USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1011 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 GLN : amide:sc= -2.97! C(o=-2.9!,f=-4.7!) USER MOD Set 1.2: A 96 THR OG1 : rot 118:sc= 0.0507 USER MOD Set 2.1: A 87 MET CE :methyl 141:sc= -2.3 (180deg=-7.68!) USER MOD Set 2.2: A 91 GLN : amide:sc= -0.92 K(o=-3.2,f=-6!) USER MOD Set 3.1: A 11 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 15 MET CE :methyl -174:sc= -0.0922 (180deg=-0.213) USER MOD Single : A 13 ASN : amide:sc= -0.452 X(o=-0.45,f=-0.024) USER MOD Single : A 25 LYS NZ :NH3+ 144:sc= -0.183 (180deg=-1.61) USER MOD Single : A 26 ASN : amide:sc= -0.242 X(o=-0.24,f=0) USER MOD Single : A 29 SER OG : rot -59:sc= 0.578 USER MOD Single : A 30 GLN :FLIP amide:sc= -0.219 F(o=-0.92,f=-0.22) USER MOD Single : A 36 TYR OH : rot 102:sc= -0.0461 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.12) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -128:sc= -1.7 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -160:sc= -1.63 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 72 THR OG1 : rot 80:sc= 0.936 USER MOD Single : A 73 GLN : amide:sc= -3.91! C(o=-3.9!,f=-12!) USER MOD Single : A 74 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0227) USER MOD Single : A 77 ASN : amide:sc= -0.0026 X(o=-0.0026,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN :FLIP amide:sc= -0.0262 F(o=-1.3,f=-0.026) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -61:sc= 1.19 USER MOD Single : A 103 LYS NZ :NH3+ -148:sc= 0.688 (180deg=0.184) USER MOD Single : A 105 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.28) USER MOD Single : A 106 MET CE :methyl -138:sc= -1.07 (180deg=-3.87!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -52:sc= 0.544 USER MOD Single : A 111 HIS : no HD1:sc= -0.213 K(o=-0.21,f=-0.8) USER MOD Single : A 112 THR OG1 : rot -150:sc= -0.799 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -1.14 X(o=-1.1,f=-1.5!) USER MOD Single : A 126 GLN : amide:sc= -0.149 K(o=-0.15,f=-0.91) USER MOD Single : A 128 LYS NZ :NH3+ 164:sc= -0.597 (180deg=-0.936) USER MOD ----------------------------------------------------------------- ATOM 106 N ASP A 8 18.548 -9.435 -9.128 1.00 62.21 N ATOM 107 CA ASP A 8 17.851 -10.247 -8.137 1.00 51.23 C ATOM 108 C ASP A 8 16.700 -11.017 -8.778 1.00 43.20 C ATOM 109 O ASP A 8 15.569 -10.980 -8.293 1.00 74.31 O ATOM 110 CB ASP A 8 17.323 -9.365 -7.005 1.00 13.03 C ATOM 111 CG ASP A 8 16.356 -8.306 -7.498 1.00 45.00 C ATOM 112 OD1 ASP A 8 16.782 -7.436 -8.286 1.00 61.23 O ATOM 113 OD2 ASP A 8 15.175 -8.346 -7.095 1.00 71.42 O ATOM 0 HA ASP A 8 18.561 -10.965 -7.727 1.00 51.23 H new ATOM 0 HB2 ASP A 8 16.825 -9.990 -6.263 1.00 13.03 H new ATOM 0 HB3 ASP A 8 18.162 -8.882 -6.504 1.00 13.03 H new ATOM 118 N LEU A 9 16.997 -11.712 -9.870 1.00 75.24 N ATOM 119 CA LEU A 9 15.987 -12.491 -10.579 1.00 54.30 C ATOM 120 C LEU A 9 16.072 -13.966 -10.201 1.00 61.02 C ATOM 121 O LEU A 9 15.113 -14.718 -10.373 1.00 61.54 O ATOM 122 CB LEU A 9 16.157 -12.329 -12.091 1.00 5.15 C ATOM 123 CG LEU A 9 17.401 -12.979 -12.699 1.00 35.21 C ATOM 124 CD1 LEU A 9 17.127 -13.418 -14.129 1.00 64.40 C ATOM 125 CD2 LEU A 9 18.582 -12.021 -12.650 1.00 32.24 C ATOM 0 H LEU A 9 17.928 -11.752 -10.284 1.00 75.24 H new ATOM 0 HA LEU A 9 15.005 -12.117 -10.288 1.00 54.30 H new ATOM 0 HB2 LEU A 9 15.277 -12.745 -12.582 1.00 5.15 H new ATOM 0 HB3 LEU A 9 16.178 -11.264 -12.322 1.00 5.15 H new ATOM 0 HG LEU A 9 17.651 -13.862 -12.111 1.00 35.21 H new ATOM 0 HD11 LEU A 9 18.023 -13.878 -14.546 1.00 64.40 H new ATOM 0 HD12 LEU A 9 16.310 -14.140 -14.138 1.00 64.40 H new ATOM 0 HD13 LEU A 9 16.851 -12.551 -14.729 1.00 64.40 H new ATOM 0 HD21 LEU A 9 19.458 -12.501 -13.087 1.00 32.24 H new ATOM 0 HD22 LEU A 9 18.343 -11.119 -13.214 1.00 32.24 H new ATOM 0 HD23 LEU A 9 18.792 -11.756 -11.614 1.00 32.24 H new ATOM 137 N VAL A 10 17.227 -14.373 -9.683 1.00 13.00 N ATOM 138 CA VAL A 10 17.437 -15.757 -9.277 1.00 73.51 C ATOM 139 C VAL A 10 16.360 -16.213 -8.299 1.00 13.21 C ATOM 140 O VAL A 10 16.055 -17.402 -8.204 1.00 60.01 O ATOM 141 CB VAL A 10 18.820 -15.948 -8.626 1.00 54.03 C ATOM 142 CG1 VAL A 10 19.028 -14.937 -7.509 1.00 32.32 C ATOM 143 CG2 VAL A 10 18.972 -17.369 -8.106 1.00 71.30 C ATOM 0 H VAL A 10 18.031 -13.763 -9.535 1.00 13.00 H new ATOM 0 HA VAL A 10 17.383 -16.363 -10.181 1.00 73.51 H new ATOM 0 HB VAL A 10 19.586 -15.779 -9.383 1.00 54.03 H new ATOM 0 HG11 VAL A 10 20.010 -15.087 -7.061 1.00 32.32 H new ATOM 0 HG12 VAL A 10 18.965 -13.928 -7.915 1.00 32.32 H new ATOM 0 HG13 VAL A 10 18.258 -15.071 -6.749 1.00 32.32 H new ATOM 0 HG21 VAL A 10 19.955 -17.486 -7.649 1.00 71.30 H new ATOM 0 HG22 VAL A 10 18.200 -17.569 -7.363 1.00 71.30 H new ATOM 0 HG23 VAL A 10 18.870 -18.072 -8.933 1.00 71.30 H new ATOM 153 N TYR A 11 15.786 -15.259 -7.573 1.00 63.43 N ATOM 154 CA TYR A 11 14.744 -15.562 -6.600 1.00 73.30 C ATOM 155 C TYR A 11 13.387 -15.710 -7.283 1.00 24.13 C ATOM 156 O TYR A 11 12.511 -16.430 -6.801 1.00 4.31 O ATOM 157 CB TYR A 11 14.675 -14.465 -5.537 1.00 0.23 C ATOM 158 CG TYR A 11 13.278 -13.935 -5.303 1.00 23.14 C ATOM 159 CD1 TYR A 11 12.755 -12.924 -6.100 1.00 21.15 C ATOM 160 CD2 TYR A 11 12.482 -14.445 -4.284 1.00 43.43 C ATOM 161 CE1 TYR A 11 11.480 -12.436 -5.889 1.00 72.40 C ATOM 162 CE2 TYR A 11 11.205 -13.964 -4.068 1.00 24.05 C ATOM 163 CZ TYR A 11 10.709 -12.960 -4.872 1.00 52.12 C ATOM 164 OH TYR A 11 9.438 -12.478 -4.659 1.00 11.54 O ATOM 0 H TYR A 11 16.025 -14.270 -7.641 1.00 63.43 H new ATOM 0 HA TYR A 11 14.994 -16.508 -6.120 1.00 73.30 H new ATOM 0 HB2 TYR A 11 15.068 -14.855 -4.598 1.00 0.23 H new ATOM 0 HB3 TYR A 11 15.322 -13.640 -5.836 1.00 0.23 H new ATOM 0 HD1 TYR A 11 13.355 -12.513 -6.898 1.00 21.15 H new ATOM 0 HD2 TYR A 11 12.868 -15.230 -3.651 1.00 43.43 H new ATOM 0 HE1 TYR A 11 11.089 -11.649 -6.517 1.00 72.40 H new ATOM 0 HE2 TYR A 11 10.598 -14.372 -3.273 1.00 24.05 H new ATOM 0 HH TYR A 11 9.029 -12.954 -3.906 1.00 11.54 H new ATOM 174 N LEU A 12 13.221 -15.024 -8.408 1.00 63.42 N ATOM 175 CA LEU A 12 11.972 -15.079 -9.160 1.00 2.51 C ATOM 176 C LEU A 12 11.843 -16.403 -9.906 1.00 53.41 C ATOM 177 O LEU A 12 10.737 -16.882 -10.151 1.00 72.35 O ATOM 178 CB LEU A 12 11.898 -13.914 -10.148 1.00 41.45 C ATOM 179 CG LEU A 12 11.333 -12.603 -9.600 1.00 4.31 C ATOM 180 CD1 LEU A 12 11.467 -11.492 -10.630 1.00 13.32 C ATOM 181 CD2 LEU A 12 9.879 -12.779 -9.188 1.00 61.33 C ATOM 0 H LEU A 12 13.935 -14.423 -8.820 1.00 63.42 H new ATOM 0 HA LEU A 12 11.146 -15.001 -8.453 1.00 2.51 H new ATOM 0 HB2 LEU A 12 12.901 -13.723 -10.529 1.00 41.45 H new ATOM 0 HB3 LEU A 12 11.288 -14.222 -10.997 1.00 41.45 H new ATOM 0 HG LEU A 12 11.908 -12.323 -8.717 1.00 4.31 H new ATOM 0 HD11 LEU A 12 11.060 -10.567 -10.222 1.00 13.32 H new ATOM 0 HD12 LEU A 12 12.519 -11.348 -10.875 1.00 13.32 H new ATOM 0 HD13 LEU A 12 10.918 -11.764 -11.532 1.00 13.32 H new ATOM 0 HD21 LEU A 12 9.494 -11.836 -8.800 1.00 61.33 H new ATOM 0 HD22 LEU A 12 9.290 -13.083 -10.053 1.00 61.33 H new ATOM 0 HD23 LEU A 12 9.810 -13.544 -8.415 1.00 61.33 H new ATOM 193 N ASN A 13 12.981 -16.989 -10.262 1.00 50.03 N ATOM 194 CA ASN A 13 12.995 -18.259 -10.979 1.00 72.01 C ATOM 195 C ASN A 13 12.946 -19.433 -10.006 1.00 70.32 C ATOM 196 O ASN A 13 12.073 -20.296 -10.101 1.00 12.02 O ATOM 197 CB ASN A 13 14.245 -18.360 -11.856 1.00 33.23 C ATOM 198 CG ASN A 13 14.296 -17.278 -12.917 1.00 11.23 C ATOM 199 OD1 ASN A 13 13.630 -17.372 -13.948 1.00 14.44 O ATOM 200 ND2 ASN A 13 15.090 -16.243 -12.668 1.00 11.21 N ATOM 0 H ASN A 13 13.905 -16.605 -10.066 1.00 50.03 H new ATOM 0 HA ASN A 13 12.110 -18.299 -11.614 1.00 72.01 H new ATOM 0 HB2 ASN A 13 15.133 -18.291 -11.228 1.00 33.23 H new ATOM 0 HB3 ASN A 13 14.270 -19.338 -12.337 1.00 33.23 H new ATOM 0 HD21 ASN A 13 15.166 -15.484 -13.345 1.00 11.21 H new ATOM 0 HD22 ASN A 13 15.624 -16.207 -11.800 1.00 11.21 H new ATOM 207 N VAL A 14 13.890 -19.459 -9.070 1.00 72.15 N ATOM 208 CA VAL A 14 13.954 -20.526 -8.079 1.00 10.13 C ATOM 209 C VAL A 14 12.613 -20.703 -7.375 1.00 63.50 C ATOM 210 O VAL A 14 12.276 -21.799 -6.928 1.00 21.24 O ATOM 211 CB VAL A 14 15.042 -20.247 -7.024 1.00 73.33 C ATOM 212 CG1 VAL A 14 14.875 -21.171 -5.828 1.00 31.42 C ATOM 213 CG2 VAL A 14 16.427 -20.398 -7.636 1.00 14.44 C ATOM 0 H VAL A 14 14.621 -18.753 -8.978 1.00 72.15 H new ATOM 0 HA VAL A 14 14.204 -21.442 -8.615 1.00 10.13 H new ATOM 0 HB VAL A 14 14.933 -19.220 -6.677 1.00 73.33 H new ATOM 0 HG11 VAL A 14 15.652 -20.959 -5.093 1.00 31.42 H new ATOM 0 HG12 VAL A 14 13.896 -21.009 -5.377 1.00 31.42 H new ATOM 0 HG13 VAL A 14 14.957 -22.208 -6.155 1.00 31.42 H new ATOM 0 HG21 VAL A 14 17.184 -20.198 -6.878 1.00 14.44 H new ATOM 0 HG22 VAL A 14 16.550 -21.414 -8.012 1.00 14.44 H new ATOM 0 HG23 VAL A 14 16.541 -19.691 -8.458 1.00 14.44 H new ATOM 223 N MET A 15 11.852 -19.618 -7.281 1.00 60.14 N ATOM 224 CA MET A 15 10.546 -19.655 -6.633 1.00 41.33 C ATOM 225 C MET A 15 9.644 -20.697 -7.286 1.00 62.41 C ATOM 226 O MET A 15 9.101 -21.571 -6.611 1.00 4.14 O ATOM 227 CB MET A 15 9.883 -18.278 -6.697 1.00 54.43 C ATOM 228 CG MET A 15 8.554 -18.209 -5.962 1.00 53.34 C ATOM 229 SD MET A 15 7.582 -16.760 -6.418 1.00 43.32 S ATOM 230 CE MET A 15 8.663 -15.441 -5.868 1.00 72.24 C ATOM 0 H MET A 15 12.117 -18.703 -7.645 1.00 60.14 H new ATOM 0 HA MET A 15 10.694 -19.932 -5.589 1.00 41.33 H new ATOM 0 HB2 MET A 15 10.562 -17.537 -6.274 1.00 54.43 H new ATOM 0 HB3 MET A 15 9.726 -18.008 -7.741 1.00 54.43 H new ATOM 0 HG2 MET A 15 7.978 -19.110 -6.175 1.00 53.34 H new ATOM 0 HG3 MET A 15 8.738 -18.195 -4.888 1.00 53.34 H new ATOM 0 HE1 MET A 15 8.156 -14.483 -5.983 1.00 72.24 H new ATOM 0 HE2 MET A 15 8.918 -15.593 -4.819 1.00 72.24 H new ATOM 0 HE3 MET A 15 9.574 -15.444 -6.467 1.00 72.24 H new ATOM 240 N GLU A 16 9.489 -20.599 -8.603 1.00 4.42 N ATOM 241 CA GLU A 16 8.652 -21.533 -9.345 1.00 31.50 C ATOM 242 C GLU A 16 9.290 -22.919 -9.388 1.00 74.21 C ATOM 243 O GLU A 16 8.603 -23.926 -9.567 1.00 12.04 O ATOM 244 CB GLU A 16 8.417 -21.023 -10.768 1.00 65.44 C ATOM 245 CG GLU A 16 9.686 -20.933 -11.599 1.00 45.31 C ATOM 246 CD GLU A 16 9.414 -20.994 -13.090 1.00 33.15 C ATOM 247 OE1 GLU A 16 9.079 -22.089 -13.587 1.00 75.13 O ATOM 248 OE2 GLU A 16 9.535 -19.946 -13.758 1.00 24.11 O ATOM 0 H GLU A 16 9.932 -19.882 -9.177 1.00 4.42 H new ATOM 0 HA GLU A 16 7.693 -21.609 -8.832 1.00 31.50 H new ATOM 0 HB2 GLU A 16 7.710 -21.684 -11.270 1.00 65.44 H new ATOM 0 HB3 GLU A 16 7.953 -20.038 -10.720 1.00 65.44 H new ATOM 0 HG2 GLU A 16 10.203 -20.002 -11.366 1.00 45.31 H new ATOM 0 HG3 GLU A 16 10.355 -21.747 -11.322 1.00 45.31 H new ATOM 255 N LEU A 17 10.607 -22.963 -9.224 1.00 1.20 N ATOM 256 CA LEU A 17 11.339 -24.224 -9.244 1.00 63.44 C ATOM 257 C LEU A 17 11.003 -25.069 -8.020 1.00 32.22 C ATOM 258 O LEU A 17 10.716 -26.261 -8.134 1.00 41.13 O ATOM 259 CB LEU A 17 12.845 -23.962 -9.299 1.00 3.22 C ATOM 260 CG LEU A 17 13.747 -25.167 -9.029 1.00 11.15 C ATOM 261 CD1 LEU A 17 13.638 -26.179 -10.159 1.00 4.15 C ATOM 262 CD2 LEU A 17 15.191 -24.722 -8.845 1.00 73.31 C ATOM 0 H LEU A 17 11.190 -22.139 -9.076 1.00 1.20 H new ATOM 0 HA LEU A 17 11.039 -24.775 -10.136 1.00 63.44 H new ATOM 0 HB2 LEU A 17 13.089 -23.565 -10.284 1.00 3.22 H new ATOM 0 HB3 LEU A 17 13.085 -23.184 -8.574 1.00 3.22 H new ATOM 0 HG LEU A 17 13.416 -25.646 -8.107 1.00 11.15 H new ATOM 0 HD11 LEU A 17 14.287 -27.030 -9.950 1.00 4.15 H new ATOM 0 HD12 LEU A 17 12.607 -26.521 -10.243 1.00 4.15 H new ATOM 0 HD13 LEU A 17 13.943 -25.712 -11.096 1.00 4.15 H new ATOM 0 HD21 LEU A 17 15.818 -25.593 -8.654 1.00 73.31 H new ATOM 0 HD22 LEU A 17 15.535 -24.219 -9.749 1.00 73.31 H new ATOM 0 HD23 LEU A 17 15.255 -24.036 -8.001 1.00 73.31 H new ATOM 274 N VAL A 18 11.038 -24.443 -6.848 1.00 32.24 N ATOM 275 CA VAL A 18 10.733 -25.136 -5.601 1.00 63.25 C ATOM 276 C VAL A 18 9.255 -25.501 -5.523 1.00 22.15 C ATOM 277 O VAL A 18 8.874 -26.442 -4.826 1.00 70.12 O ATOM 278 CB VAL A 18 11.105 -24.279 -4.377 1.00 43.11 C ATOM 279 CG1 VAL A 18 10.948 -25.082 -3.095 1.00 21.10 C ATOM 280 CG2 VAL A 18 12.524 -23.746 -4.512 1.00 13.24 C ATOM 0 H VAL A 18 11.274 -23.457 -6.736 1.00 32.24 H new ATOM 0 HA VAL A 18 11.330 -26.048 -5.591 1.00 63.25 H new ATOM 0 HB VAL A 18 10.425 -23.429 -4.330 1.00 43.11 H new ATOM 0 HG11 VAL A 18 11.215 -24.460 -2.241 1.00 21.10 H new ATOM 0 HG12 VAL A 18 9.913 -25.410 -2.995 1.00 21.10 H new ATOM 0 HG13 VAL A 18 11.603 -25.953 -3.129 1.00 21.10 H new ATOM 0 HG21 VAL A 18 12.771 -23.142 -3.638 1.00 13.24 H new ATOM 0 HG22 VAL A 18 13.221 -24.581 -4.585 1.00 13.24 H new ATOM 0 HG23 VAL A 18 12.598 -23.132 -5.410 1.00 13.24 H new ATOM 290 N ARG A 19 8.427 -24.750 -6.241 1.00 71.54 N ATOM 291 CA ARG A 19 6.990 -24.994 -6.252 1.00 74.43 C ATOM 292 C ARG A 19 6.634 -26.104 -7.237 1.00 70.15 C ATOM 293 O ARG A 19 5.943 -27.060 -6.888 1.00 33.14 O ATOM 294 CB ARG A 19 6.236 -23.714 -6.617 1.00 2.35 C ATOM 295 CG ARG A 19 5.744 -22.932 -5.409 1.00 62.33 C ATOM 296 CD ARG A 19 6.873 -22.153 -4.752 1.00 52.04 C ATOM 297 NE ARG A 19 6.538 -21.748 -3.390 1.00 34.12 N ATOM 298 CZ ARG A 19 7.246 -20.869 -2.689 1.00 74.32 C ATOM 299 NH1 ARG A 19 8.322 -20.306 -3.220 1.00 50.02 N ATOM 300 NH2 ARG A 19 6.877 -20.552 -1.455 1.00 10.14 N ATOM 0 H ARG A 19 8.727 -23.968 -6.823 1.00 71.54 H new ATOM 0 HA ARG A 19 6.694 -25.310 -5.252 1.00 74.43 H new ATOM 0 HB2 ARG A 19 6.889 -23.075 -7.212 1.00 2.35 H new ATOM 0 HB3 ARG A 19 5.383 -23.971 -7.245 1.00 2.35 H new ATOM 0 HG2 ARG A 19 4.956 -22.244 -5.716 1.00 62.33 H new ATOM 0 HG3 ARG A 19 5.304 -23.618 -4.685 1.00 62.33 H new ATOM 0 HD2 ARG A 19 7.775 -22.765 -4.737 1.00 52.04 H new ATOM 0 HD3 ARG A 19 7.098 -21.269 -5.348 1.00 52.04 H new ATOM 0 HE ARG A 19 5.715 -22.163 -2.952 1.00 34.12 H new ATOM 0 HH11 ARG A 19 8.608 -20.547 -4.169 1.00 50.02 H new ATOM 0 HH12 ARG A 19 8.864 -19.631 -2.680 1.00 50.02 H new ATOM 0 HH21 ARG A 19 6.049 -20.983 -1.044 1.00 10.14 H new ATOM 0 HH22 ARG A 19 7.421 -19.877 -0.917 1.00 10.14 H new ATOM 314 N ALA A 20 7.111 -25.969 -8.470 1.00 41.15 N ATOM 315 CA ALA A 20 6.845 -26.960 -9.505 1.00 71.25 C ATOM 316 C ALA A 20 7.273 -28.353 -9.055 1.00 43.31 C ATOM 317 O ALA A 20 6.637 -29.350 -9.396 1.00 54.30 O ATOM 318 CB ALA A 20 7.555 -26.579 -10.796 1.00 72.22 C ATOM 0 H ALA A 20 7.684 -25.183 -8.776 1.00 41.15 H new ATOM 0 HA ALA A 20 5.770 -26.980 -9.686 1.00 71.25 H new ATOM 0 HB1 ALA A 20 7.347 -27.328 -11.560 1.00 