USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=24 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 87 MET CE :methyl 150:sc= -2.73! (180deg=-4.54) USER MOD Set 1.2: A 91 GLN :FLIP amide:sc= -0.485 F(o=-5,f=-3.2) USER MOD Set 2.1: A 25 LYS NZ :NH3+ -141:sc= 0 (180deg=0) USER MOD Set 2.2: A 111 HIS : no HD1:sc= -0.601 K(o=-0.6,f=-1.2) USER MOD Single : A 11 TYR OH : rot 111:sc= 1.39 USER MOD Single : A 13 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 15 MET CE :methyl 140:sc= -0.301 (180deg=-1.13) USER MOD Single : A 26 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.1) USER MOD Single : A 29 SER OG : rot -56:sc= 0.529 USER MOD Single : A 30 GLN : amide:sc= 0.571 K(o=0.57,f=-0.027) USER MOD Single : A 36 TYR OH : rot -100:sc= -2.21 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -1.81 K(o=-1.8,f=-3.3) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0301 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 75:sc= 0.581 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 170:sc= -0.0208 USER MOD Single : A 67 THR OG1 : rot 96:sc= 0.0249 USER MOD Single : A 72 THR OG1 : rot 97:sc= 1.24 USER MOD Single : A 73 GLN : amide:sc= -1.98 K(o=-2,f=-7.5!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,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 F(o=-0.88,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.0469 X(o=-0.047,f=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0217 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.33) USER MOD Single : A 106 MET CE :methyl -156:sc= -0.0465 (180deg=-0.622) USER MOD Single : A 108 THR OG1 : rot 98:sc= 1.26 USER MOD Single : A 110 SER OG : rot -150:sc= -0.596 USER MOD Single : A 112 THR OG1 : rot -160:sc= -0.246 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.18) USER MOD Single : A 126 GLN : amide:sc= -0.0203 X(o=-0.02,f=-0.032) USER MOD Single : A 128 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.367) USER MOD ----------------------------------------------------------------- ATOM 106 N ASP A 8 17.467 -9.510 -9.222 1.00 40.25 N ATOM 107 CA ASP A 8 17.914 -10.880 -8.998 1.00 45.52 C ATOM 108 C ASP A 8 17.380 -11.810 -10.082 1.00 74.30 C ATOM 109 O ASP A 8 16.548 -12.679 -9.815 1.00 12.43 O ATOM 110 CB ASP A 8 17.462 -11.367 -7.621 1.00 22.31 C ATOM 111 CG ASP A 8 18.241 -10.719 -6.493 1.00 33.31 C ATOM 112 OD1 ASP A 8 18.715 -9.579 -6.678 1.00 74.11 O ATOM 113 OD2 ASP A 8 18.377 -11.353 -5.425 1.00 51.20 O ATOM 0 HA ASP A 8 19.003 -10.893 -9.039 1.00 45.52 H new ATOM 0 HB2 ASP A 8 16.400 -11.155 -7.494 1.00 22.31 H new ATOM 0 HB3 ASP A 8 17.580 -12.449 -7.565 1.00 22.31 H new ATOM 118 N LEU A 9 17.861 -11.623 -11.306 1.00 22.02 N ATOM 119 CA LEU A 9 17.431 -12.445 -12.431 1.00 71.34 C ATOM 120 C LEU A 9 17.666 -13.925 -12.146 1.00 61.11 C ATOM 121 O LEU A 9 16.921 -14.785 -12.616 1.00 52.11 O ATOM 122 CB LEU A 9 18.176 -12.035 -13.703 1.00 1.44 C ATOM 123 CG LEU A 9 19.631 -12.493 -13.806 1.00 21.44 C ATOM 124 CD1 LEU A 9 20.141 -12.335 -15.229 1.00 43.25 C ATOM 125 CD2 LEU A 9 20.506 -11.715 -12.834 1.00 11.12 C ATOM 0 H LEU A 9 18.549 -10.909 -11.545 1.00 22.02 H new ATOM 0 HA LEU A 9 16.362 -12.287 -12.576 1.00 71.34 H new ATOM 0 HB2 LEU A 9 17.631 -12.427 -14.562 1.00 1.44 H new ATOM 0 HB3 LEU A 9 18.152 -10.948 -13.780 1.00 1.44 H new ATOM 0 HG LEU A 9 19.678 -13.549 -13.540 1.00 21.44 H new ATOM 0 HD11 LEU A 9 21.178 -12.666 -15.283 1.00 43.25 H new ATOM 0 HD12 LEU A 9 19.532 -12.938 -15.903 1.00 43.25 H new ATOM 0 HD13 LEU A 9 20.079 -11.287 -15.524 1.00 43.25 H new ATOM 0 HD21 LEU A 9 21.538 -12.055 -12.922 1.00 11.12 H new ATOM 0 HD22 LEU A 9 20.453 -10.652 -13.068 1.00 11.12 H new ATOM 0 HD23 LEU A 9 20.155 -11.881 -11.816 1.00 11.12 H new ATOM 137 N VAL A 10 18.706 -14.215 -11.371 1.00 22.11 N ATOM 138 CA VAL A 10 19.038 -15.591 -11.020 1.00 11.34 C ATOM 139 C VAL A 10 17.958 -16.208 -10.138 1.00 62.41 C ATOM 140 O VAL A 10 17.921 -17.424 -9.943 1.00 42.52 O ATOM 141 CB VAL A 10 20.391 -15.673 -10.288 1.00 41.44 C ATOM 142 CG1 VAL A 10 21.491 -15.040 -11.127 1.00 53.54 C ATOM 143 CG2 VAL A 10 20.300 -15.007 -8.924 1.00 10.32 C ATOM 0 H VAL A 10 19.333 -13.516 -10.974 1.00 22.11 H new ATOM 0 HA VAL A 10 19.104 -16.149 -11.954 1.00 11.34 H new ATOM 0 HB VAL A 10 20.640 -16.723 -10.138 1.00 41.44 H new ATOM 0 HG11 VAL A 10 22.439 -15.107 -10.594 1.00 53.54 H new ATOM 0 HG12 VAL A 10 21.571 -15.566 -12.078 1.00 53.54 H new ATOM 0 HG13 VAL A 10 21.251 -13.993 -11.311 1.00 53.54 H new ATOM 0 HG21 VAL A 10 21.265 -15.074 -8.421 1.00 10.32 H new ATOM 0 HG22 VAL A 10 20.028 -13.959 -9.048 1.00 10.32 H new ATOM 0 HG23 VAL A 10 19.542 -15.510 -8.323 1.00 10.32 H new ATOM 153 N TYR A 11 17.081 -15.364 -9.608 1.00 14.10 N ATOM 154 CA TYR A 11 16.000 -15.826 -8.745 1.00 61.30 C ATOM 155 C TYR A 11 14.720 -16.045 -9.545 1.00 74.00 C ATOM 156 O TYR A 11 13.944 -16.959 -9.261 1.00 63.10 O ATOM 157 CB TYR A 11 15.748 -14.818 -7.623 1.00 52.53 C ATOM 158 CG TYR A 11 14.285 -14.499 -7.413 1.00 52.12 C ATOM 159 CD1 TYR A 11 13.660 -13.497 -8.145 1.00 50.33 C ATOM 160 CD2 TYR A 11 13.528 -15.199 -6.482 1.00 54.12 C ATOM 161 CE1 TYR A 11 12.324 -13.201 -7.956 1.00 73.44 C ATOM 162 CE2 TYR A 11 12.190 -14.912 -6.288 1.00 5.53 C ATOM 163 CZ TYR A 11 11.593 -13.912 -7.027 1.00 1.11 C ATOM 164 OH TYR A 11 10.262 -13.622 -6.835 1.00 52.31 O ATOM 0 H TYR A 11 17.097 -14.356 -9.761 1.00 14.10 H new ATOM 0 HA TYR A 11 16.301 -16.778 -8.307 1.00 61.30 H new ATOM 0 HB2 TYR A 11 16.163 -15.210 -6.694 1.00 52.53 H new ATOM 0 HB3 TYR A 11 16.284 -13.896 -7.847 1.00 52.53 H new ATOM 0 HD1 TYR A 11 14.229 -12.940 -8.875 1.00 50.33 H new ATOM 0 HD2 TYR A 11 13.993 -15.981 -5.900 1.00 54.12 H new ATOM 0 HE1 TYR A 11 11.855 -12.417 -8.532 1.00 73.44 H new ATOM 0 HE2 TYR A 11 11.615 -15.468 -5.562 1.00 5.53 H new ATOM 0 HH TYR A 11 9.714 -14.362 -7.170 1.00 52.31 H new ATOM 174 N LEU A 12 14.505 -15.200 -10.547 1.00 54.02 N ATOM 175 CA LEU A 12 13.319 -15.300 -11.391 1.00 14.52 C ATOM 176 C LEU A 12 13.156 -16.715 -11.936 1.00 54.43 C ATOM 177 O LEU A 12 12.040 -17.170 -12.185 1.00 0.22 O ATOM 178 CB LEU A 12 13.406 -14.302 -12.547 1.00 51.11 C ATOM 179 CG LEU A 12 12.776 -12.931 -12.300 1.00 1.35 C ATOM 180 CD1 LEU A 12 13.290 -11.917 -13.310 1.00 3.12 C ATOM 181 CD2 LEU A 12 11.258 -13.022 -12.358 1.00 63.44 C ATOM 0 H LEU A 12 15.136 -14.438 -10.795 1.00 54.02 H new ATOM 0 HA LEU A 12 12.448 -15.064 -10.780 1.00 14.52 H new ATOM 0 HB2 LEU A 12 14.457 -14.157 -12.797 1.00 51.11 H new ATOM 0 HB3 LEU A 12 12.929 -14.746 -13.421 1.00 51.11 H new ATOM 0 HG LEU A 12 13.062 -12.597 -11.303 1.00 1.35 H new ATOM 0 HD11 LEU A 12 12.830 -10.947 -13.118 1.00 3.12 H new ATOM 0 HD12 LEU A 12 14.373 -11.830 -13.219 1.00 3.12 H new ATOM 0 HD13 LEU A 12 13.036 -12.246 -14.318 1.00 3.12 H new ATOM 0 HD21 LEU A 12 10.827 -12.037 -12.180 1.00 63.44 H new ATOM 0 HD22 LEU A 12 10.952 -13.379 -13.341 1.00 63.44 H new ATOM 0 HD23 LEU A 12 10.906 -13.715 -11.594 1.00 63.44 H new ATOM 193 N ASN A 13 14.276 -17.406 -12.118 1.00 41.11 N ATOM 194 CA ASN A 13 14.257 -18.770 -12.632 1.00 63.55 C ATOM 195 C ASN A 13 14.075 -19.776 -11.500 1.00 33.30 C ATOM 196 O ASN A 13 13.289 -20.717 -11.611 1.00 73.24 O ATOM 197 CB ASN A 13 15.552 -19.069 -13.391 1.00 72.44 C ATOM 198 CG ASN A 13 15.675 -18.257 -14.666 1.00 65.10 C ATOM 199 OD1 ASN A 13 16.641 -17.516 -14.852 1.00 32.12 O ATOM 200 ND2 ASN A 13 14.695 -18.393 -15.552 1.00 23.25 N ATOM 0 H ASN A 13 15.208 -17.044 -11.917 1.00 41.11 H new ATOM 0 HA ASN A 13 13.413 -18.862 -13.315 1.00 63.55 H new ATOM 0 HB2 ASN A 13 16.405 -18.859 -12.746 1.00 72.44 H new ATOM 0 HB3 ASN A 13 15.590 -20.131 -13.634 1.00 72.44 H new ATOM 0 HD21 ASN A 13 14.724 -17.872 -16.428 1.00 23.25 H new ATOM 0 HD22 ASN A 13 13.914 -19.019 -15.356 1.00 23.25 H new ATOM 207 N VAL A 14 14.806 -19.570 -10.409 1.00 62.53 N ATOM 208 CA VAL A 14 14.724 -20.458 -9.255 1.00 43.41 C ATOM 209 C VAL A 14 13.308 -20.496 -8.691 1.00 64.32 C ATOM 210 O VAL A 14 12.874 -21.510 -8.145 1.00 64.35 O ATOM 211 CB VAL A 14 15.697 -20.022 -8.143 1.00 35.44 C ATOM 212 CG1 VAL A 14 15.339 -20.697 -6.827 1.00 64.30 C ATOM 213 CG2 VAL A 14 17.132 -20.333 -8.538 1.00 60.44 C ATOM 0 H VAL A 14 15.462 -18.796 -10.300 1.00 62.53 H new ATOM 0 HA VAL A 14 15.001 -21.454 -9.600 1.00 43.41 H new ATOM 0 HB VAL A 14 15.608 -18.944 -8.008 1.00 35.44 H new ATOM 0 HG11 VAL A 14 16.037 -20.378 -6.053 1.00 64.30 H new ATOM 0 HG12 VAL A 14 14.325 -20.419 -6.539 1.00 64.30 H new ATOM 0 HG13 VAL A 14 15.398 -21.779 -6.945 1.00 64.30 H new ATOM 0 HG21 VAL A 14 17.805 -20.018 -7.741 1.00 60.44 H new ATOM 0 HG22 VAL A 14 17.240 -21.405 -8.702 1.00 60.44 H new ATOM 0 HG23 VAL A 14 17.381 -19.799 -9.455 1.00 60.44 H new ATOM 223 N MET A 15 12.593 -19.385 -8.827 1.00 54.24 N ATOM 224 CA MET A 15 11.224 -19.292 -8.333 1.00 31.44 C ATOM 225 C MET A 15 10.280 -20.134 -9.185 1.00 33.20 C ATOM 226 O MET A 15 9.630 -21.052 -8.685 1.00 10.32 O ATOM 227 CB MET A 15 10.759 -17.835 -8.324 1.00 43.21 C ATOM 228 CG MET A 15 9.308 -17.662 -7.907 1.00 52.01 C ATOM 229 SD MET A 15 8.716 -15.974 -8.135 1.00 30.14 S ATOM 230 CE MET A 15 8.960 -15.764 -9.896 1.00 63.25 C ATOM 0 H MET A 15 12.938 -18.536 -9.275 1.00 54.24 H new ATOM 0 HA MET A 15 11.206 -19.677 -7.313 1.00 31.44 H new ATOM 0 HB2 MET A 15 11.394 -17.264 -7.646 1.00 43.21 H new ATOM 0 HB3 MET A 15 10.895 -17.413 -9.320 1.00 43.21 H new ATOM 0 HG2 MET A 15 8.684 -18.343 -8.486 1.00 52.01 H new ATOM 0 HG3 MET A 15 9.199 -17.943 -6.859 1.00 52.01 H new ATOM 0 HE1 MET A 15 8.116 -15.218 -10.318 1.00 63.25 H new ATOM 0 HE2 MET A 15 9.879 -15.205 -10.072 1.00 63.25 H new ATOM 0 HE3 MET A 15 9.033 -16.742 -10.372 1.00 63.25 H new ATOM 240 N GLU A 16 10.209 -19.815 -10.474 1.00 23.14 N ATOM 241 CA GLU A 16 9.343 -20.543 -11.394 1.00 0.52 C ATOM 242 C GLU A 16 9.586 -22.046 -11.296 1.00 52.10 C ATOM 243 O GLU A 16 8.680 -22.849 -11.526 1.00 3.21 O ATOM 244 CB GLU A 16 9.576 -20.070 -12.830 1.00 40.52 C ATOM 245 CG GLU A 16 10.993 -20.304 -13.326 1.00 2.42 C ATOM 246 CD GLU A 16 11.136 -20.069 -14.817 1.00 71.21 C ATOM 247 OE1 GLU A 16 10.116 -20.156 -15.532 1.00 51.11 O ATOM 248 OE2 GLU A 16 12.268 -19.799 -15.269 1.00 5.22 O ATOM 0 H GLU A 16 10.740 -19.058 -10.904 1.00 23.14 H new ATOM 0 HA GLU A 16 8.309 -20.341 -11.116 1.00 0.52 H new ATOM 0 HB2 GLU A 16 8.879 -20.585 -13.491 1.00 40.52 H new ATOM 0 HB3 GLU A 16 9.349 -19.006 -12.894 1.00 40.52 H new ATOM 0 HG2 GLU A 16 11.675 -19.643 -12.791 1.00 2.42 H new ATOM 0 HG3 GLU A 16 11.291 -21.326 -13.093 1.00 2.42 H new ATOM 255 N LEU A 17 10.814 -22.420 -10.954 1.00 53.21 N ATOM 256 CA LEU A 17 11.177 -23.827 -10.826 1.00 44.30 C ATOM 257 C LEU A 17 10.535 -24.445 -9.588 1.00 51.33 C ATOM 258 O LEU A 17 9.975 -25.540 -9.647 1.00 43.44 O ATOM 259 CB LEU A 17 12.698 -23.976 -10.754 1.00 20.31 C ATOM 260 CG LEU A 17 13.224 -25.400 -10.569 1.00 4.01 C ATOM 261 CD1 LEU A 17 14.565 -25.568 -11.267 1.00 73.45 C ATOM 262 CD2 LEU A 17 13.346 -25.736 -9.090 1.00 11.43 C ATOM 0 H LEU A 17 11.575 -21.769 -10.760 1.00 53.21 H new ATOM 0 HA LEU A 17 10.807 -24.354 -11.705 1.00 44.30 H new ATOM 0 HB2 LEU A 17 13.127 -23.567 -11.669 1.00 20.31 H new ATOM 0 HB3 LEU A 17 13.064 -23.365 -9.929 1.00 20.31 H new ATOM 0 HG LEU A 17 12.512 -26.091 -11.021 1.00 4.01 H new ATOM 0 HD11 LEU A 17 14.924 -26.587 -11.125 1.00 73.45 H new ATOM 0 HD12 LEU A 17 14.448 -25.370 -12.332 1.00 73.45 H new ATOM 0 HD13 LEU A 17 15.285 -24.867 -10.845 1.00 73.45 H new ATOM 0 HD21 LEU A 17 13.722 -26.753 -8.978 1.00 11.43 H new ATOM 0 HD22 LEU A 17 14.037 -25.040 -8.614 1.00 11.43 H new ATOM 0 HD23 LEU A 17 12.367 -25.656 -8.617 1.00 11.43 H new ATOM 274 N VAL A 18 10.618 -23.734 -8.468 1.00 34.43 N ATOM 275 CA VAL A 18 10.041 -24.211 -7.216 1.00 64.21 C ATOM 276 C VAL A 18 8.554 -24.508 -7.373 1.00 64.05 C ATOM 277 O VAL A 18 7.990 -25.312 -6.631 1.00 55.35 O ATOM 278 CB VAL A 18 10.232 -23.185 -6.084 1.00 12.33 C ATOM 279 CG1 VAL A 18 9.602 -23.689 -4.794 1.00 64.21 C ATOM 280 CG2 VAL A 18 11.709 -22.881 -5.883 1.00 32.43 C ATOM 0 H VAL A 18 11.079 -22.826 -8.402 1.00 34.43 H new ATOM 0 HA VAL A 18 10.566 -25.130 -6.956 1.00 64.21 H new ATOM 0 HB VAL A 18 9.730 -22.260 -6.368 1.00 12.33 H new ATOM 0 HG11 VAL A 18 9.747 -22.951 -4.005 1.00 64.21 H new ATOM 0 HG12 VAL A 18 8.535 -23.850 -4.949 1.00 64.21 H new ATOM 0 HG13 VAL A 18 10.072 -24.628 -4.502 1.00 64.21 H new ATOM 0 HG21 VAL A 18 11.825 -22.154 -5.079 1.00 32.43 H new ATOM 0 HG22 VAL A 18 12.237 -23.798 -5.622 1.00 32.43 H new ATOM 0 HG23 VAL A 18 12.125 -22.473 -6.804 1.00 32.43 H new ATOM 290 N ARG A 19 7.926 -23.854 -8.345 1.00 33.30 N ATOM 291 CA ARG A 19 6.503 -24.048 -8.600 1.00 3.43 C ATOM 292 C ARG A 19 6.273 -25.245 -9.517 1.00 61.01 C ATOM 293 O ARG A 19 5.453 -26.115 -9.225 1.00 24.14 O ATOM 294 CB ARG A 19 5.900 -22.789 -9.225 1.00 52.24 C ATOM 295 CG ARG A 19 4.469 -22.972 -9.703 1.00 73.34 C