.601 -2.317 4.736 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.919 -2.740 3.178 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.970 0.117 4.184 1.00 0.00 H new ATOM 0 HG3 MET A 97 10.326 -0.590 3.329 1.00 0.00 H new ATOM 0 HE1 MET A 97 8.700 -1.485 -0.160 1.00 0.00 H new ATOM 0 HE2 MET A 97 10.210 -1.447 0.782 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.886 -2.534 1.265 1.00 0.00 H new ATOM 1498 N ILE A 98 6.577 -4.316 4.507 1.00 0.00 N ATOM 1499 CA ILE A 98 6.287 -5.657 4.998 1.00 0.00 C ATOM 1500 C ILE A 98 7.066 -6.709 4.215 1.00 0.00 C ATOM 1501 O ILE A 98 7.548 -7.690 4.782 1.00 0.00 O ATOM 1502 CB ILE A 98 4.783 -5.976 4.909 1.00 0.00 C ATOM 1503 CG1 ILE A 98 3.980 -4.993 5.764 1.00 0.00 C ATOM 1504 CG2 ILE A 98 4.519 -7.408 5.350 1.00 0.00 C ATOM 1505 CD1 ILE A 98 2.556 -4.805 5.290 1.00 0.00 C ATOM 0 H ILE A 98 6.236 -4.129 3.564 1.00 0.00 H new ATOM 0 HA ILE A 98 6.594 -5.684 6.043 1.00 0.00 H new ATOM 0 HB ILE A 98 4.464 -5.871 3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.968 -5.346 6.795 1.00 0.00 H new ATOM 0 HG13 ILE A 98 4.485 -4.027 5.764 1.00 0.00 H new ATOM 0 HG21 ILE A 98 3.452 -7.619 5.282 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.067 -8.094 4.704 1.00 0.00 H new ATOM 0 HG23 ILE A 98 4.849 -7.538 6.381 1.00 0.00 H new ATOM 0 HD11 ILE A 98 2.046 -4.096 5.942 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.560 -4.422 4.270 1.00 0.00 H new ATOM 0 HD13 ILE A 98 2.034 -5.762 5.316 1.00 0.00 H new ATOM 1517 N HIS A 99 7.186 -6.497 2.908 1.00 0.00 N ATOM 1518 CA HIS A 99 7.909 -7.426 2.046 1.00 0.00 C ATOM 1519 C HIS A 99 8.695 -6.675 0.977 1.00 0.00 C ATOM 1520 O HIS A 99 8.122 -5.943 0.170 1.00 0.00 O ATOM 1521 CB HIS A 99 6.936 -8.405 1.388 1.00 0.00 C ATOM 1522 CG HIS A 99 7.556 -9.221 0.296 1.00 0.00 C ATOM 1523 ND1 HIS A 99 8.175 -10.433 0.520 1.00 0.00 N ATOM 1524 CD2 HIS A 99 7.649 -8.994 -1.036 1.00 0.00 C ATOM 1525 CE1 HIS A 99 8.623 -10.915 -0.625 1.00 0.00 C ATOM 1526 NE2 HIS A 99 8.316 -10.061 -1.585 1.00 0.00 N ATOM 0 H HIS A 99 6.792 -5.691 2.423 1.00 0.00 H new ATOM 0 HA HIS A 99 8.613 -7.984 2.663 1.00 0.00 H new ATOM 0 HB2 HIS A 99 6.537 -9.075 2.149 1.00 0.00 H new ATOM 0 HB3 HIS A 99 6.093 -7.848 0.980 1.00 0.00 H new ATOM 0 HD2 HIS A 99 7.269 -8.134 -1.567 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.151 -11.848 -0.754 1.00 0.00 H new ATOM 0 HE2 HIS A 99 8.538 -10.176 -2.574 1.00 0.00 H new ATOM 1534 N MET A 100 10.011 -6.860 0.977 1.00 0.00 N ATOM 1535 CA MET A 100 10.876 -6.199 0.006 1.00 0.00 C