72.22 H new ATOM 0 HB2 ALA A 20 7.197 -25.607 -11.135 1.00 72.22 H new ATOM 0 HB3 ALA A 20 8.629 -26.529 -10.619 1.00 72.22 H new ATOM 324 N VAL A 21 8.357 -28.414 -8.287 1.00 73.24 N ATOM 325 CA VAL A 21 8.870 -29.685 -7.790 1.00 1.11 C ATOM 326 C VAL A 21 8.053 -30.180 -6.602 1.00 23.23 C ATOM 327 O VAL A 21 8.098 -31.361 -6.252 1.00 41.52 O ATOM 328 CB VAL A 21 10.347 -29.568 -7.370 1.00 44.22 C ATOM 329 CG1 VAL A 21 10.484 -28.692 -6.134 1.00 73.10 C ATOM 330 CG2 VAL A 21 10.942 -30.946 -7.125 1.00 61.43 C ATOM 0 H VAL A 21 8.896 -27.598 -7.996 1.00 73.24 H new ATOM 0 HA VAL A 21 8.788 -30.401 -8.608 1.00 1.11 H new ATOM 0 HB VAL A 21 10.901 -29.097 -8.182 1.00 44.22 H new ATOM 0 HG11 VAL A 21 11.535 -28.621 -5.853 1.00 73.10 H new ATOM 0 HG12 VAL A 21 10.098 -27.696 -6.350 1.00 73.10 H new ATOM 0 HG13 VAL A 21 9.917 -29.130 -5.313 1.00 73.10 H new ATOM 0 HG21 VAL A 21 11.986 -30.844 -6.829 1.00 61.43 H new ATOM 0 HG22 VAL A 21 10.387 -31.446 -6.331 1.00 61.43 H new ATOM 0 HG23 VAL A 21 10.880 -31.537 -8.039 1.00 61.43 H new ATOM 340 N LEU A 22 7.307 -29.271 -5.984 1.00 71.41 N ATOM 341 CA LEU A 22 6.478 -29.615 -4.834 1.00 20.40 C ATOM 342 C LEU A 22 5.159 -30.239 -5.280 1.00 65.21 C ATOM 343 O LEU A 22 4.561 -31.032 -4.554 1.00 55.12 O ATOM 344 CB LEU A 22 6.206 -28.371 -3.986 1.00 72.43 C ATOM 345 CG LEU A 22 5.160 -28.528 -2.881 1.00 44.34 C ATOM 346 CD1 LEU A 22 5.623 -29.544 -1.849 1.00 11.12 C ATOM 347 CD2 LEU A 22 4.877 -27.186 -2.222 1.00 54.11 C ATOM 0 H LEU A 22 7.259 -28.290 -6.260 1.00 71.41 H new ATOM 0 HA LEU A 22 7.019 -30.346 -4.233 1.00 20.40 H new ATOM 0 HB2 LEU A 22 7.144 -28.055 -3.529 1.00 72.43 H new ATOM 0 HB3 LEU A 22 5.887 -27.566 -4.649 1.00 72.43 H new ATOM 0 HG LEU A 22 4.236 -28.892 -3.330 1.00 44.34 H new ATOM 0 HD11 LEU A 22 4.866 -29.643 -1.071 1.00 11.12 H new ATOM 0 HD12 LEU A 22 5.775 -30.509 -2.332 1.00 11.12 H new ATOM 0 HD13 LEU A 22 6.560 -29.209 -1.404 1.00 11.12 H new ATOM 0 HD21 LEU A 22 4.131 -27.316 -1.438 1.00 54.11 H new ATOM 0 HD22 LEU A 22 5.796 -26.793 -1.787 1.00 54.11 H new ATOM 0 HD23 LEU A 22 4.501 -26.486 -2.968 1.00 54.11 H new ATOM 359 N GLU A 23 4.715 -29.877 -6.479 1.00 40.24 N ATOM 360 CA GLU A 23 3.468 -30.403 -7.022 1.00 50.31 C ATOM 361 C GLU A 23 3.618 -31.872 -7.404 1.00 71.52 C ATOM 362 O GLU A 23 2.700 -32.672 -7.215 1.00 51.32 O ATOM 363 CB GLU A 23 3.034 -29.589 -8.243 1.00 12.21 C ATOM 364 CG GLU A 23 3.162 -28.087 -8.050 1.00 72.01 C ATOM 365 CD GLU A 23 2.704 -27.634 -6.677 1.00 52.04 C ATOM 366 OE1 GLU A 23 1.703 -28.184 -6.174 1.00 35.33 O ATOM 367 OE2 GLU A 23 3.348 -26.729 -6.107 1.00 13.42 O ATOM 0 H GLU A 23 5.200 -29.222 -7.093 1.00 40.24 H new ATOM 0 HA GLU A 23 2.703 -30.322 -6.250 1.00 50.31 H new ATOM 0 HB2 GLU A 23 3.635 -29.889 -9.101 1.00 12.21 H new ATOM 0 HB3 GLU A 23 1.998 -29.829 -8.480 1.00 12.21 H new ATOM 0 HG2 GLU A 23 4.201 -27.793 -8.198 1.00 72.01 H new ATOM 0 HG3 GLU A 23 2.574 -27.575 -8.812 1.00 72.01 H new ATOM 374 N LEU A 24 4.781 -32.222 -7.943 1.00 52.32 N ATOM 375 CA LEU A 24 5.052 -33.595 -8.353 1.00 63.11 C ATOM 376 C LEU A 24 5.264 -34.494 -7.139 1.00 73.01 C ATOM 377 O LEU A 24 5.266 -35.720 -7.253 1.00 44.13 O ATOM 378 CB LEU A 24 6.284 -33.644 -9.259 1.00 2.23 C ATOM 379 CG LEU A 24 7.639 -33.651 -8.549 1.00 72.14 C ATOM 380 CD1 LEU A 24 8.086 -35.077 -8.268 1.00 22.12 C ATOM 381 CD2 LEU A 24 8.681 -32.918 -9.382 1.00 14.23 C ATOM 0 H LEU A 24 5.551 -31.574 -8.106 1.00 52.32 H new ATOM 0 HA LEU A 24 4.187 -33.960 -8.906 1.00 63.11 H new ATOM 0 HB2 LEU A 24 6.218 -34.537 -9.881 1.00 2.23 H new ATOM 0 HB3 LEU A 24 6.252 -32.785 -9.929 1.00 2.23 H new ATOM 0 HG LEU A 24 7.532 -33.131 -7.597 1.00 72.14 H new ATOM 0 HD11 LEU A 24 9.052 -35.063 -7.763 1.00 22.12 H new ATOM 0 HD12 LEU A 24 7.351 -35.570 -7.632 1.00 22.12 H new ATOM 0 HD13 LEU A 24 8.176 -35.622 -9.208 1.00 22.12 H new ATOM 0 HD21 LEU A 24 9.639 -32.933 -8.862 1.00 14.23 H new ATOM 0 HD22 LEU A 24 8.786 -33.410 -10.349 1.00 14.23 H new ATOM 0 HD23 LEU A 24 8.366 -31.885 -9.533 1.00 14.23 H new ATOM 393 N LYS A 25 5.439 -33.877 -5.976 1.00 13.44 N ATOM 394 CA LYS A 25 5.647 -34.620 -4.738 1.00 42.54 C ATOM 395 C LYS A 25 4.344 -35.245 -4.253 1.00 75.43 C ATOM 396 O LYS A 25 4.290 -36.438 -3.956 1.00 12.10 O ATOM 397 CB LYS A 25 6.217 -33.699 -3.657 1.00 21.24 C ATOM 398 CG LYS A 25 7.624 -33.210 -3.954 1.00 10.14 C ATOM 399 CD LYS A 25 8.668 -34.042 -3.229 1.00 25.03 C ATOM 400 CE LYS A 25 8.640 -33.789 -1.729 1.00 71.32 C ATOM 401 NZ LYS A 25 9.150 -34.958 -0.960 1.00 11.01 N ATOM 0 H LYS A 25 5.441 -32.863 -5.864 1.00 13.44 H new ATOM 0 HA LYS A 25 6.360 -35.420 -4.939 1.00 42.54 H new ATOM 0 HB2 LYS A 25 5.559 -32.838 -3.541 1.00 21.24 H new ATOM 0 HB3 LYS A 25 6.219 -34.229 -2.704 1.00 21.24 H new ATOM 0 HG2 LYS A 25 7.806 -33.252 -5.028 1.00 10.14 H new ATOM 0 HG3 LYS A 25 7.718 -32.166 -3.655 1.00 10.14 H new ATOM 0 HD2 LYS A 25 8.491 -35.100 -3.424 1.00 25.03 H new ATOM 0 HD3 LYS A 25 9.658 -33.807 -3.620 1.00 25.03 H new ATOM 0 HE2 LYS A 25 9.243 -32.911 -1.497 1.00 71.32 H new ATOM 0 HE3 LYS A 25 7.620 -33.566 -1.417 1.00 71.32 H new ATOM 0 HZ1 LYS A 25 9.678 -34.623 -0.129 1.00 11.01 H new ATOM 0 HZ2 LYS A 25 8.350 -35.545 -0.649 1.00 11.01 H new ATOM 0 HZ3 LYS A 25 9.779 -35.524 -1.565 1.00 11.01 H new ATOM 415 N ASN A 26 3.295 -34.433 -4.177 1.00 54.32 N ATOM 416 CA ASN A 26 1.991 -34.908 -3.729 1.00 14.20 C ATOM 417 C ASN A 26 1.290 -35.695 -4.832 1.00 52.11 C ATOM 418 O ASN A 26 0.434 -36.536 -4.560 1.00 13.35 O ATOM 419 CB ASN A 26 1.117 -33.729 -3.294 1.00 61.23 C ATOM 420 CG ASN A 26 1.803 -32.850 -2.266 1.00 54.35 C ATOM 421 OD1 ASN A 26 1.777 -31.623 -2.367 1.00 43.01 O ATOM 422 ND2 ASN A 26 2.420 -33.475 -1.271 1.00 10.33 N ATOM 0 H ASN A 26 3.322 -33.443 -4.420 1.00 54.32 H new ATOM 0 HA ASN A 26 2.147 -35.570 -2.877 1.00 14.20 H new ATOM 0 HB2 ASN A 26 0.860 -33.129 -4.167 1.00 61.23 H new ATOM 0 HB3 ASN A 26 0.182 -34.106 -2.880 1.00 61.23 H new ATOM 0 HD21 ASN A 26 2.899 -32.936 -0.549 1.00 10.33 H new ATOM 0 HD22 ASN A 26 2.415 -34.494 -1.228 1.00 10.33 H new ATOM 429 N GLU A 27 1.661 -35.416 -6.078 1.00 15.21 N ATOM 430 CA GLU A 27 1.067 -36.098 -7.222 1.00 10.02 C ATOM 431 C GLU A 27 1.642 -37.503 -7.375 1.00 74.35 C ATOM 432 O GLU A 27 1.202 -38.277 -8.227 1.00 54.42 O ATOM 433 CB GLU A 27 1.305 -35.295 -8.502 1.00 52.04 C ATOM 434 CG GLU A 27 0.287 -34.189 -8.725 1.00 41.12 C ATOM 435 CD GLU A 27 0.848 -33.034 -9.532 1.00 71.11 C ATOM 436 OE1 GLU A 27 1.887 -33.224 -10.198 1.00 2.14 O ATOM 437 OE2 GLU A 27 0.246 -31.940 -9.498 1.00 24.01 O ATOM 0 H GLU A 27 2.369 -34.723 -6.321 1.00 15.21 H new ATOM 0 HA GLU A 27 -0.006 -36.180 -7.048 1.00 10.02 H new ATOM 0 HB2 GLU A 27 2.303 -34.857 -8.466 1.00 52.04 H new ATOM 0 HB3 GLU A 27 1.285 -35.973 -9.355 1.00 52.04 H new ATOM 0 HG2 GLU A 27 -0.582 -34.599 -9.240 1.00 41.12 H new ATOM 0 HG3 GLU A 27 -0.059 -33.819 -7.760 1.00 41.12 H new ATOM 444 N LEU A 28 2.627 -37.827 -6.546 1.00 5.31 N ATOM 445 CA LEU A 28 3.264 -39.139 -6.589 1.00 1.43 C ATOM 446 C LEU A 28 2.222 -40.251 -6.540 1.00 30.33 C ATOM 447 O LEU A 28 2.372 -41.285 -7.191 1.00 22.34 O ATOM 448 CB LEU A 28 4.244 -39.290 -5.424 1.00 32.12 C ATOM 449 CG LEU A 28 5.395 -40.273 -5.639 1.00 4.22 C ATOM 450 CD1 LEU A 28 4.866 -41.690 -5.795 1.00 52.20 C ATOM 451 CD2 LEU A 28 6.219 -39.872 -6.854 1.00 74.14 C ATOM 0 H LEU A 28 3.003 -37.199 -5.835 1.00 5.31 H new ATOM 0 HA LEU A 28 3.811 -39.220 -7.528 1.00 1.43 H new ATOM 0 HB2 LEU A 28 4.666 -38.310 -5.201 1.00 32.12 H new ATOM 0 HB3 LEU A 28 3.684 -39.604 -4.543 1.00 32.12 H new ATOM 0 HG LEU A 28 6.041 -40.244 -4.761 1.00 4.22 H new ATOM 0 HD11 LEU A 28 5.700 -42.375 -5.947 1.00 52.20 H new ATOM 0 HD12 LEU A 28 4.321 -41.976 -4.895 1.00 52.20 H new ATOM 0 HD13 LEU A 28 4.197 -41.736 -6.654 1.00 52.20 H new ATOM 0 HD21 LEU A 28 7.034 -40.583 -6.992 1.00 74.14 H new ATOM 0 HD22 LEU A 28 5.584 -39.871 -7.740 1.00 74.14 H new ATOM 0 HD23 LEU A 28 6.630 -38.874 -6.702 1.00 74.14 H new ATOM 463 N SER A 29 1.164 -40.031 -5.765 1.00 65.01 N ATOM 464 CA SER A 29 0.098 -41.016 -5.630 1.00 14.21 C ATOM 465 C SER A 29 -1.224 -40.460 -6.153 1.00 22.45 C ATOM 466 O SER A 29 -2.262 -40.586 -5.503 1.00 65.01 O ATOM 467 CB SER A 29 -0.056 -41.435 -4.167 1.00 24.34 C ATOM 468 OG SER A 29 -1.024 -42.461 -4.029 1.00 1.33 O ATOM 0 H SER A 29 1.023 -39.179 -5.222 1.00 65.01 H new ATOM 0 HA SER A 29 0.366 -41.889 -6.224 1.00 14.21 H new ATOM 0 HB2 SER A 29 0.903 -41.782 -3.782 1.00 24.34 H new ATOM 0 HB3 SER A 29 -0.348 -40.573 -3.567 1.00 24.34 H new ATOM 0 HG SER A 29 -1.887 -42.145 -4.369 1.00 1.33 H new ATOM 474 N GLN A 30 -1.176 -39.846 -7.330 1.00 62.22 N ATOM 475 CA GLN A 30 -2.369 -39.271 -7.940 1.00 44.32 C ATOM 476 C GLN A 30 -2.330 -39.419 -9.458 1.00 23.24 C ATOM 477 O GLN A 30 -3.337 -39.746 -10.086 1.00 73.30 O ATOM 478 CB GLN A 30 -2.498 -37.794 -7.564 1.00 3.24 C ATOM 479 CG GLN A 30 -3.899 -37.398 -7.127 1.00 2.52 C ATOM 480 CD GLN A 30 -4.359 -38.147 -5.892 1.00 71.32 C ATOM 481 OE1 GLN A 30 -3.498 -38.212 -4.883 1.00 54.34 O flip ATOM 482 NE2 GLN A 30 -5.476 -38.663 -5.845 1.00 70.34 N flip ATOM 0 H GLN A 30 -0.325 -39.734 -7.880 1.00 62.22 H new ATOM 0 HA GLN A 30 -3.236 -39.813 -7.562 1.00 44.32 H new ATOM 0 HB2 GLN A 30 -1.798 -37.570 -6.759 1.00 3.24 H new ATOM 0 HB3 GLN A 30 -2.207 -37.183 -8.419 1.00 3.24 H new ATOM 0 HG2 GLN A 30 -3.924 -36.327 -6.928 1.00 2.52 H new ATOM 0 HG3 GLN A 30 -4.597 -37.587 -7.943 1.00 2.52 H new ATOM 0 HE21 GLN A 30 -6.106 -38.589 -6.644 1.00 70.34 H new ATOM 0 HE22 GLN A 30 -5.771 -39.165 -5.007 1.00 70.34 H new ATOM 491 N LEU A 31 -1.161 -39.177 -10.041 1.00 11.41 N ATOM 492 CA LEU A 31 -0.991 -39.283 -11.486 1.00 25.02 C ATOM 493 C LEU A 31 -0.084 -40.457 -11.842 1.00 75.22 C ATOM 494 O LEU A 31 0.740 -40.902 -11.043 1.00 13.01 O ATOM 495 CB LEU A 31 -0.407 -37.985 -12.047 1.00 72.23 C ATOM 496 CG LEU A 31 -0.740 -36.709 -11.272 1.00 65.55 C ATOM 497 CD1 LEU A 31 -0.034 -35.511 -11.889 1.00 74.41 C ATOM 498 CD2 LEU A 31 -2.244 -36.484 -11.236 1.00 31.41 C ATOM 0 H LEU A 31 -0.317 -38.906 -9.536 1.00 11.41 H new ATOM 0 HA LEU A 31 -1.971 -39.456 -11.931 1.00 25.02 H new ATOM 0 HB2 LEU A 31 0.677 -38.087 -12.091 1.00 72.23 H new ATOM 0 HB3 LEU A 31 -0.758 -37.866 -13.072 1.00 72.23 H new ATOM 0 HG LEU A 31 -0.386 -36.826 -10.248 1.00 65.55 H new ATOM 0 HD11 LEU A 31 -0.282 -34.612 -11.325 1.00 74.41 H new ATOM 0 HD12 LEU A 31 1.044 -35.670 -11.862 1.00 74.41 H new ATOM 0 HD13 LEU A 31 -0.357 -35.391 -12.923 1.00 74.41 H new ATOM 0 HD21 LEU A 31 -2.462 -35.572 -10.681 1.00 31.41 H new ATOM 0 HD22 LEU A 31 -2.622 -36.388 -12.254 1.00 31.41 H new ATOM 0 HD23 LEU A 31 -2.727 -37.330 -10.748 1.00 31.41 H new ATOM 510 N PRO A 32 -0.237 -40.971 -13.072 1.00 34.14 N ATOM 511 CA PRO A 32 0.560 -42.099 -13.563 1.00 42.51 C ATOM 512 C PRO A 32 2.018 -41.719 -13.797 1.00 5.22 C ATOM 513 O PRO A 32 2.389 -40.545 -13.781 1.00 44.15 O ATOM 514 CB PRO A 32 -0.117 -42.461 -14.887 1.00 64.33 C ATOM 515 CG PRO A 32 -0.778 -41.203 -15.332 1.00 43.51 C ATOM 516 CD PRO A 32 -1.200 -40.491 -14.077 1.00 13.22 C ATOM 0 HA PRO A 32 0.591 -42.919 -12.846 1.00 42.51 H new ATOM 0 HB2 PRO A 32 0.610 -42.807 -15.622 1.00 64.33 H new ATOM 0 HB3 PRO A 32 -0.842 -43.264 -14.754 1.00 64.33 H new ATOM 0 HG2 PRO A 32 -0.094 -40.589 -15.918 1.00 43.51 H new ATOM 0 HG3 PRO A 32 -1.638 -41.417 -15.967 1.00 43.51 H new ATOM 0 HD2 PRO A 32 -1.153 -39.408 -14.194 1.00 13.22 H new ATOM 0 HD3 PRO A 32 -2.225 -40.737 -13.801 1.00 13.22 H new ATOM 524 N PRO A 33 2.867 -42.734 -14.019 1.00 12.32 N ATOM 525 CA PRO A 33 4.298 -42.530 -14.261 1.00 62.31 C ATOM 526 C PRO A 33 4.571 -41.878 -15.612 1.00 54.02 C ATOM 527 O PRO A 33 5.639 -41.309 -15.832 1.00 42.01 O ATOM 528 CB PRO A 33 4.869 -43.950 -14.228 1.00 72.31 C ATOM 529 CG PRO A 33 3.723 -44.827 -14.600 1.00 25.52 C ATOM 530 CD PRO A 33 2.494 -44.158 -14.051 1.00 50.12 C ATOM 0 HA PRO A 33 4.744 -41.859 -13.527 1.00 62.31 H new ATOM 0 HB2 PRO A 33 5.696 -44.061 -14.929 1.00 72.31 H new ATOM 0 HB3 PRO A 33 5.254 -44.199 -13.239 1.00 72.31 H new ATOM 0 HG2 PRO A 33 3.655 -44.942 -15.682 1.00 25.52 H new ATOM 0 HG3 PRO A 33 3.844 -45.826 -14.181 1.00 25.52 H new ATOM 0 HD2 PRO A 33 1.625 -44.332 -14.685 1.00 50.12 H new ATOM 0 HD3 PRO A 33 2.243 -44.530 -13.058 1.00 50.12 H new ATOM 538 N GLU A 34 3.597 -41.965 -16.513 1.00 51.51 N ATOM 539 CA GLU A 34 3.734 -41.382 -17.843 1.00 35.21 C ATOM 540 C GLU A 34 3.634 -39.861 -17.783 1.00 41.44 C ATOM 541 O GLU A 34 3.976 -39.167 -18.740 1.00 63.44 O ATOM 542 CB GLU A 34 2.660 -41.938 -18.780 1.00 75.23 C ATOM 543 CG GLU A 34 2.689 -41.326 -20.170 1.00 55.44 C ATOM 544 CD GLU A 34 4.030 -41.498 -20.856 1.00 72.32 C ATOM 545 OE1 GLU A 34 4.735 -42.480 -20.540 1.00 50.41 O ATOM 546 OE2 GLU A 34 4.375 -40.653 -21.708 1.00 74.12 O ATOM 0 H GLU A 34 2.706 -42.433 -16.347 1.00 51.51 H new ATOM 0 HA GLU A 34 4.717 -41.649 -18.230 1.00 35.21 H new ATOM 0 HB2 GLU A 34 2.787 -43.017 -18.865 1.00 75.23 H new ATOM 0 HB3 GLU A 34 1.679 -41.766 -18.337 1.00 75.23 H new ATOM 0 HG2 GLU A 34 1.911 -41.784 -20.781 1.00 55.44 H new ATOM 0 HG3 GLU A 34 2.455 -40.264 -20.100 1.00 55.44 H new ATOM 553 N GLY A 35 3.162 -39.348 -16.651 1.00 51.10 N ATOM 554 CA GLY A 35 3.025 -37.913 -16.487 1.00 53.40 C ATOM 555 C GLY A 35 4.255 -37.279 -15.868 1.00 60.50 C ATOM 556 O GLY A 35 4.641 -36.169 -16.234 1.00 21.11 O ATOM 0 H GLY A 35 2.872 -39.901 -15.844 1.00 51.10 H new ATOM 0 HA2 GLY A 35 2.835 -37.456 -17.458 1.00 53.40 H new ATOM 0 HA3 GLY A 35 2.158 -37.703 -15.861 1.00 53.40 H new ATOM 560 N TYR A 36 4.872 -37.986 -14.927 1.00 15.41 N ATOM 561 CA TYR A 36 6.063 -37.484 -14.252 1.00 61.15 C ATOM 562 C TYR A 36 7.167 -37.172 -15.258 1.00 25.32 C ATOM 563 O TYR A 36 7.917 -36.209 -15.096 1.00 31.12 O ATOM 564 CB TYR A 36 6.563 -38.505 -13.229 1.00 41.00 C ATOM 565 CG TYR A 36 5.512 -38.919 -12.224 1.00 4.25 C ATOM 566 CD1 TYR A 36 4.546 -38.020 -11.789 1.00 70.21 C ATOM 567 CD2 TYR A 36 5.486 -40.209 -11.709 1.00 32.24 C ATOM 568 CE1 TYR A 36 3.585 -38.394 -10.870 1.00 12.10 C ATOM 569 CE2 TYR A 36 4.527 -40.592 -10.790 1.00 64.12 C ATOM 570 CZ TYR A 36 3.579 -39.681 -10.374 1.00 5.23 C ATOM 571 OH TYR A 36 2.623 -40.057 -9.459 1.00 72.41 O ATOM 0 H TYR A 36 4.567 -38.908 -14.615 1.00 15.41 H new ATOM 0 HA TYR A 36 5.796 -36.562 -13.735 1.00 61.15 H new ATOM 0 HB2 TYR A 36 6.919 -39.390 -13.756 1.00 41.00 H new ATOM 0 HB3 TYR A 36 7.417 -38.086 -12.697 1.00 41.00 H new ATOM 0 HD1 TYR A 36 4.547 -37.012 -12.176 1.00 70.21 H new ATOM 0 HD2 TYR A 36 6.228 -40.925 -12.032 1.00 32.24 H new ATOM 0 HE1 TYR A 36 2.842 -37.682 -10.541 1.00 12.10 H new ATOM 0 HE2 TYR A 36 4.520 -41.599 -10.400 1.00 64.12 H new ATOM 0 HH TYR A 36 1.924 -40.574 -9.910 1.00 72.41 H new ATOM 581 N VAL A 37 7.261 -37.995 -16.298 1.00 3.31 N ATOM 582 CA VAL A 37 8.272 -37.807 -17.332 1.00 21.32 C ATOM 583 C VAL A 37 8.166 -36.422 -17.959 1.00 43.12 C ATOM 584 O VAL A 37 9.140 -35.898 -18.501 1.00 54.11 O ATOM 585 CB VAL A 37 8.147 -38.871 -18.439 1.00 33.13 C ATOM 586 CG1 VAL A 37 6.810 -38.743 -19.153 1.00 71.41 C ATOM 587 CG2 VAL A 37 9.300 -38.753 -19.423 1.00 62.34 C ATOM 0 H VAL A 37 6.650 -38.798 -16.447 1.00 3.31 H new ATOM 0 HA VAL A 37 9.243 -37.910 -16.848 1.00 21.32 H new ATOM 0 HB VAL A 37 8.193 -39.858 -17.978 1.00 33.13 H new ATOM 0 HG11 VAL A 37 6.739 -39.502 -19.932 1.00 71.41 H new ATOM 0 HG12 VAL A 37 6.000 -38.881 -18.437 1.00 71.41 H new ATOM 0 HG13 VAL A 37 6.731 -37.753 -19.603 1.00 71.41 H new ATOM 0 HG21 VAL A 37 9.196 -39.512 -20.198 1.00 62.34 H new ATOM 0 HG22 VAL A 37 9.288 -37.764 -19.880 1.00 62.34 H new ATOM 0 HG23 VAL A 37 10.244 -38.899 -18.897 1.00 62.34 H new ATOM 597 N VAL A 38 6.977 -35.832 -17.882 1.00 24.52 N ATOM 598 CA VAL A 38 6.744 -34.506 -18.441 1.00 32.23 C ATOM 599 C VAL A 38 6.951 -33.422 -17.389 1.00 32.42 C ATOM 600 O VAL A 38 7.201 -32.263 -17.717 1.00 40.35 O ATOM 601 CB VAL A 38 5.320 -34.382 -19.016 1.00 65.43 C ATOM 602 CG1 VAL A 38 5.105 -33.001 -19.615 1.00 13.22 C ATOM 603 CG2 VAL A 38 5.069 -35.467 -20.053 1.00 44.21 C ATOM 0 H VAL A 38 6.160 -36.252 -17.438 1.00 24.52 H new ATOM 0 HA VAL A 38 7.466 -34.370 -19.246 1.00 32.23 H new ATOM 0 HB VAL A 38 4.605 -34.515 -18.204 1.00 65.43 H new ATOM 0 HG11 VAL A 38 4.094 -32.932 -20.016 1.00 13.22 H new ATOM 0 HG12 VAL A 38 5.241 -32.244 -18.843 1.00 13.22 H new ATOM 0 HG13 VAL A 38 5.825 -32.836 -20.416 1.00 13.22 H new ATOM 0 HG21 VAL A 38 4.059 -35.365 -20.449 1.00 44.21 H new ATOM 0 HG22 VAL A 38 5.789 -35.367 -20.865 1.00 44.21 H new ATOM 0 HG23 VAL A 38 5.179 -36.447 -19.588 1.00 44.21 H new ATOM 613 N VAL A 39 6.845 -33.808 -16.121 1.00 3.10 N ATOM 614 CA VAL A 39 7.023 -32.869 -15.019 1.00 74.53 C ATOM 615 C VAL A 39 8.498 -32.701 -14.673 1.00 34.45 C ATOM 616 O VAL A 39 8.981 -31.583 -14.494 1.00 21.43 O ATOM 617 CB VAL A 39 6.260 -33.329 -13.762 1.00 62.04 C ATOM 618 CG1 VAL A 39 6.450 -32.333 -12.629 1.00 11.04 C ATOM 619 CG2 VAL A 39 4.784 -33.519 -14.075 1.00 54.40 C ATOM 0 H VAL A 39 6.637 -34.764 -15.832 1.00 3.10 H new ATOM 0 HA VAL A 39 6.620 -31.912 -15.350 1.00 74.53 H new ATOM 0 HB VAL A 39 6.666 -34.289 -13.442 1.00 62.04 H new ATOM 0 HG11 VAL A 39 5.904 -32.674 -11.749 1.00 11.04 H new ATOM 0 HG12 VAL A 39 7.510 -32.252 -12.389 1.00 11.04 H new ATOM 0 HG13 VAL A 39 6.072 -31.357 -12.935 1.00 11.04 H new ATOM 0 HG21 VAL A 39 4.260 -33.844 -13.176 1.00 54.40 H new ATOM 0 HG22 VAL A 39 4.361 -32.576 -14.420 1.00 54.40 H new ATOM 0 HG23 VAL A 39 4.671 -34.274 -14.853 1.00 54.40 H new ATOM 629 N VAL A 40 9.209 -33.820 -14.579 1.00 62.42 N ATOM 630 CA VAL A 40 10.631 -33.798 -14.255 1.00 54.34 C ATOM 631 C VAL A 40 11.386 -32.834 -15.164 1.00 70.52 C ATOM 632 O VAL A 40 12.395 -32.251 -14.767 1.00 52.45 O ATOM 633 CB VAL A 40 11.257 -35.200 -14.378 1.00 53.40 C ATOM 634 CG1 VAL A 40 12.702 -35.182 -13.905 1.00 21.33 C ATOM 635 CG2 VAL A 40 10.442 -36.217 -13.593 1.00 41.23 C ATOM 0 H VAL A 40 8.824 -34.753 -14.723 1.00 62.42 H new ATOM 0 HA VAL A 40 10.715 -33.461 -13.222 1.00 54.34 H new ATOM 0 HB VAL A 40 11.247 -35.494 -15.428 1.00 53.40 H new ATOM 0 HG11 VAL A 40 13.128 -36.181 -13.999 1.00 21.33 H new ATOM 0 HG12 VAL A 40 13.276 -34.484 -14.515 1.00 21.33 H new ATOM 0 HG13 VAL A 40 12.739 -34.868 -12.862 1.00 21.33 H new ATOM 0 HG21 VAL A 40 10.898 -37.202 -13.691 1.00 41.23 H new ATOM 0 HG22 VAL A 40 10.418 -35.931 -12.542 1.00 41.23 H new ATOM 0 HG23 VAL A 40 9.425 -36.248 -13.984 1.00 41.23 H new ATOM 645 N LYS A 41 10.891 -32.672 -16.387 1.00 1.15 N ATOM 646 CA LYS A 41 11.517 -31.778 -17.353 1.00 41.13 C ATOM 647 C LYS A 41 11.359 -30.321 -16.929 1.00 74.25 C ATOM 648 O LYS A 41 12.332 -29.571 -16.878 1.00 41.21 O ATOM 649 CB LYS A 41 10.906 -31.986 -18.741 1.00 42.30 C ATOM 650 CG LYS A 41 11.936 -32.249 -19.826 1.00 22.22 C ATOM 651 CD LYS A 41 12.100 -33.737 -20.089 1.00 45.32 C ATOM 652 CE LYS A 41 12.556 -34.477 -18.841 1.00 13.11 C ATOM 653 NZ LYS A 41 13.322 -35.709 -19.175 1.00 63.13 N ATOM 0 H LYS A 41 10.058 -33.149 -16.732 1.00 1.15 H new ATOM 0 HA LYS A 41 12.581 -32.013 -17.392 1.00 41.13 H new ATOM 0 HB2 LYS A 41 10.211 -32.825 -18.701 1.00 42.30 H new ATOM 0 HB3 LYS A 41 10.325 -31.103 -19.009 1.00 42.30 H new ATOM 0 HG2 LYS A 41 11.634 -31.747 -20.745 1.00 22.22 H new ATOM 0 HG3 LYS A 41 12.895 -31.823 -19.530 1.00 22.22 H new ATOM 0 HD2 LYS A 41 11.154 -34.153 -20.434 1.00 45.32 H new ATOM 0 HD3 LYS A 41 12.825 -33.888 -20.888 1.00 45.32 H new ATOM 0 HE2 LYS A 41 13.176 -33.817 -18.234 1.00 13.11 H new ATOM 0 HE3 LYS A 41 11.687 -34.742 -18.238 1.00 13.11 H new ATOM 0 HZ1 LYS A 41 13.615 -36.184 -18.298 1.00 63.13 H new ATOM 0 HZ2 LYS A 41 12.722 -36.350 -19.733 1.00 63.13 H new ATOM 0 HZ3 LYS A 41 14.165 -35.454 -19.728 1.00 63.13 H new ATOM 667 N ASN A 42 10.126 -29.929 -16.625 1.00 53.15 N ATOM 668 CA ASN A 42 9.841 -28.562 -16.205 1.00 14.21 C ATOM 669 C ASN A 42 10.380 -28.301 -14.802 1.00 12.42 C ATOM 670 O ASN A 42 10.646 -27.158 -14.430 1.00 41.41 O ATOM 671 CB ASN A 42 8.334 -28.299 -16.242 1.00 12.35 C ATOM 672 CG ASN A 42 7.674 -28.886 -17.474 1.00 41.34 C ATOM 673 OD1 ASN A 42 8.168 -28.728 -18.591 1.00 24.51 O ATOM 674 ND2 ASN A 42 6.551 -29.567 -17.277 1.00 2.41 N ATOM 0 H ASN A 42 9.309 -30.538 -16.662 1.00 53.15 H new ATOM 0 HA ASN A 42 10.339 -27.884 -16.898 1.00 14.21 H new ATOM 0 HB2 ASN A 42 7.872 -28.722 -15.350 1.00 12.35 H new ATOM 0 HB3 ASN A 42 8.155 -27.224 -16.215 1.00 12.35 H new ATOM 0 HD21 ASN A 42 6.062 -29.984 -18.069 1.00 2.41 H new ATOM 0 HD22 ASN A 42 6.178 -29.673 -16.334 1.00 2.41 H new ATOM 681 N VAL A 43 10.539 -29.369 -14.027 1.00 11.34 N ATOM 682 CA VAL A 43 11.048 -29.256 -12.665 1.00 20.00 C ATOM 683 C VAL A 43 12.565 -29.108 -12.656 1.00 43.41 C ATOM 684 O VAL A 43 13.140 -28.553 -11.720 1.00 72.12 O ATOM 685 CB VAL A 43 10.658 -30.481 -11.817 1.00 21.12 C ATOM 686 CG1 VAL A 43 11.243 -30.370 -10.417 1.00 65.13 C ATOM 687 CG2 VAL A 43 9.145 -30.630 -11.761 1.00 2.14 C ATOM 0 H VAL A 43 10.323 -30.322 -14.319 1.00 11.34 H new ATOM 0 HA VAL A 43 10.596 -28.364 -12.231 1.00 20.00 H new ATOM 0 HB VAL A 43 11.071 -31.373 -12.288 1.00 21.12 H new ATOM 0 HG11 VAL A 43 10.957 -31.244 -9.833 1.00 65.13 H new ATOM 0 HG12 VAL A 43 12.330 -30.316 -10.480 1.00 65.13 H new ATOM 0 HG13 VAL A 43 10.862 -29.470 -9.934 1.00 65.13 H new ATOM 0 HG21 VAL A 43 8.887 -31.501 -11.158 1.00 2.14 H new ATOM 0 HG22 VAL A 43 8.708 -29.737 -11.315 1.00 2.14 H new ATOM 0 HG23 VAL A 43 8.755 -30.760 -12.770 1.00 2.14 H new ATOM 697 N GLY A 44 13.210 -29.607 -13.707 1.00 33.15 N ATOM 698 CA GLY A 44 14.655 -29.520 -13.800 1.00 42.23 C ATOM 699 C GLY A 44 15.109 -28.492 -14.818 1.00 62.42 C ATOM 700 O GLY A 44 16.294 -28.166 -14.896 1.00 3.33 O ATOM 0 H GLY A 44 12.757 -30.070 -14.495 1.00 33.15 H new ATOM 0 HA2 GLY A 44 15.064 -29.264 -12.823 1.00 42.23 H new ATOM 0 HA3 GLY A 44 15.058 -30.496 -14.069 1.00 42.23 H new ATOM 704 N LEU A 45 14.166 -27.982 -15.602 1.00 60.45 N ATOM 705 CA LEU A 45 14.475 -26.987 -16.623 1.00 3.42 C ATOM 706 C LEU A 45 14.513 -25.585 -16.022 1.00 70.11 C ATOM 707 O LEU A 45 15.036 -24.651 -16.630 1.00 4.42 O ATOM 708 CB LEU A 45 13.442 -27.044 -17.749 1.00 13.40 C ATOM 709 CG LEU A 45 13.739 -28.024 -18.884 1.00 43.11 C ATOM 710 CD1 LEU A 45 12.450 -28.471 -19.555 1.00 52.01 C ATOM 711 CD2 LEU A 45 14.681 -27.393 -19.900 1.00 75.42 C ATOM 0 H LEU A 45 13.181 -28.241 -15.550 1.00 60.45 H new ATOM 0 HA LEU A 45 15.460 -27.215 -17.031 1.00 3.42 H new ATOM 0 HB2 LEU A 45 12.476 -27.303 -17.316 1.00 13.40 H new ATOM 0 HB3 LEU A 45 13.343 -26.045 -18.175 1.00 13.40 H new ATOM 0 HG LEU A 45 14.227 -28.902 -18.462 1.00 43.11 H new ATOM 0 HD11 LEU A 45 12.682 -29.168 -20.360 1.00 52.01 H new ATOM 0 HD12 LEU A 45 11.810 -28.963 -18.822 1.00 52.01 H new ATOM 0 HD13 LEU A 45 11.933 -27.603 -19.964 1.00 52.01 H new ATOM 0 HD21 LEU A 45 14.882 -28.104 -20.701 1.00 75.42 H new ATOM 0 HD22 LEU A 45 14.220 -26.498 -20.317 1.00 75.42 H new ATOM 0 HD23 LEU A 45 15.617 -27.124 -19.410 1.00 75.42 H new ATOM 723 N THR A 46 13.956 -25.445 -14.823 1.00 30.40 N ATOM 724 CA THR A 46 13.927 -24.159 -14.139 1.00 54.21 C ATOM 725 C THR A 46 15.292 -23.815 -13.556 1.00 3.22 C ATOM 726 O THR A 46 15.810 -22.717 -13.765 1.00 54.32 O ATOM 727 CB THR A 46 12.880 -24.147 -13.008 1.00 64.35 C ATOM 728 OG1 THR A 46 11.806 -25.039 -13.326 1.00 60.11 O ATOM 729 CG2 THR A 46 12.334 -22.744 -12.791 1.00 22.32 C ATOM 0 H THR A 46 13.519 -26.208 -14.306 1.00 30.40 H new ATOM 0 HA THR A 46 13.655 -23.411 -14.884 1.00 54.21 H new ATOM 0 HB THR A 46 13.365 -24.476 -12.089 1.00 64.35 H new ATOM 0 HG1 THR A 46 11.146 -25.027 -12.602 1.00 60.11 H new ATOM 0 HG21 THR A 46 11.597 -22.761 -11.988 1.00 22.32 H new ATOM 0 HG22 THR A 46 13.150 -22.074 -12.521 1.00 22.32 H new ATOM 0 HG23 THR A 46 11.863 -22.391 -13.708 1.00 22.32 H new ATOM 737 N LEU A 47 15.873 -24.759 -12.824 1.00 34.32 N ATOM 738 CA LEU A 47 17.180 -24.556 -12.210 1.00 64.32 C ATOM 739 C LEU A 47 18.241 -24.275 -13.270 1.00 2.04 C ATOM 740 O LEU A 47 19.048 -23.357 -13.125 1.00 45.22 O ATOM 741 CB LEU A 47 17.577 -25.785 -11.389 1.00 54.41 C ATOM 742 CG LEU A 47 17.593 -27.117 -12.139 1.00 55.13 C ATOM 743 CD1 LEU A 47 19.001 -27.450 -12.605 1.00 63.32 C ATOM 744 CD2 LEU A 47 17.042 -28.231 -11.260 1.00 51.54 C ATOM 0 H LEU A 47 15.459 -25.673 -12.641 1.00 34.32 H new ATOM 0 HA LEU A 47 17.113 -23.692 -11.549 1.00 64.32 H new ATOM 0 HB2 LEU A 47 18.570 -25.614 -10.973 1.00 54.41 H new ATOM 0 HB3 LEU A 47 16.889 -25.873 -10.548 1.00 54.41 H new ATOM 0 HG LEU A 47 16.954 -27.025 -13.017 1.00 55.13 H new ATOM 0 HD11 LEU A 47 18.993 -28.401 -13.137 1.00 63.32 H new ATOM 0 HD12 LEU A 47 19.359 -26.665 -13.271 1.00 63.32 H new ATOM 0 HD13 LEU A 47 19.662 -27.523 -11.742 1.00 63.32 H new ATOM 0 HD21 LEU A 47 17.061 -29.172 -11.810 1.00 51.54 H new ATOM 0 HD22 LEU A 47 17.654 -28.323 -10.363 1.00 51.54 H new ATOM 0 HD23 LEU A 47 16.016 -27.997 -10.977 1.00 51.54 H new ATOM 756 N ARG A 48 18.232 -25.070 -14.335 1.00 11.14 N ATOM 757 CA ARG A 48 19.192 -24.906 -15.419 1.00 5.41 C ATOM 758 C ARG A 48 18.944 -23.602 -16.172 1.00 63.13 C ATOM 759 O ARG A 48 19.778 -23.161 -16.964 1.00 21.04 O ATOM 760 CB ARG A 48 19.111 -26.089 -16.385 1.00 15.00 C ATOM 761 CG ARG A 48 17.890 -26.053 -17.290 1.00 11.00 C ATOM 762 CD ARG A 48 17.803 -27.298 -18.158 1.00 63.43 C ATOM 763 NE ARG A 48 19.088 -27.631 -18.767 1.00 62.43 N ATOM 764 CZ ARG A 48 19.637 -26.931 -19.754 1.00 24.53 C ATOM 765 NH1 ARG A 48 19.017 -25.865 -20.240 1.00 21.24 N ATOM 766 NH2 ARG A 48 20.810 -27.298 -20.256 1.00 11.52 N ATOM 0 H ARG A 48 17.570 -25.834 -14.470 1.00 11.14 H new ATOM 0 HA ARG A 48 20.191 -24.870 -14.984 1.00 5.41 H new ATOM 0 HB2 ARG A 48 20.010 -26.106 -17.002 1.00 15.00 H new ATOM 0 HB3 ARG A 48 19.101 -27.016 -15.811 1.00 15.00 H new ATOM 0 HG2 ARG A 48 16.989 -25.967 -16.683 1.00 11.00 H new ATOM 0 HG3 ARG A 48 17.932 -25.168 -17.925 1.00 11.00 H new ATOM 0 HD2 ARG A 48 17.460 -28.138 -17.554 1.00 63.43 H new ATOM 0 HD3 ARG A 48 17.060 -27.143 -18.941 1.00 63.43 H new ATOM 0 HE ARG A 48 19.592 -28.445 -18.415 1.00 62.43 H new ATOM 0 HH11 ARG A 48 18.116 -25.580 -19.856 1.00 21.24 H new ATOM 0 HH12 ARG A 48 19.441 -25.330 -20.998 1.00 21.24 H new ATOM 0 HH21 ARG A 48 21.290 -28.118 -19.884 1.00 11.52 H new ATOM 0 HH22 ARG A 48 21.231 -26.760 -21.014 1.00 11.52 H new ATOM 780 N LYS A 49 17.792 -22.990 -15.921 1.00 41.14 N ATOM 781 CA LYS A 49 17.433 -21.737 -16.574 1.00 51.32 C ATOM 782 C LYS A 49 17.765 -20.544 -15.683 1.00 63.21 C ATOM 783 O LYS A 49 17.956 -19.428 -16.168 1.00 24.02 O ATOM 784 CB LYS A 49 15.942 -21.728 -16.922 1.00 5.54 C ATOM 785 CG LYS A 49 15.518 -20.527 -17.749 1.00 1.51 C ATOM 786 CD LYS A 49 14.147 -20.734 -18.370 1.00 40.32 C ATOM 787 CE LYS A 49 13.039 -20.244 -17.451 1.00 34.54 C ATOM 788 NZ LYS A 49 12.798 -18.783 -17.601 1.00 0.41 N ATOM 0 H LYS A 49 17.090 -23.342 -15.269 1.00 41.14 H new ATOM 0 HA LYS A 49 18.015 -21.655 -17.492 1.00 51.32 H new ATOM 0 HB2 LYS A 49 15.700 -22.639 -17.469 1.00 5.54 H new ATOM 0 HB3 LYS A 49 15.362 -21.746 -15.999 1.00 5.54 H new ATOM 0 HG2 LYS A 49 15.503 -19.637 -17.119 1.00 1.51 H new ATOM 0 HG3 LYS A 49 16.251 -20.348 -18.535 1.00 1.51 H new ATOM 0 HD2 LYS A 49 14.093 -20.204 -19.321 1.00 40.32 H new ATOM 0 HD3 LYS A 49 14.000 -21.792 -18.586 1.00 40.32 H new ATOM 0 HE2 LYS A 49 12.120 -20.788 -17.669 1.00 34.54 H new ATOM 0 HE3 LYS A 49 13.302 -20.464 -16.416 1.00 34.54 H new ATOM 0 HZ1 LYS A 49 12.036 -18.489 -16.958 1.00 0.41 H new ATOM 0 HZ2 LYS A 49 13.668 -18.262 -17.368 1.00 0.41 H new ATOM 0 HZ3 LYS A 49 12.522 -18.576 -18.582 1.00 0.41 H new ATOM 802 N LEU A 50 17.834 -20.787 -14.379 1.00 21.21 N ATOM 803 CA LEU A 50 18.145 -19.733 -13.420 1.00 24.24 C ATOM 804 C LEU A 50 19.605 -19.807 -12.984 1.00 44.23 C ATOM 805 O LEU A 50 20.120 -18.889 -12.345 1.00 14.40 O ATOM 806 CB LEU A 50 17.231 -19.842 -12.198 1.00 41.10 C ATOM 807 CG LEU A 50 17.474 -21.042 -11.282 1.00 61.25 C ATOM 808 CD1 LEU A 50 18.535 -20.715 -10.243 1.00 50.32 C ATOM 809 CD2 LEU A 50 16.179 -21.470 -10.608 1.00 54.24 C ATOM 0 H LEU A 50 17.679 -21.705 -13.961 1.00 21.21 H new ATOM 0 HA LEU A 50 17.978 -18.772 -13.907 1.00 24.24 H new ATOM 0 HB2 LEU A 50 17.338 -18.932 -11.607 1.00 41.10 H new ATOM 0 HB3 LEU A 50 16.198 -19.878 -12.544 1.00 41.10 H new ATOM 0 HG LEU A 50 17.835 -21.871 -11.891 1.00 61.25 H new ATOM 0 HD11 LEU A 50 18.694 -21.581 -9.600 1.00 50.32 H new ATOM 0 HD12 LEU A 50 19.468 -20.459 -10.744 1.00 50.32 H new ATOM 0 HD13 LEU A 50 18.204 -19.871 -9.638 1.00 50.32 H new ATOM 0 HD21 LEU A 50 16.371 -22.325 -9.960 1.00 54.24 H new ATOM 0 HD22 LEU A 50 15.788 -20.644 -10.013 1.00 54.24 H new ATOM 0 HD23 LEU A 50 15.448 -21.747 -11.367 1.00 54.24 H new ATOM 821 N ILE A 51 20.268 -20.903 -13.337 1.00 32.43 N ATOM 822 CA ILE A 51 21.669 -21.095 -12.985 1.00 44.33 C ATOM 823 C ILE A 51 22.553 -20.052 -13.661 1.00 50.24 C ATOM 824 O ILE A 51 23.592 -19.664 -13.129 1.00 61.01 O ATOM 825 CB ILE A 51 22.161 -22.500 -13.378 1.00 25.32 C ATOM 826 CG1 ILE A 51 21.812 -23.511 -12.283 1.00 41.23 C ATOM 827 CG2 ILE A 51 23.661 -22.484 -13.633 1.00 23.45 C ATOM 828 CD1 ILE A 51 21.602 -24.916 -12.803 1.00 12.20 C ATOM 0 H ILE A 51 19.857 -21.672 -13.867 1.00 32.43 H new ATOM 0 HA ILE A 51 21.741 -20.983 -11.903 1.00 44.33 H new ATOM 0 HB ILE A 51 21.659 -22.801 -14.298 1.00 25.32 H new ATOM 0 HG12 ILE A 51 22.611 -23.522 -11.542 1.00 41.23 H new ATOM 0 HG13 ILE A 51 20.907 -23.183 -11.771 1.00 41.23 H new ATOM 0 HG21 ILE A 51 23.994 -23.484 -13.910 1.00 23.45 H new ATOM 0 HG22 ILE A 51 23.885 -21.790 -14.443 1.00 23.45 H new ATOM 0 HG23 ILE A 51 24.180 -22.166 -12.729 1.00 23.45 H new ATOM 0 HD11 ILE A 51 21.358 -25.579 -11.973 1.00 12.20 H new ATOM 0 HD12 ILE A 51 20.783 -24.919 -13.522 1.00 12.20 H new ATOM 0 HD13 ILE A 51 22.513 -25.264 -13.289 1.00 12.20 H new ATOM 840 N GLY A 52 22.131 -19.600 -14.838 1.00 51.45 N ATOM 841 CA GLY A 52 22.894 -18.604 -15.568 1.00 24.12 C ATOM 842 C GLY A 52 22.668 -17.200 -15.043 1.00 32.44 C ATOM 843 O GLY A 52 23.236 -16.238 -15.558 1.00 64.02 O ATOM 0 H GLY A 52 21.274 -19.906 -15.299 1.00 51.45 H new ATOM 0 HA2 GLY A 52 23.955 -18.846 -15.505 1.00 24.12 H new ATOM 0 HA3 GLY A 52 22.621 -18.643 -16.622 1.00 24.12 H new ATOM 847 N SER A 53 21.833 -17.082 -14.015 1.00 23.32 N ATOM 848 CA SER A 53 21.528 -15.785 -13.423 1.00 2.10 C ATOM 849 C SER A 53 22.462 -15.489 -12.253 1.00 54.51 C ATOM 850 O SER A 53 22.776 -14.332 -11.972 1.00 14.21 O ATOM 851 CB SER A 53 20.073 -15.745 -12.952 1.00 2.00 C ATOM 852 OG SER A 53 19.822 -14.590 -12.170 1.00 32.42 O ATOM 0 H SER A 53 21.356 -17.869 -13.575 1.00 23.32 H new ATOM 0 HA SER A 53 21.676 -15.021 -14.186 1.00 2.10 H new ATOM 0 HB2 SER A 53 19.408 -15.755 -13.815 1.00 2.00 H new ATOM 0 HB3 SER A 53 19.852 -16.638 -12.368 1.00 2.00 H new ATOM 0 HG SER A 53 19.406 -14.853 -11.322 1.00 32.42 H new ATOM 858 N VAL A 54 22.902 -16.543 -11.574 1.00 2.11 N ATOM 859 CA VAL A 54 23.801 -16.398 -10.435 1.00 14.52 C ATOM 860 C VAL A 54 25.251 -16.627 -10.846 1.00 34.23 C ATOM 861 O VAL A 54 26.162 -16.532 -10.024 1.00 21.25 O ATOM 862 CB VAL A 54 23.437 -17.379 -9.305 1.00 2.24 C ATOM 863 CG1 VAL A 54 23.945 -16.864 -7.966 1.00 62.14 C ATOM 864 CG2 VAL A 54 21.934 -17.608 -9.261 1.00 51.32 C ATOM 0 H VAL A 54 22.651 -17.507 -11.793 1.00 2.11 H new ATOM 0 HA VAL A 54 23.688 -15.377 -10.070 1.00 14.52 H new ATOM 0 HB VAL A 54 23.921 -18.334 -9.508 1.00 2.24 H new ATOM 0 HG11 VAL A 54 23.678 -17.570 -7.180 1.00 62.14 H new ATOM 0 HG12 VAL A 54 25.029 -16.757 -8.005 1.00 62.14 H new ATOM 0 HG13 VAL A 54 23.492 -15.896 -7.753 1.00 62.14 H new ATOM 0 HG21 VAL A 54 21.695 -18.304 -8.457 1.00 51.32 H new ATOM 0 HG22 VAL A 54 21.427 -16.660 -9.083 1.00 51.32 H new ATOM 0 HG23 VAL A 54 21.601 -18.025 -10.212 1.00 51.32 H new ATOM 874 N ASP A 55 25.457 -16.929 -12.123 1.00 31.33 N ATOM 875 CA ASP A 55 26.797 -17.171 -12.644 1.00 61.23 C ATOM 876 C ASP A 55 27.458 -15.864 -13.071 1.00 62.42 C ATOM 877 O ASP A 55 28.684 -15.746 -13.065 1.00 34.10 O ATOM 878 CB ASP A 55 26.740 -18.139 -13.828 1.00 1.35 C ATOM 879 CG ASP A 55 28.056 -18.856 -14.053 1.00 24.34 C ATOM 880 OD1 ASP A 55 29.100 -18.338 -13.602 1.00 33.11 O ATOM 881 OD2 ASP A 55 28.043 -19.937 -14.679 1.00 3.53 O ATOM 0 H ASP A 55 24.713 -17.012 -12.816 1.00 31.33 H new ATOM 0 HA ASP A 55 27.395 -17.617 -11.849 1.00 61.23 H new ATOM 0 HB2 ASP A 55 25.954 -18.874 -13.655 1.00 1.35 H new ATOM 0 HB3 ASP A 55 26.470 -17.590 -14.730 1.00 1.35 H new ATOM 886 N ASP A 56 26.639 -14.887 -13.442 1.00 50.24 N ATOM 887 CA ASP A 56 27.144 -13.588 -13.873 1.00 31.13 C ATOM 888 C ASP A 56 27.670 -12.789 -12.685 1.00 14.45 C ATOM 889 O ASP A 56 28.279 -11.732 -12.855 1.00 3.15 O ATOM 890 CB ASP A 56 26.044 -12.801 -14.587 1.00 2.53 C ATOM 891 CG ASP A 56 26.580 -11.972 -15.738 1.00 33.20 C ATOM 892 OD1 ASP A 56 27.494 -12.453 -16.439 1.00 43.10 O ATOM 893 OD2 ASP A 56 26.085 -10.843 -15.937 1.00 52.15 O ATOM 0 H ASP A 56 25.622 -14.969 -13.453 1.00 50.24 H new ATOM 0 HA ASP A 56 27.967 -13.757 -14.567 1.00 31.13 H new ATOM 0 HB2 ASP A 56 25.290 -13.494 -14.962 1.00 2.53 H new ATOM 0 HB3 ASP A 56 25.547 -12.146 -13.872 1.00 2.53 H new ATOM 898 N LEU A 57 27.429 -13.299 -11.482 1.00 10.21 N ATOM 899 CA LEU A 57 27.877 -12.632 -10.264 1.00 63.12 C ATOM 900 C LEU A 57 28.862 -13.507 -9.495 1.00 42.14 C ATOM 901 O LEU A 57 29.488 -13.058 -8.534 1.00 65.42 O ATOM 902 CB LEU A 57 26.680 -12.291 -9.376 1.00 12.52 C ATOM 903 CG LEU A 57 25.581 -13.351 -9.294 1.00 12.41 C ATOM 904 CD1 LEU A 57 25.263 -13.679 -7.843 1.00 62.24 C ATOM 905 CD2 LEU A 57 24.330 -12.880 -10.022 1.00 44.12 C ATOM 0 H LEU A 57 26.926 -14.172 -11.324 1.00 10.21 H new ATOM 0 HA LEU A 57 28.384 -11.710 -10.549 1.00 63.12 H new ATOM 0 HB2 LEU A 57 27.045 -12.096 -8.368 1.00 12.52 H new ATOM 0 HB3 LEU A 57 26.236 -11.364 -9.739 1.00 12.52 H new ATOM 0 HG LEU A 57 25.941 -14.258 -9.780 1.00 12.41 H new ATOM 0 HD11 LEU A 57 24.479 -14.435 -7.804 1.00 62.24 H new ATOM 0 HD12 LEU A 57 26.158 -14.059 -7.351 1.00 62.24 H new ATOM 0 HD13 LEU A 57 24.924 -12.778 -7.332 1.00 62.24 H new ATOM 0 HD21 LEU A 57 23.559 -13.647 -9.953 1.00 44.12 H new ATOM 0 HD22 LEU A 57 23.968 -11.959 -9.565 1.00 44.12 H new ATOM 0 HD23 LEU A 57 24.566 -12.696 -11.070 1.00 44.12 H new ATOM 917 N LEU A 58 28.996 -14.757 -9.926 1.00 1.43 N ATOM 918 CA LEU A 58 29.907 -15.695 -9.279 1.00 43.24 C ATOM 919 C LEU A 58 31.276 -15.059 -9.056 1.00 15.21 C ATOM 920 O LEU A 58 31.753 -14.935 -7.928 1.00 10.11 O ATOM 921 CB LEU A 58 30.053 -16.960 -10.126 1.00 74.42 C ATOM 922 CG LEU A 58 29.515 -18.250 -9.504 1.00 5.32 C ATOM 923 CD1 LEU A 58 29.804 -19.439 -10.407 1.00 12.20 C ATOM 924 CD2 LEU A 58 30.119 -18.467 -8.124 1.00 35.33 C ATOM 0 H LEU A 58 28.486 -15.144 -10.720 1.00 1.43 H new ATOM 0 HA LEU A 58 29.487 -15.960 -8.309 1.00 43.24 H new ATOM 0 HB2 LEU A 58 29.543 -16.798 -11.076 1.00 74.42 H new ATOM 0 HB3 LEU A 58 31.110 -17.102 -10.352 1.00 74.42 H new ATOM 0 HG LEU A 58 28.434 -18.156 -9.396 1.00 5.32 H new ATOM 0 HD11 LEU A 58 29.414 -20.348 -9.948 1.00 12.20 H new ATOM 0 HD12 LEU A 58 29.325 -19.286 -11.374 1.00 12.20 H new ATOM 0 HD13 LEU A 58 30.881 -19.536 -10.547 1.00 12.20 H new ATOM 0 HD21 LEU A 58 29.726 -19.389 -7.696 1.00 35.33 H new ATOM 0 HD22 LEU A 58 31.203 -18.540 -8.209 1.00 35.33 H new ATOM 0 HD23 LEU A 58 29.861 -17.628 -7.478 1.00 35.33 H new ATOM 936 N PRO A 59 31.922 -14.644 -10.155 1.00 40.53 N ATOM 937 CA PRO A 59 33.243 -14.011 -10.105 1.00 43.50 C ATOM 938 C PRO A 59 33.195 -12.617 -9.488 1.00 23.02 C ATOM 939 O PRO A 59 34.232 -12.009 -9.223 1.00 43.01 O ATOM 940 CB PRO A 59 33.654 -13.929 -11.577 1.00 71.34 C ATOM 941 CG PRO A 59 32.368 -13.915 -12.329 1.00 52.31 C ATOM 942 CD PRO A 59 31.413 -14.759 -11.532 1.00 73.51 C ATOM 0 HA PRO A 59 33.940 -14.573 -9.484 1.00 43.50 H new ATOM 0 HB2 PRO A 59 34.238 -13.031 -11.775 1.00 71.34 H new ATOM 0 HB3 PRO A 59 34.271 -14.780 -11.864 1.00 71.34 H new ATOM 0 HG2 PRO A 59 31.991 -12.898 -12.439 1.00 52.31 H new ATOM 0 HG3 PRO A 59 32.499 -14.317 -13.334 1.00 52.31 H new ATOM 0 HD2 PRO A 59 30.389 -14.393 -11.614 1.00 73.51 H new ATOM 0 HD3 PRO A 59 31.410 -15.794 -11.874 1.00 73.51 H new ATOM 950 N SER A 60 31.985 -12.117 -9.261 1.00 10.25 N ATOM 951 CA SER A 60 31.802 -10.793 -8.677 1.00 42.11 C ATOM 952 C SER A 60 31.245 -10.896 -7.261 1.00 1.35 C ATOM 953 O SER A 60 30.509 -10.019 -6.805 1.00 23.10 O ATOM 954 CB SER A 60 30.864 -9.954 -9.547 1.00 33.22 C ATOM 955 OG SER A 60 31.535 -9.462 -10.694 1.00 31.13 O ATOM 0 H SER A 60 31.117 -12.608 -9.472 1.00 10.25 H new ATOM 0 HA SER A 60 32.776 -10.306 -8.631 1.00 42.11 H new ATOM 0 HB2 SER A 60 30.010 -10.558 -9.853 1.00 33.22 H new ATOM 0 HB3 SER A 60 30.473 -9.120 -8.965 1.00 33.22 H new ATOM 0 HG SER A 60 30.913 -8.931 -11.234 1.00 31.13 H new ATOM 961 N LEU A 61 31.601 -11.972 -6.569 1.00 30.35 N ATOM 962 CA LEU A 61 31.138 -12.192 -5.203 1.00 15.32 C ATOM 963 C LEU A 61 32.313 -12.266 -4.234 1.00 64.41 C ATOM 964 O LEU A 61 33.451 -12.535 -4.620 1.00 43.31 O ATOM 965 CB LEU A 61 30.314 -13.478 -5.123 1.00 71.22 C ATOM 966 CG LEU A 61 28.848 -13.364 -5.545 1.00 25.24 C ATOM 967 CD1 LEU A 61 28.305 -14.723 -5.958 1.00 54.11 C ATOM 968 CD2 LEU A 61 28.014 -12.774 -4.417 1.00 73.14 C ATOM 0 H LEU A 61 32.209 -12.706 -6.931 1.00 30.35 H new ATOM 0 HA LEU A 61 30.510 -11.348 -4.919 1.00 15.32 H new ATOM 0 HB2 LEU A 61 30.793 -14.232 -5.747 1.00 71.22 H new ATOM 0 HB3 LEU A 61 30.348 -13.845 -4.097 1.00 71.22 H new ATOM 0 HG LEU A 61 28.787 -12.695 -6.404 1.00 25.24 H new ATOM 0 HD11 LEU A 61 27.261 -14.623 -6.255 1.00 54.11 H new ATOM 0 HD12 LEU A 61 28.886 -15.107 -6.797 1.00 54.11 H new ATOM 0 HD13 LEU A 61 28.379 -15.415 -5.119 1.00 54.11 H new ATOM 0 HD21 LEU A 61 26.974 -12.700 -4.734 1.00 73.14 H new ATOM 0 HD22 LEU A 61 28.081 -13.418 -3.540 1.00 73.14 H new ATOM 0 HD23 LEU A 61 28.389 -11.781 -4.168 1.00 73.14 H new ATOM 980 N PRO A 62 32.034 -12.026 -2.944 1.00 42.14 N ATOM 981 CA PRO A 62 33.055 -12.063 -1.893 1.00 42.12 C ATOM 982 C PRO A 62 33.557 -13.477 -1.622 1.00 64.03 C ATOM 983 O PRO A 62 32.982 -14.453 -2.103 1.00 35.12 O ATOM 984 CB PRO A 62 32.322 -11.512 -0.667 1.00 45.35 C ATOM 985 CG PRO A 62 30.884 -11.802 -0.924 1.00 51.40 C ATOM 986 CD PRO A 62 30.700 -11.700 -2.413 1.00 41.10 C ATOM 0 HA PRO A 62 33.943 -11.494 -2.167 1.00 42.12 H new ATOM 0 HB2 PRO A 62 32.665 -11.993 0.249 1.00 45.35 H new ATOM 0 HB3 PRO A 62 32.495 -10.442 -0.550 1.00 45.35 H new ATOM 0 HG2 PRO A 62 30.616 -12.796 -0.565 1.00 51.40 H new ATOM 0 HG3 PRO A 62 30.243 -11.091 -0.402 1.00 51.40 H new ATOM 0 HD2 PRO A 62 29.943 -12.397 -2.773 1.00 41.10 H new ATOM 0 HD3 PRO A 62 30.382 -10.701 -2.711 1.00 41.10 H new ATOM 994 N SER A 63 34.634 -13.580 -0.849 1.00 51.15 N ATOM 995 CA SER A 63 35.215 -14.875 -0.517 1.00 65.24 C ATOM 996 C SER A 63 34.439 -15.546 0.612 1.00 40.03 C ATOM 997 O SER A 63 34.997 -15.858 1.664 1.00 60.24 O ATOM 998 CB SER A 63 36.683 -14.711 -0.116 1.00 35.44 C ATOM 999 OG SER A 63 37.464 -14.266 -1.210 1.00 65.23 O ATOM 0 H SER A 63 35.121 -12.782 -0.441 1.00 51.15 H new ATOM 0 HA SER A 63 35.156 -15.510 -1.401 1.00 65.24 H new ATOM 0 HB2 SER A 63 36.761 -13.998 0.705 1.00 35.44 H new ATOM 0 HB3 SER A 63 37.072 -15.662 0.249 1.00 35.44 H new ATOM 0 HG SER A 63 38.397 -14.168 -0.927 1.00 65.23 H new ATOM 1005 N SER A 64 33.148 -15.764 0.385 1.00 34.31 N ATOM 1006 CA SER A 64 32.292 -16.394 1.384 1.00 61.32 C ATOM 1007 C SER A 64 31.003 -16.907 0.749 1.00 13.32 C ATOM 1008 O SER A 64 30.524 -17.992 1.079 1.00 0.31 O ATOM 1009 CB SER A 64 31.965 -15.404 2.503 1.00 34.22 C ATOM 1010 OG SER A 64 31.018 -15.950 3.406 1.00 42.21 O ATOM 0 H SER A 64 32.672 -15.514 -0.481 1.00 34.31 H new ATOM 0 HA SER A 64 32.831 -17.242 1.806 1.00 61.32 H new ATOM 0 HB2 SER A 64 32.877 -15.144 3.041 1.00 34.22 H new ATOM 0 HB3 SER A 64 31.573 -14.482 2.074 1.00 34.22 H new ATOM 0 HG SER A 64 30.827 -15.299 4.113 1.00 42.21 H new ATOM 1016 N SER A 65 30.445 -16.117 -0.164 1.00 25.35 N ATOM 1017 CA SER A 65 29.209 -16.488 -0.843 1.00 4.14 C ATOM 1018 C SER A 65 29.504 -17.126 -2.197 1.00 13.22 C ATOM 1019 O SER A 65 28.779 -18.012 -2.648 1.00 75.34 O ATOM 1020 CB SER A 65 28.316 -15.259 -1.028 1.00 65.50 C ATOM 1021 OG SER A 65 29.058 -14.161 -1.529 1.00 3.34 O ATOM 0 H SER A 65 30.829 -15.217 -0.450 1.00 25.35 H new ATOM 0 HA SER A 65 28.687 -17.217 -0.224 1.00 4.14 H new ATOM 0 HB2 SER A 65 27.503 -15.496 -1.714 1.00 65.50 H new ATOM 0 HB3 SER A 65 27.860 -14.990 -0.075 1.00 65.50 H new ATOM 0 HG SER A 65 28.575 -13.328 -1.345 1.00 3.34 H new ATOM 1027 N ARG A 66 30.573 -16.668 -2.840 1.00 0.14 N ATOM 1028 CA ARG A 66 30.964 -17.192 -4.143 1.00 33.02 C ATOM 1029 C ARG A 66 31.168 -18.703 -4.082 1.00 51.01 C ATOM 1030 O ARG A 66 30.634 -19.447 -4.906 1.00 2.30 O ATOM 1031 CB ARG A 66 32.246 -16.512 -4.626 1.00 22.30 C ATOM 1032 CG ARG A 66 32.845 -17.154 -5.867 1.00 25.35 C ATOM 1033 CD ARG A 66 34.193 -17.793 -5.568 1.00 12.14 C ATOM 1034 NE ARG A 66 35.123 -17.656 -6.685 1.00 62.41 N ATOM 1035 CZ ARG A 66 35.693 -16.507 -7.031 1.00 73.20 C ATOM 1036 NH1 ARG A 66 35.429 -15.401 -6.350 1.00 35.05 N ATOM 1037 NH2 ARG A 66 36.529 -16.463 -8.060 1.00 71.23 N ATOM 0 H ARG A 66 31.184 -15.935 -2.480 1.00 0.14 H new ATOM 0 HA ARG A 66 30.161 -16.979 -4.848 1.00 33.02 H new ATOM 0 HB2 ARG A 66 32.034 -15.464 -4.836 1.00 22.30 H new ATOM 0 HB3 ARG A 66 32.984 -16.534 -3.824 1.00 22.30 H new ATOM 0 HG2 ARG A 66 32.161 -17.909 -6.254 1.00 25.35 H new ATOM 0 HG3 ARG A 66 32.963 -16.401 -6.647 1.00 25.35 H new ATOM 0 HD2 ARG A 66 34.624 -17.332 -4.679 1.00 12.14 H new ATOM 0 HD3 ARG A 66 34.051 -18.850 -5.342 1.00 12.14 H new ATOM 0 HE ARG A 66 35.348 -18.489 -7.230 1.00 62.41 H new ATOM 0 HH11 ARG A 66 34.787 -15.431 -5.558 1.00 35.05 H new ATOM 0 HH12 ARG A 66 35.868 -14.520 -6.618 1.00 35.05 H new ATOM 0 HH21 ARG A 66 36.735 -17.312 -8.587 1.00 71.23 H new ATOM 0 HH22 ARG A 66 36.966 -15.580 -8.325 1.00 71.23 H new ATOM 1051 N THR A 67 31.945 -19.151 -3.101 1.00 31.23 N ATOM 1052 CA THR A 67 32.221 -20.572 -2.933 1.00 63.32 C ATOM 1053 C THR A 67 30.932 -21.365 -2.749 1.00 64.25 C ATOM 1054 O THR A 67 30.873 -22.552 -3.067 1.00 64.43 O ATOM 1055 CB THR A 67 33.144 -20.827 -1.726 1.00 14.41 C ATOM 1056 OG1 THR A 67 34.155 -19.815 -1.660 1.00 51.13 O ATOM 1057 CG2 THR A 67 33.796 -22.197 -1.823 1.00 20.42 C ATOM 0 H THR A 67 32.394 -18.550 -2.410 1.00 31.23 H new ATOM 0 HA THR A 67 32.723 -20.905 -3.841 1.00 63.32 H new ATOM 0 HB THR A 67 32.538 -20.794 -0.820 1.00 14.41 H new ATOM 0 HG1 THR A 67 34.736 -19.983 -0.889 1.00 51.13 H new ATOM 0 HG21 THR A 67 34.443 -22.354 -0.960 1.00 20.42 H new ATOM 0 HG22 THR A 67 33.024 -22.967 -1.843 1.00 20.42 H new ATOM 0 HG23 THR A 67 34.389 -22.254 -2.736 1.00 20.42 H new ATOM 1065 N GLU A 68 29.902 -20.701 -2.235 1.00 42.44 N ATOM 1066 CA GLU A 68 28.614 -21.345 -2.010 1.00 30.42 C ATOM 1067 C GLU A 68 27.890 -21.592 -3.331 1.00 24.15 C ATOM 1068 O GLU A 68 27.601 -22.734 -3.688 1.00 24.41 O ATOM 1069 CB GLU A 68 27.743 -20.486 -1.091 1.00 34.50 C ATOM 1070 CG GLU A 68 27.558 -21.075 0.298 1.00 44.32 C ATOM 1071 CD GLU A 68 28.877 -21.362 0.989 1.00 30.03 C ATOM 1072 OE1 GLU A 68 29.403 -22.482 0.823 1.00 32.35 O ATOM 1073 OE2 GLU A 68 29.383 -20.465 1.696 1.00 20.43 O ATOM 0 