ATOM 296 CD ARG A 19 3.696 -21.663 -9.664 1.00 62.13 C ATOM 297 NE ARG A 19 2.254 -21.881 -9.596 1.00 14.41 N ATOM 298 CZ ARG A 19 1.527 -22.315 -10.619 1.00 74.22 C ATOM 299 NH1 ARG A 19 2.105 -22.578 -11.783 1.00 54.32 N ATOM 300 NH2 ARG A 19 0.219 -22.489 -10.479 1.00 55.50 N ATOM 0 H ARG A 19 8.379 -23.186 -8.968 1.00 33.30 H new ATOM 0 HA ARG A 19 6.012 -24.244 -7.647 1.00 3.43 H new ATOM 0 HB2 ARG A 19 5.929 -21.981 -8.494 1.00 52.24 H new ATOM 0 HB3 ARG A 19 6.519 -22.480 -10.067 1.00 52.24 H new ATOM 0 HG2 ARG A 19 4.471 -23.364 -10.720 1.00 73.34 H new ATOM 0 HG3 ARG A 19 3.967 -23.711 -9.078 1.00 73.34 H new ATOM 0 HD2 ARG A 19 4.015 -21.079 -8.801 1.00 62.13 H new ATOM 0 HD3 ARG A 19 3.932 -21.076 -10.551 1.00 62.13 H new ATOM 0 HE ARG A 19 1.779 -21.689 -8.714 1.00 14.41 H new ATOM 0 HH11 ARG A 19 3.110 -22.447 -11.894 1.00 54.32 H new ATOM 0 HH12 ARG A 19 1.544 -22.911 -12.567 1.00 54.32 H new ATOM 0 HH21 ARG A 19 -0.229 -22.289 -9.585 1.00 55.50 H new ATOM 0 HH22 ARG A 19 -0.338 -22.822 -11.266 1.00 55.50 H new ATOM 314 N ALA A 20 7.002 -25.282 -10.628 1.00 12.41 N ATOM 315 CA ALA A 20 6.878 -26.372 -11.587 1.00 62.20 C ATOM 316 C ALA A 20 7.327 -27.695 -10.975 1.00 44.12 C ATOM 317 O ALA A 20 6.906 -28.767 -11.411 1.00 1.45 O ATOM 318 CB ALA A 20 7.685 -26.067 -12.840 1.00 64.01 C ATOM 0 H ALA A 20 7.685 -24.569 -10.886 1.00 12.41 H new ATOM 0 HA ALA A 20 5.827 -26.466 -11.859 1.00 62.20 H new ATOM 0 HB1 ALA A 20 7.583 -26.890 -13.548 1.00 64.01 H new ATOM 0 HB2 ALA A 20 7.316 -25.148 -13.296 1.00 64.01 H new ATOM 0 HB3 ALA A 20 8.735 -25.944 -12.575 1.00 64.01 H new ATOM 324 N VAL A 21 8.186 -27.612 -9.964 1.00 33.54 N ATOM 325 CA VAL A 21 8.692 -28.803 -9.292 1.00 31.34 C ATOM 326 C VAL A 21 7.768 -29.228 -8.156 1.00 11.13 C ATOM 327 O VAL A 21 7.813 -30.371 -7.698 1.00 3.52 O ATOM 328 CB VAL A 21 10.107 -28.571 -8.728 1.00 74.34 C ATOM 329 CG1 VAL A 21 10.068 -27.575 -7.580 1.00 55.41 C ATOM 330 CG2 VAL A 21 10.724 -29.888 -8.282 1.00 2.22 C ATOM 0 H VAL A 21 8.546 -26.733 -9.592 1.00 33.54 H new ATOM 0 HA VAL A 21 8.732 -29.595 -10.040 1.00 31.34 H new ATOM 0 HB VAL A 21 10.731 -28.153 -9.518 1.00 74.34 H new ATOM 0 HG11 VAL A 21 11.076 -27.424 -7.195 1.00 55.41 H new ATOM 0 HG12 VAL A 21 9.670 -26.625 -7.936 1.00 55.41 H new ATOM 0 HG13 VAL A 21 9.430 -27.961 -6.785 1.00 55.41 H new ATOM 0 HG21 VAL A 21 11.723 -29.706 -7.886 1.00 2.22 H new ATOM 0 HG22 VAL A 21 10.103 -30.337 -7.507 1.00 2.22 H new ATOM 0 HG23 VAL A 21 10.789 -30.566 -9.133 1.00 2.22 H new ATOM 340 N LEU A 22 6.929 -28.301 -7.705 1.00 24.40 N ATOM 341 CA LEU A 22 5.992 -28.579 -6.622 1.00 25.32 C ATOM 342 C LEU A 22 4.671 -29.109 -7.168 1.00 34.42 C ATOM 343 O LEU A 22 3.967 -29.861 -6.494 1.00 22.21 O ATOM 344 CB LEU A 22 5.746 -27.315 -5.797 1.00 43.20 C ATOM 345 CG LEU A 22 6.522 -27.209 -4.484 1.00 11.45 C ATOM 346 CD1 LEU A 22 6.606 -25.760 -4.029 1.00 14.23 C ATOM 347 CD2 LEU A 22 5.873 -28.070 -3.410 1.00 0.11 C ATOM 0 H LEU A 22 6.879 -27.351 -8.073 1.00 24.40 H new ATOM 0 HA LEU A 22 6.432 -29.343 -5.981 1.00 25.32 H new ATOM 0 HB2 LEU A 22 5.993 -26.450 -6.412 1.00 43.20 H new ATOM 0 HB3 LEU A 22 4.681 -27.253 -5.572 1.00 43.20 H new ATOM 0 HG LEU A 22 7.535 -27.575 -4.652 1.00 11.45 H new ATOM 0 HD11 LEU A 22 7.162 -25.704 -3.093 1.00 14.23 H new ATOM 0 HD12 LEU A 22 7.116 -25.169 -4.790 1.00 14.23 H new ATOM 0 HD13 LEU A 22 5.601 -25.367 -3.878 1.00 14.23 H new ATOM 0 HD21 LEU A 22 6.439 -27.982 -2.482 1.00 0.11 H new ATOM 0 HD22 LEU A 22 4.849 -27.734 -3.244 1.00 0.11 H new ATOM 0 HD23 LEU A 22 5.866 -29.111 -3.733 1.00 0.11 H new ATOM 359 N GLU A 23 4.341 -28.714 -8.393 1.00 50.44 N ATOM 360 CA GLU A 23 3.104 -29.151 -9.030 1.00 11.33 C ATOM 361 C GLU A 23 3.176 -30.629 -9.400 1.00 74.31 C ATOM 362 O GLU A 23 2.165 -31.333 -9.392 1.00 15.13 O ATOM 363 CB GLU A 23 2.824 -28.314 -10.280 1.00 11.54 C ATOM 364 CG GLU A 23 3.722 -28.657 -11.456 1.00 2.31 C ATOM 365 CD GLU A 23 3.097 -29.674 -12.390 1.00 71.32 C ATOM 366 OE1 GLU A 23 1.862 -29.630 -12.573 1.00 62.34 O ATOM 367 OE2 GLU A 23 3.841 -30.514 -12.938 1.00 22.13 O ATOM 0 H GLU A 23 4.913 -28.092 -8.965 1.00 50.44 H new ATOM 0 HA GLU A 23 2.290 -29.011 -8.319 1.00 11.33 H new ATOM 0 HB2 GLU A 23 1.784 -28.454 -10.575 1.00 11.54 H new ATOM 0 HB3 GLU A 23 2.947 -27.259 -10.035 1.00 11.54 H new ATOM 0 HG2 GLU A 23 3.947 -27.748 -12.013 1.00 2.31 H new ATOM 0 HG3 GLU A 23 4.670 -29.046 -11.083 1.00 2.31 H new ATOM 374 N LEU A 24 4.377 -31.094 -9.725 1.00 52.14 N ATOM 375 CA LEU A 24 4.582 -32.489 -10.100 1.00 11.12 C ATOM 376 C LEU A 24 4.445 -33.404 -8.887 1.00 54.02 C ATOM 377 O LEU A 24 4.055 -34.565 -9.013 1.00 35.04 O ATOM 378 CB LEU A 24 5.962 -32.669 -10.735 1.00 74.34 C ATOM 379 CG LEU A 24 7.146 -32.708 -9.769 1.00 71.00 C ATOM 380 CD1 LEU A 24 7.401 -34.130 -9.293 1.00 55.14 C ATOM 381 CD2 LEU A 24 8.391 -32.133 -10.428 1.00 62.23 C ATOM 0 H LEU A 24 5.224 -30.526 -9.736 1.00 52.14 H new ATOM 0 HA LEU A 24 3.816 -32.761 -10.826 1.00 11.12 H new ATOM 0 HB2 LEU A 24 5.957 -33.595 -11.310 1.00 74.34 H new ATOM 0 HB3 LEU A 24 6.123 -31.856 -11.443 1.00 74.34 H new ATOM 0 HG LEU A 24 6.902 -32.095 -8.901 1.00 71.00 H new ATOM 0 HD11 LEU A 24 8.247 -34.138 -8.606 1.00 55.14 H new ATOM 0 HD12 LEU A 24 6.515 -34.507 -8.781 1.00 55.14 H new ATOM 0 HD13 LEU A 24 7.623 -34.766 -10.150 1.00 55.14 H new ATOM 0 HD21 LEU A 24 9.224 -32.169 -9.726 1.00 62.23 H new ATOM 0 HD22 LEU A 24 8.638 -32.719 -11.313 1.00 62.23 H new ATOM 0 HD23 LEU A 24 8.205 -31.099 -10.718 1.00 62.23 H new ATOM 393 N LYS A 25 4.766 -32.873 -7.712 1.00 54.13 N ATOM 394 CA LYS A 25 4.675 -33.639 -6.475 1.00 62.32 C ATOM 395 C LYS A 25 3.302 -34.289 -6.337 1.00 22.20 C ATOM 396 O LYS A 25 3.195 -35.493 -6.108 1.00 64.20 O ATOM 397 CB LYS A 25 4.947 -32.736 -5.270 1.00 43.13 C ATOM 398 CG LYS A 25 6.409 -32.355 -5.114 1.00 2.24 C ATOM 399 CD LYS A 25 6.619 -31.424 -3.931 1.00 22.31 C ATOM 400 CE LYS A 25 6.390 -32.142 -2.610 1.00 3.05 C ATOM 401 NZ LYS A 25 6.642 -31.251 -1.443 1.00 42.34 N ATOM 0 H LYS A 25 5.092 -31.914 -7.591 1.00 54.13 H new ATOM 0 HA LYS A 25 5.428 -34.426 -6.509 1.00 62.32 H new ATOM 0 HB2 LYS A 25 4.352 -31.828 -5.365 1.00 43.13 H new ATOM 0 HB3 LYS A 25 4.613 -33.242 -4.364 1.00 43.13 H new ATOM 0 HG2 LYS A 25 7.008 -33.256 -4.981 1.00 2.24 H new ATOM 0 HG3 LYS A 25 6.759 -31.871 -6.026 1.00 2.24 H new ATOM 0 HD2 LYS A 25 7.632 -31.023 -3.958 1.00 22.31 H new ATOM 0 HD3 LYS A 25 5.938 -30.576 -4.008 1.00 22.31 H new ATOM 0 HE2 LYS A 25 5.365 -32.511 -2.570 1.00 3.05 H new ATOM 0 HE3 LYS A 25 7.045 -33.012 -2.551 1.00 3.05 H new ATOM 0 HZ1 LYS A 25 7.117 -31.790 -0.691 1.00 42.34 H new ATOM 0 HZ2 LYS A 25 7.248 -30.458 -1.736 1.00 42.34 H new ATOM 0 HZ3 LYS A 25 5.737 -30.882 -1.086 1.00 42.34 H new ATOM 415 N ASN A 26 2.254 -33.484 -6.479 1.00 43.01 N ATOM 416 CA ASN A 26 0.888 -33.982 -6.371 1.00 13.32 C ATOM 417 C ASN A 26 0.502 -34.785 -7.609 1.00 32.31 C ATOM 418 O ASN A 26 -0.459 -35.553 -7.587 1.00 72.40 O ATOM 419 CB ASN A 26 -0.087 -32.818 -6.180 1.00 33.11 C ATOM 420 CG ASN A 26 0.446 -31.767 -5.226 1.00 24.23 C ATOM 421 OD1 ASN A 26 0.556 -30.592 -5.577 1.00 32.33 O ATOM 422 ND2 ASN A 26 0.782 -32.187 -4.011 1.00 50.23 N ATOM 0 H ASN A 26 2.325 -32.484 -6.669 1.00 43.01 H new ATOM 0 HA ASN A 26 0.835 -34.639 -5.503 1.00 13.32 H new ATOM 0 HB2 ASN A 26 -0.292 -32.357 -7.146 1.00 33.11 H new ATOM 0 HB3 ASN A 26 -1.035 -33.200 -5.802 1.00 33.11 H new ATOM 0 HD21 ASN A 26 1.148 -31.526 -3.326 1.00 50.23 H new ATOM 0 HD22 ASN A 26 0.674 -33.171 -3.763 1.00 50.23 H new ATOM 429 N GLU A 27 1.259 -34.602 -8.686 1.00 73.24 N ATOM 430 CA GLU A 27 0.995 -35.310 -9.934 1.00 22.35 C ATOM 431 C GLU A 27 1.560 -36.727 -9.885 1.00 3.13 C ATOM 432 O GLU A 27 1.325 -37.533 -10.786 1.00 42.21 O ATOM 433 CB GLU A 27 1.599 -34.549 -11.116 1.00 10.05 C ATOM 434 CG GLU A 27 0.968 -33.186 -11.348 1.00 61.52 C ATOM 435 CD GLU A 27 -0.253 -33.254 -12.244 1.00 74.51 C ATOM 436 OE1 GLU A 27 -1.323 -33.678 -11.759 1.00 30.31 O ATOM 437 OE2 GLU A 27 -0.139 -32.883 -13.431 1.00 71.21 O ATOM 0 H GLU A 27 2.059 -33.970 -8.720 1.00 73.24 H new ATOM 0 HA GLU A 27 -0.085 -35.372 -10.065 1.00 22.35 H new ATOM 0 HB2 GLU A 27 2.668 -34.421 -10.947 1.00 10.05 H new ATOM 0 HB3 GLU A 27 1.489 -35.150 -12.019 1.00 10.05 H new ATOM 0 HG2 GLU A 27 0.686 -32.752 -10.389 1.00 61.52 H new ATOM 0 HG3 GLU A 27 1.706 -32.520 -11.795 1.00 61.52 H new ATOM 444 N LEU A 28 2.307 -37.023 -8.827 1.00 31.43 N ATOM 445 CA LEU A 28 2.907 -38.342 -8.659 1.00 60.52 C ATOM 446 C LEU A 28 1.860 -39.441 -8.812 1.00 54.33 C ATOM 447 O LEU A 28 2.024 -40.362 -9.612 1.00 52.33 O ATOM 448 CB LEU A 28 3.578 -38.449 -7.288 1.00 75.14 C ATOM 449 CG LEU A 28 4.751 -39.424 -7.189 1.00 61.23 C ATOM 450 CD1 LEU A 28 4.303 -40.836 -7.535 1.00 40.31 C ATOM 451 CD2 LEU A 28 5.888 -38.985 -8.101 1.00 32.12 C ATOM 0 H LEU A 28 2.512 -36.368 -8.073 1.00 31.43 H new ATOM 0 HA LEU A 28 3.660 -38.472 -9.436 1.00 60.52 H new ATOM 0 HB2 LEU A 28 3.930 -37.458 -7.000 1.00 75.14 H new ATOM 0 HB3 LEU A 28 2.824 -38.744 -6.559 1.00 75.14 H new ATOM 0 HG LEU A 28 5.114 -39.422 -6.161 1.00 61.23 H new ATOM 0 HD11 LEU A 28 5.152 -41.516 -7.459 1.00 40.31 H new ATOM 0 HD12 LEU A 28 3.523 -41.150 -6.842 1.00 40.31 H new ATOM 0 HD13 LEU A 28 3.913 -40.855 -8.553 1.00 40.31 H new ATOM 0 HD21 LEU A 28 6.715 -39.691 -8.018 1.00 32.12 H new ATOM 0 HD22 LEU A 28 5.537 -38.957 -9.133 1.00 32.12 H new ATOM 0 HD23 LEU A 28 6.228 -37.992 -7.807 1.00 32.12 H new ATOM 463 N SER A 29 0.782 -39.335 -8.042 1.00 32.04 N ATOM 464 CA SER A 29 -0.292 -40.320 -8.090 1.00 74.04 C ATOM 465 C SER A 29 -1.431 -39.838 -8.984 1.00 71.11 C ATOM 466 O SER A 29 -2.605 -39.997 -8.650 1.00 40.15 O ATOM 467 CB SER A 29 -0.819 -40.602 -6.682 1.00 23.01 C ATOM 468 OG SER A 29 -1.765 -41.657 -6.693 1.00 11.33 O ATOM 0 H SER A 29 0.629 -38.577 -7.377 1.00 32.04 H new ATOM 0 HA SER A 29 0.112 -41.241 -8.510 1.00 74.04 H new ATOM 0 HB2 SER A 29 0.011 -40.861 -6.025 1.00 23.01 H new ATOM 0 HB3 SER A 29 -1.279 -39.701 -6.275 1.00 23.01 H new ATOM 0 HG SER A 29 -2.488 -41.442 -7.319 1.00 11.33 H new ATOM 474 N GLN A 30 -1.074 -39.249 -10.121 1.00 12.03 N ATOM 475 CA GLN A 30 -2.066 -38.743 -11.063 1.00 3.05 C ATOM 476 C GLN A 30 -1.779 -39.242 -12.475 1.00 12.20 C ATOM 477 O GLN A 30 -2.577 -39.976 -13.059 1.00 53.24 O ATOM 478 CB GLN A 30 -2.085 -37.214 -11.043 1.00 44.41 C ATOM 479 CG GLN A 30 -2.423 -36.627 -9.682 1.00 55.44 C ATOM 480 CD GLN A 30 -3.888 -36.788 -9.326 1.00 10.43 C ATOM 481 OE1 GLN A 30 -4.743 -36.051 -9.817 1.00 53.42 O ATOM 482 NE2 GLN A 30 -4.185 -37.755 -8.466 1.00 73.21 N ATOM 0 H GLN A 30 -0.106 -39.110 -10.412 1.00 12.03 H new ATOM 0 HA GLN A 30 -3.044 -39.115 -10.758 1.00 3.05 H new ATOM 0 HB2 GLN A 30 -1.110 -36.843 -11.357 1.00 44.41 H new ATOM 0 HB3 GLN A 30 -2.812 -36.858 -11.773 1.00 44.41 H new ATOM 0 HG2 GLN A 30 -1.812 -37.111 -8.920 1.00 55.44 H new ATOM 0 HG3 GLN A 30 -2.165 -35.568 -9.673 1.00 55.44 H new ATOM 0 HE21 GLN A 30 -3.444 -38.343 -8.084 1.00 73.21 H new ATOM 0 HE22 GLN A 30 -5.154 -37.910 -8.188 1.00 73.21 H new ATOM 491 N LEU A 31 -0.636 -38.839 -13.019 1.00 11.03 N ATOM 492 CA LEU A 31 -0.244 -39.245 -14.364 1.00 3.11 C ATOM 493 C LEU A 31 0.709 -40.435 -14.317 1.00 72.44 C ATOM 494 O LEU A 31 1.346 -40.713 -13.301 1.00 14.11 O ATOM 495 CB LEU A 31 0.417 -38.077 -15.098 1.00 1.10 C ATOM 496 CG LEU A 31 -0.529 -37.111 -15.811 1.00 54.15 C ATOM 497 CD1 LEU A 31 -0.124 -35.670 -15.542 1.00 50.05 C ATOM 498 CD2 LEU A 31 -0.549 -37.391 -17.307 1.00 53.11 C ATOM 0 H LEU A 31 0.035 -38.232 -12.549 1.00 11.03 H new ATOM 0 HA LEU A 31 -1.143 -39.543 -14.904 1.00 3.11 H new ATOM 0 HB2 LEU A 31 1.009 -37.510 -14.379 1.00 1.10 H new ATOM 0 HB3 LEU A 31 1.112 -38.483 -15.833 1.00 1.10 H new ATOM 0 HG LEU A 31 -1.535 -37.263 -15.419 1.00 54.15 H new ATOM 0 HD11 LEU A 31 -0.809 -34.997 -16.058 1.00 50.05 H new ATOM 0 HD12 LEU A 31 -0.162 -35.475 -14.470 1.00 50.05 H new ATOM 0 HD13 LEU A 31 0.890 -35.503 -15.905 1.00 50.05 H new ATOM 0 HD21 LEU A 31 -1.228 -36.694 -17.799 1.00 53.11 H new ATOM 0 HD22 LEU A 31 0.455 -37.268 -17.714 1.00 53.11 H new ATOM 0 HD23 LEU A 31 -0.888 -38.412 -17.482 1.00 53.11 H new ATOM 510 N PRO A 32 0.812 -41.156 -15.444 1.00 53.42 N ATOM 511 CA PRO A 32 1.687 -42.326 -15.558 1.00 74.33 C ATOM 512 C PRO A 32 3.164 -41.949 -15.548 1.00 50.04 C ATOM 513 O PRO A 32 3.532 -40.782 -15.682 1.00 3.22 O ATOM 514 CB PRO A 32 1.298 -42.929 -16.911 1.00 33.25 C ATOM 515 CG PRO A 32 0.752 -41.785 -17.693 1.00 1.32 C ATOM 516 CD PRO A 32 0.082 -40.882 -16.694 1.00 22.32 C ATOM 0 HA PRO A 32 1.563 -43.011 -14.719 1.00 74.33 H new ATOM 0 HB2 PRO A 32 2.160 -43.373 -17.409 1.00 33.25 H new ATOM 0 HB3 PRO A 32 0.556 -43.719 -16.794 1.00 33.25 H new ATOM 0 HG2 PRO A 32 1.547 -41.260 -18.222 1.00 1.32 H new ATOM 0 HG3 PRO A 32 0.042 -42.130 -18.445 1.00 1.32 H new ATOM 