ATOM 1536 C MET A 100 11.612 -7.224 -0.852 1.00 0.00 C ATOM 1537 O MET A 100 12.324 -8.085 -0.333 1.00 0.00 O ATOM 1538 CB MET A 100 11.884 -5.296 0.720 1.00 0.00 C ATOM 1539 CG MET A 100 11.387 -3.875 0.927 1.00 0.00 C ATOM 1540 SD MET A 100 12.726 -2.709 1.239 1.00 0.00 S ATOM 1541 CE MET A 100 12.794 -2.742 3.029 1.00 0.00 C ATOM 0 H MET A 100 10.502 -7.462 1.638 1.00 0.00 H new ATOM 0 HA MET A 100 10.250 -5.588 -0.645 1.00 0.00 H new ATOM 0 HB2 MET A 100 12.127 -5.732 1.689 1.00 0.00 H new ATOM 0 HB3 MET A 100 12.808 -5.268 0.142 1.00 0.00 H new ATOM 0 HG2 MET A 100 10.831 -3.557 0.045 1.00 0.00 H new ATOM 0 HG3 MET A 100 10.691 -3.856 1.766 1.00 0.00 H new ATOM 0 HE1 MET A 100 12.569 -1.750 3.420 1.00 0.00 H new ATOM 0 HE2 MET A 100 12.062 -3.456 3.408 1.00 0.00 H new ATOM 0 HE3 MET A 100 13.792 -3.041 3.350 1.00 0.00 H new ATOM 1551 N CYS A 101 11.435 -7.125 -2.164 1.00 0.00 N ATOM 1552 CA CYS A 101 12.082 -8.044 -3.094 1.00 0.00 C ATOM 1553 C CYS A 101 13.569 -8.177 -2.782 1.00 0.00 C ATOM 1554 O CYS A 101 14.166 -7.330 -2.117 1.00 0.00 O ATOM 1555 CB CYS A 101 11.891 -7.564 -4.534 1.00 0.00 C ATOM 1556 SG CYS A 101 10.396 -8.195 -5.331 1.00 0.00 S ATOM 0 H CYS A 101 10.849 -6.418 -2.608 1.00 0.00 H new ATOM 0 HA CYS A 101 11.617 -9.023 -2.981 1.00 0.00 H new ATOM 0 HB2 CYS A 101 11.861 -6.474 -4.541 1.00 0.00 H new ATOM 0 HB3 CYS A 101 12.758 -7.863 -5.123 1.00 0.00 H new ATOM 0 HG CYS A 101 10.724 -9.055 -6.249 1.00 0.00 H new ATOM 1562 N PRO A 102 14.181 -9.266 -3.270 1.00 0.00 N ATOM 1563 CA PRO A 102 15.606 -9.536 -3.055 1.00 0.00 C ATOM 1564 C PRO A 102 16.502 -8.568 -3.821 1.00 0.00 C ATOM 1565 O PRO A 102 17.719 -8.559 -3.640 1.00 0.00 O ATOM 1566 CB PRO A 102 15.781 -10.961 -3.586 1.00 0.00 C ATOM 1567 CG PRO A 102 14.686 -11.130 -4.583 1.00 0.00 C ATOM 1568 CD PRO A 102 13.530 -10.316 -4.071 1.00 0.00 C ATOM 0 HA PRO A 102 15.890 -9.418 -2.009 1.00 0.00 H new ATOM 0 HB2 PRO A 102 16.760 -11.095 -4.046 1.00 0.00 H new ATOM 0 HB3 PRO A 102 15.703 -11.695 -2.784 1.00 0.00 H new ATOM 0 HG2 PRO A 102 14.999 -10.786 -5.569 1.00 0.00 H new ATOM 0 HG3 PRO A 102 14.410 -12.179 -4.685 1.00 0.00 H new ATOM 0 HD2 PRO A 102 12.943 -9.894 -4.887 1.00 0.00 H new ATOM 0 HD3 PRO A 102 12.850 -10.918 -3.468 1.00 0.00 H new ATOM 1576 N SER A 103 15.891 -7.754 -4.676 1.00 0.00 N ATOM 1577 CA SER A 103 16.634 -6.784 -5.471 1.00 0.00 C ATOM 1578 C SER A 103 16.656 -5.422 -4.785 1.00 0.00 C ATOM 1579 O SER A 103 17.605 -4.651 -4.937 1.00 0.00 O ATOM 1580 CB SER A 103 16.017 -6.656 -6.865 1.00 0.00 C