H GLU A 68 29.935 -19.717 -1.967 1.00 42.44 H new ATOM 0 HA GLU A 68 28.797 -22.307 -1.531 1.00 30.42 H new ATOM 0 HB2 GLU A 68 28.191 -19.497 -1.000 1.00 34.50 H new ATOM 0 HB3 GLU A 68 26.765 -20.352 -1.553 1.00 34.50 H new ATOM 0 HG2 GLU A 68 26.976 -20.384 0.907 1.00 44.32 H new ATOM 0 HG3 GLU A 68 26.982 -21.998 0.224 1.00 44.32 H new ATOM 1080 N ILE A 69 27.601 -20.513 -4.050 1.00 73.20 N ATOM 1081 CA ILE A 69 26.912 -20.612 -5.331 1.00 33.23 C ATOM 1082 C ILE A 69 27.685 -21.496 -6.304 1.00 52.50 C ATOM 1083 O ILE A 69 27.106 -22.347 -6.977 1.00 61.54 O ATOM 1084 CB ILE A 69 26.705 -19.225 -5.967 1.00 72.12 C ATOM 1085 CG1 ILE A 69 25.861 -18.339 -5.048 1.00 42.15 C ATOM 1086 CG2 ILE A 69 26.046 -19.362 -7.332 1.00 11.52 C ATOM 1087 CD1 ILE A 69 26.544 -17.045 -4.663 1.00 72.23 C ATOM 0 H ILE A 69 27.833 -19.561 -3.768 1.00 73.20 H new ATOM 0 HA ILE A 69 25.938 -21.060 -5.132 1.00 33.23 H new ATOM 0 HB ILE A 69 27.679 -18.753 -6.101 1.00 72.12 H new ATOM 0 HG12 ILE A 69 24.918 -18.109 -5.544 1.00 42.15 H new ATOM 0 HG13 ILE A 69 25.618 -18.896 -4.143 1.00 42.15 H new ATOM 0 HG21 ILE A 69 25.906 -18.373 -7.769 1.00 11.52 H new ATOM 0 HG22 ILE A 69 26.682 -19.961 -7.984 1.00 11.52 H new ATOM 0 HG23 ILE A 69 25.078 -19.850 -7.221 1.00 11.52 H new ATOM 0 HD11 ILE A 69 25.888 -16.467 -4.011 1.00 72.23 H new ATOM 0 HD12 ILE A 69 27.474 -17.266 -4.139 1.00 72.23 H new ATOM 0 HD13 ILE A 69 26.763 -16.468 -5.561 1.00 72.23 H new ATOM 1099 N GLU A 70 28.996 -21.287 -6.371 1.00 10.31 N ATOM 1100 CA GLU A 70 29.848 -22.066 -7.261 1.00 44.55 C ATOM 1101 C GLU A 70 29.623 -23.561 -7.060 1.00 71.31 C ATOM 1102 O GLU A 70 29.791 -24.355 -7.985 1.00 31.44 O ATOM 1103 CB GLU A 70 31.321 -21.724 -7.022 1.00 54.24 C ATOM 1104 CG GLU A 70 32.194 -21.899 -8.254 1.00 13.34 C ATOM 1105 CD GLU A 70 32.828 -23.274 -8.329 1.00 11.05 C ATOM 1106 OE1 GLU A 70 33.405 -23.718 -7.314 1.00 42.22 O ATOM 1107 OE2 GLU A 70 32.746 -23.906 -9.402 1.00 63.54 O ATOM 0 H GLU A 70 29.491 -20.585 -5.820 1.00 10.31 H new ATOM 0 HA GLU A 70 29.585 -21.812 -8.288 1.00 44.55 H new ATOM 0 HB2 GLU A 70 31.395 -20.692 -6.678 1.00 54.24 H new ATOM 0 HB3 GLU A 70 31.707 -22.355 -6.221 1.00 54.24 H new ATOM 0 HG2 GLU A 70 31.593 -21.731 -9.148 1.00 13.34 H new ATOM 0 HG3 GLU A 70 32.978 -21.141 -8.250 1.00 13.34 H new ATOM 1114 N GLY A 71 29.241 -23.938 -5.843 1.00 44.03 N ATOM 1115 CA GLY A 71 29.000 -25.337 -5.541 1.00 53.35 C ATOM 1116 C GLY A 71 27.531 -25.702 -5.622 1.00 52.22 C ATOM 1117 O GLY A 71 27.181 -26.830 -5.972 1.00 3.22 O ATOM 0 H GLY A 71 29.094 -23.299 -5.061 1.00 44.03 H new ATOM 0 HA2 GLY A 71 29.565 -25.958 -6.236 1.00 53.35 H new ATOM 0 HA3 GLY A 71 29.372 -25.559 -4.541 1.00 53.35 H new ATOM 1121 N THR A 72 26.666 -24.746 -5.297 1.00 1.05 N ATOM 1122 CA THR A 72 25.227 -24.973 -5.331 1.00 31.10 C ATOM 1123 C THR A 72 24.739 -25.190 -6.759 1.00 34.55 C ATOM 1124 O THR A 72 23.955 -26.102 -7.023 1.00 51.45 O ATOM 1125 CB THR A 72 24.457 -23.792 -4.711 1.00 53.23 C ATOM 1126 OG1 THR A 72 25.101 -23.366 -3.505 1.00 53.34 O ATOM 1127 CG2 THR A 72 23.017 -24.182 -4.413 1.00 11.43 C ATOM 0 H THR A 72 26.938 -23.807 -5.007 1.00 1.05 H new ATOM 0 HA THR A 72 25.034 -25.871 -4.743 1.00 31.10 H new ATOM 0 HB THR A 72 24.453 -22.972 -5.429 1.00 53.23 H new ATOM 0 HG1 THR A 72 25.867 -22.796 -3.727 1.00 53.34 H new ATOM 0 HG21 THR A 72 22.493 -23.332 -3.976 1.00 11.43 H new ATOM 0 HG22 THR A 72 22.521 -24.477 -5.338 1.00 11.43 H new ATOM 0 HG23 THR A 72 23.004 -25.016 -3.712 1.00 11.43 H new ATOM 1135 N GLN A 73 25.207 -24.349 -7.674 1.00 2.50 N ATOM 1136 CA GLN A 73 24.817 -24.450 -9.075 1.00 41.13 C ATOM 1137 C GLN A 73 25.354 -25.734 -9.698 1.00 60.33 C ATOM 1138 O GLN A 73 24.854 -26.196 -10.724 1.00 51.23 O ATOM 1139 CB GLN A 73 25.326 -23.238 -9.857 1.00 45.03 C ATOM 1140 CG GLN A 73 24.874 -21.907 -9.279 1.00 52.23 C ATOM 1141 CD GLN A 73 23.442 -21.943 -8.782 1.00 24.35 C ATOM 1142 OE1 GLN A 73 23.150 -22.533 -7.741 1.00 34.00 O ATOM 1143 NE2 GLN A 73 22.541 -21.311 -9.524 1.00 31.12 N ATOM 0 H GLN A 73 25.857 -23.590 -7.471 1.00 2.50 H new ATOM 0 HA GLN A 73 23.728 -24.472 -9.122 1.00 41.13 H new ATOM 0 HB2 GLN A 73 26.415 -23.263 -9.881 1.00 45.03 H new ATOM 0 HB3 GLN A 73 24.983 -23.312 -10.889 1.00 45.03 H new ATOM 0 HG2 GLN A 73 25.533 -21.630 -8.456 1.00 52.23 H new ATOM 0 HG3 GLN A 73 24.971 -21.133 -10.040 1.00 52.23 H new ATOM 0 HE21 GLN A 73 22.828 -20.835 -10.379 1.00 31.12 H new ATOM 0 HE22 GLN A 73 21.562 -21.301 -9.239 1.00 31.12 H new ATOM 1152 N LYS A 74 26.376 -26.308 -9.072 1.00 0.51 N ATOM 1153 CA LYS A 74 26.982 -27.540 -9.563 1.00 55.53 C ATOM 1154 C LYS A 74 26.124 -28.748 -9.204 1.00 75.40 C ATOM 1155 O LYS A 74 25.883 -29.622 -10.038 1.00 65.24 O ATOM 1156 CB LYS A 74 28.387 -27.708 -8.983 1.00 4.03 C ATOM 1157 CG LYS A 74 28.911 -29.132 -9.060 1.00 40.43 C ATOM 1158 CD LYS A 74 28.630 -29.900 -7.780 1.00 11.22 C ATOM 1159 CE LYS A 74 29.897 -30.105 -6.963 1.00 53.32 C ATOM 1160 NZ LYS A 74 30.503 -28.810 -6.546 1.00 63.13 N ATOM 0 H LYS A 74 26.803 -25.939 -8.222 1.00 0.51 H new ATOM 0 HA LYS A 74 27.050 -27.475 -10.649 1.00 55.53 H new ATOM 0 HB2 LYS A 74 29.072 -27.048 -9.516 1.00 4.03 H new ATOM 0 HB3 LYS A 74 28.382 -27.388 -7.941 1.00 4.03 H new ATOM 0 HG2 LYS A 74 28.448 -29.646 -9.903 1.00 40.43 H new ATOM 0 HG3 LYS A 74 29.985 -29.116 -9.247 1.00 40.43 H new ATOM 0 HD2 LYS A 74 27.895 -29.359 -7.184 1.00 11.22 H new ATOM 0 HD3 LYS A 74 28.193 -30.868 -8.024 1.00 11.22 H new ATOM 0 HE2 LYS A 74 29.667 -30.700 -6.079 1.00 53.32 H new ATOM 0 HE3 LYS A 74 30.620 -30.672 -7.550 1.00 53.32 H new ATOM 0 HZ1 LYS A 74 31.304 -28.991 -5.908 1.00 63.13 H new ATOM 0 HZ2 LYS A 74 30.838 -28.297 -7.386 1.00 63.13 H new ATOM 0 HZ3 LYS A 74 29.790 -28.236 -6.052 1.00 63.13 H new ATOM 1174 N LEU A 75 25.663 -28.792 -7.959 1.00 32.02 N ATOM 1175 CA LEU A 75 24.829 -29.894 -7.490 1.00 4.45 C ATOM 1176 C LEU A 75 23.390 -29.730 -7.968 1.00 3.32 C ATOM 1177 O LEU A 75 22.591 -30.664 -7.895 1.00 55.24 O ATOM 1178 CB LEU A 75 24.866 -29.972 -5.962 1.00 54.42 C ATOM 1179 CG LEU A 75 23.913 -29.034 -5.220 1.00 1.15 C ATOM 1180 CD1 LEU A 75 22.684 -29.791 -4.741 1.00 51.03 C ATOM 1181 CD2 LEU A 75 24.623 -28.371 -4.048 1.00 31.31 C ATOM 0 H LEU A 75 25.852 -28.078 -7.256 1.00 32.02 H new ATOM 0 HA LEU A 75 25.226 -30.820 -7.905 1.00 4.45 H new ATOM 0 HB2 LEU A 75 24.641 -30.996 -5.665 1.00 54.42 H new ATOM 0 HB3 LEU A 75 25.883 -29.760 -5.632 1.00 54.42 H new ATOM 0 HG LEU A 75 23.589 -28.256 -5.911 1.00 1.15 H new ATOM 0 HD11 LEU A 75 22.017 -29.107 -4.215 1.00 51.03 H new ATOM 0 HD12 LEU A 75 22.163 -30.218 -5.598 1.00 51.03 H new ATOM 0 HD13 LEU A 75 22.989 -30.591 -4.066 1.00 51.03 H new ATOM 0 HD21 LEU A 75 23.930 -27.707 -3.531 1.00 31.31 H new ATOM 0 HD22 LEU A 75 24.976 -29.136 -3.357 1.00 31.31 H new ATOM 0 HD23 LEU A 75 25.472 -27.795 -4.416 1.00 31.31 H new ATOM 1193 N LEU A 76 23.068 -28.538 -8.458 1.00 74.23 N ATOM 1194 CA LEU A 76 21.725 -28.252 -8.951 1.00 52.04 C ATOM 1195 C LEU A 76 21.381 -29.141 -10.142 1.00 50.02 C ATOM 1196 O LEU A 76 20.215 -29.282 -10.508 1.00 11.12 O ATOM 1197 CB LEU A 76 21.609 -26.780 -9.350 1.00 5.54 C ATOM 1198 CG LEU A 76 20.405 -26.024 -8.786 1.00 25.12 C ATOM 1199 CD1 LEU A 76 20.392 -26.099 -7.267 1.00 35.31 C ATOM 1200 CD2 LEU A 76 20.420 -24.575 -9.250 1.00 3.23 C ATOM 0 H LEU A 76 23.718 -27.755 -8.525 1.00 74.23 H new ATOM 0 HA LEU A 76 21.018 -28.462 -8.148 1.00 52.04 H new ATOM 0 HB2 LEU A 76 22.516 -26.266 -9.033 1.00 5.54 H new ATOM 0 HB3 LEU A 76 21.573 -26.721 -10.438 1.00 5.54 H new ATOM 0 HG LEU A 76 19.496 -26.495 -9.161 1.00 25.12 H new ATOM 0 HD11 LEU A 76 19.529 -25.556 -6.883 1.00 35.31 H new ATOM 0 HD12 LEU A 76 20.333 -27.142 -6.955 1.00 35.31 H new ATOM 0 HD13 LEU A 76 21.305 -25.654 -6.873 1.00 35.31 H new ATOM 0 HD21 LEU A 76 19.556 -24.052 -8.839 1.00 3.23 H new ATOM 0 HD22 LEU A 76 21.334 -24.092 -8.905 1.00 3.23 H new ATOM 0 HD23 LEU A 76 20.380 -24.541 -10.339 1.00 3.23 H new ATOM 1212 N ASN A 77 22.405 -29.740 -10.742 1.00 33.22 N ATOM 1213 CA ASN A 77 22.211 -30.617 -11.891 1.00 33.44 C ATOM 1214 C ASN A 77 22.295 -32.083 -11.476 1.00 60.31 C ATOM 1215 O ASN A 77 22.248 -32.982 -12.317 1.00 4.43 O ATOM 1216 CB ASN A 77 23.255 -30.320 -12.968 1.00 42.42 C ATOM 1217 CG ASN A 77 22.792 -29.256 -13.944 1.00 54.34 C ATOM 1218 OD1 ASN A 77 22.371 -29.562 -15.060 1.00 72.10 O ATOM 1219 ND2 ASN A 77 22.867 -27.997 -13.528 1.00 23.15 N ATOM 0 H ASN A 77 23.377 -29.634 -10.452 1.00 33.22 H new ATOM 0 HA ASN A 77 21.217 -30.428 -12.297 1.00 33.44 H new ATOM 0 HB2 ASN A 77 24.181 -29.995 -12.493 1.00 42.42 H new ATOM 0 HB3 ASN A 77 23.481 -31.236 -13.514 1.00 42.42 H new ATOM 0 HD21 ASN A 77 22.569 -27.239 -14.142 1.00 23.15 H new ATOM 0 HD22 ASN A 77 23.222 -27.789 -12.595 1.00 23.15 H new ATOM 1226 N LYS A 78 22.419 -32.318 -10.174 1.00 70.02 N ATOM 1227 CA LYS A 78 22.508 -33.674 -9.646 1.00 30.12 C ATOM 1228 C LYS A 78 21.210 -34.074 -8.952 1.00 12.10 C ATOM 1229 O LYS A 78 20.795 -35.232 -9.010 1.00 52.53 O ATOM 1230 CB LYS A 78 23.678 -33.786 -8.666 1.00 10.23 C ATOM 1231 CG LYS A 78 24.990 -33.262 -9.223 1.00 3.23 C ATOM 1232 CD LYS A 78 25.535 -34.169 -10.313 1.00 61.01 C ATOM 1233 CE LYS A 78 26.289 -35.353 -9.728 1.00 31.33 C ATOM 1234 NZ LYS A 78 27.715 -35.022 -9.453 1.00 73.42 N ATOM 0 H LYS A 78 22.460 -31.586 -9.465 1.00 70.02 H new ATOM 0 HA LYS A 78 22.676 -34.352 -10.482 1.00 30.12 H new ATOM 0 HB2 LYS A 78 23.434 -33.236 -7.757 1.00 10.23 H new ATOM 0 HB3 LYS A 78 23.805 -34.831 -8.382 1.00 10.23 H new ATOM 0 HG2 LYS A 78 24.842 -32.259 -9.623 1.00 3.23 H new ATOM 0 HG3 LYS A 78 25.721 -33.179 -8.418 1.00 3.23 H new ATOM 0 HD2 LYS A 78 24.714 -34.529 -10.932 1.00 61.01 H new ATOM 0 HD3 LYS A 78 26.198 -33.599 -10.964 1.00 61.01 H new ATOM 0 HE2 LYS A 78 25.805 -35.671 -8.804 1.00 31.33 H new ATOM 0 HE3 LYS A 78 26.238 -36.194 -10.420 1.00 31.33 H new ATOM 0 HZ1 LYS A 78 28.194 -35.855 -9.055 1.00 73.42 H new ATOM 0 HZ2 LYS A 78 28.184 -34.743 -10.339 1.00 73.42 H new ATOM 0 HZ3 LYS A 78 27.764 -34.237 -8.773 1.00 73.42 H new ATOM 1248 N ASP A 79 20.573 -33.109 -8.297 1.00 71.34 N ATOM 1249 CA ASP A 79 19.320 -33.361 -7.595 1.00 1.55 C ATOM 1250 C ASP A 79 18.299 -34.015 -8.520 1.00 44.03 C ATOM 1251 O ASP A 79 17.408 -34.735 -8.069 1.00 32.02 O ATOM 1252 CB ASP A 79 18.755 -32.055 -7.033 1.00 53.24 C ATOM 1253 CG ASP A 79 19.016 -30.872 -7.945 1.00 3.24 C ATOM 1254 OD1 ASP A 79 18.922 -31.041 -9.179 1.00 0.54 O ATOM 1255 OD2 ASP A 79 19.315 -29.777 -7.424 1.00 15.13 O ATOM 0 H ASP A 79 20.904 -32.146 -8.238 1.00 71.34 H new ATOM 0 HA ASP A 79 19.525 -34.044 -6.771 1.00 1.55 H new ATOM 0 HB2 ASP A 79 17.681 -32.163 -6.881 1.00 53.24 H new ATOM 0 HB3 ASP A 79 19.198 -31.862 -6.056 1.00 53.24 H new ATOM 1260 N LEU A 80 18.435 -33.759 -9.817 1.00 21.52 N ATOM 1261 CA LEU A 80 17.524 -34.323 -10.807 1.00 40.11 C ATOM 1262 C LEU A 80 18.172 -35.494 -11.539 1.00 34.24 C ATOM 1263 O LEU A 80 17.493 -36.270 -12.211 1.00 65.21 O ATOM 1264 CB LEU A 80 17.104 -33.249 -11.812 1.00 11.31 C ATOM 1265 CG LEU A 80 18.170 -32.214 -12.173 1.00 11.52 C ATOM 1266 CD1 LEU A 80 19.403 -32.895 -12.746 1.00 53.55 C ATOM 1267 CD2 LEU A 80 17.613 -31.196 -13.158 1.00 23.10 C ATOM 0 H LEU A 80 19.167 -33.165 -10.207 1.00 21.52 H new ATOM 0 HA LEU A 80 16.640 -34.689 -10.284 1.00 40.11 H new ATOM 0 HB2 LEU A 80 16.781 -33.743 -12.728 1.00 11.31 H new ATOM 0 HB3 LEU A 80 16.237 -32.724 -11.411 1.00 11.31 H new ATOM 0 HG LEU A 80 18.461 -31.688 -11.264 1.00 11.52 H new ATOM 0 HD11 LEU A 80 20.151 -32.143 -12.997 1.00 53.55 H new ATOM 0 HD12 LEU A 80 19.815 -33.583 -12.008 1.00 53.55 H new ATOM 0 HD13 LEU A 80 19.129 -33.448 -13.644 1.00 53.55 H new ATOM 0 HD21 LEU A 80 18.385 -30.467 -13.404 1.00 23.10 H new ATOM 0 HD22 LEU A 80 17.293 -31.706 -14.067 1.00 23.10 H new ATOM 0 HD23 LEU A 80 16.761 -30.685 -12.710 1.00 23.10 H new ATOM 1279 N ALA A 81 19.488 -35.617 -11.401 1.00 12.45 N ATOM 1280 CA ALA A 81 20.226 -36.696 -12.045 1.00 4.34 C ATOM 1281 C ALA A 81 19.765 -38.057 -11.536 1.00 34.02 C ATOM 1282 O ALA A 81 19.717 -39.028 -12.290 1.00 53.45 O ATOM 1283 CB ALA A 81 21.720 -36.523 -11.815 1.00 25.14 C ATOM 0 H ALA A 81 20.065 -34.982 -10.849 1.00 12.45 H new ATOM 0 HA ALA A 81 20.026 -36.651 -13.116 1.00 4.34 H new ATOM 0 HB1 ALA A 81 22.260 -37.336 -12.301 1.00 25.14 H new ATOM 0 HB2 ALA A 81 22.045 -35.570 -12.234 1.00 25.14 H new ATOM 0 HB3 ALA A 81 21.928 -36.539 -10.745 1.00 25.14 H new ATOM 1289 N GLU A 82 19.427 -38.120 -10.252 1.00 34.24 N ATOM 1290 CA GLU A 82 18.970 -39.364 -9.643 1.00 22.21 C ATOM 1291 C GLU A 82 17.456 -39.508 -9.769 1.00 63.31 C ATOM 1292 O GLU A 82 16.931 -40.620 -9.843 1.00 70.01 O ATOM 1293 CB GLU A 82 19.377 -39.416 -8.169 1.00 24.01 C ATOM 1294 CG GLU A 82 20.831 -39.803 -7.952 1.00 53.11 C ATOM 1295 CD GLU A 82 21.069 -40.441 -6.597 1.00 74.55 C ATOM 1296 OE1 GLU A 82 20.566 -39.900 -5.591 1.00 11.14 O ATOM 1297 OE2 GLU A 82 21.757 -41.482 -6.544 1.00 41.20 O ATOM 0 H GLU A 82 19.461 -37.325 -9.614 1.00 34.24 H new ATOM 0 HA GLU A 82 19.442 -40.192 -10.172 1.00 22.21 H new ATOM 0 HB2 GLU A 82 19.198 -38.441 -7.717 1.00 24.01 H new ATOM 0 HB3 GLU A 82 18.738 -40.130 -7.649 1.00 24.01 H new ATOM 0 HG2 GLU A 82 21.139 -40.496 -8.735 1.00 53.11 H new ATOM 0 HG3 GLU A 82 21.457 -38.916 -8.047 1.00 53.11 H new ATOM 1304 N LEU A 83 16.760 -38.377 -9.792 1.00 63.13 N ATOM 1305 CA LEU A 83 15.306 -38.376 -9.909 1.00 2.31 C ATOM 1306 C LEU A 83 14.868 -38.915 -11.267 1.00 3.30 C ATOM 1307 O LEU A 83 14.001 -39.784 -11.350 1.00 34.40 O ATOM 1308 CB LEU A 83 14.760 -36.961 -9.709 1.00 2.22 C ATOM 1309 CG LEU A 83 13.336 -36.714 -10.209 1.00 5.20 C ATOM 1310 CD1 LEU A 83 12.385 -37.760 -9.649 1.00 41.04 C ATOM 1311 CD2 LEU A 83 12.874 -35.314 -9.832 1.00 42.21 C ATOM 0 H LEU A 83 17.179 -37.449 -9.731 1.00 63.13 H new ATOM 0 HA LEU A 83 14.903 -39.028 -9.134 1.00 2.31 H new ATOM 0 HB2 LEU A 83 14.796 -36.726 -8.645 1.00 2.22 H new ATOM 0 HB3 LEU A 83 15.427 -36.261 -10.213 1.00 2.22 H new ATOM 0 HG LEU A 83 13.334 -36.795 -11.296 1.00 5.20 H new ATOM 0 HD11 LEU A 83 11.377 -37.568 -10.015 1.00 41.04 H new ATOM 0 HD12 LEU A 83 12.705 -38.751 -9.969 1.00 41.04 H new ATOM 0 HD13 LEU A 83 12.391 -37.711 -8.560 1.00 41.04 H new ATOM 0 HD21 LEU A 83 11.859 -35.156 -10.196 1.00 42.21 H new ATOM 0 HD22 LEU A 83 12.892 -35.205 -8.748 1.00 42.21 H new ATOM 0 HD23 LEU A 83 13.540 -34.578 -10.282 1.00 