0 HD2 PRO A 32 0.160 -39.834 -16.984 1.00 22.32 H new ATOM 0 HD3 PRO A 32 -0.980 -41.108 -16.597 1.00 22.32 H new ATOM 524 N PRO A 33 4.032 -42.958 -15.387 1.00 63.52 N ATOM 525 CA PRO A 33 5.484 -42.757 -15.357 1.00 51.22 C ATOM 526 C PRO A 33 6.043 -42.364 -16.720 1.00 70.14 C ATOM 527 O PRO A 33 6.790 -41.393 -16.838 1.00 74.23 O ATOM 528 CB PRO A 33 6.023 -44.125 -14.932 1.00 4.20 C ATOM 529 CG PRO A 33 4.977 -45.095 -15.360 1.00 53.43 C ATOM 530 CD PRO A 33 3.664 -44.375 -15.222 1.00 52.43 C ATOM 0 HA PRO A 33 5.769 -41.945 -14.688 1.00 51.22 H new ATOM 0 HB2 PRO A 33 6.980 -44.339 -15.409 1.00 4.20 H new ATOM 0 HB3 PRO A 33 6.186 -44.169 -13.855 1.00 4.20 H new ATOM 0 HG2 PRO A 33 5.140 -45.416 -16.389 1.00 53.43 H new ATOM 0 HG3 PRO A 33 4.998 -45.991 -14.739 1.00 53.43 H new ATOM 0 HD2 PRO A 33 2.949 -44.695 -15.980 1.00 52.43 H new ATOM 0 HD3 PRO A 33 3.204 -44.560 -14.251 1.00 52.43 H new ATOM 538 N GLU A 34 5.676 -43.125 -17.747 1.00 50.20 N ATOM 539 CA GLU A 34 6.142 -42.855 -19.102 1.00 42.10 C ATOM 540 C GLU A 34 5.671 -41.483 -19.576 1.00 72.35 C ATOM 541 O GLU A 34 6.203 -40.930 -20.538 1.00 4.04 O ATOM 542 CB GLU A 34 5.644 -43.938 -20.062 1.00 2.43 C ATOM 543 CG GLU A 34 6.028 -45.346 -19.642 1.00 63.50 C ATOM 544 CD GLU A 34 5.264 -46.411 -20.404 1.00 72.24 C ATOM 545 OE1 GLU A 34 5.544 -46.594 -21.608 1.00 34.42 O ATOM 546 OE2 GLU A 34 4.386 -47.061 -19.799 1.00 2.34 O ATOM 0 H GLU A 34 5.058 -43.932 -17.666 1.00 50.20 H new ATOM 0 HA GLU A 34 7.232 -42.862 -19.092 1.00 42.10 H new ATOM 0 HB2 GLU A 34 4.559 -43.874 -20.137 1.00 2.43 H new ATOM 0 HB3 GLU A 34 6.045 -43.742 -21.057 1.00 2.43 H new ATOM 0 HG2 GLU A 34 7.097 -45.489 -19.799 1.00 63.50 H new ATOM 0 HG3 GLU A 34 5.844 -45.466 -18.574 1.00 63.50 H new ATOM 553 N GLY A 35 4.667 -40.940 -18.895 1.00 34.45 N ATOM 554 CA GLY A 35 4.139 -39.639 -19.261 1.00 2.02 C ATOM 555 C GLY A 35 4.498 -38.564 -18.254 1.00 40.23 C ATOM 556 O GLY A 35 3.987 -37.446 -18.321 1.00 14.21 O ATOM 0 H GLY A 35 4.209 -41.378 -18.096 1.00 34.45 H new ATOM 0 HA2 GLY A 35 4.523 -39.357 -20.241 1.00 2.02 H new ATOM 0 HA3 GLY A 35 3.054 -39.702 -19.350 1.00 2.02 H new ATOM 560 N TYR A 36 5.378 -38.902 -17.319 1.00 1.15 N ATOM 561 CA TYR A 36 5.802 -37.958 -16.291 1.00 34.10 C ATOM 562 C TYR A 36 7.268 -37.577 -16.473 1.00 15.44 C ATOM 563 O TYR A 36 7.699 -36.504 -16.050 1.00 41.22 O ATOM 564 CB TYR A 36 5.587 -38.557 -14.900 1.00 5.43 C ATOM 565 CG TYR A 36 6.482 -37.957 -13.838 1.00 51.13 C ATOM 566 CD1 TYR A 36 7.753 -38.467 -13.603 1.00 74.00 C ATOM 567 CD2 TYR A 36 6.056 -36.879 -13.071 1.00 63.24 C ATOM 568 CE1 TYR A 36 8.573 -37.923 -12.634 1.00 14.42 C ATOM 569 CE2 TYR A 36 6.870 -36.327 -12.101 1.00 22.41 C ATOM 570 CZ TYR A 36 8.127 -36.853 -11.886 1.00 1.14 C ATOM 571 OH TYR A 36 8.942 -36.307 -10.920 1.00 54.12 O ATOM 0 H TYR A 36 5.812 -39.823 -17.251 1.00 1.15 H new ATOM 0 HA TYR A 36 5.197 -37.057 -16.388 1.00 34.10 H new ATOM 0 HB2 TYR A 36 4.546 -38.415 -14.609 1.00 5.43 H new ATOM 0 HB3 TYR A 36 5.761 -39.632 -14.945 1.00 5.43 H new ATOM 0 HD1 TYR A 36 8.106 -39.303 -14.188 1.00 74.00 H new ATOM 0 HD2 TYR A 36 5.072 -36.466 -13.236 1.00 63.24 H new ATOM 0 HE1 TYR A 36 9.557 -38.333 -12.463 1.00 14.42 H new ATOM 0 HE2 TYR A 36 6.524 -35.489 -11.514 1.00 22.41 H new ATOM 0 HH TYR A 36 8.676 -36.644 -10.039 1.00 54.12 H new ATOM 581 N VAL A 37 8.029 -38.464 -17.105 1.00 41.54 N ATOM 582 CA VAL A 37 9.447 -38.221 -17.346 1.00 15.22 C ATOM 583 C VAL A 37 9.661 -36.909 -18.093 1.00 35.14 C ATOM 584 O VAL A 37 10.681 -36.243 -17.919 1.00 11.51 O ATOM 585 CB VAL A 37 10.083 -39.368 -18.152 1.00 45.05 C ATOM 586 CG1 VAL A 37 9.528 -39.398 -19.568 1.00 71.11 C ATOM 587 CG2 VAL A 37 11.598 -39.230 -18.168 1.00 64.52 C ATOM 0 H VAL A 37 7.688 -39.358 -17.460 1.00 41.54 H new ATOM 0 HA VAL A 37 9.929 -38.162 -16.370 1.00 15.22 H new ATOM 0 HB VAL A 37 9.831 -40.312 -17.669 1.00 45.05 H new ATOM 0 HG11 VAL A 37 9.989 -40.215 -20.122 1.00 71.11 H new ATOM 0 HG12 VAL A 37 8.449 -39.547 -19.533 1.00 71.11 H new ATOM 0 HG13 VAL A 37 9.748 -38.453 -20.065 1.00 71.11 H new ATOM 0 HG21 VAL A 37 12.032 -40.049 -18.742 1.00 64.52 H new ATOM 0 HG22 VAL A 37 11.872 -38.280 -18.627 1.00 64.52 H new ATOM 0 HG23 VAL A 37 11.977 -39.262 -17.147 1.00 64.52 H new ATOM 597 N VAL A 38 8.691 -36.543 -18.925 1.00 32.30 N ATOM 598 CA VAL A 38 8.772 -35.310 -19.698 1.00 53.30 C ATOM 599 C VAL A 38 8.612 -34.088 -18.801 1.00 1.51 C ATOM 600 O VAL A 38 9.042 -32.988 -19.149 1.00 44.10 O ATOM 601 CB VAL A 38 7.697 -35.267 -20.801 1.00 24.10 C ATOM 602 CG1 VAL A 38 7.800 -33.975 -21.597 1.00 11.12 C ATOM 603 CG2 VAL A 38 7.824 -36.477 -21.714 1.00 50.14 C ATOM 0 H VAL A 38 7.840 -37.083 -19.081 1.00 32.30 H new ATOM 0 HA VAL A 38 9.759 -35.291 -20.161 1.00 53.30 H new ATOM 0 HB VAL A 38 6.715 -35.297 -20.329 1.00 24.10 H new ATOM 0 HG11 VAL A 38 7.033 -33.963 -22.371 1.00 11.12 H new ATOM 0 HG12 VAL A 38 7.657 -33.125 -20.930 1.00 11.12 H new ATOM 0 HG13 VAL A 38 8.784 -33.911 -22.060 1.00 11.12 H new ATOM 0 HG21 VAL A 38 7.057 -36.431 -22.487 1.00 50.14 H new ATOM 0 HG22 VAL A 38 8.810 -36.480 -22.180 1.00 50.14 H new ATOM 0 HG23 VAL A 38 7.696 -37.388 -21.130 1.00 50.14 H new ATOM 613 N VAL A 39 7.991 -34.287 -17.643 1.00 33.31 N ATOM 614 CA VAL A 39 7.775 -33.202 -16.694 1.00 2.24 C ATOM 615 C VAL A 39 9.059 -32.866 -15.943 1.00 13.53 C ATOM 616 O VAL A 39 9.324 -31.704 -15.634 1.00 12.32 O ATOM 617 CB VAL A 39 6.676 -33.557 -15.675 1.00 54.22 C ATOM 618 CG1 VAL A 39 6.352 -32.357 -14.799 1.00 13.53 C ATOM 619 CG2 VAL A 39 5.429 -34.057 -16.390 1.00 24.10 C ATOM 0 H VAL A 39 7.628 -35.191 -17.339 1.00 33.31 H new ATOM 0 HA VAL A 39 7.457 -32.335 -17.272 1.00 2.24 H new ATOM 0 HB VAL A 39 7.045 -34.357 -15.033 1.00 54.22 H new ATOM 0 HG11 VAL A 39 5.574 -32.627 -14.085 1.00 13.53 H new ATOM 0 HG12 VAL A 39 7.247 -32.048 -14.260 1.00 13.53 H new ATOM 0 HG13 VAL A 39 6.003 -31.535 -15.423 1.00 13.53 H new ATOM 0 HG21 VAL A 39 4.662 -34.303 -15.655 1.00 24.10 H new ATOM 0 HG22 VAL A 39 5.056 -33.280 -17.057 1.00 24.10 H new ATOM 0 HG23 VAL A 39 5.674 -34.946 -16.970 1.00 24.10 H new ATOM 629 N VAL A 40 9.854 -33.891 -15.652 1.00 15.51 N ATOM 630 CA VAL A 40 11.111 -33.704 -14.938 1.00 62.22 C ATOM 631 C VAL A 40 12.092 -32.876 -15.761 1.00 22.15 C ATOM 632 O VAL A 40 13.050 -32.316 -15.226 1.00 72.24 O ATOM 633 CB VAL A 40 11.764 -35.055 -14.589 1.00 14.14 C ATOM 634 CG1 VAL A 40 12.945 -34.851 -13.653 1.00 21.04 C ATOM 635 CG2 VAL A 40 10.740 -35.996 -13.972 1.00 24.52 C ATOM 0 H VAL A 40 9.650 -34.859 -15.900 1.00 15.51 H new ATOM 0 HA VAL A 40 10.876 -33.173 -14.016 1.00 62.22 H new ATOM 0 HB VAL A 40 12.134 -35.509 -15.508 1.00 14.14 H new ATOM 0 HG11 VAL A 40 13.394 -35.816 -13.418 1.00 21.04 H new ATOM 0 HG12 VAL A 40 13.686 -34.214 -14.136 1.00 21.04 H new ATOM 0 HG13 VAL A 40 12.603 -34.376 -12.734 1.00 21.04 H new ATOM 0 HG21 VAL A 40 11.217 -36.946 -13.731 1.00 24.52 H new ATOM 0 HG22 VAL A 40 10.339 -35.551 -13.062 1.00 24.52 H new ATOM 0 HG23 VAL A 40 9.929 -36.167 -14.680 1.00 24.52 H new ATOM 645 N LYS A 41 11.847 -32.802 -17.064 1.00 43.33 N ATOM 646 CA LYS A 41 12.707 -32.040 -17.963 1.00 23.44 C ATOM 647 C LYS A 41 12.520 -30.541 -17.754 1.00 62.02 C ATOM 648 O LYS A 41 13.490 -29.802 -17.591 1.00 20.03 O ATOM 649 CB LYS A 41 12.408 -32.405 -19.419 1.00 5.24 C ATOM 650 CG LYS A 41 13.605 -32.973 -20.161 1.00 44.35 C ATOM 651 CD LYS A 41 13.548 -34.489 -20.235 1.00 20.32 C ATOM 652 CE LYS A 41 13.964 -35.127 -18.918 1.00 35.10 C ATOM 653 NZ LYS A 41 14.785 -36.351 -19.129 1.00 73.34 N ATOM 0 H LYS A 41 11.059 -33.261 -17.522 1.00 43.33 H new ATOM 0 HA LYS A 41 13.743 -32.294 -17.737 1.00 23.44 H new ATOM 0 HB2 LYS A 41 11.597 -33.133 -19.443 1.00 5.24 H new ATOM 0 HB3 LYS A 41 12.055 -31.517 -19.942 1.00 5.24 H new ATOM 0 HG2 LYS A 41 13.639 -32.560 -21.169 1.00 44.35 H new ATOM 0 HG3 LYS A 41 14.523 -32.667 -19.660 1.00 44.35 H new ATOM 0 HD2 LYS A 41 12.536 -34.804 -20.490 1.00 20.32 H new ATOM 0 HD3 LYS A 41 14.202 -34.840 -21.033 1.00 20.32 H new ATOM 0 HE2 LYS A 41 14.531 -34.406 -18.329 1.00 35.10 H new ATOM 0 HE3 LYS A 41 13.075 -35.381 -18.341 1.00 35.10 H new ATOM 0 HZ1 LYS A 41 15.048 -36.756 -18.208 1.00 73.34 H new ATOM 0 HZ2 LYS A 41 14.235 -37.049 -19.669 1.00 73.34 H new ATOM 0 HZ3 LYS A 41 15.646 -36.105 -19.657 1.00 73.34 H new ATOM 667 N ASN A 42 11.267 -30.099 -17.760 1.00 33.21 N ATOM 668 CA ASN A 42 10.953 -28.688 -17.570 1.00 50.43 C ATOM 669 C ASN A 42 11.206 -28.263 -16.127 1.00 64.00 C ATOM 670 O ASN A 42 11.201 -27.074 -15.808 1.00 52.01 O ATOM 671 CB ASN A 42 9.496 -28.413 -17.946 1.00 54.32 C ATOM 672 CG ASN A 42 8.519 -29.008 -16.950 1.00 64.11 C ATOM 673 OD1 ASN A 42 7.987 -30.098 -17.161 1.00 42.03 O ATOM 674 ND2 ASN A 42 8.280 -28.293 -15.857 1.00 74.01 N ATOM 0 H ASN A 42 10.452 -30.698 -17.894 1.00 33.21 H new ATOM 0 HA ASN A 42 11.606 -28.106 -18.221 1.00 50.43 H new ATOM 0 HB2 ASN A 42 9.337 -27.336 -18.008 1.00 54.32 H new ATOM 0 HB3 ASN A 42 9.296 -28.822 -18.936 1.00 54.32 H new ATOM 0 HD21 ASN A 42 7.633 -28.642 -15.150 1.00 74.01 H new ATOM 0 HD22 ASN A 42 8.744 -27.394 -15.724 1.00 74.01 H new ATOM 681 N VAL A 43 11.429 -29.244 -15.258 1.00 1.22 N ATOM 682 CA VAL A 43 11.687 -28.973 -13.849 1.00 15.44 C ATOM 683 C VAL A 43 13.183 -28.942 -13.559 1.00 60.41 C ATOM 684 O VAL A 43 13.628 -28.310 -12.602 1.00 63.23 O ATOM 685 CB VAL A 43 11.021 -30.026 -12.944 1.00 31.35 C ATOM 686 CG1 VAL A 43 11.355 -29.764 -11.483 1.00 51.50 C ATOM 687 CG2 VAL A 43 9.515 -30.040 -13.161 1.00 3.24 C ATOM 0 H VAL A 43 11.436 -30.234 -15.505 1.00 1.22 H new ATOM 0 HA VAL A 43 11.258 -27.995 -13.632 1.00 15.44 H new ATOM 0 HB VAL A 43 11.413 -31.008 -13.211 1.00 31.35 H new ATOM 0 HG11 VAL A 43 10.875 -30.518 -10.859 1.00 51.50 H new ATOM 0 HG12 VAL A 43 12.435 -29.810 -11.343 1.00 51.50 H new ATOM 0 HG13 VAL A 43 10.994 -28.775 -11.199 1.00 51.50 H new ATOM 0 HG21 VAL A 43 9.061 -30.790 -12.513 1.00 3.24 H new ATOM 0 HG22 VAL A 43 9.104 -29.059 -12.923 1.00 3.24 H new ATOM 0 HG23 VAL A 43 9.300 -30.281 -14.202 1.00 3.24 H new ATOM 697 N GLY A 44 13.956 -29.631 -14.394 1.00 11.30 N ATOM 698 CA GLY A 44 15.395 -29.670 -14.211 1.00 40.52 C ATOM 699 C GLY A 44 16.132 -28.825 -15.232 1.00 21.04 C ATOM 700 O GLY A 44 17.331 -28.577 -15.094 1.00 72.22 O ATOM 0 H GLY A 44 13.611 -30.162 -15.193 1.00 11.30 H new ATOM 0 HA2 GLY A 44 15.640 -29.319 -13.209 1.00 40.52 H new ATOM 0 HA3 GLY A 44 15.739 -30.702 -14.281 1.00 40.52 H new ATOM 704 N LEU A 45 15.416 -28.383 -16.259 1.00 52.23 N ATOM 705 CA LEU A 45 16.010 -27.562 -17.309 1.00 74.10 C ATOM 706 C LEU A 45 16.066 -26.097 -16.888 1.00 63.13 C ATOM 707 O LEU A 45 16.809 -25.302 -17.465 1.00 40.11 O ATOM 708 CB LEU A 45 15.211 -27.702 -18.606 1.00 54.50 C ATOM 709 CG LEU A 45 15.525 -28.931 -19.459 1.00 50.01 C ATOM 710 CD1 LEU A 45 14.375 -29.230 -20.409 1.00 3.13 C ATOM 711 CD2 LEU A 45 16.819 -28.726 -20.233 1.00 60.22 C ATOM 0 H LEU A 45 14.423 -28.579 -16.388 1.00 52.23 H new ATOM 0 HA LEU A 45 17.029 -27.912 -17.478 1.00 74.10 H new ATOM 0 HB2 LEU A 45 14.150 -27.720 -18.355 1.00 54.50 H new ATOM 0 HB3 LEU A 45 15.381 -26.812 -19.211 1.00 54.50 H new ATOM 0 HG LEU A 45 15.653 -29.787 -18.796 1.00 50.01 H new ATOM 0 HD11 LEU A 45 14.617 -30.108 -21.008 1.00 3.13 H new ATOM 0 HD12 LEU A 45 13.469 -29.421 -19.834 1.00 3.13 H new ATOM 0 HD13 LEU A 45 14.215 -28.375 -21.066 1.00 3.13 H new ATOM 0 HD21 LEU A 45 17.027 -29.611 -20.835 1.00 60.22 H new ATOM 0 HD22 LEU A 45 16.719 -27.859 -20.885 1.00 60.22 H new ATOM 0 HD23 LEU A 45 17.639 -28.562 -19.534 1.00 60.22 H new ATOM 723 N THR A 46 15.278 -25.746 -15.877 1.00 73.01 N ATOM 724 CA THR A 46 15.239 -24.377 -15.378 1.00 35.42 C ATOM 725 C THR A 46 16.474 -24.061 -14.542 1.00 73.42 C ATOM 726 O THR A 46 17.126 -23.036 -14.743 1.00 64.34 O ATOM 727 CB THR A 46 13.979 -24.125 -14.527 1.00 62.45 C ATOM 728 OG1 THR A 46 12.946 -25.046 -14.897 1.00 3.21 O ATOM 729 CG2 THR A 46 13.482 -22.699 -14.706 1.00 50.13 C ATOM 0 H THR A 46 14.658 -26.391 -15.387 1.00 73.01 H new ATOM 0 HA THR A 46 15.217 -23.723 -16.250 1.00 35.42 H new ATOM 0 HB THR A 46 14.239 -24.273 -13.479 1.00 62.45 H new ATOM 0 HG1 THR A 46 12.149 -24.881 -14.351 1.00 3.21 H new ATOM 0 HG21 THR A 46 12.592 -22.545 -14.096 1.00 50.13 H new ATOM 0 HG22 THR A 46 14.260 -22.001 -14.396 1.00 50.13 H new ATOM 0 HG23 THR A 46 13.237 -22.528 -15.754 1.00 50.13 H new ATOM 737 N LEU A 47 16.790 -24.948 -13.605 1.00 3.44 N ATOM 738 CA LEU A 47 17.949 -24.763 -12.738 1.00 23.41 C ATOM 739 C LEU A 47 19.238 -24.727 -13.553 1.00 23.24 C ATOM 740 O LEU A 47 20.079 -23.848 -13.364 1.00 53.55 O ATOM 741 CB LEU A 47 18.019 -25.886 -11.701 1.00 40.02 C ATOM 742 CG LEU A 47 17.894 -27.310 -12.244 1.00 43.13 C ATOM 743 CD1 LEU A 47 19.269 -27.930 -12.436 1.00 64.41 C ATOM 744 CD2 LEU A 47 17.047 -28.164 -11.312 1.00 41.14 C ATOM 0 H