ATOM 1581 OG SER A 103 14.657 -6.264 -6.787 1.00 0.00 O ATOM 0 H SER A 103 14.884 -7.747 -4.836 1.00 0.00 H new ATOM 0 HA SER A 103 17.660 -7.139 -5.567 1.00 0.00 H new ATOM 0 HB2 SER A 103 16.577 -5.925 -7.448 1.00 0.00 H new ATOM 0 HB3 SER A 103 16.095 -7.608 -7.389 1.00 0.00 H new ATOM 0 HG SER A 103 14.286 -6.188 -7.691 1.00 0.00 H new ATOM 1587 N THR A 104 15.603 -5.130 -4.029 1.00 0.00 N ATOM 1588 CA THR A 104 15.499 -3.861 -3.320 1.00 0.00 C ATOM 1589 C THR A 104 16.082 -3.966 -1.915 1.00 0.00 C ATOM 1590 O THR A 104 16.751 -3.049 -1.438 1.00 0.00 O ATOM 1591 CB THR A 104 14.036 -3.390 -3.222 1.00 0.00 C ATOM 1592 OG1 THR A 104 13.529 -3.091 -4.528 1.00 0.00 O ATOM 1593 CG2 THR A 104 13.921 -2.159 -2.335 1.00 0.00 C ATOM 0 H THR A 104 14.809 -5.756 -3.892 1.00 0.00 H new ATOM 0 HA THR A 104 16.070 -3.131 -3.894 1.00 0.00 H new ATOM 0 HB THR A 104 13.448 -4.194 -2.779 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.598 -2.794 -4.457 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.878 -1.845 -2.281 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.280 -2.397 -1.334 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.522 -1.352 -2.754 1.00 0.00 H new ATOM 1601 N LYS A 105 15.824 -5.091 -1.256 1.00 0.00 N ATOM 1602 CA LYS A 105 16.324 -5.318 0.095 1.00 0.00 C ATOM 1603 C LYS A 105 17.759 -4.820 0.235 1.00 0.00 C ATOM 1604 O LYS A 105 18.093 -4.127 1.194 1.00 0.00 O ATOM 1605 CB LYS A 105 16.254 -6.807 0.443 1.00 0.00 C ATOM 1606 CG LYS A 105 16.062 -7.077 1.925 1.00 0.00 C ATOM 1607 CD LYS A 105 16.085 -8.566 2.228 1.00 0.00 C ATOM 1608 CE LYS A 105 16.220 -8.828 3.720 1.00 0.00 C ATOM 1609 NZ LYS A 105 14.957 -8.532 4.452 1.00 0.00 N ATOM 0 H LYS A 105 15.271 -5.860 -1.636 1.00 0.00 H new ATOM 0 HA LYS A 105 15.695 -4.759 0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 105 15.433 -7.263 -0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 105 17.171 -7.293 0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 105 16.848 -6.577 2.492 1.00 0.00 H new ATOM 0 HG3 LYS A 105 15.113 -6.653 2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 105 15.170 -9.028 1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 105 16.915 -9.034 1.699 1.00 0.00 H new ATOM 0 HE2 LYS A 105 16.498 -9.869 3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 105 17.026 -8.216 4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 15.090 -8.723 5.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 14.705 -7.532 4.