42.21 H new ATOM 1323 N ILE A 84 15.475 -38.394 -12.328 1.00 64.10 N ATOM 1324 CA ILE A 84 15.150 -38.826 -13.682 1.00 3.32 C ATOM 1325 C ILE A 84 15.396 -40.321 -13.856 1.00 50.51 C ATOM 1326 O ILE A 84 14.604 -41.021 -14.485 1.00 14.24 O ATOM 1327 CB ILE A 84 15.974 -38.056 -14.731 1.00 53.21 C ATOM 1328 CG1 ILE A 84 15.686 -36.556 -14.637 1.00 74.03 C ATOM 1329 CG2 ILE A 84 15.667 -38.573 -16.129 1.00 22.14 C ATOM 1330 CD1 ILE A 84 16.853 -35.689 -15.054 1.00 70.22 C ATOM 0 H ILE A 84 16.194 -37.673 -12.276 1.00 64.10 H new ATOM 0 HA ILE A 84 14.092 -38.614 -13.836 1.00 3.32 H new ATOM 0 HB ILE A 84 17.033 -38.217 -14.529 1.00 53.21 H new ATOM 0 HG12 ILE A 84 14.826 -36.319 -15.264 1.00 74.03 H new ATOM 0 HG13 ILE A 84 15.410 -36.311 -13.611 1.00 74.03 H new ATOM 0 HG21 ILE A 84 16.257 -38.019 -16.859 1.00 22.14 H new ATOM 0 HG22 ILE A 84 15.917 -39.632 -16.188 1.00 22.14 H new ATOM 0 HG23 ILE A 84 14.607 -38.438 -16.342 1.00 22.14 H new ATOM 0 HD11 ILE A 84 16.577 -34.639 -14.962 1.00 70.22 H new ATOM 0 HD12 ILE A 84 17.709 -35.897 -14.412 1.00 70.22 H new ATOM 0 HD13 ILE A 84 17.116 -35.906 -16.089 1.00 70.22 H new ATOM 1342 N ASN A 85 16.499 -40.803 -13.293 1.00 41.02 N ATOM 1343 CA ASN A 85 16.849 -42.216 -13.385 1.00 40.22 C ATOM 1344 C ASN A 85 15.746 -43.089 -12.795 1.00 0.13 C ATOM 1345 O ASN A 85 15.232 -43.992 -13.456 1.00 5.13 O ATOM 1346 CB ASN A 85 18.170 -42.484 -12.661 1.00 12.32 C ATOM 1347 CG ASN A 85 19.377 -42.159 -13.520 1.00 74.50 C ATOM 1348 OD1 ASN A 85 19.348 -41.000 -14.166 1.00 50.44 O flip ATOM 1349 ND2 ASN A 85 20.323 -42.943 -13.601 1.00 42.32 N flip ATOM 0 H ASN A 85 17.166 -40.236 -12.768 1.00 41.02 H new ATOM 0 HA ASN A 85 16.963 -42.469 -14.439 1.00 40.22 H new ATOM 0 HB2 ASN A 85 18.207 -41.891 -11.748 1.00 12.32 H new ATOM 0 HB3 ASN A 85 18.211 -43.532 -12.362 1.00 12.32 H new ATOM 0 HD21 ASN A 85 20.301 -43.823 -13.086 1.00 42.32 H new ATOM 0 HD22 ASN A 85 21.128 -42.712 -14.183 1.00 42.32 H new ATOM 1356 N LYS A 86 15.386 -42.813 -11.546 1.00 33.31 N ATOM 1357 CA LYS A 86 14.342 -43.571 -10.865 1.00 64.01 C ATOM 1358 C LYS A 86 13.009 -43.437 -11.594 1.00 21.03 C ATOM 1359 O LYS A 86 12.104 -44.249 -11.405 1.00 31.00 O ATOM 1360 CB LYS A 86 14.196 -43.091 -9.419 1.00 60.32 C ATOM 1361 CG LYS A 86 13.740 -44.178 -8.461 1.00 53.11 C ATOM 1362 CD LYS A 86 14.869 -45.139 -8.129 1.00 73.15 C ATOM 1363 CE LYS A 86 14.342 -46.532 -7.821 1.00 61.43 C ATOM 1364 NZ LYS A 86 15.447 -47.507 -7.602 1.00 14.21 N ATOM 0 H LYS A 86 15.802 -42.070 -10.984 1.00 33.31 H new ATOM 0 HA LYS A 86 14.631 -44.622 -10.865 1.00 64.01 H new ATOM 0 HB2 LYS A 86 15.153 -42.696 -9.078 1.00 60.32 H new ATOM 0 HB3 LYS A 86 13.482 -42.268 -9.388 1.00 60.32 H new ATOM 0 HG2 LYS A 86 13.367 -43.723 -7.544 1.00 53.11 H new ATOM 0 HG3 LYS A 86 12.910 -44.729 -8.903 1.00 53.11 H new ATOM 0 HD2 LYS A 86 15.564 -45.189 -8.967 1.00 73.15 H new ATOM 0 HD3 LYS A 86 15.429 -44.763 -7.273 1.00 73.15 H new ATOM 0 HE2 LYS A 86 13.710 -46.493 -6.933 1.00 61.43 H new ATOM 0 HE3 LYS A 86 13.714 -46.873 -8.644 1.00 61.43 H new ATOM 0 HZ1 LYS A 86 15.047 -48.444 -7.395 1.00 14.21 H new ATOM 0 HZ2 LYS A 86 16.035 -47.563 -8.458 1.00 14.21 H new ATOM 0 HZ3 LYS A 86 16.031 -47.195 -6.800 1.00 14.21 H new ATOM 1378 N MET A 87 12.896 -42.408 -12.427 1.00 64.25 N ATOM 1379 CA MET A 87 11.674 -42.171 -13.186 1.00 50.54 C ATOM 1380 C MET A 87 11.485 -43.237 -14.260 1.00 75.40 C ATOM 1381 O MET A 87 10.537 -44.021 -14.209 1.00 33.43 O ATOM 1382 CB MET A 87 11.710 -40.783 -13.830 1.00 74.22 C ATOM 1383 CG MET A 87 10.333 -40.168 -14.024 1.00 3.53 C ATOM 1384 SD MET A 87 9.692 -40.410 -15.692 1.00 4.44 S ATOM 1385 CE MET A 87 8.920 -42.017 -15.527 1.00 71.23 C ATOM 0 H MET A 87 13.635 -41.725 -12.593 1.00 64.25 H new ATOM 0 HA MET A 87 10.832 -42.223 -12.496 1.00 50.54 H new ATOM 0 HB2 MET A 87 12.312 -40.119 -13.209 1.00 74.22 H new ATOM 0 HB3 MET A 87 12.207 -40.853 -14.797 1.00 74.22 H new ATOM 0 HG2 MET A 87 9.640 -40.605 -13.306 1.00 3.53 H new ATOM 0 HG3 MET A 87 10.383 -39.100 -13.810 1.00 3.53 H new ATOM 0 HE1 MET A 87 7.985 -42.031 -16.088 1.00 71.23 H new ATOM 0 HE2 MET A 87 9.589 -42.784 -15.918 1.00 71.23 H new ATOM 0 HE3 MET A 87 8.715 -42.216 -14.475 1.00 71.23 H new ATOM 1395 N ARG A 88 12.392 -43.261 -15.231 1.00 55.11 N ATOM 1396 CA ARG A 88 12.323 -44.231 -16.318 1.00 13.35 C ATOM 1397 C ARG A 88 12.326 -45.657 -15.774 1.00 55.34 C ATOM 1398 O ARG A 88 11.866 -46.587 -16.439 1.00 11.52 O ATOM 1399 CB ARG A 88 13.498 -44.037 -17.278 1.00 33.02 C ATOM 1400 CG ARG A 88 14.848 -43.974 -16.583 1.00 21.20 C ATOM 1401 CD ARG A 88 15.988 -43.894 -17.587 1.00 32.44 C ATOM 1402 NE ARG A 88 15.772 -42.843 -18.577 1.00 4.21 N ATOM 1403 CZ ARG A 88 16.487 -42.725 -19.691 1.00 15.13 C ATOM 1404 NH1 ARG A 88 17.457 -43.589 -19.955 1.00 34.31 N ATOM 1405 NH2 ARG A 88 16.230 -41.741 -20.543 1.00 45.04 N ATOM 0 H ARG A 88 13.183 -42.620 -15.287 1.00 55.11 H new ATOM 0 HA ARG A 88 11.391 -44.069 -16.859 1.00 13.35 H new ATOM 0 HB2 ARG A 88 13.507 -44.856 -17.998 1.00 33.02 H new ATOM 0 HB3 ARG A 88 13.346 -43.117 -17.843 1.00 33.02 H new ATOM 0 HG2 ARG A 88 14.880 -43.106 -15.925 1.00 21.20 H new ATOM 0 HG3 ARG A 88 14.976 -44.855 -15.954 1.00 21.20 H new ATOM 0 HD2 ARG A 88 16.923 -43.708 -17.059 1.00 32.44 H new ATOM 0 HD3 ARG A 88 16.093 -44.853 -18.094 1.00 32.44 H new ATOM 0 HE ARG A 88 15.032 -42.162 -18.404 1.00 4.21 H new ATOM 0 HH11 ARG A 88 17.656 -44.347 -19.302 1.00 34.31 H new ATOM 0 HH12 ARG A 88 18.004 -43.496 -20.811 1.00 34.31 H new ATOM 0 HH21 ARG A 88 15.484 -41.075 -20.343 1.00 45.04 H new ATOM 0 HH22 ARG A 88 16.779 -41.650 -21.398 1.00 45.04 H new ATOM 1419 N LEU A 89 12.846 -45.822 -14.564 1.00 5.24 N ATOM 1420 CA LEU A 89 12.910 -47.135 -13.931 1.00 11.45 C ATOM 1421 C LEU A 89 11.667 -47.392 -13.085 1.00 72.10 C ATOM 1422 O LEU A 89 11.369 -48.533 -12.732 1.00 45.20 O ATOM 1423 CB LEU A 89 14.164 -47.243 -13.061 1.00 34.21 C ATOM 1424 CG LEU A 89 14.190 -48.401 -12.063 1.00 31.33 C ATOM 1425 CD1 LEU A 89 14.225 -49.735 -12.793 1.00 14.20 C ATOM 1426 CD2 LEU A 89 15.383 -48.272 -11.127 1.00 62.12 C ATOM 0 H LEU A 89 13.230 -45.063 -14.001 1.00 5.24 H new ATOM 0 HA LEU A 89 12.955 -47.889 -14.717 1.00 11.45 H new ATOM 0 HB2 LEU A 89 15.030 -47.335 -13.717 1.00 34.21 H new ATOM 0 HB3 LEU A 89 14.280 -46.311 -12.508 1.00 34.21 H new ATOM 0 HG LEU A 89 13.279 -48.361 -11.466 1.00 31.33 H new ATOM 0 HD11 LEU A 89 14.243 -50.547 -12.066 1.00 14.20 H new ATOM 0 HD12 LEU A 89 13.339 -49.830 -13.421 1.00 14.20 H new ATOM 0 HD13 LEU A 89 15.118 -49.786 -13.416 1.00 14.20 H new ATOM 0 HD21 LEU A 89 15.385 -49.105 -10.424 1.00 62.12 H new ATOM 0 HD22 LEU A 89 16.305 -48.286 -11.708 1.00 62.12 H new ATOM 0 HD23 LEU A 89 15.314 -47.333 -10.577 1.00 62.12 H new ATOM 1438 N ALA A 90 10.943 -46.324 -12.766 1.00 22.15 N ATOM 1439 CA ALA A 90 9.730 -46.435 -11.965 1.00 51.14 C ATOM 1440 C ALA A 90 8.609 -47.101 -12.757 1.00 24.13 C ATOM 1441 O ALA A 90 7.805 -47.848 -12.201 1.00 31.32 O ATOM 1442 CB ALA A 90 9.291 -45.062 -11.479 1.00 50.43 C ATOM 0 H ALA A 90 11.175 -45.372 -13.050 1.00 22.15 H new ATOM 0 HA ALA A 90 9.951 -47.061 -11.100 1.00 51.14 H new ATOM 0 HB1 ALA A 90 8.384 -45.160 -10.882 1.00 50.43 H new ATOM 0 HB2 ALA A 90 10.081 -44.622 -10.870 1.00 50.43 H new ATOM 0 HB3 ALA A 90 9.093 -44.419 -12.336 1.00 50.43 H new ATOM 1448 N GLN A 91 8.563 -46.825 -14.056 1.00 4.51 N ATOM 1449 CA GLN A 91 7.540 -47.397 -14.922 1.00 52.34 C ATOM 1450 C GLN A 91 8.052 -48.657 -15.611 1.00 61.32 C ATOM 1451 O GLN A 91 7.557 -49.041 -16.670 1.00 74.42 O ATOM 1452 CB GLN A 91 7.097 -46.373 -15.969 1.00 64.04 C ATOM 1453 CG GLN A 91 8.071 -46.229 -17.128 1.00 55.24 C ATOM 1454 CD GLN A 91 8.226 -44.792 -17.585 1.00 13.52 C ATOM 1455 OE1 GLN A 91 9.338 -44.320 -17.822 1.00 61.13 O ATOM 1456 NE2 GLN A 91 7.108 -44.086 -17.710 1.00 73.02 N ATOM 0 H GLN A 91 9.222 -46.209 -14.532 1.00 4.51 H new ATOM 0 HA GLN A 91 6.685 -47.666 -14.302 1.00 52.34 H new ATOM 0 HB2 GLN A 91 6.121 -46.663 -16.359 1.00 64.04 H new ATOM 0 HB3 GLN A 91 6.972 -45.403 -15.487 1.00 64.04 H new ATOM 0 HG2 GLN A 91 9.044 -46.618 -16.830 1.00 55.24 H new ATOM 0 HG3 GLN A 91 7.727 -46.837 -17.965 1.00 55.24 H new ATOM 0 HE21 GLN A 91 6.207 -44.517 -17.503 1.00 73.02 H new ATOM 0 HE22 GLN A 91 7.150 -43.113 -18.013 1.00 73.02 H new ATOM 1465 N GLN A 92 9.047 -49.295 -15.003 1.00 33.51 N ATOM 1466 CA GLN A 92 9.626 -50.512 -15.559 1.00 64.22 C ATOM 1467 C GLN A 92 8.572 -51.606 -15.692 1.00 71.13 C ATOM 1468 O GLN A 92 7.617 -51.658 -14.918 1.00 61.54 O ATOM 1469 CB GLN A 92 10.778 -51.002 -14.680 1.00 2.12 C ATOM 1470 CG GLN A 92 10.338 -51.457 -13.298 1.00 14.22 C ATOM 1471 CD GLN A 92 11.003 -52.750 -12.869 1.00 44.51 C ATOM 1472 OE1 GLN A 92 10.372 -53.615 -12.262 1.00 0.23 O ATOM 1473 NE2 GLN A 92 12.286 -52.888 -13.184 1.00 0.23 N ATOM 0 H GLN A 92 9.469 -48.989 -14.126 1.00 33.51 H new ATOM 0 HA GLN A 92 10.009 -50.280 -16.553 1.00 64.22 H new ATOM 0 HB2 GLN A 92 11.281 -51.828 -15.182 1.00 2.12 H new ATOM 0 HB3 GLN A 92 11.509 -50.201 -14.574 1.00 2.12 H new ATOM 0 HG2 GLN A 92 10.568 -50.677 -12.573 1.00 14.22 H new ATOM 0 HG3 GLN A 92 9.256 -51.590 -13.291 1.00 14.22 H new ATOM 0 HE21 GLN A 92 12.770 -52.145 -13.688 1.00 0.23 H new ATOM 0 HE22 GLN A 92 12.787 -53.737 -12.922 1.00 0.23 H new ATOM 1482 N ASN A 93 8.752 -52.478 -16.679 1.00 50.23 N ATOM 1483 CA ASN A 93 7.815 -53.570 -16.914 1.00 61.54 C ATOM 1484 C ASN A 93 8.430 -54.909 -16.519 1.00 24.25 C ATOM 1485 O ASN A 93 8.752 -55.733 -17.374 1.00 61.21 O ATOM 1486 CB ASN A 93 7.397 -53.604 -18.386 1.00 11.23 C ATOM 1487 CG ASN A 93 7.087 -52.223 -18.930 1.00 52.31 C ATOM 1488 OD1 ASN A 93 7.845 -51.674 -19.729 1.00 43.42 O ATOM 1489 ND2 ASN A 93 5.967 -51.654 -18.498 1.00 70.51 N ATOM 0 H ASN A 93 9.538 -52.449 -17.329 1.00 50.23 H new ATOM 0 HA ASN A 93 6.934 -53.398 -16.296 1.00 61.54 H new ATOM 0 HB2 ASN A 93 8.195 -54.054 -18.977 1.00 11.23 H new ATOM 0 HB3 ASN A 93 6.519 -54.241 -18.497 1.00 11.23 H new ATOM 0 HD21 ASN A 93 5.706 -50.725 -18.829 1.00 70.51 H new ATOM 0 HD22 ASN A 93 5.368 -52.146 -17.835 1.00 70.51 H new ATOM 1496 N ALA A 94 8.590 -55.119 -15.216 1.00 4.31 N ATOM 1497 CA ALA A 94 9.164 -56.358 -14.706 1.00 43.23 C ATOM 1498 C ALA A 94 8.125 -57.170 -13.940 1.00 43.33 C ATOM 1499 O ALA A 94 6.934 -56.861 -13.972 1.00 41.53 O ATOM 1500 CB ALA A 94 10.363 -56.058 -13.818 1.00 34.22 C ATOM 0 H ALA A 94 8.330 -54.447 -14.494 1.00 4.31 H new ATOM 0 HA ALA A 94 9.496 -56.953 -15.557 1.00 43.23 H new ATOM 0 HB1 ALA A 94 10.782 -56.992 -13.444 1.00 34.22 H new ATOM 0 HB2 ALA A 94 11.120 -55.527 -14.395 1.00 34.22 H new ATOM 0 HB3 ALA A 94 10.048 -55.440 -12.978 1.00 34.22 H new ATOM 1506 N VAL A 95 8.584 -58.211 -13.252 1.00 50.43 N ATOM 1507 CA VAL A 95 7.694 -59.067 -12.478 1.00 30.13 C ATOM 1508 C VAL A 95 7.989 -58.960 -10.986 1.00 23.12 C ATOM 1509 O VAL A 95 7.685 -59.870 -10.214 1.00 25.50 O ATOM 1510 CB VAL A 95 7.816 -60.540 -12.910 1.00 24.43 C ATOM 1511 CG1 VAL A 95 9.114 -61.143 -12.392 1.00 52.24 C ATOM 1512 CG2 VAL A 95 6.617 -61.339 -12.423 1.00 73.30 C ATOM 0 H VAL A 95 9.567 -58.481 -13.215 1.00 50.43 H new ATOM 0 HA VAL A 95 6.678 -58.723 -12.670 1.00 30.13 H new ATOM 0 HB VAL A 95 7.833 -60.581 -13.999 1.00 24.43 H new ATOM 0 HG11 VAL A 95 9.183 -62.184 -12.707 1.00 52.24 H new ATOM 0 HG12 VAL A 95 9.960 -60.586 -12.794 1.00 52.24 H new ATOM 0 HG13 VAL A 95 9.130 -61.092 -11.303 1.00 52.24 H new ATOM 0 HG21 VAL A 95 6.720 -62.378 -12.737 1.00 73.30 H new ATOM 0 HG22 VAL A 95 6.566 -61.292 -11.335 1.00 73.30 H new ATOM 0 HG23 VAL A 95 5.704 -60.920 -12.847 1.00 73.30 H new ATOM 1522 N THR A 96 8.584 -57.841 -10.584 1.00 51.25 N ATOM 1523 CA THR A 96 8.921 -57.614 -9.185 1.00 24.10 C ATOM 1524 C THR A 96 7.701 -57.791 -8.289 1.00 54.34 C ATOM 1525 O THR A 96 6.574 -57.511 -8.698 1.00 35.30 O ATOM 1526 CB THR A 96 9.503 -56.204 -8.969 1.00 20.34 C ATOM 1527 OG1 THR A 96 10.408 -55.879 -10.030 1.00 30.53 O ATOM 1528 CG2 THR A 96 10.227 -56.116 -7.633 1.00 73.54 C ATOM 0 H THR A 96 8.842 -57.077 -11.209 1.00 51.25 H new ATOM 0 HA THR A 96 9.674 -58.355 -8.918 1.00 24.10 H new ATOM 0 HB THR A 96 8.678 -55.492 -8.965 1.00 20.34 H new ATOM 0 HG1 THR A 96 10.074 -55.097 -10.517 1.00 30.53 H new ATOM 0 HG21 THR A 96 10.629 -55.111 -7.503 1.00 73.54 H new ATOM 0 HG22 THR A 96 9.528 -56.335 -6.825 1.00 73.54 H new ATOM 0 HG23 THR A 96 11.043 -56.839 -7.613 1.00 73.54 H new ATOM 1536 N SER A 97 7.932 -58.256 -7.066 1.00 2.41 N ATOM 1537 CA SER A 97 6.850 -58.472 -6.113 1.00 31.40 C ATOM 1538 C SER A 97 6.577 -57.208 -5.304 1.00 55.14 C ATOM 1539 O SER A 97 5.515 -57.063 -4.697 1.00 0.34 O ATOM 1540 CB SER A 97 7.194 -59.629 -5.172 1.00 44.50 C ATOM 1541 OG SER A 97 7.097 -60.875 -5.839 1.00 20.12 O ATOM 0 H SER A 97 8.859 -58.491 -6.711 1.00 2.41 H new ATOM 0 HA SER A 97 5.950 -58.724 -6.674 1.00 31.40 H new ATOM 0 HB2 SER A 97 8.204 -59.498 -4.784 1.00 44.50 H new ATOM 0 HB3 SER A 97 6.520 -59.618 -4.316 1.00 44.50 H new ATOM 0 HG SER A 97 7.323 -61.598 -5.217 1.00 20.12 H new ATOM 1547 N LEU A 98 7.542 -56.295 -5.302 1.00 34.03 N ATOM 1548 CA LEU A 98 7.407 -55.041 -4.568 1.00 72.22 C ATOM 1549 C LEU A 98 7.025 -53.900 -5.506 1.00 34.33 C ATOM 1550 O LEU A 98 5.886 -53.432 -5.498 1.00 22.21 O ATOM 1551 CB LEU A 98 8.713 -54.707 -3.846 1.00 22.10 C ATOM 1552 CG LEU A 98 8.668 -53.508 -2.898 1.00 23.43 C ATOM 1553 CD1 LEU A 98 8.387 -53.964 -1.474 1.00 71.03 C ATOM 1554 CD2 LEU A 98 9.973 -52.728 -2.962 1.00 24.42 C ATOM 0 H LEU A 98 8.426 -56.399 -5.800 1.00 34.03 H new ATOM 0 HA LEU A 98 6.613 -55.163 -3.831 1.00 72.22 H new ATOM 0 HB2 LEU A 98 9.025 -55.583 -3.277 1.00 22.10 H new ATOM 0 HB3 LEU A 98 9.483 -54.523 -4.596 1.00 22.10 H new ATOM 0 HG LEU A 98 7.859 -52.850 -3.214 1.00 23.43 H new ATOM 0 HD11 LEU A 98 8.359 -53.097 -0.813 1.00 71.03 H new ATOM 0 HD12 LEU A 98 7.427 -54.478 -1.439 1.00 71.03 H new ATOM 0 HD13 LEU A 98 9.174 -54.643 -1.147 1.00 71.03 H new ATOM 0 HD21 LEU A 98 9.923 -51.878 -2.281 1.00 24.42 H new ATOM 0 HD22 LEU A 98 10.799 -53.377 -2.672 1.00 24.42 H new ATOM 0 HD23 LEU A 98 10.133 -52.369 -3.979 1.00 24.42 H new ATOM 1566 N SER A 99 7.983 -53.459 -6.314 1.00 1.12 N ATOM 1567 CA SER A 99 7.748 -52.372 -7.257 1.00 15.34 C ATOM 1568 C SER A 99 7.193 -51.143 -6.542 1.00 32.33 C ATOM 1569 O SER A 99 6.548 -50.294 -7.155 1.00 74.15 O ATOM 1570 CB SER A 99 6.778 -52.819 -8.352 1.00 70.41 C ATOM 