LEU A 47 16.261 -25.801 -13.426 1.00 3.44 H new ATOM 0 HA LEU A 47 17.839 -23.808 -12.224 1.00 23.41 H new ATOM 0 HB2 LEU A 47 18.967 -25.803 -11.169 1.00 40.02 H new ATOM 0 HB3 LEU A 47 17.227 -25.727 -10.969 1.00 40.02 H new ATOM 0 HG LEU A 47 17.399 -27.266 -13.214 1.00 43.13 H new ATOM 0 HD11 LEU A 47 19.160 -28.943 -12.823 1.00 64.41 H new ATOM 0 HD12 LEU A 47 19.843 -27.331 -13.143 1.00 64.41 H new ATOM 0 HD13 LEU A 47 19.791 -27.961 -11.480 1.00 64.41 H new ATOM 0 HD21 LEU A 47 16.969 -29.174 -11.714 1.00 41.14 H new ATOM 0 HD22 LEU A 47 17.514 -28.201 -10.328 1.00 41.14 H new ATOM 0 HD23 LEU A 47 16.051 -27.730 -11.225 1.00 41.14 H new ATOM 756 N ARG A 48 19.386 -25.687 -14.459 1.00 61.54 N ATOM 757 CA ARG A 48 20.572 -25.765 -15.304 1.00 1.12 C ATOM 758 C ARG A 48 20.610 -24.606 -16.295 1.00 41.44 C ATOM 759 O ARG A 48 21.627 -24.364 -16.947 1.00 34.42 O ATOM 760 CB ARG A 48 20.602 -27.096 -16.057 1.00 53.25 C ATOM 761 CG ARG A 48 19.604 -27.170 -17.201 1.00 75.33 C ATOM 762 CD ARG A 48 19.555 -28.564 -17.808 1.00 53.21 C ATOM 763 NE ARG A 48 20.700 -28.823 -18.677 1.00 31.14 N ATOM 764 CZ ARG A 48 20.877 -28.234 -19.854 1.00 25.11 C ATOM 765 NH1 ARG A 48 19.990 -27.357 -20.301 1.00 14.33 N ATOM 766 NH2 ARG A 48 21.945 -28.522 -20.587 1.00 24.21 N ATOM 0 H ARG A 48 18.699 -26.422 -14.627 1.00 61.54 H new ATOM 0 HA ARG A 48 21.450 -25.700 -14.661 1.00 1.12 H new ATOM 0 HB2 ARG A 48 21.605 -27.259 -16.450 1.00 53.25 H new ATOM 0 HB3 ARG A 48 20.399 -27.905 -15.356 1.00 53.25 H new ATOM 0 HG2 ARG A 48 18.613 -26.894 -16.840 1.00 75.33 H new ATOM 0 HG3 ARG A 48 19.876 -26.447 -17.970 1.00 75.33 H new ATOM 0 HD2 ARG A 48 19.530 -29.306 -17.010 1.00 53.21 H new ATOM 0 HD3 ARG A 48 18.633 -28.679 -18.379 1.00 53.21 H new ATOM 0 HE ARG A 48 21.402 -29.493 -18.363 1.00 31.14 H new ATOM 0 HH11 ARG A 48 19.168 -27.132 -19.741 1.00 14.33 H new ATOM 0 HH12 ARG A 48 20.129 -26.907 -21.206 1.00 14.33 H new ATOM 0 HH21 ARG A 48 22.631 -29.196 -20.247 1.00 24.21 H new ATOM 0 HH22 ARG A 48 22.080 -28.069 -21.491 1.00 24.21 H new ATOM 780 N LYS A 49 19.495 -23.891 -16.405 1.00 64.01 N ATOM 781 CA LYS A 49 19.400 -22.756 -17.316 1.00 32.51 C ATOM 782 C LYS A 49 19.660 -21.445 -16.581 1.00 75.30 C ATOM 783 O LYS A 49 20.017 -20.439 -17.194 1.00 4.40 O ATOM 784 CB LYS A 49 18.019 -22.720 -17.974 1.00 53.52 C ATOM 785 CG LYS A 49 17.768 -21.465 -18.793 1.00 5.23 C ATOM 786 CD LYS A 49 16.465 -21.555 -19.568 1.00 35.34 C ATOM 787 CE LYS A 49 15.286 -21.079 -18.733 1.00 12.52 C ATOM 788 NZ LYS A 49 14.185 -20.543 -19.582 1.00 25.45 N ATOM 0 H LYS A 49 18.644 -24.078 -15.874 1.00 64.01 H new ATOM 0 HA LYS A 49 20.161 -22.876 -18.088 1.00 32.51 H new ATOM 0 HB2 LYS A 49 17.910 -23.592 -18.619 1.00 53.52 H new ATOM 0 HB3 LYS A 49 17.255 -22.798 -17.200 1.00 53.52 H new ATOM 0 HG2 LYS A 49 17.740 -20.598 -18.133 1.00 5.23 H new ATOM 0 HG3 LYS A 49 18.595 -21.311 -19.486 1.00 5.23 H new ATOM 0 HD2 LYS A 49 16.537 -20.953 -20.474 1.00 35.34 H new ATOM 0 HD3 LYS A 49 16.298 -22.585 -19.882 1.00 35.34 H new ATOM 0 HE2 LYS A 49 14.910 -21.906 -18.131 1.00 12.52 H new ATOM 0 HE3 LYS A 49 15.620 -20.306 -18.041 1.00 12.52 H new ATOM 0 HZ1 LYS A 49 13.400 -20.229 -18.976 1.00 25.45 H new ATOM 0 HZ2 LYS A 49 14.536 -19.738 -20.138 1.00 25.45 H new ATOM 0 HZ3 LYS A 49 13.849 -21.288 -20.225 1.00 25.45 H new ATOM 802 N LEU A 50 19.479 -21.464 -15.265 1.00 73.21 N ATOM 803 CA LEU A 50 19.695 -20.277 -14.446 1.00 2.30 C ATOM 804 C LEU A 50 21.054 -20.332 -13.755 1.00 41.14 C ATOM 805 O LEU A 50 21.633 -19.298 -13.421 1.00 25.24 O ATOM 806 CB LEU A 50 18.585 -20.144 -13.402 1.00 50.32 C ATOM 807 CG LEU A 50 18.789 -20.922 -12.102 1.00 4.11 C ATOM 808 CD1 LEU A 50 19.557 -20.082 -11.092 1.00 70.45 C ATOM 809 CD2 LEU A 50 17.451 -21.360 -11.526 1.00 55.41 C ATOM 0 H LEU A 50 19.183 -22.289 -14.743 1.00 73.21 H new ATOM 0 HA LEU A 50 19.676 -19.406 -15.101 1.00 2.30 H new ATOM 0 HB2 LEU A 50 18.470 -19.088 -13.156 1.00 50.32 H new ATOM 0 HB3 LEU A 50 17.648 -20.470 -13.854 1.00 50.32 H new ATOM 0 HG LEU A 50 19.375 -21.814 -12.323 1.00 4.11 H new ATOM 0 HD11 LEU A 50 19.693 -20.652 -10.173 1.00 70.45 H new ATOM 0 HD12 LEU A 50 20.532 -19.819 -11.503 1.00 70.45 H new ATOM 0 HD13 LEU A 50 18.998 -19.172 -10.875 1.00 70.45 H new ATOM 0 HD21 LEU A 50 17.616 -21.912 -10.601 1.00 55.41 H new ATOM 0 HD22 LEU A 50 16.839 -20.482 -11.320 1.00 55.41 H new ATOM 0 HD23 LEU A 50 16.938 -22.000 -12.244 1.00 55.41 H new ATOM 821 N ILE A 51 21.558 -21.544 -13.547 1.00 55.24 N ATOM 822 CA ILE A 51 22.850 -21.733 -12.900 1.00 73.01 C ATOM 823 C ILE A 51 23.948 -20.970 -13.632 1.00 43.12 C ATOM 824 O ILE A 51 24.915 -20.515 -13.022 1.00 60.03 O ATOM 825 CB ILE A 51 23.233 -23.223 -12.833 1.00 33.24 C ATOM 826 CG1 ILE A 51 22.446 -23.925 -11.724 1.00 12.23 C ATOM 827 CG2 ILE A 51 24.729 -23.376 -12.605 1.00 43.43 C ATOM 828 CD1 ILE A 51 22.164 -25.383 -12.012 1.00 41.33 C ATOM 0 H ILE A 51 21.091 -22.410 -13.817 1.00 55.24 H new ATOM 0 HA ILE A 51 22.755 -21.345 -11.886 1.00 73.01 H new ATOM 0 HB ILE A 51 22.980 -23.691 -13.785 1.00 33.24 H new ATOM 0 HG12 ILE A 51 23.003 -23.849 -10.790 1.00 12.23 H new ATOM 0 HG13 ILE A 51 21.501 -23.403 -11.575 1.00 12.23 H new ATOM 0 HG21 ILE A 51 24.984 -24.435 -12.560 1.00 43.43 H new ATOM 0 HG22 ILE A 51 25.272 -22.907 -13.425 1.00 43.43 H new ATOM 0 HG23 ILE A 51 25.005 -22.896 -11.666 1.00 43.43 H new ATOM 0 HD11 ILE A 51 21.603 -25.816 -11.183 1.00 41.33 H new ATOM 0 HD12 ILE A 51 21.580 -25.466 -12.928 1.00 41.33 H new ATOM 0 HD13 ILE A 51 23.106 -25.919 -12.132 1.00 41.33 H new ATOM 840 N GLY A 52 23.791 -20.832 -14.945 1.00 45.04 N ATOM 841 CA GLY A 52 24.777 -20.122 -15.740 1.00 13.44 C ATOM 842 C GLY A 52 24.741 -18.625 -15.504 1.00 40.43 C ATOM 843 O GLY A 52 25.629 -17.898 -15.950 1.00 23.14 O ATOM 0 H GLY A 52 22.999 -21.199 -15.473 1.00 45.04 H new ATOM 0 HA2 GLY A 52 25.771 -20.500 -15.503 1.00 13.44 H new ATOM 0 HA3 GLY A 52 24.602 -20.325 -16.797 1.00 13.44 H new ATOM 847 N SER A 53 23.711 -18.162 -14.804 1.00 14.42 N ATOM 848 CA SER A 53 23.560 -16.740 -14.515 1.00 34.30 C ATOM 849 C SER A 53 24.309 -16.362 -13.241 1.00 62.21 C ATOM 850 O SER A 53 24.777 -15.233 -13.094 1.00 50.01 O ATOM 851 CB SER A 53 22.079 -16.381 -14.375 1.00 20.34 C ATOM 852 OG SER A 53 21.269 -17.248 -15.150 1.00 15.43 O ATOM 0 H SER A 53 22.968 -18.750 -14.426 1.00 14.42 H new ATOM 0 HA SER A 53 23.986 -16.178 -15.346 1.00 34.30 H new ATOM 0 HB2 SER A 53 21.784 -16.442 -13.327 1.00 20.34 H new ATOM 0 HB3 SER A 53 21.920 -15.350 -14.691 1.00 20.34 H new ATOM 0 HG SER A 53 21.214 -18.123 -14.712 1.00 15.43 H new ATOM 858 N VAL A 54 24.419 -17.316 -12.322 1.00 3.24 N ATOM 859 CA VAL A 54 25.113 -17.085 -11.060 1.00 14.11 C ATOM 860 C VAL A 54 26.608 -17.350 -11.198 1.00 14.02 C ATOM 861 O VAL A 54 27.414 -16.833 -10.425 1.00 1.24 O ATOM 862 CB VAL A 54 24.546 -17.974 -9.937 1.00 61.32 C ATOM 863 CG1 VAL A 54 24.897 -17.401 -8.573 1.00 10.41 C ATOM 864 CG2 VAL A 54 23.040 -18.128 -10.089 1.00 23.32 C ATOM 0 H VAL A 54 24.037 -18.256 -12.427 1.00 3.24 H new ATOM 0 HA VAL A 54 24.956 -16.038 -10.799 1.00 14.11 H new ATOM 0 HB VAL A 54 24.999 -18.962 -10.016 1.00 61.32 H new ATOM 0 HG11 VAL A 54 24.488 -18.043 -7.793 1.00 10.41 H new ATOM 0 HG12 VAL A 54 25.981 -17.348 -8.468 1.00 10.41 H new ATOM 0 HG13 VAL A 54 24.474 -16.401 -8.479 1.00 10.41 H new ATOM 0 HG21 VAL A 54 22.656 -18.759 -9.287 1.00 23.32 H new ATOM 0 HG22 VAL A 54 22.567 -17.147 -10.037 1.00 23.32 H new ATOM 0 HG23 VAL A 54 22.817 -18.588 -11.052 1.00 23.32 H new ATOM 874 N ASP A 55 26.971 -18.158 -12.187 1.00 75.44 N ATOM 875 CA ASP A 55 28.370 -18.492 -12.428 1.00 54.45 C ATOM 876 C ASP A 55 29.115 -17.304 -13.030 1.00 21.30 C ATOM 877 O ASP A 55 30.346 -17.271 -13.038 1.00 12.20 O ATOM 878 CB ASP A 55 28.475 -19.701 -13.359 1.00 41.43 C ATOM 879 CG ASP A 55 29.837 -20.364 -13.294 1.00 75.41 C ATOM 880 OD1 ASP A 55 30.492 -20.272 -12.235 1.00 31.32 O ATOM 881 OD2 ASP A 55 30.246 -20.977 -14.302 1.00 44.32 O ATOM 0 H ASP A 55 26.316 -18.594 -12.836 1.00 75.44 H new ATOM 0 HA ASP A 55 28.830 -18.740 -11.471 1.00 54.45 H new ATOM 0 HB2 ASP A 55 27.707 -20.428 -13.094 1.00 41.43 H new ATOM 0 HB3 ASP A 55 28.276 -19.386 -14.383 1.00 41.43 H new ATOM 886 N ASP A 56 28.362 -16.333 -13.533 1.00 53.14 N ATOM 887 CA ASP A 56 28.951 -15.143 -14.137 1.00 72.44 C ATOM 888 C ASP A 56 29.582 -14.250 -13.074 1.00 65.22 C ATOM 889 O ASP A 56 30.375 -13.361 -13.386 1.00 43.34 O ATOM 890 CB ASP A 56 27.890 -14.361 -14.914 1.00 65.30 C ATOM 891 CG ASP A 56 28.464 -13.659 -16.129 1.00 54.21 C ATOM 892 OD1 ASP A 56 29.159 -14.323 -16.926 1.00 24.12 O ATOM 893 OD2 ASP A 56 28.216 -12.445 -16.284 1.00 15.10 O ATOM 0 H ASP A 56 27.342 -16.346 -13.535 1.00 53.14 H new ATOM 0 HA ASP A 56 29.732 -15.464 -14.826 1.00 72.44 H new ATOM 0 HB2 ASP A 56 27.100 -15.042 -15.231 1.00 65.30 H new ATOM 0 HB3 ASP A 56 27.431 -13.624 -14.255 1.00 65.30 H new ATOM 898 N LEU A 57 29.226 -14.492 -11.818 1.00 15.13 N ATOM 899 CA LEU A 57 29.756 -13.709 -10.707 1.00 45.23 C ATOM 900 C LEU A 57 30.674 -14.557 -9.832 1.00 72.03 C ATOM 901 O LEU A 57 31.293 -14.054 -8.894 1.00 25.52 O ATOM 902 CB LEU A 57 28.613 -13.140 -9.866 1.00 12.12 C ATOM 903 CG LEU A 57 28.006 -11.826 -10.359 1.00 74.10 C ATOM 904 CD1 LEU A 57 29.058 -10.728 -10.384 1.00 74.24 C ATOM 905 CD2 LEU A 57 27.389 -12.008 -11.738 1.00 73.32 C ATOM 0 H LEU A 57 28.572 -15.225 -11.543 1.00 15.13 H new ATOM 0 HA LEU A 57 30.338 -12.886 -11.121 1.00 45.23 H new ATOM 0 HB2 LEU A 57 27.820 -13.886 -9.814 1.00 12.12 H new ATOM 0 HB3 LEU A 57 28.976 -12.990 -8.849 1.00 12.12 H new ATOM 0 HG LEU A 57 27.218 -11.530 -9.667 1.00 74.10 H new ATOM 0 HD11 LEU A 57 28.608 -9.801 -10.737 1.00 74.24 H new ATOM 0 HD12 LEU A 57 29.453 -10.580 -9.379 1.00 74.24 H new ATOM 0 HD13 LEU A 57 29.869 -11.016 -11.054 1.00 74.24 H new ATOM 0 HD21 LEU A 57 26.962 -11.063 -12.073 1.00 73.32 H new ATOM 0 HD22 LEU A 57 28.158 -12.328 -12.441 1.00 73.32 H new ATOM 0 HD23 LEU A 57 26.605 -12.763 -11.689 1.00 73.32 H new ATOM 917 N LEU A 58 30.758 -15.845 -10.147 1.00 14.04 N ATOM 918 CA LEU A 58 31.602 -16.764 -9.390 1.00 54.35 C ATOM 919 C LEU A 58 32.992 -16.175 -9.177 1.00 65.12 C ATOM 920 O LEU A 58 33.449 -15.992 -8.049 1.00 5.32 O ATOM 921 CB LEU A 58 31.709 -18.105 -10.118 1.00 51.12 C ATOM 922 CG LEU A 58 31.218 -19.329 -9.345 1.00 30.31 C ATOM 923 CD1 LEU A 58 32.168 -19.656 -8.203 1.00 13.51 C ATOM 924 CD2 LEU A 58 29.809 -19.098 -8.820 1.00 34.45 C ATOM 0 H LEU A 58 30.253 -16.277 -10.921 1.00 14.04 H new ATOM 0 HA LEU A 58 31.142 -16.923 -8.415 1.00 54.35 H new ATOM 0 HB2 LEU A 58 31.144 -18.037 -11.048 1.00 51.12 H new ATOM 0 HB3 LEU A 58 32.752 -18.266 -10.390 1.00 51.12 H new ATOM 0 HG LEU A 58 31.195 -20.180 -10.026 1.00 30.31 H new ATOM 0 HD11 LEU A 58 31.802 -20.530 -7.664 1.00 13.51 H new ATOM 0 HD12 LEU A 58 33.160 -19.866 -8.604 1.00 13.51 H new ATOM 0 HD13 LEU A 58 32.224 -18.807 -7.522 1.00 13.51 H new ATOM 0 HD21 LEU A 58 29.476 -19.980 -8.272 1.00 34.45 H new ATOM 0 HD22 LEU A 58 29.806 -18.235 -8.155 1.00 34.45 H new ATOM 0 HD23 LEU A 58 29.135 -18.914 -9.656 1.00 34.45 H new ATOM 936 N PRO A 59 33.682 -15.869 -10.286 1.00 63.42 N ATOM 937 CA PRO A 59 35.030 -15.294 -10.247 1.00 21.23 C ATOM 938 C PRO A 59 35.033 -13.859 -9.731 1.00 71.12 C ATOM 939 O PRO A 59 36.091 -13.276 -9.496 1.00 22.23 O ATOM 940 CB PRO A 59 35.477 -15.338 -11.710 1.00 4.31 C ATOM 941 CG PRO A 59 34.211 -15.320 -12.494 1.00 13.31 C ATOM 942 CD PRO A 59 33.200 -16.061 -11.664 1.00 75.30 C ATOM 0 HA PRO A 59 35.687 -15.840 -9.570 1.00 21.23 H new ATOM 0 HB2 PRO A 59 36.108 -14.484 -11.957 1.00 4.31 H new ATOM 0 HB3 PRO A 59 36.059 -16.235 -11.919 1.00 4.31 H new ATOM 0 HG2 PRO A 59 33.885 -14.298 -12.685 1.00 13.31 H new ATOM 0 HG3 PRO A 59 34.346 -15.798 -13.464 1.00 13.31 H new ATOM 0 HD2 PRO A 59 32.196 -15.657 -11.798 1.00 75.30 H new ATOM 0 HD3 PRO A 59 33.157 -17.117 -11.931 1.00 75.30 H new ATOM 950 N SER A 60 33.842 -13.295 -9.558 1.00 31.13 N ATOM 951 CA SER A 60 33.708 -11.926 -9.073 1.00 34.40 C ATOM 952 C SER A 60 32.982 -11.894 -7.731 1.00 43.12 C ATOM 953 O SER A 60 32.404 -10.876 -7.349 1.00 50.31 O ATOM 954 CB SER A 60 32.953 -11.073 -10.094 1.00 40.02 C ATOM 955 OG SER A 60 33.662 -10.997 -11.319 1.00 5.54 O ATOM 0 H SER A 60 32.956 -13.764 -9.746 1.00 31.13 H new ATOM 0 HA SER A 60 34.708 -11.516 -8.935 1.00 34.40 H new ATOM 0 HB2 SER A 60 31.965 -11.498 -10.268 1.00 40.02 H new ATOM 0 HB3 SER A 60 32.803 -10.070 -9.694 1.00 40.02 H new ATOM 0 HG SER A 60 33.158 -10.448 -11.955 1.00 5.54 H new ATOM 961 N LEU A 61 33.017 -13.015 -7.020 1.00 22.41 N ATOM 962 CA LEU A 61 32.364 -13.117 -5.720 1.00 35.43 C ATOM 963 C LEU A 61 33.387 -13.344 -4.612 1.00 22.40 C ATOM 964 O LEU A 61 34.510 -13.790 -4.852 1.00 14.00 O ATOM 965 CB LEU A 61 31.343 -14.257 -5.728 1.00 11.30 C ATOM 966 CG LEU A 61 29.973 -13.926 -6.321 1.00 33.22 C ATOM 967 CD1 LEU A 61 29.308 -15.182 -6.862 1.00 62.41 C ATOM 968 CD2 LEU A 61 29.087 -13.259 -5.278 1.00 64.22 C ATOM 0 H LEU A 61 33.491 -13.866 -7.322 1.00 22.41 H new ATOM 0 HA LEU A 61 31.849 -12.176 -5.526 1.00 35.43 H new ATOM 0 HB2 LEU A 61 31.766 -15.093 -6.285 1.00 11.30 H new ATOM 0 HB3 LEU A 61 31.200 -14.598 -4.702 1.00 11.30 H new ATOM 0 HG LEU A 61 30.115 -13.230 -7.147 1.00 33.22 H new ATOM 0 HD11 LEU A 61 28.334 -14.927 -7.280 1.00 62.41 H new ATOM 0 HD12 LEU A 61 29.934 -15.619 -7.640 1.00 62.41 H new ATOM 0 HD13 LEU A 61 29.179 -15.902 -6.054 1.00 62.41 H new ATOM 0 HD21 LEU A 61 28.116 -13.031 -5.718 1.00 64.22 H new ATOM 0 HD22 LEU A 61 28.953 -13.932 -4.431 1.00 64.22 H new ATOM 0 HD23 LEU A 61 29.557 -12.336 -4.938 1.00 64.22 H new ATOM 980 N PRO A 62 32.993 -13.033 -3.368 1.00 75.43 N ATOM 981 CA PRO A 62 33.860 -13.198 -2.198 1.00 40.11 C ATOM 982 C PRO A 62 34.104 -14.664 -1.859 1.00 63.41 C ATOM 983 O PRO A 62 33.544 -15.559 -2.492 1.00 61.21 O ATOM 984 CB PRO A 62 33.076 -12.513 -1.076 1.00 74.11 C ATOM 985 CG PRO A 62 31.652 -12.590 -1.508 1.00 11.41 C ATOM 986 CD PRO A 62 31.669 -12.498 -3.009 1.00 11.23 C ATOM 0 HA PRO A 62 34.851 -12.776 -2.363 1.00 40.11 H new ATOM 0 HB2 PRO A 62 33.228 -13.017 -0.122 1.00 74.11 H new ATOM 0 HB3 PRO A 62 33.395 -11.479 -0.944 1.00 74.11 H new ATOM 0 HG2 PRO A 62 31.194 -13.523 -1.179 1.00 11.41 H new ATOM 0 HG3 PRO A 62 31.068 -11.778 -1.074 1.00 11.41 H new ATOM 0 HD2 PRO A 62 30.865 -13.082 -3.457 1.00 11.23 H new ATOM 0 HD3 PRO A 62 31.545 -11.470 -3.350 1.00 11.23 H new ATOM 994 N SER A 63 34.944 -14.903 -0.856 1.00 75.45 N ATOM 995 CA SER A 63 35.264 -16.262 -0.436 1.00 23.24 C ATOM 996 C SER A 63 34.122 -16.863 0.378 1.00 1.33 C ATOM 997 O SER A 63 34.159 -18.036 0.748 1.00 32.30 O ATOM 998 CB SER A 63 36.553 -16.273 0.389 1.00 43.55 C ATOM 999 OG SER A 63 37.676 -15.960 -0.417 1.00 42.23 O ATOM 0 H SER A 63 35.414 -14.174 -0.320 1.00 75.45 H new ATOM 0 HA SER A 63 35.407 -16.868 -1.331 1.00 23.24 H new ATOM 0 HB2 SER A 63 36.474 -15.553 1.203 1.00 43.55 H new ATOM 0 HB3 SER A 63 36.690 -17.254 0.843 1.00 43.55 H new ATOM 0 HG SER A 63 38.487 -15.972 0.133 1.00 42.23 H new ATOM 1005 N SER A 64 33.108 -16.049 0.654 1.00 43.52 N ATOM 1006 CA SER A 64 31.956 -16.497 1.427 1.00 2.21 C ATOM 1007 C SER A 64 30.802 -16.884 0.508 1.00 52.54 C ATOM 1008 O SER A 64 29.886 -17.600 0.911 1.00 55.21 O ATOM 1009 CB SER A 64 31.507 -15.400 2.395 1.00 70.41 C ATOM 1010 OG SER A 64 31.855 -15.725 3.730 1.00 52.42 O ATOM 0 H SER A 64 33.061 -15.075 0.354 1.00 43.52 H new ATOM 0 HA SER A 64 32.253 -17.377 1.998 1.00 2.21 H new ATOM 0 HB2 SER A 64 31.968 -14.453 2.116 1.00 70.41 H new ATOM 0 HB3 SER A 64 30.428 -15.263 2.320 1.00 70.41 H new ATOM 0 HG SER A 64 31.559 -15.008 4.329 1.00 52.42 H new ATOM 1016 N SER A 65 30.854 -16.404 -0.731 1.00 12.41 N ATOM 1017 CA SER A 65 29.811 -16.695 -1.708 1.00 3.00 C ATOM 1018 C SER A 65 30.348 -17.584 -2.826 1.00 52.41 C ATOM 1019 O SER A 65 29.647 -18.465 -3.324 1.00 53.52 O ATOM 1020 CB SER A 65 29.256 -15.396 -2.295 1.00 70.13 C ATOM 1021 OG SER A 65 28.870 -14.497 -1.270 1.00 45.33 O ATOM 0 H SER A 65 31.607 -15.812 -1.082 1.00 12.41 H new ATOM 0 HA SER A 65 29.007 -17.227 -1.199 1.00 3.00 H new ATOM 0 HB2 SER A 65 30.010 -14.928 -2.928 1.00 70.13 H new ATOM 0 HB3 SER A 65 28.399 -15.618 -2.931 1.00 70.13 H new ATOM 0 HG SER A 65 28.672 -13.621 -1.661 1.00 45.33 H new ATOM 1027 N ARG A 66 31.596 -17.345 -3.215 1.00 71.25 N ATOM 1028 CA ARG A 66 32.227 -18.122 -4.275 1.00 62.14 C ATOM 1029 C ARG A 66 32.108 -19.618 -3.998 1.00 2.23 C ATOM 1030 O ARG A 66 31.751 -20.398 -4.881 1.00 31.32 O ATOM 1031 CB ARG A 66 33.700 -17.734 -4.413 1.00 44.33 C ATOM 1032 CG ARG A 66 34.382 -18.349 -5.625 1.00 33.24 C ATOM 1033 CD ARG A 66 35.861 -18.591 -5.369 1.00 1.41 C ATOM 1034 NE ARG A 66 36.081 -19.565 -4.303 1.00 54.22 N ATOM 1035 CZ ARG A 66 37.269 -19.806 -3.761 1.00 10.52 C ATOM 1036 NH1 ARG A 66 38.339 -19.146 -4.182 1.00 3.14 N ATOM 1037 NH2 ARG A 66 37.388 -20.707 -2.795 1.00 24.42 N ATOM 0 H ARG A 66 32.190 -16.620 -2.812 1.00 71.25 H new ATOM 0 HA ARG A 66 31.711 -17.901 -5.209 1.00 62.14 H new ATOM 0 HB2 ARG A 66 33.777 -16.648 -4.476 1.00 44.33 H new ATOM 0 HB3 ARG A 66 34.233 -18.040 -3.513 1.00 44.33 H new ATOM 0 HG2 ARG A 66 33.896 -19.292 -5.878 1.00 33.24 H new ATOM 0 HG3 ARG A 66 34.264 -17.689 -6.484 1.00 33.24 H new ATOM 0 HD2 ARG A 66 36.334 -18.944 -6.285 1.00 1.41 H new ATOM 0 HD3 ARG A 66 36.342 -17.649 -5.104 1.00 1.41 H new ATOM 0 HE ARG A 66 35.278 -20.089 -3.956 1.00 54.22 H new ATOM 0 HH11 ARG A 66 38.251 -18.451 -4.924 1.00 3.14 H new ATOM 0 HH12 ARG A 66 39.251 -19.333 -3.764 1.00 3.14 H new ATOM 0 HH21 ARG A 66 36.567 -21.215 -2.468 1.00 24.42 H new ATOM 0 HH22 ARG A 66 38.301 -20.891 -2.379 1.00 24.42 H new ATOM 1051 N THR A 67 32.411 -20.012 -2.764 1.00 54.54 N ATOM 1052 CA THR A 67 32.339 -21.413 -2.370 1.00 45.24 C ATOM 1053 C THR A 67 30.901 -21.834 -2.093 1.00 11.41 C ATOM 1054 O THR A 67 30.604 -23.022 -1.979 1.00 32.23 O ATOM 1055 CB THR A 67 33.194 -21.688 -1.119 1.00 34.55 C ATOM 1056 OG1 THR A 67 34.285 -20.763 -1.056 1.00 72.45 O ATOM 1057 CG2 THR A 67 33.729 -23.112 -1.132 1.00 22.24 C ATOM 0 H THR A 67 32.709 -19.380 -2.021 1.00 54.54 H new ATOM 0 HA THR A 67 32.730 -21.997 -3.204 1.00 45.24 H new ATOM 0 HB THR A 67 32.562 -21.562 -0.240 1.00 34.55 H new ATOM 0 HG1 THR A 67 34.042 -20.009 -0.479 1.00 72.45 H new ATOM 0 HG21 THR A 67 34.330 -23.283 -0.239 1.00 22.24 H new ATOM 0 HG22 THR A 67 32.895 -23.814 -1.148 1.00 22.24 H new ATOM 0 HG23 THR A 67 34.346 -23.261 -2.018 1.00 22.24 H new ATOM 1065 N GLU A 68 30.012 -20.851 -1.986 1.00 72.03 N ATOM 1066 CA GLU A 68 28.603 -21.121 -1.722 1.00 25.41 C ATOM 1067 C GLU A 68 27.871 -21.495 -3.007 1.00 55.22 C ATOM 1068 O GLU A 68 27.260 -22.560 -3.099 1.00 23.51 O ATOM 1069 CB GLU A 68 27.939 -19.902 -1.079 1.00 21.32 C ATOM 1070 CG GLU A 68 26.433 -20.039 -0.927 1.00 5.10 C ATOM 1071 CD GLU A 68 25.958 -19.726 0.479 1.00 61.44 C ATOM 1072 OE1 GLU A 68 25.816 -18.530 0.805 1.00 14.30 O ATOM 1073 OE2 GLU A 68 25.728 -20.680 1.252 1.00 3.31 O ATOM 0 H GLU A 68 30.242 -19.862 -2.078 1.00 72.03 H new ATOM 0 HA GLU A 68 28.544 -21.963 -1.033 1.00 25.41 H new ATOM 0 HB2 GLU A 68 28.381 -19.734 -0.097 1.00 21.32 H new ATOM 0 HB3 GLU A 68 28.156 -19.020 -1.682 1.00 21.32 H new ATOM 0 HG2 GLU A 68 25.938 -19.370 -1.631 1.00 5.10 H new ATOM 0 HG3 GLU A 68 26.136 -21.054 -1.189 1.00 5.10 H new ATOM 1080 N ILE A 69 27.935 -20.610 -3.996 1.00 62.14 N ATOM 1081 CA ILE A 69 27.279 -20.847 -5.276 1.00 54.51 C ATOM 1082 C ILE A 69 27.913 -22.023 -6.010 1.00 74.22 C ATOM 1083 O ILE A 69 27.218 -22.936 -6.456 1.00 50.31 O ATOM 1084 CB ILE A 69 27.339 -19.600 -6.179 1.00 22.13 C ATOM 1085 CG1 ILE A 69 26.542 -18.453 -5.555 1.00 52.22 C ATOM 1086 CG2 ILE A 69 26.811 -19.926 -7.568 1.00 1.22 C ATOM 1087 CD1 ILE A 69 26.922 -17.091 -6.092 1.00 40.33 C ATOM 0 H ILE A 69 28.434 -19.723 -3.936 1.00 62.14 H new ATOM 0 HA ILE A 69 26.236 -21.078 -5.058 1.00 54.51 H new ATOM 0 HB ILE A 69 28.379 -19.286 -6.272 1.00 22.13 H new ATOM 0 HG12 ILE A 69 25.480 -18.621 -5.732 1.00 52.22 H new ATOM 0 HG13 ILE A 69 26.691 -18.463 -4.475 1.00 52.22 H new ATOM 0 HG21 ILE A 69 26.860 -19.035 -8.194 1.00 1.22 H new ATOM 0 HG22 ILE A 69 27.418 -20.715 -8.012 1.00 1.22 H new ATOM 0 HG23 ILE A 69 25.777 -20.262 -7.495 1.00 1.22 H new ATOM 0 HD11 ILE A 69 26.317 -16.326 -5.605 1.00 40.33 H new ATOM 0 HD12 ILE A 69 27.977 -16.902 -5.891 1.00 40.33 H new ATOM 0 HD13 ILE A 69 26.747 -17.062 -7.167 1.00 40.33 H new ATOM 1099 N GLU A 70 29.236 -21.995 -6.130 1.00 23.32 N ATOM 1100 CA GLU A 70 29.964 -23.061 -6.809 1.00 51.00 C ATOM 1101 C GLU A 70 29.583 -24.426 -6.244 1.00 32.15 C ATOM 1102 O GLU A 70 29.622 -25.434 -6.947 1.00 74.51 O ATOM 1103 CB GLU A 70 31.473 -22.844 -6.675 1.00 73.41 C ATOM 1104 CG GLU A 70 32.285 -23.528 -7.762 1.00 55.15 C ATOM 1105 CD GLU A 70 33.493 -24.262 -7.214 1.00 40.41 C ATOM 1106 OE1 GLU A 70 34.181 -23.698 -6.338 1.00 3.33 O ATOM 1107 OE2 GLU A 70 33.751 -25.399 -7.661 1.00 53.30 O ATOM 0 H GLU A 70 29.826 -21.246 -5.766 1.00 23.32 H new ATOM 0 HA GLU A 70 29.693 -23.036 -7.864 1.00 51.00 H new ATOM 0 HB2 GLU A 70 31.681 -21.774 -6.697 1.00 73.41 H new ATOM 0 HB3 GLU A 70 31.800 -23.213 -5.703 1.00 73.41 H new ATOM 0 HG2 GLU A 70 31.648 -24.233 -8.297 1.00 55.15 H new ATOM 0 HG3 GLU A 70 32.615 -22.783 -8.487 1.00 55.15 H new ATOM 1114 N GLY A 71 29.215 -24.449 -4.966 1.00 33.30 N ATOM 1115 CA GLY A 71 28.833 -25.695 -4.327 1.00 14.24 C ATOM 1116 C GLY A 71 27.340 -25.950 -4.400 1.00 63.31 C ATOM 1117 O GLY A 71 26.903 -27.097 -4.500 1.00 34.12 O ATOM 0 H GLY A 71 29.175 -23.628 -4.363 1.00 33.30 H new ATOM 0 HA2 GLY A 71 29.363 -26.521 -4.802 1.00 14.24 H new ATOM 0 HA3 GLY A 71 29.144 -25.675 -3.283 1.00 14.24 H new ATOM 1121 N THR A 72 26.555 -24.879 -4.349 1.00 53.12 N ATOM 1122 CA THR A 72 25.103 -24.992 -4.408 1.00 31.33 C ATOM 1123 C THR A 72 24.640 -25.415 -5.797 1.00 50.43 C ATOM 1124 O THR A 72 23.905 -26.390 -5.946 1.00 31.30 O ATOM 1125 CB THR A 72 24.420 -23.663 -4.033 1.00 61.25 C ATOM 1126 OG1 THR A 72 24.798 -23.275 -2.708 1.00 15.21 O ATOM 1127 CG2 THR A 72 22.907 -23.790 -4.119 1.00 15.43 C ATOM 0 H THR A 72 26.900 -23.923 -4.267 1.00 53.12 H new ATOM 0 HA THR A 72 24.816 -25.756 -3.685 1.00 31.33 H new ATOM 0 HB THR A 72 24.745 -22.900 -4.740 1.00 61.25 H new ATOM 0 HG1 THR A 72 25.535 -22.631 -2.754 1.00 15.21 H new ATOM 0 HG21 THR A 72 22.446 -22.840 -3.850 1.00 15.43 H new ATOM 0 HG22 THR A 72 22.622 -24.056 -5.137 1.00 15.43 H new ATOM 0 HG23 THR A 72 22.567 -24.565 -3.432 1.00 15.43 H new ATOM 1135 N GLN A 73 25.075 -24.674 -6.812 1.00 24.24 N ATOM 1136 CA GLN A 73 24.705 -24.973 -8.190 1.00 34.34 C ATOM 1137 C GLN A 73 25.178 -26.367 -8.590 1.00 54.24 C ATOM 1138 O GLN A 73 24.603 -26.998 -9.478 1.00 30.04 O ATOM 1139 CB GLN A 73 25.296 -23.929 -9.138 1.00 4.25 C ATOM 1140 CG GLN A 73 24.986 -22.496 -8.735 1.00 31.35 C ATOM 1141 CD GLN A 73 23.566 -22.326 -8.232 1.00 30.24 C ATOM 1142 OE1 GLN A 73 23.271 -22.598 -7.068 1.00 34.45 O ATOM 1143 NE2 GLN A 73 22.677 -21.874 -9.108 1.00 43.34 N ATOM 0 H GLN A 73 25.684 -23.863 -6.705 1.00 24.24 H new ATOM 0 HA GLN A 73 23.618 -24.943 -8.262 1.00 34.34 H new ATOM 0 HB2 GLN A 73 26.377 -24.060 -9.181 1.00 4.25 H new ATOM 0 HB3 GLN A 73 24.914 -24.106 -10.143 1.00 4.25 H new ATOM 0 HG2 GLN A 73 25.683 -22.182 -7.958 1.00 31.35 H new ATOM 0 HG3 GLN A 73 25.146 -21.839 -9.590 1.00 31.35 H new ATOM 0 HE21 GLN A 73 22.965 -21.661 -10.063 1.00 43.34 H new ATOM 0 HE22 GLN A 73 21.706 -21.740 -8.826 1.00 43.34 H new ATOM 1152 N LYS A 74 26.229 -26.842 -7.931 1.00 51.31 N ATOM 1153 CA LYS A 74 26.780 -28.161 -8.217 1.00 32.00 C ATOM 1154 C LYS A 74 25.778 -29.257 -7.866 1.00 41.44 C ATOM 1155 O LYS A 74 25.553 -30.180 -8.650 1.00 12.10 O ATOM 1156 CB LYS A 74 28.079 -28.374 -7.436 1.00 73.13 C ATOM 1157 CG LYS A 74 28.503 -29.830 -7.346 1.00 54.25 C ATOM 1158 CD LYS A 74 27.989 -30.483 -6.074 1.00 42.31 C ATOM 1159 CE LYS A 74 29.117 -30.746 -5.088 1.00 63.14 C ATOM 1160 NZ LYS A 74 28.607 -31.253 -3.784 1.00 43.32 N ATOM 0 H LYS A 74 26.717 -26.332 -7.194 1.00 51.31 H new ATOM 0 HA LYS A 74 26.992 -28.215 -9.285 1.00 32.00 H new ATOM 0 HB2 LYS A 74 28.876 -27.801 -7.910 1.00 73.13 H new ATOM 0 HB3 LYS A 74 27.956 -27.977 -6.428 1.00 73.13 H new ATOM 0 HG2 LYS A 74 28.127 -30.374 -8.213 1.00 54.25 H new ATOM 0 HG3 LYS A 74 29.591 -29.896 -7.376 1.00 54.25 H new ATOM 0 HD2 LYS A 74 27.241 -29.840 -5.610 1.00 42.31 H new ATOM 0 HD3 LYS A 74 27.493 -31.422 -6.320 1.00 42.31 H new ATOM 0 HE2 LYS A 74 29.810 -31.472 -5.514 1.00 63.14 H new ATOM 0 HE3 LYS A 74 29.679 -29.826 -4.925 1.00 63.14 H new ATOM 0 HZ1 LYS A 74 29.406 -31.420 -3.140 1.00 43.32 H new ATOM 0 HZ2 LYS A 74 27.966 -30.550 -3.365 1.00 43.32 H new ATOM 0 HZ3 LYS A 74 28.092 -32.144 -3.935 1.00 43.32 H new ATOM 1174 N LEU A 75 25.179 -29.148 -6.686 1.00 15.20 N ATOM 1175 CA LEU A 75 24.199 -30.129 -6.232 1.00 52.12 C ATOM 1176 C LEU A 75 22.864 -29.935 -6.944 1.00 51.13 C ATOM 1177 O LEU A 75 22.009 -30.822 -6.937 1.00 3.12 O ATOM 1178 CB LEU A 75 24.003 -30.021 -4.719 1.00 0.11 C ATOM 1179 CG LEU A 75 22.993 -28.975 -4.246 1.00 3.33 C ATOM 1180 CD1 LEU A 75 21.630 -29.610 -4.025 1.00 74.50 C ATOM 1181 CD2 LEU A 75 23.482 -28.300 -2.972 1.00 53.01 C ATOM 0 H LEU A 75 25.354 -28.390 -6.026 1.00 15.20 H new ATOM 0 HA LEU A 75 24.578 -31.122 -6.473 1.00 52.12 H new ATOM 0 HB2 LEU A 75 23.690 -30.995 -4.343 1.00 0.11 H new ATOM 0 HB3 LEU A 75 24.968 -29.798 -4.263 1.00 0.11 H new ATOM 0 HG LEU A 75 22.895 -28.216 -5.022 1.00 3.33 H new ATOM 0 HD11 LEU A 75 20.925 -28.850 -3.689 1.00 74.50 H new ATOM 0 HD12 LEU A 75 21.276 -30.046 -4.959 1.00 74.50 H new ATOM 0 HD13 LEU A 75 21.711 -30.390 -3.268 1.00 74.50 H new ATOM 0 HD21 LEU