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 14.193 -9.134 4.084 1.00 0.00 H new ATOM 1623 N GLU A 106 18.601 -5.177 -0.730 1.00 0.00 N ATOM 1624 CA GLU A 106 20.000 -4.765 -0.713 1.00 0.00 C ATOM 1625 C GLU A 106 20.122 -3.268 -0.445 1.00 0.00 C ATOM 1626 O GLU A 106 20.940 -2.836 0.369 1.00 0.00 O ATOM 1627 CB GLU A 106 20.674 -5.113 -2.042 1.00 0.00 C ATOM 1628 CG GLU A 106 20.828 -6.606 -2.273 1.00 0.00 C ATOM 1629 CD GLU A 106 22.132 -7.150 -1.722 1.00 0.00 C ATOM 1630 OE1 GLU A 106 22.497 -6.777 -0.587 1.00 0.00 O ATOM 1631 OE2 GLU A 106 22.786 -7.949 -2.424 1.00 0.00 O ATOM 0 H GLU A 106 18.339 -5.750 -1.532 1.00 0.00 H new ATOM 0 HA GLU A 106 20.501 -5.303 0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 106 20.091 -4.686 -2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 106 21.658 -4.645 -2.074 1.00 0.00 H new ATOM 0 HG2 GLU A 106 19.994 -7.130 -1.806 1.00 0.00 H new ATOM 0 HG3 GLU A 106 20.776 -6.812 -3.342 1.00 0.00 H new ATOM 1638 N HIS A 107 19.304 -2.480 -1.135 1.00 0.00 N ATOM 1639 CA HIS A 107 19.320 -1.030 -0.972 1.00 0.00 C ATOM 1640 C HIS A 107 19.160 -0.647 0.496 1.00 0.00 C ATOM 1641 O HIS A 107 19.801 0.287 0.978 1.00 0.00 O ATOM 1642 CB HIS A 107 18.206 -0.390 -1.802 1.00 0.00 C ATOM 1643 CG HIS A 107 18.038 1.076 -1.548 1.00 0.00 C ATOM 1644 ND1 HIS A 107 18.906 2.029 -2.037 1.00 0.00 N ATOM 1645 CD2 HIS A 107 17.092 1.752 -0.854 1.00 0.00 C ATOM 1646 CE1 HIS A 107 18.504 3.227 -1.653 1.00 0.00 C ATOM 1647 NE2 HIS A 107 17.404 3.086 -0.934 1.00 0.00 N ATOM 0 H HIS A 107 18.622 -2.821 -1.812 1.00 0.00 H new ATOM 0 HA HIS A 107 20.283 -0.660 -1.323 1.00 0.00 H new ATOM 0 HB2 HIS A 107 18.417 -0.545 -2.860 1.00 0.00 H new ATOM 0 HB3 HIS A 107 17.266 -0.898 -1.587 1.00 0.00 H new ATOM 0 HD2 HIS A 107 16.249 1.321 -0.334 1.00 0.00 H new ATOM 0 HE1 HIS A 107 18.991 4.162 -1.887 1.00 0.00 H new ATOM 0 HE2 HIS A 107 16.873 3.845 -0.508 1.00 0.00 H new ATOM 1655 N PHE A 108 18.301 -1.374 1.203 1.00 0.00 N ATOM 1656 CA PHE A 108 18.056 -1.109 2.616 1.00 0.00 C ATOM 1657 C PHE A 108 19.175 -1.684 3.479 1.00 0.00 C ATOM 1658 O PHE A 108 19.804 -0.967 4.256 1.00 0.00 O ATOM 1659 CB PHE A 108 16.711 -1.702 3.042 1.00 0.00 C ATOM 1660 CG PHE A 108 15.553 -0.767 2.843 1.00 0.00 C ATOM 1661 CD1 PHE A 108 14.996 -0.591 1.586 1.00 0.00 C ATOM 1662 CD2 PHE A 108 15.021 -0.064 3.912 1.00 0.00 C ATOM 1663 CE1 PHE A 108 13.931 0.270 1.400 1.00 0.00 C ATOM 1664 CE2 PHE A 108 13.956 0.798 3.732 1.00 0.00 C ATOM 1665 CZ PHE A 108 13.409 0.964 2.474 1.00 0.00 C ATOM 0 H PHE A 108 17.763 -2.151 0.820 1.00 0.00 H new ATOM 0 HA PHE A 108 18.030 -0.029 