1571 OG SER A 99 5.432 -52.670 -7.934 1.00 41.44 O ATOM 0 H SER A 99 8.930 -53.838 -6.335 1.00 1.12 H new ATOM 0 HA SER A 99 8.702 -52.107 -7.712 1.00 15.34 H new ATOM 0 HB2 SER A 99 6.949 -52.232 -9.255 1.00 70.41 H new ATOM 0 HB3 SER A 99 6.969 -53.861 -8.608 1.00 70.41 H new ATOM 0 HG SER A 99 5.272 -53.224 -7.142 1.00 41.44 H new ATOM 1577 N GLU A 100 7.450 -51.058 -5.240 1.00 55.42 N ATOM 1578 CA GLU A 100 6.975 -49.934 -4.441 1.00 42.21 C ATOM 1579 C GLU A 100 8.093 -48.922 -4.207 1.00 64.04 C ATOM 1580 O GLU A 100 7.894 -47.717 -4.354 1.00 52.23 O ATOM 1581 CB GLU A 100 6.430 -50.427 -3.099 1.00 65.52 C ATOM 1582 CG GLU A 100 5.139 -51.219 -3.220 1.00 50.35 C ATOM 1583 CD GLU A 100 4.386 -51.311 -1.908 1.00 14.43 C ATOM 1584 OE1 GLU A 100 4.649 -52.259 -1.138 1.00 50.54 O ATOM 1585 OE2 GLU A 100 3.533 -50.436 -1.650 1.00 1.52 O ATOM 0 H GLU A 100 7.983 -51.753 -4.717 1.00 55.42 H new ATOM 0 HA GLU A 100 6.173 -49.443 -4.992 1.00 42.21 H new ATOM 0 HB2 GLU A 100 7.184 -51.049 -2.617 1.00 65.52 H new ATOM 0 HB3 GLU A 100 6.260 -49.569 -2.448 1.00 65.52 H new ATOM 0 HG2 GLU A 100 4.500 -50.752 -3.969 1.00 50.35 H new ATOM 0 HG3 GLU A 100 5.366 -52.224 -3.576 1.00 50.35 H new ATOM 1592 N GLU A 101 9.270 -49.422 -3.842 1.00 74.51 N ATOM 1593 CA GLU A 101 10.419 -48.562 -3.587 1.00 31.24 C ATOM 1594 C GLU A 101 10.716 -47.678 -4.794 1.00 55.32 C ATOM 1595 O GLU A 101 11.172 -46.544 -4.649 1.00 62.23 O ATOM 1596 CB GLU A 101 11.649 -49.405 -3.244 1.00 31.33 C ATOM 1597 CG GLU A 101 12.637 -48.698 -2.331 1.00 52.35 C ATOM 1598 CD GLU A 101 13.494 -49.665 -1.538 1.00 41.32 C ATOM 1599 OE1 GLU A 101 13.667 -50.815 -1.994 1.00 13.32 O ATOM 1600 OE2 GLU A 101 13.992 -49.272 -0.463 1.00 20.15 O ATOM 0 H GLU A 101 9.452 -50.418 -3.716 1.00 74.51 H new ATOM 0 HA GLU A 101 10.179 -47.921 -2.739 1.00 31.24 H new ATOM 0 HB2 GLU A 101 11.324 -50.329 -2.767 1.00 31.33 H new ATOM 0 HB3 GLU A 101 12.156 -49.684 -4.167 1.00 31.33 H new ATOM 0 HG2 GLU A 101 13.281 -48.054 -2.929 1.00 52.35 H new ATOM 0 HG3 GLU A 101 12.092 -48.053 -1.642 1.00 52.35 H new ATOM 1607 N ALA A 102 10.453 -48.205 -5.985 1.00 71.34 N ATOM 1608 CA ALA A 102 10.690 -47.464 -7.218 1.00 70.30 C ATOM 1609 C ALA A 102 9.807 -46.223 -7.291 1.00 74.52 C ATOM 1610 O ALA A 102 10.073 -45.304 -8.065 1.00 54.24 O ATOM 1611 CB ALA A 102 10.449 -48.358 -8.426 1.00 20.04 C ATOM 0 H ALA A 102 10.076 -49.143 -6.122 1.00 71.34 H new ATOM 0 HA ALA A 102 11.730 -47.138 -7.223 1.00 70.30 H new ATOM 0 HB1 ALA A 102 10.630 -47.792 -9.340 1.00 20.04 H new ATOM 0 HB2 ALA A 102 11.126 -49.211 -8.388 1.00 20.04 H new ATOM 0 HB3 ALA A 102 9.418 -48.712 -8.417 1.00 20.04 H new ATOM 1617 N LYS A 103 8.754 -46.204 -6.481 1.00 13.10 N ATOM 1618 CA LYS A 103 7.830 -45.076 -6.453 1.00 3.23 C ATOM 1619 C LYS A 103 8.263 -44.044 -5.416 1.00 22.33 C ATOM 1620 O LYS A 103 8.238 -42.841 -5.675 1.00 60.14 O ATOM 1621 CB LYS A 103 6.411 -45.559 -6.145 1.00 63.41 C ATOM 1622 CG LYS A 103 5.460 -45.442 -7.323 1.00 51.32 C ATOM 1623 CD LYS A 103 4.051 -45.868 -6.947 1.00 12.54 C ATOM 1624 CE LYS A 103 3.125 -44.669 -6.806 1.00 41.21 C ATOM 1625 NZ LYS A 103 2.840 -44.031 -8.121 1.00 42.03 N ATOM 0 H LYS A 103 8.519 -46.957 -5.835 1.00 13.10 H new ATOM 0 HA LYS A 103 7.841 -44.605 -7.436 1.00 3.23 H new ATOM 0 HB2 LYS A 103 6.452 -46.600 -5.824 1.00 63.41 H new ATOM 0 HB3 LYS A 103 6.014 -44.983 -5.309 1.00 63.41 H new ATOM 0 HG2 LYS A 103 5.447 -44.412 -7.680 1.00 51.32 H new ATOM 0 HG3 LYS A 103 5.821 -46.060 -8.145 1.00 51.32 H new ATOM 0 HD2 LYS A 103 3.659 -46.544 -7.707 1.00 12.54 H new ATOM 0 HD3 LYS A 103 4.076 -46.422 -6.009 1.00 12.54 H new ATOM 0 HE2 LYS A 103 2.189 -44.985 -6.345 1.00 41.21 H new ATOM 0 HE3 LYS A 103 3.578 -43.937 -6.138 1.00 41.21 H new ATOM 0 HZ1 LYS A 103 2.704 -43.008 -7.989 1.00 42.03 H new ATOM 0 HZ2 LYS A 103 3.639 -44.193 -8.766 1.00 42.03 H new ATOM 0 HZ3 LYS A 103 1.977 -44.445 -8.528 1.00 42.03 H new ATOM 1639 N ARG A 104 8.661 -44.523 -4.242 1.00 30.14 N ATOM 1640 CA ARG A 104 9.100 -43.642 -3.166 1.00 74.01 C ATOM 1641 C ARG A 104 10.492 -43.087 -3.452 1.00 10.03 C ATOM 1642 O ARG A 104 10.850 -42.009 -2.977 1.00 32.50 O ATOM 1643 CB ARG A 104 9.101 -44.392 -1.833 1.00 4.35 C ATOM 1644 CG ARG A 104 10.256 -45.369 -1.685 1.00 1.02 C ATOM 1645 CD ARG A 104 10.035 -46.321 -0.520 1.00 11.44 C ATOM 1646 NE ARG A 104 9.826 -45.607 0.738 1.00 70.34 N ATOM 1647 CZ ARG A 104 9.449 -46.200 1.865 1.00 30.10 C ATOM 1648 NH1 ARG A 104 9.241 -47.509 1.892 1.00 21.21 N ATOM 1649 NH2 ARG A 104 9.280 -45.483 2.969 1.00 53.04 N ATOM 0 H ARG A 104 8.689 -45.516 -4.012 1.00 30.14 H new ATOM 0 HA ARG A 104 8.401 -42.808 -3.105 1.00 74.01 H new ATOM 0 HB2 ARG A 104 9.142 -43.669 -1.019 1.00 4.35 H new ATOM 0 HB3 ARG A 104 8.161 -44.935 -1.731 1.00 4.35 H new ATOM 0 HG2 ARG A 104 10.371 -45.940 -2.606 1.00 1.02 H new ATOM 0 HG3 ARG A 104 11.184 -44.817 -1.534 1.00 1.02 H new ATOM 0 HD2 ARG A 104 9.171 -46.952 -0.727 1.00 11.44 H new ATOM 0 HD3 ARG A 104 10.897 -46.982 -0.423 1.00 11.44 H new ATOM 0 HE ARG A 104 9.978 -44.598 0.751 1.00 70.34 H new ATOM 0 HH11 ARG A 104 9.370 -48.064 1.046 1.00 21.21 H new ATOM 0 HH12 ARG A 104 8.952 -47.962 2.759 1.00 21.21 H new ATOM 0 HH21 ARG A 104 9.440 -44.476 2.952 1.00 53.04 H new ATOM 0 HH22 ARG A 104 8.990 -45.939 3.834 1.00 53.04 H new ATOM 1663 N GLN A 105 11.272 -43.831 -4.229 1.00 51.14 N ATOM 1664 CA GLN A 105 12.625 -43.413 -4.577 1.00 20.33 C ATOM 1665 C GLN A 105 12.600 -42.298 -5.617 1.00 65.30 C ATOM 1666 O GLN A 105 13.612 -41.641 -5.860 1.00 11.32 O ATOM 1667 CB GLN A 105 13.429 -44.603 -5.105 1.00 53.43 C ATOM 1668 CG GLN A 105 14.082 -45.430 -4.010 1.00 45.04 C ATOM 1669 CD GLN A 105 15.039 -44.619 -3.159 1.00 23.22 C ATOM 1670 OE1 GLN A 105 16.099 -44.198 -3.624 1.00 74.03 O ATOM 1671 NE2 GLN A 105 14.670 -44.396 -1.903 1.00 4.51 N ATOM 0 H GLN A 105 10.991 -44.726 -4.629 1.00 51.14 H new ATOM 0 HA GLN A 105 13.104 -43.032 -3.675 1.00 20.33 H new ATOM 0 HB2 GLN A 105 12.770 -45.245 -5.690 1.00 53.43 H new ATOM 0 HB3 GLN A 105 14.201 -44.237 -5.782 1.00 53.43 H new ATOM 0 HG2 GLN A 105 13.308 -45.858 -3.373 1.00 45.04 H new ATOM 0 HG3 GLN A 105 14.620 -46.264 -4.461 1.00 45.04 H new ATOM 0 HE21 GLN A 105 13.783 -44.764 -1.559 1.00 4.51 H new ATOM 0 HE22 GLN A 105 15.274 -43.857 -1.282 1.00 4.51 H new ATOM 1680 N MET A 106 11.439 -42.092 -6.229 1.00 12.14 N ATOM 1681 CA MET A 106 11.283 -41.055 -7.243 1.00 30.44 C ATOM 1682 C MET A 106 10.922 -39.719 -6.603 1.00 4.44 C ATOM 1683 O MET A 106 11.214 -38.656 -7.154 1.00 22.25 O ATOM 1684 CB MET A 106 10.206 -41.458 -8.252 1.00 44.44 C ATOM 1685 CG MET A 106 10.360 -40.783 -9.606 1.00 1.22 C ATOM 1686 SD MET A 106 8.792 -40.614 -10.480 1.00 1.43 S ATOM 1687 CE MET A 106 8.082 -42.237 -10.219 1.00 65.45 C ATOM 0 H MET A 106 10.592 -42.629 -6.041 1.00 12.14 H new ATOM 0 HA MET A 106 12.235 -40.943 -7.763 1.00 30.44 H new ATOM 0 HB2 MET A 106 10.234 -42.539 -8.389 1.00 44.44 H new ATOM 0 HB3 MET A 106 9.226 -41.213 -7.842 1.00 44.44 H new ATOM 0 HG2 MET A 106 10.803 -39.797 -9.468 1.00 1.22 H new ATOM 0 HG3 MET A 106 11.053 -41.360 -10.219 1.00 1.22 H new ATOM 0 HE1 MET A 106 7.618 -42.584 -11.142 1.00 65.45 H new ATOM 0 HE2 MET A 106 8.866 -42.934 -9.923 1.00 65.45 H new ATOM 0 HE3 MET A 106 7.329 -42.183 -9.433 1.00 65.45 H new ATOM 1697 N LEU A 107 10.287 -39.778 -5.438 1.00 14.12 N ATOM 1698 CA LEU A 107 9.886 -38.571 -4.723 1.00 33.24 C ATOM 1699 C LEU A 107 11.015 -38.068 -3.829 1.00 15.51 C ATOM 1700 O LEU A 107 11.169 -36.863 -3.624 1.00 31.14 O ATOM 1701 CB LEU A 107 8.637 -38.844 -3.882 1.00 2.11 C ATOM 1702 CG LEU A 107 8.306 -37.801 -2.814 1.00 3.03 C ATOM 1703 CD1 LEU A 107 6.884 -37.292 -2.987 1.00 34.40 C ATOM 1704 CD2 LEU A 107 8.501 -38.383 -1.421 1.00 74.44 C ATOM 0 H LEU A 107 10.039 -40.649 -4.968 1.00 14.12 H new ATOM 0 HA LEU A 107 9.659 -37.800 -5.459 1.00 33.24 H new ATOM 0 HB2 LEU A 107 7.783 -38.931 -4.554 1.00 2.11 H new ATOM 0 HB3 LEU A 107 8.757 -39.811 -3.393 1.00 2.11 H new ATOM 0 HG LEU A 107 8.988 -36.959 -2.933 1.00 3.03 H new ATOM 0 HD11 LEU A 107 6.667 -36.551 -2.218 1.00 34.40 H new ATOM 0 HD12 LEU A 107 6.778 -36.836 -3.971 1.00 34.40 H new ATOM 0 HD13 LEU A 107 6.186 -38.124 -2.896 1.00 34.40 H new ATOM 0 HD21 LEU A 107 8.261 -37.627 -0.674 1.00 74.44 H new ATOM 0 HD22 LEU A 107 7.844 -39.243 -1.291 1.00 74.44 H new ATOM 0 HD23 LEU A 107 9.538 -38.697 -1.300 1.00 74.44 H new ATOM 1716 N THR A 108 11.804 -38.998 -3.300 1.00 51.43 N ATOM 1717 CA THR A 108 12.919 -38.649 -2.430 1.00 3.43 C ATOM 1718 C THR A 108 13.993 -37.881 -3.193 1.00 20.25 C ATOM 1719 O THR A 108 14.793 -37.159 -2.599 1.00 23.22 O ATOM 1720 CB THR A 108 13.552 -39.903 -1.797 1.00 41.43 C ATOM 1721 OG1 THR A 108 14.497 -39.520 -0.791 1.00 75.41 O ATOM 1722 CG2 THR A 108 14.244 -40.751 -2.854 1.00 2.34 C ATOM 0 H THR A 108 11.691 -39.999 -3.459 1.00 51.43 H new ATOM 0 HA THR A 108 12.516 -38.016 -1.639 1.00 3.43 H new ATOM 0 HB THR A 108 12.758 -40.495 -1.342 1.00 41.43 H new ATOM 0 HG1 THR A 108 14.894 -40.323 -0.392 1.00 75.41 H new ATOM 0 HG21 THR A 108 14.684 -41.631 -2.384 1.00 2.34 H new ATOM 0 HG22 THR A 108 13.516 -41.065 -3.602 1.00 2.34 H new ATOM 0 HG23 THR A 108 15.029 -40.166 -3.334 1.00 2.34 H new ATOM 1730 N ALA A 109 14.004 -38.042 -4.512 1.00 10.32 N ATOM 1731 CA ALA A 109 14.978 -37.361 -5.356 1.00 61.30 C ATOM 1732 C ALA A 109 14.468 -35.991 -5.788 1.00 52.21 C ATOM 1733 O ALA A 109 15.236 -35.034 -5.886 1.00 23.24 O ATOM 1734 CB ALA A 109 15.307 -38.212 -6.574 1.00 32.32 C ATOM 0 H ALA A 109 13.350 -38.638 -5.019 1.00 10.32 H new ATOM 0 HA ALA A 109 15.887 -37.214 -4.773 1.00 61.30 H new ATOM 0 HB1 ALA A 109 16.035 -37.691 -7.196 1.00 32.32 H new ATOM 0 HB2 ALA A 109 15.723 -39.166 -6.250 1.00 32.32 H new ATOM 0 HB3 ALA A 109 14.399 -38.389 -7.150 1.00 32.32 H new ATOM 1740 N SER A 110 13.167 -35.903 -6.047 1.00 31.34 N ATOM 1741 CA SER A 110 12.555 -34.650 -6.473 1.00 31.30 C ATOM 1742 C SER A 110 12.817 -33.544 -5.456 1.00 1.13 C ATOM 1743 O SER A 110 13.335 -32.480 -5.798 1.00 32.24 O ATOM 1744 CB SER A 110 11.048 -34.834 -6.667 1.00 25.12 C ATOM 1745 OG SER A 110 10.412 -35.157 -5.442 1.00 64.24 O ATOM 0 H SER A 110 12.517 -36.685 -5.969 1.00 31.34 H new ATOM 0 HA SER A 110 13.004 -34.360 -7.423 1.00 31.30 H new ATOM 0 HB2 SER A 110 10.616 -33.920 -7.075 1.00 25.12 H new ATOM 0 HB3 SER A 110 10.866 -35.625 -7.395 1.00 25.12 H new ATOM 0 HG SER A 110 10.873 -35.914 -5.024 1.00 64.24 H new ATOM 1751 N HIS A 111 12.456 -33.803 -4.203 1.00 15.30 N ATOM 1752 CA HIS A 111 12.652 -32.830 -3.134 1.00 54.32 C ATOM 1753 C HIS A 111 14.100 -32.351 -3.094 1.00 72.21 C ATOM 1754 O HIS A 111 14.379 -31.212 -2.718 1.00 32.21 O ATOM 1755 CB HIS A 111 12.266 -33.437 -1.785 1.00 75.44 C ATOM 1756 CG HIS A 111 11.903 -32.417 -0.751 1.00 30.25 C ATOM 1757 ND1 HIS A 111 11.311 -31.211 -1.058 1.00 54.43 N ATOM 1758 CD2 HIS A 111 12.051 -32.430 0.595 1.00 54.31 C ATOM 1759 CE1 HIS A 111 11.111 -30.524 0.053 1.00 61.52 C ATOM 1760 NE2 HIS A 111 11.551 -31.242 1.070 1.00 21.35 N ATOM 0 H HIS A 111 12.026 -34.678 -3.903 1.00 15.30 H new ATOM 0 HA HIS A 111 12.009 -31.973 -3.335 1.00 54.32 H new ATOM 0 HB2 HIS A 111 11.423 -34.113 -1.928 1.00 75.44 H new ATOM 0 HB3 HIS A 111 13.097 -34.037 -1.415 1.00 75.44 H new ATOM 0 HD2 HIS A 111 12.482 -33.226 1.185 1.00 54.31 H new ATOM 0 HE1 HIS A 111 10.664 -29.543 0.118 1.00 61.52 H new ATOM 0 HE2 HIS A 111 11.524 -30.960 2.050 1.00 21.35 H new ATOM 1768 N THR A 112 15.019 -33.229 -3.484 1.00 2.03 N ATOM 1769 CA THR A 112 16.438 -32.897 -3.490 1.00 63.24 C ATOM 1770 C THR A 112 16.701 -31.623 -4.285 1.00 64.32 C ATOM 1771 O THR A 112 17.603 -30.850 -3.959 1.00 22.55 O ATOM 1772 CB THR A 112 17.280 -34.042 -4.084 1.00 61.43 C ATOM 1773 OG1 THR A 112 16.705 -35.306 -3.733 1.00 41.04 O ATOM 1774 CG2 THR A 112 18.715 -33.976 -3.583 1.00 12.42 C ATOM 0 H THR A 112 14.806 -34.175 -3.800 1.00 2.03 H new ATOM 0 HA THR A 112 16.731 -32.741 -2.452 1.00 63.24 H new ATOM 0 HB THR A 112 17.285 -33.934 -5.169 1.00 61.43 H new ATOM 0 HG1 THR A 112 17.413 -35.981 -3.670 1.00 41.04 H new ATOM 0 HG21 THR A 112 19.290 -34.795 -4.016 1.00 12.42 H new ATOM 0 HG22 THR A 112 19.160 -33.025 -3.877 1.00 12.42 H new ATOM 0 HG23 THR A 112 18.725 -34.061 -2.496 1.00 12.42 H new ATOM 1782 N LEU A 113 15.909 -31.409 -5.330 1.00 30.13 N ATOM 1783 CA LEU A 113 16.056 -30.227 -6.172 1.00 12.13 C ATOM 1784 C LEU A 113 15.695 -28.961 -5.401 1.00 74.10 C ATOM 1785 O LEU A 113 16.342 -27.925 -5.551 1.00 22.54 O ATOM 1786 CB LEU A 113 15.174 -30.350 -7.415 1.00 53.44 C ATOM 1787 CG LEU A 113 15.614 -31.384 -8.451 1.00 65.25 C ATOM 1788 CD1 LEU A 113 15.077 -32.761 -8.093 1.00 54.14 C ATOM 1789 CD2 LEU A 113 15.154 -30.975 -9.843 1.00 61.10 C ATOM 0 H LEU A 113 15.159 -32.039 -5.614 1.00 30.13 H new ATOM 0 HA LEU A 113 17.099 -30.157 -6.480 1.00 12.13 H new ATOM 0 HB2 LEU A 113 14.161 -30.595 -7.094 1.00 53.44 H new ATOM 0 HB3 LEU A 113 15.128 -29.375 -7.901 1.00 53.44 H new ATOM 0 HG LEU A 113 16.703 -31.430 -8.449 1.00 65.25 H new ATOM 0 HD11 LEU A 113 15.401 -33.484 -8.842 1.00 54.14 H new ATOM 0 HD12 LEU A 113 15.457 -33.057 -7.115 1.00 54.14 H new ATOM 0 HD13 LEU A 113 13.988 -32.731 -8.065 1.00 54.14 H new ATOM 0 HD21 LEU A 113 15.476 -31.723 -10.567 1.00 61.10 H new ATOM 0 HD22 LEU A 113 14.067 -30.899 -9.859 1.00 61.10 H new ATOM 0 HD23 LEU A 113 15.589 -30.009 -10.101 1.00 61.10 H new ATOM 1801 N ALA A 114 14.658 -29.053 -4.575 1.00 33.22 N ATOM 1802 CA ALA A 114 14.213 -27.917 -3.777 1.00 42.03 C ATOM 1803 C ALA A 114 15.086 -27.740 -2.539 1.00 73.51 C ATOM 1804 O ALA A 114 15.284 -26.623 -2.061 1.00 35.52 O ATOM 1805 CB ALA A 114 12.755 -28.091 -3.378 1.00 4.33 C ATOM 0 H ALA A 114 14.110 -29.903 -4.441 1.00 33.22 H new ATOM 0 HA ALA A 114 14.306 -27.018 -4.386 1.00 42.03 H new ATOM 0 HB1 ALA A 114 12.436 -27.235 -2.783 1.00 4.33 H new ATOM 0 HB2 ALA A 114 12.138 -28.160 -4.274 1.00 4.33 H new ATOM 0 HB3 ALA A 114 12.645 -29.003 -2.791 1.00 4.33 H new ATOM 1811 N VAL A 115 15.605 -28.850 -2.024 1.00 30.24 N ATOM 1812 CA VAL A 115 16.457 -28.818 -0.841 1.00 11.12 C ATOM 1813 C VAL A 115 17.660 -27.906 -1.055 1.00 21.51 C ATOM 1814 O VAL A 115 18.248 -27.402 -0.098 1.00 14.30 O ATOM 1815 CB VAL A 115 16.954 -30.227 -0.469 1.00 22.34 C ATOM 1816 CG1 VAL A 115 17.892 -30.164 0.728 1.00 72.35 C ATOM 1817 CG2 VAL A 115 15.778 -31.150 -0.186 1.00 52.52 C ATOM 0 H VAL A 115 15.450 -29.782 -2.407 1.00 30.24 H new