A 75 22.751 -27.559 -2.649 1.00 53.01 H new ATOM 0 HD22 LEU A 75 23.609 -29.048 -2.190 1.00 53.01 H new ATOM 0 HD23 LEU A 75 24.436 -27.809 -3.163 1.00 53.01 H new ATOM 1193 N LEU A 76 22.692 -28.771 -7.561 1.00 11.35 N ATOM 1194 CA LEU A 76 21.461 -28.460 -8.280 1.00 65.52 C ATOM 1195 C LEU A 76 21.199 -29.486 -9.378 1.00 64.32 C ATOM 1196 O LEU A 76 20.051 -29.768 -9.717 1.00 52.50 O ATOM 1197 CB LEU A 76 21.541 -27.058 -8.885 1.00 42.14 C ATOM 1198 CG LEU A 76 20.397 -26.108 -8.530 1.00 41.43 C ATOM 1199 CD1 LEU A 76 20.250 -25.989 -7.021 1.00 62.52 C ATOM 1200 CD2 LEU A 76 20.627 -24.739 -9.154 1.00 43.14 C ATOM 0 H LEU A 76 23.389 -28.027 -7.578 1.00 11.35 H new ATOM 0 HA LEU A 76 20.635 -28.496 -7.570 1.00 65.52 H new ATOM 0 HB2 LEU A 76 22.478 -26.600 -8.568 1.00 42.14 H new ATOM 0 HB3 LEU A 76 21.584 -27.154 -9.970 1.00 42.14 H new ATOM 0 HG LEU A 76 19.472 -26.519 -8.934 1.00 41.43 H new ATOM 0 HD11 LEU A 76 19.431 -25.309 -6.788 1.00 62.52 H new ATOM 0 HD12 LEU A 76 20.038 -26.971 -6.598 1.00 62.52 H new ATOM 0 HD13 LEU A 76 21.176 -25.602 -6.595 1.00 62.52 H new ATOM 0 HD21 LEU A 76 19.803 -24.076 -8.891 1.00 43.14 H new ATOM 0 HD22 LEU A 76 21.562 -24.321 -8.781 1.00 43.14 H new ATOM 0 HD23 LEU A 76 20.681 -24.838 -10.238 1.00 43.14 H new ATOM 1212 N ASN A 77 22.273 -30.044 -9.929 1.00 2.52 N ATOM 1213 CA ASN A 77 22.159 -31.040 -10.988 1.00 22.04 C ATOM 1214 C ASN A 77 22.094 -32.448 -10.404 1.00 64.34 C ATOM 1215 O ASN A 77 22.082 -33.437 -11.139 1.00 10.44 O ATOM 1216 CB ASN A 77 23.343 -30.929 -11.951 1.00 12.33 C ATOM 1217 CG ASN A 77 23.040 -30.036 -13.138 1.00 53.24 C ATOM 1218 OD1 ASN A 77 22.606 -30.508 -14.190 1.00 4.14 O ATOM 1219 ND2 ASN A 77 23.267 -28.738 -12.976 1.00 2.43 N ATOM 0 H ASN A 77 23.232 -29.823 -9.659 1.00 2.52 H new ATOM 0 HA ASN A 77 21.236 -30.849 -11.535 1.00 22.04 H new ATOM 0 HB2 ASN A 77 24.208 -30.537 -11.416 1.00 12.33 H new ATOM 0 HB3 ASN A 77 23.613 -31.923 -12.307 1.00 12.33 H new ATOM 0 HD21 ASN A 77 23.081 -28.089 -13.740 1.00 2.43 H new ATOM 0 HD22 ASN A 77 23.627 -28.390 -12.087 1.00 2.43 H new ATOM 1226 N LYS A 78 22.053 -32.533 -9.079 1.00 54.40 N ATOM 1227 CA LYS A 78 21.987 -33.819 -8.395 1.00 40.33 C ATOM 1228 C LYS A 78 20.603 -34.047 -7.797 1.00 54.11 C ATOM 1229 O LYS A 78 20.181 -35.187 -7.601 1.00 53.25 O ATOM 1230 CB LYS A 78 23.048 -33.889 -7.295 1.00 31.15 C ATOM 1231 CG LYS A 78 24.472 -33.804 -7.816 1.00 11.21 C ATOM 1232 CD LYS A 78 25.453 -34.479 -6.872 1.00 13.32 C ATOM 1233 CE LYS A 78 25.587 -35.963 -7.176 1.00 2.05 C ATOM 1234 NZ LYS A 78 26.462 -36.654 -6.189 1.00 24.14 N ATOM 0 H LYS A 78 22.064 -31.725 -8.456 1.00 54.40 H new ATOM 0 HA LYS A 78 22.180 -34.603 -9.128 1.00 40.33 H new ATOM 0 HB2 LYS A 78 22.880 -33.077 -6.588 1.00 31.15 H new ATOM 0 HB3 LYS A 78 22.927 -34.822 -6.744 1.00 31.15 H new ATOM 0 HG2 LYS A 78 24.530 -34.273 -8.798 1.00 11.21 H new ATOM 0 HG3 LYS A 78 24.751 -32.758 -7.945 1.00 11.21 H new ATOM 0 HD2 LYS A 78 26.428 -34.000 -6.956 1.00 13.32 H new ATOM 0 HD3 LYS A 78 25.120 -34.346 -5.843 1.00 13.32 H new ATOM 0 HE2 LYS A 78 24.600 -36.425 -7.172 1.00 2.05 H new ATOM 0 HE3 LYS A 78 25.996 -36.093 -8.178 1.00 2.05 H new ATOM 0 HZ1 LYS A 78 26.528 -37.663 -6.431 1.00 24.14 H new ATOM 0 HZ2 LYS A 78 27.411 -36.230 -6.210 1.00 24.14 H new ATOM 0 HZ3 LYS A 78 26.058 -36.552 -5.236 1.00 24.14 H new ATOM 1248 N ASP A 79 19.900 -32.957 -7.510 1.00 42.51 N ATOM 1249 CA ASP A 79 18.562 -33.038 -6.937 1.00 31.04 C ATOM 1250 C ASP A 79 17.595 -33.712 -7.906 1.00 4.52 C ATOM 1251 O ASP A 79 16.525 -34.176 -7.510 1.00 42.32 O ATOM 1252 CB ASP A 79 18.052 -31.642 -6.577 1.00 2.35 C ATOM 1253 CG ASP A 79 18.971 -30.922 -5.609 1.00 12.31 C ATOM 1254 OD1 ASP A 79 19.518 -31.587 -4.705 1.00 45.21 O ATOM 1255 OD2 ASP A 79 19.142 -29.693 -5.755 1.00 35.01 O ATOM 0 H ASP A 79 20.235 -32.006 -7.665 1.00 42.51 H new ATOM 0 HA ASP A 79 18.619 -33.640 -6.030 1.00 31.04 H new ATOM 0 HB2 ASP A 79 17.951 -31.050 -7.486 1.00 2.35 H new ATOM 0 HB3 ASP A 79 17.058 -31.724 -6.137 1.00 2.35 H new ATOM 1260 N LEU A 80 17.979 -33.761 -9.177 1.00 13.42 N ATOM 1261 CA LEU A 80 17.146 -34.376 -10.204 1.00 33.51 C ATOM 1262 C LEU A 80 17.759 -35.686 -10.690 1.00 44.51 C ATOM 1263 O LEU A 80 17.085 -36.505 -11.313 1.00 30.23 O ATOM 1264 CB LEU A 80 16.962 -33.418 -11.382 1.00 14.13 C ATOM 1265 CG LEU A 80 18.120 -32.457 -11.652 1.00 55.50 C ATOM 1266 CD1 LEU A 80 19.362 -33.224 -12.079 1.00 15.54 C ATOM 1267 CD2 LEU A 80 17.730 -31.437 -12.712 1.00 53.12 C ATOM 0 H LEU A 80 18.862 -33.382 -9.521 1.00 13.42 H new ATOM 0 HA LEU A 80 16.172 -34.592 -9.765 1.00 33.51 H new ATOM 0 HB2 LEU A 80 16.789 -34.009 -12.281 1.00 14.13 H new ATOM 0 HB3 LEU A 80 16.061 -32.830 -11.209 1.00 14.13 H new ATOM 0 HG LEU A 80 18.347 -31.924 -10.729 1.00 55.50 H new ATOM 0 HD11 LEU A 80 20.176 -32.523 -12.267 1.00 15.54 H new ATOM 0 HD12 LEU A 80 19.653 -33.915 -11.288 1.00 15.54 H new ATOM 0 HD13 LEU A 80 19.149 -33.784 -12.989 1.00 15.54 H new ATOM 0 HD21 LEU A 80 18.566 -30.761 -12.892 1.00 53.12 H new ATOM 0 HD22 LEU A 80 17.476 -31.953 -13.638 1.00 53.12 H new ATOM 0 HD23 LEU A 80 16.869 -30.865 -12.367 1.00 53.12 H new ATOM 1279 N ALA A 81 19.042 -35.876 -10.399 1.00 42.54 N ATOM 1280 CA ALA A 81 19.746 -37.087 -10.803 1.00 53.41 C ATOM 1281 C ALA A 81 19.143 -38.319 -10.137 1.00 62.24 C ATOM 1282 O ALA A 81 19.106 -39.398 -10.728 1.00 22.24 O ATOM 1283 CB ALA A 81 21.226 -36.974 -10.468 1.00 54.22 C ATOM 0 H ALA A 81 19.615 -35.207 -9.885 1.00 42.54 H new ATOM 0 HA ALA A 81 19.637 -37.199 -11.882 1.00 53.41 H new ATOM 0 HB1 ALA A 81 21.739 -37.885 -10.775 1.00 54.22 H new ATOM 0 HB2 ALA A 81 21.654 -36.121 -10.995 1.00 54.22 H new ATOM 0 HB3 ALA A 81 21.346 -36.834 -9.394 1.00 54.22 H new ATOM 1289 N GLU A 82 18.673 -38.151 -8.905 1.00 42.44 N ATOM 1290 CA GLU A 82 18.074 -39.251 -8.160 1.00 31.31 C ATOM 1291 C GLU A 82 16.590 -39.387 -8.488 1.00 51.45 C ATOM 1292 O GLU A 82 16.028 -40.481 -8.435 1.00 34.25 O ATOM 1293 CB GLU A 82 18.257 -39.037 -6.656 1.00 21.41 C ATOM 1294 CG GLU A 82 19.706 -38.845 -6.241 1.00 10.15 C ATOM 1295 CD GLU A 82 20.503 -40.134 -6.288 1.00 73.22 C ATOM 1296 OE1 GLU A 82 20.029 -41.146 -5.731 1.00 31.10 O ATOM 1297 OE2 GLU A 82 21.601 -40.131 -6.884 1.00 13.44 O ATOM 0 H GLU A 82 18.696 -37.264 -8.402 1.00 42.44 H new ATOM 0 HA GLU A 82 18.579 -40.171 -8.453 1.00 31.31 H new ATOM 0 HB2 GLU A 82 17.681 -38.164 -6.349 1.00 21.41 H new ATOM 0 HB3 GLU A 82 17.846 -39.894 -6.123 1.00 21.41 H new ATOM 0 HG2 GLU A 82 20.173 -38.110 -6.896 1.00 10.15 H new ATOM 0 HG3 GLU A 82 19.740 -38.438 -5.230 1.00 10.15 H new ATOM 1304 N LEU A 83 15.961 -38.267 -8.828 1.00 50.13 N ATOM 1305 CA LEU A 83 14.542 -38.259 -9.165 1.00 54.34 C ATOM 1306 C LEU A 83 14.291 -38.985 -10.483 1.00 33.31 C ATOM 1307 O LEU A 83 13.487 -39.916 -10.546 1.00 52.24 O ATOM 1308 CB LEU A 83 14.027 -36.821 -9.257 1.00 23.03 C ATOM 1309 CG LEU A 83 12.719 -36.624 -10.024 1.00 4.51 C ATOM 1310 CD1 LEU A 83 11.633 -37.531 -9.469 1.00 15.24 C ATOM 1311 CD2 LEU A 83 12.282 -35.167 -9.966 1.00 70.12 C ATOM 0 H LEU A 83 16.411 -37.353 -8.878 1.00 50.13 H new ATOM 0 HA LEU A 83 14.004 -38.782 -8.374 1.00 54.34 H new ATOM 0 HB2 LEU A 83 13.892 -36.439 -8.245 1.00 23.03 H new ATOM 0 HB3 LEU A 83 14.797 -36.210 -9.728 1.00 23.03 H new ATOM 0 HG LEU A 83 12.888 -36.891 -11.067 1.00 4.51 H new ATOM 0 HD11 LEU A 83 10.710 -37.377 -10.027 1.00 15.24 H new ATOM 0 HD12 LEU A 83 11.945 -38.571 -9.563 1.00 15.24 H new ATOM 0 HD13 LEU A 83 11.465 -37.296 -8.418 1.00 15.24 H new ATOM 0 HD21 LEU A 83 11.349 -35.045 -10.517 1.00 70.12 H new ATOM 0 HD22 LEU A 83 12.131 -34.874 -8.927 1.00 70.12 H new ATOM 0 HD23 LEU A 83 13.052 -34.538 -10.412 1.00 70.12 H new ATOM 1323 N ILE A 84 14.985 -38.556 -11.531 1.00 50.51 N ATOM 1324 CA ILE A 84 14.840 -39.167 -12.846 1.00 74.50 C ATOM 1325 C ILE A 84 15.231 -40.641 -12.813 1.00 12.01 C ATOM 1326 O ILE A 84 14.457 -41.508 -13.215 1.00 73.25 O ATOM 1327 CB ILE A 84 15.697 -38.444 -13.902 1.00 34.05 C ATOM 1328 CG1 ILE A 84 15.309 -36.966 -13.979 1.00 53.02 C ATOM 1329 CG2 ILE A 84 15.538 -39.111 -15.260 1.00 4.22 C ATOM 1330 CD1 ILE A 84 16.381 -36.091 -14.590 1.00 22.13 C ATOM 0 H ILE A 84 15.654 -37.787 -11.495 1.00 50.51 H new ATOM 0 HA ILE A 84 13.789 -39.078 -13.121 1.00 74.50 H new ATOM 0 HB ILE A 84 16.744 -38.511 -13.607 1.00 34.05 H new ATOM 0 HG12 ILE A 84 14.395 -36.869 -14.564 1.00 53.02 H new ATOM 0 HG13 ILE A 84 15.085 -36.605 -12.975 1.00 53.02 H new ATOM 0 HG21 ILE A 84 16.150 -38.589 -15.996 1.00 4.22 H new ATOM 0 HG22 ILE A 84 15.858 -40.151 -15.194 1.00 4.22 H new ATOM 0 HG23 ILE A 84 14.492 -39.072 -15.564 1.00 4.22 H new ATOM 0 HD11 ILE A 84 16.037 -35.057 -14.613 1.00 22.13 H new ATOM 0 HD12 ILE A 84 17.290 -36.158 -13.992 1.00 22.13 H new ATOM 0 HD13 ILE A 84 16.589 -36.426 -15.606 1.00 22.13 H new ATOM 1342 N ASN A 85 16.437 -40.916 -12.328 1.00 63.54 N ATOM 1343 CA ASN A 85 16.931 -42.286 -12.241 1.00 45.10 C ATOM 1344 C ASN A 85 15.929 -43.181 -11.519 1.00 11.10 C ATOM 1345 O ASN A 85 15.614 -44.278 -11.981 1.00 14.22 O ATOM 1346 CB ASN A 85 18.278 -42.319 -11.514 1.00 75.04 C ATOM 1347 CG ASN A 85 19.441 -42.020 -12.439 1.00 44.14 C ATOM 1348 OD1 ASN A 85 19.297 -40.982 -13.255 1.00 41.13 O flip ATOM 1349 ND2 ASN A 85 20.458 -42.714 -12.420 1.00 1.10 N flip ATOM 0 H ASN A 85 17.090 -40.209 -11.989 1.00 63.54 H new ATOM 0 HA ASN A 85 17.063 -42.663 -13.255 1.00 45.10 H new ATOM 0 HB2 ASN A 85 18.267 -41.592 -10.702 1.00 75.04 H new ATOM 0 HB3 ASN A 85 18.420 -43.301 -11.062 1.00 75.04 H new ATOM 0 HD21 ASN A 85 20.526 -43.502 -11.776 1.00 1.10 H new ATOM 0 HD22 ASN A 85 21.233 -42.500 -13.048 1.00 1.10 H new ATOM 1356 N LYS A 86 15.430 -42.705 -10.383 1.00 23.10 N ATOM 1357 CA LYS A 86 14.462 -43.460 -9.597 1.00 12.35 C ATOM 1358 C LYS A 86 13.158 -43.641 -10.367 1.00 41.02 C ATOM 1359 O LYS A 86 12.399 -44.575 -10.110 1.00 41.11 O ATOM 1360 CB LYS A 86 14.187 -42.749 -8.269 1.00 64.22 C ATOM 1361 CG LYS A 86 13.222 -43.498 -7.367 1.00 11.23 C ATOM 1362 CD LYS A 86 13.849 -44.764 -6.807 1.00 43.50 C ATOM 1363 CE LYS A 86 15.015 -44.446 -5.883 1.00 62.22 C ATOM 1364 NZ LYS A 86 15.340 -45.590 -4.987 1.00 34.05 N ATOM 0 H LYS A 86 15.680 -41.799 -9.986 1.00 23.10 H new ATOM 0 HA LYS A 86 14.884 -44.444 -9.395 1.00 12.35 H new ATOM 0 HB2 LYS A 86 15.130 -42.607 -7.740 1.00 64.22 H new ATOM 0 HB3 LYS A 86 13.784 -41.757 -8.474 1.00 64.22 H new ATOM 0 HG2 LYS A 86 12.913 -42.851 -6.546 1.00 11.23 H new ATOM 0 HG3 LYS A 86 12.323 -43.754 -7.928 1.00 11.23 H new ATOM 0 HD2 LYS A 86 13.096 -45.334 -6.262 1.00 43.50 H new ATOM 0 HD3 LYS A 86 14.194 -45.394 -7.627 1.00 43.50 H new ATOM 0 HE2 LYS A 86 15.891 -44.191 -6.479 1.00 62.22 H new ATOM 0 HE3 LYS A 86 14.773 -43.570 -5.281 1.00 62.22 H new ATOM 0 HZ1 LYS A 86 16.139 -45.334 -4.373 1.00 34.05 H new ATOM 0 HZ2 LYS A 86 14.512 -45.818 -4.400 1.00 34.05 H new ATOM 0 HZ3 LYS A 86 15.596 -46.419 -5.561 1.00 34.05 H new ATOM 1378 N MET A 87 12.906 -42.743 -11.314 1.00 13.23 N ATOM 1379 CA MET A 87 11.695 -42.806 -12.123 1.00 75.25 C ATOM 1380 C MET A 87 11.727 -44.012 -13.057 1.00 21.43 C ATOM 1381 O MET A 87 10.941 -44.948 -12.905 1.00 51.51 O ATOM 1382 CB MET A 87 11.532 -41.521 -12.937 1.00 73.15 C ATOM 1383 CG MET A 87 10.195 -40.830 -12.721 1.00 62.13 C ATOM 1384 SD MET A 87 8.792 -41.913 -13.053 1.00 11.42 S ATOM 1385 CE MET A 87 8.796 -41.933 -14.844 1.00 31.32 C ATOM 0 H MET A 87 13.524 -41.964 -11.540 1.00 13.23 H new ATOM 0 HA MET A 87 10.844 -42.912 -11.450 1.00 75.25 H new ATOM 0 HB2 MET A 87 12.335 -40.831 -12.676 1.00 73.15 H new ATOM 0 HB3 MET A 87 11.644 -41.755 -13.996 1.00 73.15 H new ATOM 0 HG2 MET A 87 10.137 -40.472 -11.693 1.00 62.13 H new ATOM 0 HG3 MET A 87 10.134 -39.955 -13.367 1.00 62.13 H new ATOM 0 HE1 MET A 87 8.404 -42.887 -15.198 1.00 31.32 H new ATOM 0 HE2 MET A 87 8.171 -41.123 -15.218 1.00 31.32 H new ATOM 0 HE3 MET A 87 9.815 -41.802 -15.207 1.00 31.32 H new ATOM 1395 N ARG A 88 12.641 -43.984 -14.022 1.00 14.15 N ATOM 1396 CA ARG A 88 12.774 -45.074 -14.980 1.00 32.51 C ATOM 1397 C ARG A 88 12.916 -46.414 -14.263 1.00 44.10 C ATOM 1398 O ARG A 88 12.534 -47.458 -14.793 1.00 43.04 O ATOM 1399 CB ARG A 88 13.982 -44.839 -15.888 1.00 41.12 C ATOM 1400 CG ARG A 88 15.285 -44.643 -15.130 1.00 71.31 C ATOM 1401 CD ARG A 88 16.491 -44.925 -16.013 1.00 13.11 C ATOM 1402 NE ARG A 88 16.802 -46.350 -16.076 1.00 20.32 N ATOM 1403 CZ ARG A 88 17.700 -46.870 -16.905 1.00 22.52 C ATOM 1404 NH1 ARG A 88 18.372 -46.086 -17.736 1.00 64.31 N ATOM 1405 NH2 ARG A 88 17.928 -48.178 -16.903 1.00 11.31 N ATOM 0 H ARG A 88 13.300 -43.218 -14.161 1.00 14.15 H new ATOM 0 HA ARG A 88 11.870 -45.101 -15.589 1.00 32.51 H new ATOM 0 HB2 ARG A 88 14.089 -45.688 -16.563 1.00 41.12 H new ATOM 0 HB3 ARG A 88 13.796 -43.961 -16.506 1.00 41.12 H new ATOM 0 HG2 ARG A 88 15.339 -43.621 -14.754 1.00 71.31 H new