2.759 1.00 0.00 H new ATOM 0 HB2 PHE A 108 16.531 -2.616 2.476 1.00 0.00 H new ATOM 0 HB3 PHE A 108 16.764 -1.983 4.094 1.00 0.00 H new ATOM 0 HD1 PHE A 108 15.399 -1.133 0.743 1.00 0.00 H new ATOM 0 HD2 PHE A 108 15.444 -0.191 4.898 1.00 0.00 H new ATOM 0 HE1 PHE A 108 13.507 0.400 0.415 1.00 0.00 H new ATOM 0 HE2 PHE A 108 13.552 1.341 4.573 1.00 0.00 H new ATOM 0 HZ PHE A 108 12.575 1.635 2.331 1.00 0.00 H new ATOM 1675 N ALA A 109 19.416 -2.983 3.337 1.00 0.00 N ATOM 1676 CA ALA A 109 20.459 -3.655 4.101 1.00 0.00 C ATOM 1677 C ALA A 109 21.691 -2.768 4.246 1.00 0.00 C ATOM 1678 O ALA A 109 22.282 -2.681 5.323 1.00 0.00 O ATOM 1679 CB ALA A 109 20.831 -4.974 3.441 1.00 0.00 C ATOM 0 H ALA A 109 18.902 -3.591 2.699 1.00 0.00 H new ATOM 0 HA ALA A 109 20.070 -3.858 5.099 1.00 0.00 H new ATOM 0 HB1 ALA A 109 21.611 -5.465 4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 109 19.953 -5.618 3.395 1.00 0.00 H new ATOM 0 HB3 ALA A 109 21.196 -4.785 2.431 1.00 0.00 H new ATOM 1685 N ARG A 110 22.074 -2.112 3.156 1.00 0.00 N ATOM 1686 CA ARG A 110 23.237 -1.233 3.161 1.00 0.00 C ATOM 1687 C ARG A 110 23.047 -0.086 4.149 1.00 0.00 C ATOM 1688 O ARG A 110 23.904 0.165 4.995 1.00 0.00 O ATOM 1689 CB ARG A 110 23.489 -0.676 1.759 1.00 0.00 C ATOM 1690 CG ARG A 110 23.917 -1.732 0.753 1.00 0.00 C ATOM 1691 CD ARG A 110 23.751 -1.239 -0.676 1.00 0.00 C ATOM 1692 NE ARG A 110 24.399 -2.125 -1.640 1.00 0.00 N ATOM 1693 CZ ARG A 110 24.034 -2.217 -2.914 1.00 0.00 C ATOM 1694 NH1 ARG A 110 23.032 -1.482 -3.375 1.00 0.00 N ATOM 1695 NH2 ARG A 110 24.673 -3.046 -3.729 1.00 0.00 N ATOM 0 H ARG A 110 21.595 -2.173 2.257 1.00 0.00 H new ATOM 0 HA ARG A 110 24.102 -1.819 3.472 1.00 0.00 H new ATOM 0 HB2 ARG A 110 22.581 -0.192 1.401 1.00 0.00 H new ATOM 0 HB3 ARG A 110 24.259 0.093 1.816 1.00 0.00 H new ATOM 0 HG2 ARG A 110 24.959 -2.001 0.927 1.00 0.00 H new ATOM 0 HG3 ARG A 110 23.325 -2.636 0.898 1.00 0.00 H new ATOM 0 HD2 ARG A 110 22.690 -1.161 -0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 110 24.171 -0.237 -0.765 1.00 0.00 H new ATOM 0 HE ARG A 110 25.174 -2.705 -1.317 1.00 0.00 H new ATOM 0 HH11 ARG A 110 22.539 -0.843 -2.751 1.00 0.00 H new ATOM 0 HH12 ARG A 110 22.754 -1.555 -4.354 1.00 0.00 H new ATOM 0 HH21 ARG A 110 25.445 -3.613 -3.377 1.00 0.00 H new ATOM 0 HH22 ARG A 110 24.393 -3.117 -4.707 1.00 0.00 H new ATOM 1709 N GLU A 111 21.918 0.606 4.034 1.00 0.00 N ATOM 1710 CA GLU A 111 21.617 1.728 4.916 1.00 0.00 C ATOM 1711 C GLU A 111 21.850 1.349 6.376 1.00 0.00 C ATOM 1712 O GLU A 