ATOM 0 HA VAL A 115 15.850 -28.428 -0.024 1.00 11.12 H new ATOM 0 HB VAL A 115 17.509 -30.632 -1.315 1.00 22.34 H new ATOM 0 HG11 VAL A 115 18.233 -31.169 0.976 1.00 72.35 H new ATOM 0 HG12 VAL A 115 18.751 -29.539 0.484 1.00 72.35 H new ATOM 0 HG13 VAL A 115 17.364 -29.739 1.582 1.00 72.35 H new ATOM 0 HG21 VAL A 115 16.148 -32.141 0.075 1.00 52.52 H new ATOM 0 HG22 VAL A 115 15.194 -30.751 0.643 1.00 52.52 H new ATOM 0 HG23 VAL A 115 15.149 -31.220 -1.073 1.00 52.52 H new ATOM 1827 N ASP A 116 18.021 -27.700 -2.316 1.00 43.44 N ATOM 1828 CA ASP A 116 19.154 -26.847 -2.657 1.00 63.03 C ATOM 1829 C ASP A 116 18.704 -25.405 -2.873 1.00 22.43 C ATOM 1830 O ASP A 116 19.338 -24.468 -2.389 1.00 64.15 O ATOM 1831 CB ASP A 116 19.853 -27.369 -3.914 1.00 21.34 C ATOM 1832 CG ASP A 116 21.350 -27.132 -3.884 1.00 63.41 C ATOM 1833 OD1 ASP A 116 21.931 -27.143 -2.778 1.00 43.05 O ATOM 1834 OD2 ASP A 116 21.941 -26.937 -4.967 1.00 21.44 O ATOM 0 H ASP A 116 17.546 -28.112 -3.119 1.00 43.44 H new ATOM 0 HA ASP A 116 19.856 -26.869 -1.824 1.00 63.03 H new ATOM 0 HB2 ASP A 116 19.659 -28.437 -4.017 1.00 21.34 H new ATOM 0 HB3 ASP A 116 19.428 -26.881 -4.792 1.00 21.34 H new ATOM 1839 N ALA A 117 17.606 -25.236 -3.602 1.00 62.41 N ATOM 1840 CA ALA A 117 17.071 -23.910 -3.881 1.00 12.43 C ATOM 1841 C ALA A 117 16.816 -23.139 -2.590 1.00 55.52 C ATOM 1842 O ALA A 117 16.816 -21.907 -2.580 1.00 31.44 O ATOM 1843 CB ALA A 117 15.790 -24.018 -4.695 1.00 44.45 C ATOM 0 H ALA A 117 17.070 -26.002 -4.010 1.00 62.41 H new ATOM 0 HA ALA A 117 17.812 -23.361 -4.462 1.00 12.43 H new ATOM 0 HB1 ALA A 117 15.401 -23.020 -4.896 1.00 44.45 H new ATOM 0 HB2 ALA A 117 16.000 -24.523 -5.638 1.00 44.45 H new ATOM 0 HB3 ALA A 117 15.050 -24.589 -4.135 1.00 44.45 H new ATOM 1849 N LYS A 118 16.597 -23.870 -1.503 1.00 31.12 N ATOM 1850 CA LYS A 118 16.340 -23.256 -0.206 1.00 5.25 C ATOM 1851 C LYS A 118 17.583 -22.537 0.311 1.00 14.11 C ATOM 1852 O LYS A 118 17.590 -21.315 0.453 1.00 51.11 O ATOM 1853 CB LYS A 118 15.894 -24.315 0.804 1.00 24.54 C ATOM 1854 CG LYS A 118 14.910 -23.795 1.837 1.00 75.20 C ATOM 1855 CD LYS A 118 13.603 -23.363 1.193 1.00 11.10 C ATOM 1856 CE LYS A 118 12.472 -23.311 2.208 1.00 14.44 C ATOM 1857 NZ LYS A 118 12.583 -22.125 3.102 1.00 11.32 N ATOM 0 H LYS A 118 16.592 -24.890 -1.494 1.00 31.12 H new ATOM 0 HA LYS A 118 15.543 -22.523 -0.331 1.00 5.25 H new ATOM 0 HB2 LYS A 118 15.438 -25.147 0.268 1.00 24.54 H new ATOM 0 HB3 LYS A 118 16.772 -24.708 1.317 1.00 24.54 H new ATOM 0 HG2 LYS A 118 14.713 -24.571 2.577 1.00 75.20 H new ATOM 0 HG3 LYS A 118 15.351 -22.952 2.369 1.00 75.20 H new ATOM 0 HD2 LYS A 118 13.728 -22.381 0.736 1.00 11.10 H new ATOM 0 HD3 LYS A 118 13.344 -24.056 0.393 1.00 11.10 H new ATOM 0 HE2 LYS A 118 11.516 -23.284 1.685 1.00 14.44 H new ATOM 0 HE3 LYS A 118 12.481 -24.221 2.809 1.00 14.44 H new ATOM 0 HZ1 LYS A 118 11.794 -22.126 3.779 1.00 11.32 H new ATOM 0 HZ2 LYS A 118 13.484 -22.164 3.620 1.00 11.32 H new ATOM 0 HZ3 LYS A 118 12.549 -21.256 2.532 1.00 11.32 H new ATOM 1871 N ASN A 119 18.632 -23.304 0.589 1.00 11.24 N ATOM 1872 CA ASN A 119 19.880 -22.739 1.089 1.00 21.24 C ATOM 1873 C ASN A 119 20.420 -21.680 0.133 1.00 33.00 C ATOM 1874 O ASN A 119 21.147 -20.773 0.540 1.00 51.11 O ATOM 1875 CB ASN A 119 20.921 -23.843 1.285 1.00 21.24 C ATOM 1876 CG ASN A 119 21.642 -24.193 -0.002 1.00 61.20 C ATOM 1877 OD1 ASN A 119 22.509 -23.451 -0.462 1.00 43.45 O ATOM 1878 ND2 ASN A 119 21.285 -25.329 -0.590 1.00 21.33 N ATOM 0 H ASN A 119 18.643 -24.318 0.477 1.00 11.24 H new ATOM 0 HA ASN A 119 19.676 -22.266 2.049 1.00 21.24 H new ATOM 0 HB2 ASN A 119 21.649 -23.524 2.031 1.00 21.24 H new ATOM 0 HB3 ASN A 119 20.432 -24.734 1.678 1.00 21.24 H new ATOM 0 HD21 ASN A 119 21.735 -25.617 -1.459 1.00 21.33 H new ATOM 0 HD22 ASN A 119 20.561 -25.914 -0.173 1.00 21.33 H new ATOM 1885 N LEU A 120 20.059 -21.801 -1.140 1.00 35.14 N ATOM 1886 CA LEU A 120 20.505 -20.854 -2.155 1.00 44.11 C ATOM 1887 C LEU A 120 19.712 -19.554 -2.074 1.00 2.45 C ATOM 1888 O LEU A 120 20.277 -18.463 -2.161 1.00 3.54 O ATOM 1889 CB LEU A 120 20.362 -21.466 -3.550 1.00 14.32 C ATOM 1890 CG LEU A 120 21.452 -21.102 -4.558 1.00 1.10 C ATOM 1891 CD1 LEU A 120 21.091 -21.615 -5.943 1.00 50.13 C ATOM 1892 CD2 LEU A 120 21.672 -19.596 -4.585 1.00 64.44 C ATOM 0 H LEU A 120 19.459 -22.546 -1.493 1.00 35.14 H new ATOM 0 HA LEU A 120 21.555 -20.629 -1.969 1.00 44.11 H new ATOM 0 HB2 LEU A 120 20.337 -22.551 -3.448 1.00 14.32 H new ATOM 0 HB3 LEU A 120 19.399 -21.162 -3.961 1.00 14.32 H new ATOM 0 HG LEU A 120 22.381 -21.579 -4.247 1.00 1.10 H new ATOM 0 HD11 LEU A 120 21.879 -21.346 -6.647 1.00 50.13 H new ATOM 0 HD12 LEU A 120 20.985 -22.699 -5.913 1.00 50.13 H new ATOM 0 HD13 LEU A 120 20.150 -21.167 -6.263 1.00 50.13 H new ATOM 0 HD21 LEU A 120 22.451 -19.355 -5.308 1.00 64.44 H new ATOM 0 HD22 LEU A 120 20.745 -19.098 -4.871 1.00 64.44 H new ATOM 0 HD23 LEU A 120 21.977 -19.255 -3.596 1.00 64.44 H new ATOM 1904 N LEU A 121 18.400 -19.677 -1.904 1.00 4.41 N ATOM 1905 CA LEU A 121 17.529 -18.511 -1.808 1.00 13.22 C ATOM 1906 C LEU A 121 18.016 -17.554 -0.724 1.00 63.14 C ATOM 1907 O LEU A 121 17.786 -16.347 -0.799 1.00 2.01 O ATOM 1908 CB LEU A 121 16.093 -18.946 -1.511 1.00 33.30 C ATOM 1909 CG LEU A 121 15.049 -17.830 -1.464 1.00 51.11 C ATOM 1910 CD1 LEU A 121 15.054 -17.040 -2.763 1.00 52.44 C ATOM 1911 CD2 LEU A 121 13.666 -18.404 -1.192 1.00 40.21 C ATOM 0 H LEU A 121 17.916 -20.572 -1.830 1.00 4.41 H new ATOM 0 HA LEU A 121 17.555 -17.990 -2.765 1.00 13.22 H new ATOM 0 HB2 LEU A 121 15.789 -19.668 -2.269 1.00 33.30 H new ATOM 0 HB3 LEU A 121 16.083 -19.466 -0.553 1.00 33.30 H new ATOM 0 HG LEU A 121 15.306 -17.153 -0.650 1.00 51.11 H new ATOM 0 HD11 LEU A 121 14.305 -16.250 -2.711 1.00 52.44 H new ATOM 0 HD12 LEU A 121 16.038 -16.597 -2.916 1.00 52.44 H new ATOM 0 HD13 LEU A 121 14.823 -17.706 -3.595 1.00 52.44 H new ATOM 0 HD21 LEU A 121 12.936 -17.595 -1.162 1.00 40.21 H new ATOM 0 HD22 LEU A 121 13.400 -19.104 -1.984 1.00 40.21 H new ATOM 0 HD23 LEU A 121 13.670 -18.925 -0.234 1.00 40.21 H new ATOM 1923 N ASP A 122 18.692 -18.101 0.280 1.00 62.11 N ATOM 1924 CA ASP A 122 19.216 -17.296 1.377 1.00 13.04 C ATOM 1925 C ASP A 122 20.643 -16.843 1.086 1.00 21.13 C ATOM 1926 O ASP A 122 21.095 -15.817 1.594 1.00 31.21 O ATOM 1927 CB ASP A 122 19.176 -18.089 2.684 1.00 33.34 C ATOM 1928 CG ASP A 122 19.540 -17.242 3.887 1.00 5.04 C ATOM 1929 OD1 ASP A 122 18.653 -16.531 4.403 1.00 50.23 O ATOM 1930 OD2 ASP A 122 20.714 -17.289 4.313 1.00 32.21 O ATOM 0 H ASP A 122 18.890 -19.099 0.357 1.00 62.11 H new ATOM 0 HA ASP A 122 18.587 -16.412 1.478 1.00 13.04 H new ATOM 0 HB2 ASP A 122 18.177 -18.503 2.824 1.00 33.34 H new ATOM 0 HB3 ASP A 122 19.864 -18.932 2.615 1.00 33.34 H new ATOM 1935 N ALA A 123 21.348 -17.616 0.267 1.00 41.24 N ATOM 1936 CA ALA A 123 22.724 -17.294 -0.093 1.00 15.44 C ATOM 1937 C ALA A 123 22.791 -16.006 -0.907 1.00 60.33 C ATOM 1938 O ALA A 123 23.438 -15.039 -0.506 1.00 11.12 O ATOM 1939 CB ALA A 123 23.350 -18.444 -0.867 1.00 1.12 C ATOM 0 H ALA A 123 20.989 -18.470 -0.160 1.00 41.24 H new ATOM 0 HA ALA A 123 23.288 -17.141 0.827 1.00 15.44 H new ATOM 0 HB1 ALA A 123 24.377 -18.190 -1.129 1.00 1.12 H new ATOM 0 HB2 ALA A 123 23.345 -19.343 -0.251 1.00 1.12 H new ATOM 0 HB3 ALA A 123 22.777 -18.625 -1.777 1.00 1.12 H new ATOM 1945 N VAL A 124 22.119 -16.001 -2.054 1.00 64.44 N ATOM 1946 CA VAL A 124 22.103 -14.833 -2.926 1.00 10.53 C ATOM 1947 C VAL A 124 21.527 -13.618 -2.206 1.00 20.44 C ATOM 1948 O VAL A 124 21.955 -12.487 -2.435 1.00 74.04 O ATOM 1949 CB VAL A 124 21.282 -15.096 -4.202 1.00 44.53 C ATOM 1950 CG1 VAL A 124 21.423 -13.935 -5.176 1.00 34.31 C ATOM 1951 CG2 VAL A 124 21.712 -16.402 -4.852 1.00 24.22 C ATOM 0 H VAL A 124 21.578 -16.793 -2.401 1.00 64.44 H new ATOM 0 HA VAL A 124 23.138 -14.631 -3.204 1.00 10.53 H new ATOM 0 HB VAL A 124 20.231 -15.183 -3.926 1.00 44.53 H new ATOM 0 HG11 VAL A 124 20.836 -14.138 -6.072 1.00 34.31 H new ATOM 0 HG12 VAL A 124 21.063 -13.020 -4.706 1.00 34.31 H new ATOM 0 HG13 VAL A 124 22.471 -13.814 -5.449 1.00 34.31 H new ATOM 0 HG21 VAL A 124 21.121 -16.572 -5.752 1.00 24.22 H new ATOM 0 HG22 VAL A 124 22.768 -16.347 -5.116 1.00 24.22 H new ATOM 0 HG23 VAL A 124 21.555 -17.225 -4.154 1.00 24.22 H new ATOM 1961 N ASP A 125 20.555 -13.861 -1.333 1.00 70.13 N ATOM 1962 CA ASP A 125 19.921 -12.788 -0.577 1.00 55.43 C ATOM 1963 C ASP A 125 20.957 -11.990 0.208 1.00 31.24 C ATOM 1964 O ASP A 125 20.817 -10.781 0.387 1.00 3.40 O ATOM 1965 CB ASP A 125 18.869 -13.358 0.375 1.00 33.42 C ATOM 1966 CG ASP A 125 18.029 -12.277 1.026 1.00 4.42 C ATOM 1967 OD1 ASP A 125 18.613 -11.382 1.672 1.00 1.41 O ATOM 1968 OD2 ASP A 125 16.789 -12.326 0.891 1.00 53.43 O ATOM 0 H ASP A 125 20.189 -14.792 -1.132 1.00 70.13 H new ATOM 0 HA ASP A 125 19.433 -12.118 -1.285 1.00 55.43 H new ATOM 0 HB2 ASP A 125 18.218 -14.039 -0.174 1.00 33.42 H new ATOM 0 HB3 ASP A 125 19.364 -13.945 1.149 1.00 33.42 H new ATOM 1973 N GLN A 126 21.995 -12.677 0.676 1.00 55.24 N ATOM 1974 CA GLN A 126 23.053 -12.032 1.444 1.00 61.23 C ATOM 1975 C GLN A 126 24.241 -11.689 0.551 1.00 4.15 C ATOM 1976 O GLN A 126 24.979 -10.742 0.821 1.00 1.41 O ATOM 1977 CB GLN A 126 23.506 -12.939 2.589 1.00 35.14 C ATOM 1978 CG GLN A 126 22.355 -13.577 3.351 1.00 10.34 C ATOM 1979 CD GLN A 126 22.479 -13.400 4.852 1.00 44.42 C ATOM 1980 OE1 GLN A 126 23.584 -13.301 5.387 1.00 13.34 O ATOM 1981 NE2 GLN A 126 21.344 -13.358 5.539 1.00 21.24 N ATOM 0 H GLN A 126 22.125 -13.679 0.537 1.00 55.24 H new ATOM 0 HA GLN A 126 22.654 -11.106 1.859 1.00 61.23 H new ATOM 0 HB2 GLN A 126 24.145 -13.725 2.188 1.00 35.14 H new ATOM 0 HB3 GLN A 126 24.113 -12.358 3.283 1.00 35.14 H new ATOM 0 HG2 GLN A 126 21.415 -13.140 3.014 1.00 10.34 H new ATOM 0 HG3 GLN A 126 22.314 -14.641 3.117 1.00 10.34 H new ATOM 0 HE21 GLN A 126 20.451 -13.444 5.054 1.00 21.24 H new ATOM 0 HE22 GLN A 126 21.365 -13.240 6.552 1.00 21.24 H new ATOM 1990 N ALA A 127 24.421 -12.466 -0.512 1.00 14.13 N ATOM 1991 CA ALA A 127 25.518 -12.243 -1.444 1.00 42.05 C ATOM 1992 C ALA A 127 25.307 -10.963 -2.245 1.00 53.44 C ATOM 1993 O ALA A 127 26.199 -10.120 -2.336 1.00 4.43 O ATOM 1994 CB ALA A 127 25.667 -13.434 -2.379 1.00 74.24 C ATOM 0 H ALA A 127 23.820 -13.256 -0.749 1.00 14.13 H new ATOM 0 HA ALA A 127 26.435 -12.132 -0.866 1.00 42.05 H new ATOM 0 HB1 ALA A 127 26.490 -13.253 -3.070 1.00 74.24 H new ATOM 0 HB2 ALA A 127 25.873 -14.331 -1.795 1.00 74.24 H new ATOM 0 HB3 ALA A 127 24.744 -13.572 -2.943 1.00 74.24 H new ATOM 2000 N LYS A 128 24.120 -10.823 -2.826 1.00 71.03 N ATOM 2001 CA LYS A 128 23.790 -9.645 -3.620 1.00 33.22 C ATOM 2002 C LYS A 128 23.907 -8.375 -2.783 1.00 63.13 C ATOM 2003 O LYS A 128 24.057 -7.278 -3.321 1.00 13.55 O ATOM 2004 CB LYS A 128 22.373 -9.767 -4.186 1.00 10.35 C ATOM 2005 CG LYS A 128 22.192 -9.075 -5.526 1.00 13.05 C ATOM 2006 CD LYS A 128 22.957 -9.787 -6.628 1.00 41.45 C ATOM 2007 CE LYS A 128 22.429 -11.195 -6.854 1.00 25.34 C ATOM 2008 NZ LYS A 128 20.961 -11.205 -7.100 1.00 50.34 N ATOM 0 H LYS A 128 23.370 -11.511 -2.762 1.00 71.03 H new ATOM 0 HA LYS A 128 24.500 -9.582 -4.445 1.00 33.22 H new ATOM 0 HB2 LYS A 128 22.124 -10.823 -4.295 1.00 10.35 H new ATOM 0 HB3 LYS A 128 21.667 -9.345 -3.470 1.00 10.35 H new ATOM 0 HG2 LYS A 128 21.132 -9.043 -5.780 1.00 13.05 H new ATOM 0 HG3 LYS A 128 22.534 -8.043 -5.453 1.00 13.05 H new ATOM 0 HD2 LYS A 128 22.880 -9.216 -7.553 1.00 41.45 H new ATOM 0 HD3 LYS A 128 24.015 -9.831 -6.368 1.00 41.45 H new ATOM 0 HE2 LYS A 128 22.943 -11.643 -7.705 1.00 25.34 H new ATOM 0 HE3 LYS A 128 22.655 -11.812 -5.984 1.00 25.34 H new ATOM 0 HZ1 LYS A 128 20.684 -12.119 -7.511 1.00 50.34 H new ATOM 0 HZ2 LYS A 128 20.457 -11.063 -6.201 1.00 50.34 H new ATOM 0 HZ3 LYS A 128 20.714 -10.440 -7.760 1.00 50.34 H new ATOM 2022 N VAL A 129 23.840 -8.532 -1.465 1.00 2.20 N ATOM 2023 CA VAL A 129 23.942 -7.398 -0.554 1.00 52.22 C ATOM 2024 C VAL A 129 25.398 -7.078 -0.235 1.00 52.23 C ATOM 2025 O VAL A 129 25.737 -5.941 0.095 1.00 1.23 O ATOM 2026 CB VAL A 129 23.186 -7.665 0.761 1.00 23.02 C ATOM 2027 CG1 VAL A 129 23.327 -6.483 1.708 1.00 52.44 C ATOM 2028 CG2 VAL A 129 21.721 -7.964 0.482 1.00 21.13 C ATOM 0 H VAL A 129 23.716 -9.433 -1.004 1.00 2.20 H new ATOM 0 HA VAL A 129 23.488 -6.545 -1.058 1.00 52.22 H new ATOM 0 HB VAL A 129 23.626 -8.539 1.242 1.00 23.02 H new ATOM 0 HG11 VAL A 129 22.786 -6.690 2.631 1.00 52.44 H new ATOM 0 HG12 VAL A 129 24.381 -6.321 1.933 1.00 52.44 H new ATOM 0 HG13 VAL A 129 22.915 -5.590 1.239 1.00 52.44 H new ATOM 0 HG21 VAL A 129 21.202 -8.150 1.422 1.00 21.13 H new ATOM 0 HG22 VAL A 129 21.265 -7.111 -0.021 1.00 21.13 H new ATOM 0 HG23 VAL A 129 21.644 -8.845 -0.155 1.00 21.13 H new ATOM 2038 N LEU A 130 26.255 -8.087 -0.337 1.00 24.21 N ATOM 2039 CA LEU A 130 27.677 -7.914 -0.060 1.00 2.02 C ATOM 2040 C LEU A 130 28.319 -6.973 -1.074 1.00 70.03 C ATOM 2041 O LEU A 130 29.244 -6.230 -0.748 1.00 14.52 O ATOM 2042 CB LEU A 130 28.390 -9.268 -0.081 1.00 15.53 C ATOM 2043 CG LEU A 130 28.499 -9.989 1.263 1.00 22.10 C ATOM 2044 CD1 LEU A 130 28.186 -11.468 1.102 1.00 73.44 C ATOM 2045 CD2 LEU A 130 29.886 -9.798 1.859 1.00 1.14 C ATOM 0 H LEU A 130 25.991 -9.034 -0.609 1.00 24.21 H new ATOM 0 HA LEU A 130 27.777 -7.473 0.932 1.00 2.02 H new ATOM 0 HB2 LEU A 130 27.867 -9.921 -0.780 1.00 15.53 H new ATOM 0 HB3 LEU A 130 29.396 -9.121 -0.474 1.00 15.53 H new ATOM 0 HG LEU A 130 27.768 -9.556 1.946 1.00 22.10 H new ATOM 0 HD11 LEU A 130 28.269 -11.965 2.069 1.00 73.44 H new ATOM 0 HD12 LEU A 130 27.172 -11.586 0.719 1.00 73.44 H new ATOM 0 HD13 LEU A 130 28.892 -11.915 0.403 1.00 73.44 H new ATOM 0 HD21 LEU A 130 29.946 -10.318 2.815 1.00 1.14 H new ATOM 0 HD22 LEU A 130 30.634 -10.204 1.178 1.00 1.14 H new ATOM 0 HD23 LEU A 130 30.073 -8.735 2.011 1.00 1.14 H new ATOM 2057 N ALA A 131 27.820 -7.010 -2.306 1.00 4.23 N ATOM 2058 CA ALA A 131 28.342 -6.158 -3.367 1.00 1.51 C ATOM 2059 C ALA A 131 28.377 -4.697 -2.930 1.00 44.24 C ATOM 2060 O ALA A 131 29.221 -3.924 -3.383 1.00 73.24 O ATOM 2061 CB ALA A 131 27.506 -6.313 -4.628 1.00 72.43 C ATOM 0 H ALA A 131 27.055 -7.621 -2.593 1.00 4.23 H new ATOM 0 HA ALA A 131 29.364 -6.471 -3.581 1.00 1.51 H new ATOM 0 HB1 ALA A 131 27.907 -5.671 -5.412 1.00 72.43 H new ATOM 0 HB2 ALA A 131 27.536 -7.351 -4.959 1.00 72.43 H new ATOM 0 HB3 ALA A 131 26.475 -6.028 -4.418 1.00 72.43 H new