ATOM 0 HG3 ARG A 88 15.305 -45.303 -14.263 1.00 71.31 H new ATOM 0 HD2 ARG A 88 16.299 -44.551 -17.019 1.00 13.11 H new ATOM 0 HD3 ARG A 88 17.355 -44.382 -15.630 1.00 13.11 H new ATOM 0 HE ARG A 88 16.302 -46.981 -15.449 1.00 20.32 H new ATOM 0 HH11 ARG A 88 18.200 -45.081 -17.740 1.00 64.31 H new ATOM 0 HH12 ARG A 88 19.061 -46.488 -18.372 1.00 64.31 H new ATOM 0 HH21 ARG A 88 17.413 -48.784 -16.264 1.00 11.31 H new ATOM 0 HH22 ARG A 88 18.618 -48.576 -17.540 1.00 11.31 H new ATOM 1419 N LEU A 89 13.469 -46.377 -13.056 1.00 11.35 N ATOM 1420 CA LEU A 89 13.663 -47.588 -12.265 1.00 52.53 C ATOM 1421 C LEU A 89 12.379 -47.974 -11.538 1.00 22.33 C ATOM 1422 O LEU A 89 12.110 -49.155 -11.319 1.00 14.11 O ATOM 1423 CB LEU A 89 14.794 -47.385 -11.255 1.00 72.44 C ATOM 1424 CG LEU A 89 14.905 -48.439 -10.153 1.00 3.13 C ATOM 1425 CD1 LEU A 89 15.318 -49.781 -10.737 1.00 34.25 C ATOM 1426 CD2 LEU A 89 15.895 -47.992 -9.087 1.00 20.35 C ATOM 0 H LEU A 89 13.791 -45.522 -12.603 1.00 11.35 H new ATOM 0 HA LEU A 89 13.932 -48.397 -12.944 1.00 52.53 H new ATOM 0 HB2 LEU A 89 15.739 -47.355 -11.798 1.00 72.44 H new ATOM 0 HB3 LEU A 89 14.665 -46.410 -10.786 1.00 72.44 H new ATOM 0 HG LEU A 89 13.926 -48.555 -9.687 1.00 3.13 H new ATOM 0 HD11 LEU A 89 15.392 -50.518 -9.938 1.00 34.25 H new ATOM 0 HD12 LEU A 89 14.573 -50.106 -11.463 1.00 34.25 H new ATOM 0 HD13 LEU A 89 16.285 -49.681 -11.229 1.00 34.25 H new ATOM 0 HD21 LEU A 89 15.962 -48.754 -8.310 1.00 20.35 H new ATOM 0 HD22 LEU A 89 16.876 -47.848 -9.539 1.00 20.35 H new ATOM 0 HD23 LEU A 89 15.557 -47.054 -8.647 1.00 20.35 H new ATOM 1438 N ALA A 90 11.590 -46.971 -11.167 1.00 71.22 N ATOM 1439 CA ALA A 90 10.333 -47.206 -10.468 1.00 74.54 C ATOM 1440 C ALA A 90 9.267 -47.738 -11.420 1.00 74.14 C ATOM 1441 O ALA A 90 8.581 -48.714 -11.116 1.00 0.44 O ATOM 1442 CB ALA A 90 9.854 -45.927 -9.798 1.00 71.22 C ATOM 0 H ALA A 90 11.799 -45.988 -11.339 1.00 71.22 H new ATOM 0 HA ALA A 90 10.508 -47.961 -9.701 1.00 74.54 H new ATOM 0 HB1 ALA A 90 8.914 -46.118 -9.280 1.00 71.22 H new ATOM 0 HB2 ALA A 90 10.602 -45.590 -9.080 1.00 71.22 H new ATOM 0 HB3 ALA A 90 9.702 -45.156 -10.553 1.00 71.22 H new ATOM 1448 N GLN A 91 9.133 -47.090 -12.573 1.00 13.11 N ATOM 1449 CA GLN A 91 8.148 -47.498 -13.568 1.00 43.23 C ATOM 1450 C GLN A 91 8.311 -48.972 -13.922 1.00 34.51 C ATOM 1451 O GLN A 91 7.342 -49.645 -14.274 1.00 64.44 O ATOM 1452 CB GLN A 91 8.281 -46.641 -14.829 1.00 23.33 C ATOM 1453 CG GLN A 91 9.591 -46.851 -15.571 1.00 41.23 C ATOM 1454 CD GLN A 91 9.697 -45.998 -16.820 1.00 0.31 C ATOM 1455 OE1 GLN A 91 9.604 -44.684 -16.649 1.00 72.30 O flip ATOM 1456 NE2 GLN A 91 9.861 -46.513 -17.926 1.00 73.13 N flip ATOM 0 H GLN A 91 9.694 -46.281 -12.841 1.00 13.11 H new ATOM 0 HA GLN A 91 7.156 -47.353 -13.141 1.00 43.23 H new ATOM 0 HB2 GLN A 91 7.452 -46.866 -15.500 1.00 23.33 H new ATOM 0 HB3 GLN A 91 8.193 -45.590 -14.555 1.00 23.33 H new ATOM 0 HG2 GLN A 91 10.422 -46.619 -14.905 1.00 41.23 H new ATOM 0 HG3 GLN A 91 9.685 -47.902 -15.844 1.00 41.23 H new ATOM 0 HE21 GLN A 91 9.927 -47.527 -18.012 1.00 73.13 H new ATOM 0 HE22 GLN A 91 9.931 -45.925 -18.757 1.00 73.13 H new ATOM 1465 N GLN A 92 9.540 -49.467 -13.825 1.00 64.24 N ATOM 1466 CA GLN A 92 9.829 -50.862 -14.136 1.00 74.35 C ATOM 1467 C GLN A 92 8.958 -51.797 -13.303 1.00 40.12 C ATOM 1468 O GLN A 92 9.137 -51.912 -12.091 1.00 50.45 O ATOM 1469 CB GLN A 92 11.307 -51.167 -13.889 1.00 20.12 C ATOM 1470 CG GLN A 92 12.218 -50.725 -15.023 1.00 33.11 C ATOM 1471 CD GLN A 92 13.362 -51.690 -15.263 1.00 32.33 C ATOM 1472 OE1 GLN A 92 13.657 -52.050 -16.403 1.00 23.14 O ATOM 1473 NE2 GLN A 92 14.013 -52.116 -14.187 1.00 3.55 N ATOM 0 H GLN A 92 10.352 -48.923 -13.533 1.00 64.24 H new ATOM 0 HA GLN A 92 9.603 -51.027 -15.190 1.00 74.35 H new ATOM 0 HB2 GLN A 92 11.622 -50.675 -12.969 1.00 20.12 H new ATOM 0 HB3 GLN A 92 11.427 -52.239 -13.735 1.00 20.12 H new ATOM 0 HG2 GLN A 92 11.632 -50.627 -15.937 1.00 33.11 H new ATOM 0 HG3 GLN A 92 12.622 -49.738 -14.796 1.00 33.11 H new ATOM 0 HE21 GLN A 92 13.735 -51.792 -13.261 1.00 3.55 H new ATOM 0 HE22 GLN A 92 14.791 -52.768 -14.287 1.00 3.55 H new ATOM 1482 N ASN A 93 8.015 -52.463 -13.961 1.00 53.35 N ATOM 1483 CA ASN A 93 7.115 -53.387 -13.281 1.00 21.03 C ATOM 1484 C ASN A 93 7.789 -54.738 -13.059 1.00 51.21 C ATOM 1485 O ASN A 93 7.665 -55.647 -13.880 1.00 1.44 O ATOM 1486 CB ASN A 93 5.831 -53.572 -14.092 1.00 10.13 C ATOM 1487 CG ASN A 93 5.086 -52.267 -14.301 1.00 24.50 C ATOM 1488 OD1 ASN A 93 5.265 -51.594 -15.316 1.00 11.01 O ATOM 1489 ND2 ASN A 93 4.246 -51.905 -13.338 1.00 44.25 N ATOM 0 H ASN A 93 7.854 -52.380 -14.965 1.00 53.35 H new ATOM 0 HA ASN A 93 6.864 -52.962 -12.309 1.00 21.03 H new ATOM 0 HB2 ASN A 93 6.076 -54.007 -15.061 1.00 10.13 H new ATOM 0 HB3 ASN A 93 5.180 -54.281 -13.580 1.00 10.13 H new ATOM 0 HD21 ASN A 93 3.717 -51.037 -13.422 1.00 44.25 H new ATOM 0 HD22 ASN A 93 4.130 -52.495 -12.514 1.00 44.25 H new ATOM 1496 N ALA A 94 8.501 -54.862 -11.944 1.00 44.41 N ATOM 1497 CA ALA A 94 9.192 -56.102 -11.613 1.00 4.51 C ATOM 1498 C ALA A 94 8.439 -56.880 -10.540 1.00 30.22 C ATOM 1499 O ALA A 94 7.691 -56.304 -9.750 1.00 53.33 O ATOM 1500 CB ALA A 94 10.613 -55.808 -11.155 1.00 3.32 C ATOM 0 H ALA A 94 8.614 -54.119 -11.255 1.00 44.41 H new ATOM 0 HA ALA A 94 9.231 -56.718 -12.511 1.00 4.51 H new ATOM 0 HB1 ALA A 94 11.117 -56.743 -10.911 1.00 3.32 H new ATOM 0 HB2 ALA A 94 11.155 -55.301 -11.953 1.00 3.32 H new ATOM 0 HB3 ALA A 94 10.586 -55.169 -10.272 1.00 3.32 H new ATOM 1506 N VAL A 95 8.641 -58.194 -10.517 1.00 12.11 N ATOM 1507 CA VAL A 95 7.981 -59.052 -9.540 1.00 54.22 C ATOM 1508 C VAL A 95 8.279 -58.595 -8.117 1.00 10.23 C ATOM 1509 O VAL A 95 7.463 -58.772 -7.211 1.00 41.13 O ATOM 1510 CB VAL A 95 8.416 -60.521 -9.698 1.00 43.40 C ATOM 1511 CG1 VAL A 95 7.627 -61.416 -8.755 1.00 71.25 C ATOM 1512 CG2 VAL A 95 8.250 -60.973 -11.141 1.00 21.12 C ATOM 0 H VAL A 95 9.256 -58.687 -11.164 1.00 12.11 H new ATOM 0 HA VAL A 95 6.910 -58.977 -9.726 1.00 54.22 H new ATOM 0 HB VAL A 95 9.471 -60.600 -9.436 1.00 43.40 H new ATOM 0 HG11 VAL A 95 7.948 -62.450 -8.881 1.00 71.25 H new ATOM 0 HG12 VAL A 95 7.803 -61.104 -7.725 1.00 71.25 H new ATOM 0 HG13 VAL A 95 6.564 -61.336 -8.982 1.00 71.25 H new ATOM 0 HG21 VAL A 95 8.562 -62.013 -11.235 1.00 21.12 H new ATOM 0 HG22 VAL A 95 7.204 -60.880 -11.433 1.00 21.12 H new ATOM 0 HG23 VAL A 95 8.865 -60.350 -11.790 1.00 21.12 H new ATOM 1522 N THR A 96 9.455 -58.004 -7.925 1.00 34.54 N ATOM 1523 CA THR A 96 9.862 -57.522 -6.611 1.00 41.01 C ATOM 1524 C THR A 96 8.793 -56.623 -6.000 1.00 25.02 C ATOM 1525 O THR A 96 8.135 -55.858 -6.704 1.00 72.23 O ATOM 1526 CB THR A 96 11.190 -56.745 -6.685 1.00 52.41 C ATOM 1527 OG1 THR A 96 12.089 -57.395 -7.590 1.00 74.32 O ATOM 1528 CG2 THR A 96 11.833 -56.640 -5.311 1.00 23.54 C ATOM 0 H THR A 96 10.142 -57.848 -8.663 1.00 34.54 H new ATOM 0 HA THR A 96 9.998 -58.400 -5.980 1.00 41.01 H new ATOM 0 HB THR A 96 10.977 -55.739 -7.046 1.00 52.41 H new ATOM 0 HG1 THR A 96 12.930 -56.894 -7.632 1.00 74.32 H new ATOM 0 HG21 THR A 96 12.769 -56.087 -5.389 1.00 23.54 H new ATOM 0 HG22 THR A 96 11.158 -56.118 -4.633 1.00 23.54 H new ATOM 0 HG23 THR A 96 12.033 -57.640 -4.925 1.00 23.54 H new ATOM 1536 N SER A 97 8.627 -56.720 -4.685 1.00 12.34 N ATOM 1537 CA SER A 97 7.635 -55.917 -3.979 1.00 2.24 C ATOM 1538 C SER A 97 8.271 -54.660 -3.393 1.00 41.41 C ATOM 1539 O SER A 97 7.786 -54.107 -2.405 1.00 51.53 O ATOM 1540 CB SER A 97 6.982 -56.738 -2.865 1.00 3.20 C ATOM 1541 OG SER A 97 6.436 -57.943 -3.373 1.00 3.21 O ATOM 0 H SER A 97 9.166 -57.346 -4.087 1.00 12.34 H new ATOM 0 HA SER A 97 6.870 -55.617 -4.695 1.00 2.24 H new ATOM 0 HB2 SER A 97 7.720 -56.965 -2.096 1.00 3.20 H new ATOM 0 HB3 SER A 97 6.196 -56.151 -2.389 1.00 3.20 H new ATOM 0 HG SER A 97 6.026 -58.450 -2.642 1.00 3.21 H new ATOM 1547 N LEU A 98 9.360 -54.213 -4.009 1.00 61.43 N ATOM 1548 CA LEU A 98 10.064 -53.021 -3.551 1.00 24.04 C ATOM 1549 C LEU A 98 9.793 -51.839 -4.476 1.00 4.13 C ATOM 1550 O LEU A 98 10.542 -50.862 -4.486 1.00 42.15 O ATOM 1551 CB LEU A 98 11.568 -53.290 -3.476 1.00 23.24 C ATOM 1552 CG LEU A 98 12.093 -53.796 -2.131 1.00 44.14 C ATOM 1553 CD1 LEU A 98 13.474 -54.412 -2.295 1.00 42.13 C ATOM 1554 CD2 LEU A 98 12.129 -52.665 -1.113 1.00 62.54 C ATOM 0 H LEU A 98 9.775 -54.659 -4.827 1.00 61.43 H new ATOM 0 HA LEU A 98 9.696 -52.772 -2.556 1.00 24.04 H new ATOM 0 HB2 LEU A 98 11.825 -54.022 -4.242 1.00 23.24 H new ATOM 0 HB3 LEU A 98 12.095 -52.369 -3.726 1.00 23.24 H new ATOM 0 HG LEU A 98 11.415 -54.567 -1.764 1.00 44.14 H new ATOM 0 HD11 LEU A 98 13.831 -54.766 -1.328 1.00 42.13 H new ATOM 0 HD12 LEU A 98 13.419 -55.249 -2.991 1.00 42.13 H new ATOM 0 HD13 LEU A 98 14.163 -53.662 -2.684 1.00 42.13 H new ATOM 0 HD21 LEU A 98 12.505 -53.043 -0.162 1.00 62.54 H new ATOM 0 HD22 LEU A 98 12.785 -51.872 -1.473 1.00 62.54 H new ATOM 0 HD23 LEU A 98 11.123 -52.269 -0.974 1.00 62.54 H new ATOM 1566 N SER A 99 8.717 -51.934 -5.249 1.00 73.13 N ATOM 1567 CA SER A 99 8.347 -50.873 -6.179 1.00 63.31 C ATOM 1568 C SER A 99 7.738 -49.688 -5.437 1.00 35.14 C ATOM 1569 O SER A 99 7.866 -48.542 -5.865 1.00 12.20 O ATOM 1570 CB SER A 99 7.359 -51.401 -7.221 1.00 15.53 C ATOM 1571 OG SER A 99 6.417 -50.404 -7.580 1.00 71.41 O ATOM 0 H SER A 99 8.085 -52.735 -5.250 1.00 73.13 H new ATOM 0 HA SER A 99 9.251 -50.535 -6.685 1.00 63.31 H new ATOM 0 HB2 SER A 99 7.901 -51.730 -8.108 1.00 15.53 H new ATOM 0 HB3 SER A 99 6.838 -52.272 -6.824 1.00 15.53 H new ATOM 0 HG SER A 99 5.797 -50.765 -8.248 1.00 71.41 H new ATOM 1577 N GLU A 100 7.074 -49.975 -4.321 1.00 53.20 N ATOM 1578 CA GLU A 100 6.443 -48.933 -3.519 1.00 41.11 C ATOM 1579 C GLU A 100 7.489 -47.984 -2.941 1.00 14.32 C ATOM 1580 O GLU A 100 7.288 -46.770 -2.906 1.00 34.34 O ATOM 1581 CB GLU A 100 5.622 -49.556 -2.388 1.00 4.43 C ATOM 1582 CG GLU A 100 4.301 -50.148 -2.849 1.00 25.31 C ATOM 1583 CD GLU A 100 3.615 -50.957 -1.765 1.00 51.04 C ATOM 1584 OE1 GLU A 100 4.281 -51.819 -1.155 1.00 42.14 O ATOM 1585 OE2 GLU A 100 2.411 -50.727 -1.528 1.00 34.04 O ATOM 0 H GLU A 100 6.959 -50.919 -3.952 1.00 53.20 H new ATOM 0 HA GLU A 100 5.779 -48.362 -4.168 1.00 41.11 H new ATOM 0 HB2 GLU A 100 6.213 -50.337 -1.909 1.00 4.43 H new ATOM 0 HB3 GLU A 100 5.426 -48.796 -1.632 1.00 4.43 H new ATOM 0 HG2 GLU A 100 3.639 -49.344 -3.171 1.00 25.31 H new ATOM 0 HG3 GLU A 100 4.475 -50.784 -3.717 1.00 25.31 H new ATOM 1592 N GLU A 101 8.605 -48.547 -2.488 1.00 54.31 N ATOM 1593 CA GLU A 101 9.681 -47.751 -1.910 1.00 51.41 C ATOM 1594 C GLU A 101 10.232 -46.758 -2.930 1.00 71.31 C ATOM 1595 O GLU A 101 10.650 -45.656 -2.576 1.00 65.54 O ATOM 1596 CB GLU A 101 10.805 -48.660 -1.408 1.00 53.31 C ATOM 1597 CG GLU A 101 11.960 -47.905 -0.772 1.00 50.13 C ATOM 1598 CD GLU A 101 13.237 -48.722 -0.729 1.00 11.33 C ATOM 1599 OE1 GLU A 101 14.012 -48.664 -1.706 1.00 22.32 O ATOM 1600 OE2 GLU A 101 13.460 -49.418 0.283 1.00 25.35 O ATOM 0 H GLU A 101 8.787 -49.550 -2.510 1.00 54.31 H new ATOM 0 HA GLU A 101 9.273 -47.192 -1.068 1.00 51.41 H new ATOM 0 HB2 GLU A 101 10.396 -49.361 -0.681 1.00 53.31 H new ATOM 0 HB3 GLU A 101 11.183 -49.250 -2.242 1.00 53.31 H new ATOM 0 HG2 GLU A 101 12.140 -46.986 -1.330 1.00 50.13 H new ATOM 0 HG3 GLU A 101 11.685 -47.614 0.242 1.00 50.13 H new ATOM 1607 N ALA A 102 10.229 -47.158 -4.197 1.00 73.45 N ATOM 1608 CA ALA A 102 10.726 -46.305 -5.269 1.00 64.02 C ATOM 1609 C ALA A 102 9.794 -45.122 -5.507 1.00 1.13 C ATOM 1610 O ALA A 102 10.225 -44.058 -5.951 1.00 42.40 O ATOM 1611 CB ALA A 102 10.897 -47.110 -6.549 1.00 30.21 C ATOM 0 H ALA A 102 9.888 -48.068 -4.506 1.00 73.45 H new ATOM 0 HA ALA A 102 11.697 -45.914 -4.966 1.00 64.02 H new ATOM 0 HB1 ALA A 102 11.269 -46.460 -7.341 1.00 30.21 H new ATOM 0 HB2 ALA A 102 11.609 -47.918 -6.379 1.00 30.21 H new ATOM 0 HB3 ALA A 102 9.936 -47.530 -6.846 1.00 30.21 H new ATOM 1617 N LYS A 103 8.514 -45.314 -5.208 1.00 73.55 N ATOM 1618 CA LYS A 103 7.519 -44.263 -5.389 1.00 23.54 C ATOM 1619 C LYS A 103 7.722 -43.143 -4.373 1.00 74.24 C ATOM 1620 O LYS A 103 7.956 -41.993 -4.743 1.00 54.53 O ATOM 1621 CB LYS A 103 6.108 -44.840 -5.254 1.00 10.24 C ATOM 1622 CG LYS A 103 5.011 -43.797 -5.381 1.00 74.53 C ATOM 1623 CD LYS A 103 3.717 -44.409 -5.893 1.00 22.22 C ATOM 1624 CE LYS A 103 3.662 -44.405 -7.413 1.00 35.12 C ATOM 1625 NZ LYS A 103 2.516 -45.205 -7.928 1.00 62.21 N ATOM 0 H LYS A 103 8.141 -46.188 -4.839 1.00 73.55 H new ATOM 0 HA LYS A 103 7.641 -43.849 -6.390 1.00 23.54 H new ATOM 0 HB2 LYS A 103 5.962 -45.604 -6.018 1.00 10.24 H new ATOM 0 HB3 LYS A 103 6.018 -45.335 -4.287 1.00 10.24 H new ATOM 0 HG2 LYS A 103 4.836 -43.332 -4.411 1.00 74.53 H new ATOM 0 HG3 LYS A 103 5.335 -43.008 -6.059 1.00 74.53 H new ATOM 0 HD2 LYS A 103 3.627 -45.432 -5.527 1.00 22.22 H new ATOM 0 HD3 LYS A 103 2.868 -43.853 -5.496 1.00 