111 22.501 2.081 7.122 1.00 0.00 O ATOM 1713 CB GLU A 111 20.169 2.184 4.722 1.00 0.00 C ATOM 1714 CG GLU A 111 20.001 3.222 3.624 1.00 0.00 C ATOM 1715 CD GLU A 111 20.768 2.869 2.365 1.00 0.00 C ATOM 1716 OE1 GLU A 111 22.014 2.819 2.423 1.00 0.00 O ATOM 1717 OE2 GLU A 111 20.121 2.641 1.321 1.00 0.00 O ATOM 0 H GLU A 111 21.197 0.410 3.339 1.00 0.00 H new ATOM 0 HA GLU A 111 22.287 2.549 4.659 1.00 0.00 H new ATOM 0 HB2 GLU A 111 19.552 1.317 4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 111 19.798 2.596 5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 111 18.943 3.323 3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 111 20.339 4.191 3.991 1.00 0.00 H new ATOM 1724 N TYR A 112 21.314 0.202 6.777 1.00 0.00 N ATOM 1725 CA TYR A 112 21.460 -0.273 8.147 1.00 0.00 C ATOM 1726 C TYR A 112 22.908 -0.154 8.613 1.00 0.00 C ATOM 1727 O TYR A 112 23.191 0.456 9.645 1.00 0.00 O ATOM 1728 CB TYR A 112 20.996 -1.727 8.258 1.00 0.00 C ATOM 1729 CG TYR A 112 19.527 -1.869 8.589 1.00 0.00 C ATOM 1730 CD1 TYR A 112 18.551 -1.573 7.646 1.00 0.00 C ATOM 1731 CD2 TYR A 112 19.117 -2.299 9.845 1.00 0.00 C ATOM 1732 CE1 TYR A 112 17.208 -1.702 7.944 1.00 0.00 C ATOM 1733 CE2 TYR A 112 17.776 -2.432 10.151 1.00 0.00 C ATOM 1734 CZ TYR A 112 16.826 -2.132 9.198 1.00 0.00 C ATOM 1735 OH TYR A 112 15.489 -2.261 9.499 1.00 0.00 O ATOM 0 H TYR A 112 20.774 -0.417 6.172 1.00 0.00 H new ATOM 0 HA TYR A 112 20.837 0.350 8.789 1.00 0.00 H new ATOM 0 HB2 TYR A 112 21.199 -2.237 7.317 1.00 0.00 H new ATOM 0 HB3 TYR A 112 21.583 -2.230 9.026 1.00 0.00 H new ATOM 0 HD1 TYR A 112 18.847 -1.236 6.663 1.00 0.00 H new ATOM 0 HD2 TYR A 112 19.859 -2.533 10.594 1.00 0.00 H new ATOM 0 HE1 TYR A 112 16.462 -1.468 7.200 1.00 0.00 H new ATOM 0 HE2 TYR A 112 17.474 -2.769 11.131 1.00 0.00 H new ATOM 0 HH TYR A 112 15.390 -2.575 10.422 1.00 0.00 H new ATOM 1745 N ASP A 113 23.820 -0.740 7.846 1.00 0.00 N ATOM 1746 CA ASP A 113 25.240 -0.698 8.178 1.00 0.00 C ATOM 1747 C ASP A 113 25.953 0.387 7.377 1.00 0.00 C ATOM 1748 O ASP A 113 26.291 0.190 6.209 1.00 0.00 O ATOM 1749 CB ASP A 113 25.888 -2.057 7.909 1.00 0.00 C ATOM 1750 CG ASP A 113 27.398 -1.969 7.814 1.00 0.00 C ATOM 1751 OD1 ASP A 113 28.062 -1.995 8.872 1.00 0.00 O ATOM 1752 OD2 ASP A 113 27.917 -1.876 6.682 1.00 0.00 O ATOM 0 H ASP A 113 23.602 -1.250 6.990 1.00 0.00 H new ATOM 0 HA ASP A 113 25.334 -0.463 9.238 1.00 0.00 H new ATOM 0 HB2 ASP A 113 25.617 -2.750 8.706 1.00 0.00 H new ATOM 0 HB3 ASP A 113 25.492 -2.468 6.980 1.00 0.00 H new TER 1757 ASP A 113