22.22 H new ATOM 0 HE2 LYS A 103 3.579 -43.379 -7.771 1.00 35.12 H new ATOM 0 HE3 LYS A 103 4.594 -44.807 -7.811 1.00 35.12 H new ATOM 0 HZ1 LYS A 103 2.513 -45.178 -8.968 1.00 62.21 H new ATOM 0 HZ2 LYS A 103 2.609 -46.190 -7.608 1.00 62.21 H new ATOM 0 HZ3 LYS A 103 1.625 -44.807 -7.569 1.00 62.21 H new ATOM 1639 N ARG A 104 7.631 -43.488 -3.093 1.00 41.40 N ATOM 1640 CA ARG A 104 7.805 -42.511 -2.025 1.00 14.41 C ATOM 1641 C ARG A 104 9.127 -41.765 -2.180 1.00 21.25 C ATOM 1642 O ARG A 104 9.211 -40.569 -1.904 1.00 3.21 O ATOM 1643 CB ARG A 104 7.752 -43.200 -0.660 1.00 61.24 C ATOM 1644 CG ARG A 104 8.591 -44.466 -0.585 1.00 11.52 C ATOM 1645 CD ARG A 104 8.886 -44.853 0.856 1.00 40.03 C ATOM 1646 NE ARG A 104 8.477 -46.224 1.149 1.00 50.04 N ATOM 1647 CZ ARG A 104 7.212 -46.594 1.312 1.00 32.42 C ATOM 1648 NH1 ARG A 104 6.238 -45.701 1.212 1.00 54.33 N ATOM 1649 NH2 ARG A 104 6.919 -47.861 1.577 1.00 60.35 N ATOM 0 H ARG A 104 7.438 -44.436 -2.770 1.00 41.40 H new ATOM 0 HA ARG A 104 6.991 -41.789 -2.091 1.00 14.41 H new ATOM 0 HB2 ARG A 104 8.094 -42.502 0.104 1.00 61.24 H new ATOM 0 HB3 ARG A 104 6.716 -43.446 -0.426 1.00 61.24 H new ATOM 0 HG2 ARG A 104 8.066 -45.282 -1.082 1.00 11.52 H new ATOM 0 HG3 ARG A 104 9.528 -44.316 -1.122 1.00 11.52 H new ATOM 0 HD2 ARG A 104 9.953 -44.744 1.049 1.00 40.03 H new ATOM 0 HD3 ARG A 104 8.368 -44.169 1.528 1.00 40.03 H new ATOM 0 HE ARG A 104 9.202 -46.936 1.233 1.00 50.04 H new ATOM 0 HH11 ARG A 104 6.459 -44.726 1.009 1.00 54.33 H new ATOM 0 HH12 ARG A 104 5.268 -45.989 1.338 1.00 54.33 H new ATOM 0 HH21 ARG A 104 7.666 -48.551 1.656 1.00 60.35 H new ATOM 0 HH22 ARG A 104 5.947 -48.144 1.702 1.00 60.35 H new ATOM 1663 N GLN A 105 10.156 -42.481 -2.621 1.00 70.41 N ATOM 1664 CA GLN A 105 11.474 -41.887 -2.811 1.00 21.52 C ATOM 1665 C GLN A 105 11.481 -40.950 -4.014 1.00 12.14 C ATOM 1666 O GLN A 105 12.278 -40.015 -4.079 1.00 40.32 O ATOM 1667 CB GLN A 105 12.528 -42.981 -2.996 1.00 34.03 C ATOM 1668 CG GLN A 105 13.065 -43.535 -1.686 1.00 63.54 C ATOM 1669 CD GLN A 105 13.620 -42.455 -0.779 1.00 61.11 C ATOM 1670 OE1 GLN A 105 14.681 -41.890 -1.045 1.00 2.41 O ATOM 1671 NE2 GLN A 105 12.904 -42.162 0.300 1.00 74.02 N ATOM 0 H GLN A 105 10.103 -43.473 -2.853 1.00 70.41 H new ATOM 0 HA GLN A 105 11.715 -41.307 -1.920 1.00 21.52 H new ATOM 0 HB2 GLN A 105 12.096 -43.796 -3.576 1.00 34.03 H new ATOM 0 HB3 GLN A 105 13.357 -42.580 -3.579 1.00 34.03 H new ATOM 0 HG2 GLN A 105 12.267 -44.066 -1.166 1.00 63.54 H new ATOM 0 HG3 GLN A 105 13.847 -44.264 -1.898 1.00 63.54 H new ATOM 0 HE21 GLN A 105 12.030 -42.656 0.482 1.00 74.02 H new ATOM 0 HE22 GLN A 105 13.228 -41.443 0.947 1.00 74.02 H new ATOM 1680 N MET A 106 10.587 -41.207 -4.963 1.00 64.32 N ATOM 1681 CA MET A 106 10.490 -40.385 -6.164 1.00 24.12 C ATOM 1682 C MET A 106 9.949 -38.998 -5.831 1.00 31.52 C ATOM 1683 O MET A 106 10.587 -37.986 -6.121 1.00 10.42 O ATOM 1684 CB MET A 106 9.591 -41.062 -7.200 1.00 14.43 C ATOM 1685 CG MET A 106 9.674 -40.432 -8.581 1.00 12.23 C ATOM 1686 SD MET A 106 8.288 -40.892 -9.639 1.00 24.42 S ATOM 1687 CE MET A 106 8.243 -42.665 -9.384 1.00 54.21 C ATOM 0 H MET A 106 9.920 -41.977 -4.924 1.00 64.32 H new ATOM 0 HA MET A 106 11.491 -40.274 -6.581 1.00 24.12 H new ATOM 0 HB2 MET A 106 9.864 -42.115 -7.273 1.00 14.43 H new ATOM 0 HB3 MET A 106 8.558 -41.023 -6.853 1.00 14.43 H new ATOM 0 HG2 MET A 106 9.704 -39.347 -8.480 1.00 12.23 H new ATOM 0 HG3 MET A 106 10.606 -40.734 -9.058 1.00 12.23 H new ATOM 0 HE1 MET A 106 7.766 -43.144 -10.239 1.00 54.21 H new ATOM 0 HE2 MET A 106 9.260 -43.043 -9.277 1.00 54.21 H new ATOM 0 HE3 MET A 106 7.675 -42.888 -8.481 1.00 54.21 H new ATOM 1697 N LEU A 107 8.769 -38.960 -5.221 1.00 43.21 N ATOM 1698 CA LEU A 107 8.142 -37.697 -4.849 1.00 14.42 C ATOM 1699 C LEU A 107 9.035 -36.903 -3.901 1.00 30.35 C ATOM 1700 O LEU A 107 8.901 -35.685 -3.776 1.00 33.51 O ATOM 1701 CB LEU A 107 6.783 -37.953 -4.193 1.00 65.13 C ATOM 1702 CG LEU A 107 6.205 -36.799 -3.374 1.00 10.11 C ATOM 1703 CD1 LEU A 107 5.750 -35.671 -4.287 1.00 73.54 C ATOM 1704 CD2 LEU A 107 5.052 -37.285 -2.508 1.00 51.00 C ATOM 0 H LEU A 107 8.228 -39.789 -4.974 1.00 43.21 H new ATOM 0 HA LEU A 107 7.996 -37.111 -5.757 1.00 14.42 H new ATOM 0 HB2 LEU A 107 6.068 -38.212 -4.974 1.00 65.13 H new ATOM 0 HB3 LEU A 107 6.874 -38.823 -3.543 1.00 65.13 H new ATOM 0 HG LEU A 107 6.988 -36.415 -2.720 1.00 10.11 H new ATOM 0 HD11 LEU A 107 5.342 -34.859 -3.686 1.00 73.54 H new ATOM 0 HD12 LEU A 107 6.599 -35.304 -4.863 1.00 73.54 H new ATOM 0 HD13 LEU A 107 4.982 -36.040 -4.967 1.00 73.54 H new ATOM 0 HD21 LEU A 107 4.653 -36.450 -1.932 1.00 51.00 H new ATOM 0 HD22 LEU A 107 4.267 -37.695 -3.144 1.00 51.00 H new ATOM 0 HD23 LEU A 107 5.409 -38.058 -1.827 1.00 51.00 H new ATOM 1716 N THR A 108 9.950 -37.601 -3.234 1.00 73.34 N ATOM 1717 CA THR A 108 10.866 -36.963 -2.298 1.00 42.34 C ATOM 1718 C THR A 108 12.086 -36.402 -3.020 1.00 25.02 C ATOM 1719 O THR A 108 12.764 -35.510 -2.511 1.00 41.42 O ATOM 1720 CB THR A 108 11.335 -37.948 -1.211 1.00 13.54 C ATOM 1721 OG1 THR A 108 10.202 -38.531 -0.557 1.00 51.03 O ATOM 1722 CG2 THR A 108 12.211 -37.244 -0.185 1.00 62.32 C ATOM 0 H THR A 108 10.076 -38.609 -3.326 1.00 73.34 H new ATOM 0 HA THR A 108 10.319 -36.147 -1.826 1.00 42.34 H new ATOM 0 HB THR A 108 11.921 -38.732 -1.690 1.00 13.54 H new ATOM 0 HG1 THR A 108 10.014 -39.409 -0.950 1.00 51.03 H new ATOM 0 HG21 THR A 108 12.530 -37.959 0.573 1.00 62.32 H new ATOM 0 HG22 THR A 108 13.087 -36.825 -0.681 1.00 62.32 H new ATOM 0 HG23 THR A 108 11.644 -36.442 0.289 1.00 62.32 H new ATOM 1730 N ALA A 109 12.361 -36.931 -4.208 1.00 15.21 N ATOM 1731 CA ALA A 109 13.498 -36.481 -5.000 1.00 40.43 C ATOM 1732 C ALA A 109 13.143 -35.242 -5.816 1.00 1.33 C ATOM 1733 O ALA A 109 14.024 -34.505 -6.259 1.00 23.31 O ATOM 1734 CB ALA A 109 13.979 -37.597 -5.915 1.00 72.14 C ATOM 0 H ALA A 109 11.811 -37.672 -4.643 1.00 15.21 H new ATOM 0 HA ALA A 109 14.303 -36.215 -4.315 1.00 40.43 H new ATOM 0 HB1 ALA A 109 14.829 -37.246 -6.501 1.00 72.14 H new ATOM 0 HB2 ALA A 109 14.281 -38.455 -5.315 1.00 72.14 H new ATOM 0 HB3 ALA A 109 13.172 -37.890 -6.586 1.00 72.14 H new ATOM 1740 N SER A 110 11.847 -35.018 -6.010 1.00 64.23 N ATOM 1741 CA SER A 110 11.376 -33.871 -6.777 1.00 4.53 C ATOM 1742 C SER A 110 11.468 -32.591 -5.951 1.00 32.25 C ATOM 1743 O SER A 110 12.115 -31.624 -6.353 1.00 11.44 O ATOM 1744 CB SER A 110 9.934 -34.094 -7.234 1.00 53.54 C ATOM 1745 OG SER A 110 9.157 -32.921 -7.062 1.00 32.04 O ATOM 0 H SER A 110 11.105 -35.616 -5.647 1.00 64.23 H new ATOM 0 HA SER A 110 12.015 -33.764 -7.654 1.00 4.53 H new ATOM 0 HB2 SER A 110 9.923 -34.390 -8.283 1.00 53.54 H new ATOM 0 HB3 SER A 110 9.492 -34.913 -6.667 1.00 53.54 H new ATOM 0 HG SER A 110 8.224 -33.169 -6.892 1.00 32.04 H new ATOM 1751 N HIS A 111 10.815 -32.594 -4.793 1.00 12.13 N ATOM 1752 CA HIS A 111 10.822 -31.434 -3.908 1.00 61.21 C ATOM 1753 C HIS A 111 12.247 -30.951 -3.658 1.00 3.32 C ATOM 1754 O HIS A 111 12.484 -29.759 -3.458 1.00 44.22 O ATOM 1755 CB HIS A 111 10.146 -31.775 -2.580 1.00 21.22 C ATOM 1756 CG HIS A 111 9.946 -30.589 -1.688 1.00 0.04 C ATOM 1757 ND1 HIS A 111 9.762 -29.309 -2.167 1.00 72.30 N ATOM 1758 CD2 HIS A 111 9.900 -30.494 -0.338 1.00 42.22 C ATOM 1759 CE1 HIS A 111 9.613 -28.478 -1.151 1.00 61.11 C ATOM 1760 NE2 HIS A 111 9.692 -29.172 -0.030 1.00 5.10 N ATOM 0 H HIS A 111 10.275 -33.386 -4.446 1.00 12.13 H new ATOM 0 HA HIS A 111 10.266 -30.633 -4.395 1.00 61.21 H new ATOM 0 HB2 HIS A 111 9.179 -32.235 -2.782 1.00 21.22 H new ATOM 0 HB3 HIS A 111 10.748 -32.517 -2.055 1.00 21.22 H new ATOM 0 HD2 HIS A 111 10.007 -31.307 0.365 1.00 42.22 H new ATOM 0 HE1 HIS A 111 9.454 -27.412 -1.224 1.00 61.11 H new ATOM 0 HE2 HIS A 111 9.612 -28.788 0.912 1.00 5.10 H new ATOM 1768 N THR A 112 13.194 -31.884 -3.669 1.00 43.30 N ATOM 1769 CA THR A 112 14.595 -31.553 -3.441 1.00 64.55 C ATOM 1770 C THR A 112 15.065 -30.461 -4.395 1.00 14.50 C ATOM 1771 O THR A 112 15.797 -29.551 -4.002 1.00 31.53 O ATOM 1772 CB THR A 112 15.499 -32.790 -3.611 1.00 52.52 C ATOM 1773 OG1 THR A 112 14.755 -33.981 -3.333 1.00 64.44 O ATOM 1774 CG2 THR A 112 16.704 -32.710 -2.686 1.00 71.22 C ATOM 0 H THR A 112 13.016 -32.875 -3.833 1.00 43.30 H new ATOM 0 HA THR A 112 14.671 -31.193 -2.415 1.00 64.55 H new ATOM 0 HB THR A 112 15.854 -32.816 -4.641 1.00 52.52 H new ATOM 0 HG1 THR A 112 15.374 -34.713 -3.130 1.00 64.44 H new ATOM 0 HG21 THR A 112 17.327 -33.593 -2.823 1.00 71.22 H new ATOM 0 HG22 THR A 112 17.284 -31.817 -2.920 1.00 71.22 H new ATOM 0 HG23 THR A 112 16.366 -32.662 -1.651 1.00 71.22 H new ATOM 1782 N LEU A 113 14.638 -30.554 -5.650 1.00 5.23 N ATOM 1783 CA LEU A 113 15.015 -29.571 -6.660 1.00 74.45 C ATOM 1784 C LEU A 113 14.653 -28.160 -6.209 1.00 51.02 C ATOM 1785 O LEU A 113 15.284 -27.186 -6.618 1.00 63.11 O ATOM 1786 CB LEU A 113 14.324 -29.887 -7.989 1.00 24.24 C ATOM 1787 CG LEU A 113 14.897 -31.064 -8.780 1.00 3.34 C ATOM 1788 CD1 LEU A 113 14.337 -32.379 -8.261 1.00 1.11 C ATOM 1789 CD2 LEU A 113 14.600 -30.904 -10.264 1.00 4.45 C ATOM 0 H LEU A 113 14.031 -31.299 -5.992 1.00 5.23 H new ATOM 0 HA LEU A 113 16.095 -29.622 -6.797 1.00 74.45 H new ATOM 0 HB2 LEU A 113 13.271 -30.087 -7.790 1.00 24.24 H new ATOM 0 HB3 LEU A 113 14.366 -28.998 -8.618 1.00 24.24 H new ATOM 0 HG LEU A 113 15.979 -31.075 -8.646 1.00 3.34 H new ATOM 0 HD11 LEU A 113 14.756 -33.205 -8.836 1.00 1.11 H new ATOM 0 HD12 LEU A 113 14.601 -32.497 -7.210 1.00 1.11 H new ATOM 0 HD13 LEU A 113 13.252 -32.379 -8.365 1.00 1.11 H new ATOM 0 HD21 LEU A 113 15.015 -31.750 -10.811 1.00 4.45 H new ATOM 0 HD22 LEU A 113 13.521 -30.866 -10.417 1.00 4.45 H new ATOM 0 HD23 LEU A 113 15.051 -29.981 -10.628 1.00 4.45 H new ATOM 1801 N ALA A 114 13.634 -28.058 -5.362 1.00 72.03 N ATOM 1802 CA ALA A 114 13.191 -26.766 -4.852 1.00 71.50 C ATOM 1803 C ALA A 114 13.810 -26.473 -3.490 1.00 2.22 C ATOM 1804 O ALA A 114 14.284 -25.365 -3.238 1.00 15.33 O ATOM 1805 CB ALA A 114 11.673 -26.727 -4.763 1.00 55.43 C ATOM 0 H ALA A 114 13.100 -28.854 -5.015 1.00 72.03 H new ATOM 0 HA ALA A 114 13.523 -25.995 -5.547 1.00 71.50 H new ATOM 0 HB1 ALA A 114 11.356 -25.757 -4.381 1.00 55.43 H new ATOM 0 HB2 ALA A 114 11.246 -26.884 -5.754 1.00 55.43 H new ATOM 0 HB3 ALA A 114 11.328 -27.512 -4.091 1.00 55.43 H new ATOM 1811 N VAL A 115 13.803 -27.472 -2.614 1.00 30.44 N ATOM 1812 CA VAL A 115 14.364 -27.321 -1.277 1.00 24.24 C ATOM 1813 C VAL A 115 15.819 -26.869 -1.339 1.00 50.23 C ATOM 1814 O VAL A 115 16.333 -26.265 -0.398 1.00 1.23 O ATOM 1815 CB VAL A 115 14.281 -28.637 -0.481 1.00 25.42 C ATOM 1816 CG1 VAL A 115 14.730 -28.422 0.957 1.00 52.44 C ATOM 1817 CG2 VAL A 115 12.869 -29.200 -0.529 1.00 21.33 C ATOM 0 H VAL A 115 13.415 -28.395 -2.806 1.00 30.44 H new ATOM 0 HA VAL A 115 13.771 -26.560 -0.770 1.00 24.24 H new ATOM 0 HB VAL A 115 14.953 -29.362 -0.941 1.00 25.42 H new ATOM 0 HG11 VAL A 115 14.664 -29.363 1.503 1.00 52.44 H new ATOM 0 HG12 VAL A 115 15.761 -28.068 0.967 1.00 52.44 H new ATOM 0 HG13 VAL A 115 14.087 -27.681 1.432 1.00 52.44 H new ATOM 0 HG21 VAL A 115 12.829 -30.130 0.038 1.00 21.33 H new ATOM 0 HG22 VAL A 115 12.175 -28.480 -0.095 1.00 21.33 H new ATOM 0 HG23 VAL A 115 12.590 -29.395 -1.565 1.00 21.33 H new ATOM 1827 N ASP A 116 16.477 -27.165 -2.455 1.00 0.43 N ATOM 1828 CA ASP A 116 17.873 -26.787 -2.642 1.00 1.12 C ATOM 1829 C ASP A 116 17.981 -25.408 -3.286 1.00 24.21 C ATOM 1830 O ASP A 116 19.012 -24.744 -3.184 1.00 2.13 O ATOM 1831 CB ASP A 116 18.593 -27.824 -3.504 1.00 61.55 C ATOM 1832 CG ASP A 116 18.841 -29.123 -2.762 1.00 42.11 C ATOM 1833 OD1 ASP A 116 19.726 -29.143 -1.881 1.00 31.04 O ATOM 1834 OD2 ASP A 116 18.150 -30.119 -3.062 1.00 42.41 O ATOM 0 H ASP A 116 16.066 -27.665 -3.243 1.00 0.43 H new ATOM 0 HA ASP A 116 18.348 -26.748 -1.662 1.00 1.12 H new ATOM 0 HB2 ASP A 116 18.000 -28.026 -4.396 1.00 61.55 H new ATOM 0 HB3 ASP A 116 19.545 -27.414 -3.841 1.00 61.55 H new ATOM 1839 N ALA A 117 16.911 -24.985 -3.950 1.00 72.31 N ATOM 1840 CA ALA A 117 16.885 -23.686 -4.610 1.00 3.21 C ATOM 1841 C ALA A 117 16.572 -22.572 -3.617 1.00 2.22 C ATOM 1842 O ALA A 117 16.914 -21.411 -3.842 1.00 51.40 O ATOM 1843 CB ALA A 117 15.868 -23.688 -5.741 1.00 71.33 C ATOM 0 H ALA A 117 16.050 -25.524 -4.045 1.00 72.31 H new ATOM 0 HA ALA A 117 17.875 -23.499 -5.027 1.00 3.21 H new ATOM 0 HB1 ALA A 117 15.860 -22.711 -6.225 1.00 71.33 H new ATOM 0 HB2 ALA A 117 16.137 -24.452 -6.471 1.00 71.33 H new ATOM 0 HB3 ALA A 117 14.878 -23.902 -5.339 1.00 71.33 H new ATOM 1849 N LYS A 118 15.919 -22.932 -2.517 1.00 65.30 N ATOM 1850 CA LYS A 118 15.560 -21.964 -1.488 1.00 40.20 C ATOM 1851 C LYS A 118 16.802 -21.449 -0.768 1.00 2.30 C ATOM 1852 O LYS A 118 17.057 -20.246 -0.733 1.00 55.43 O ATOM 1853 CB LYS A 118 14.597 -22.594 -0.479 1.00 64.41 C ATOM 1854 CG LYS A 118 13.621 -21.604 0.131 1.00 52.22 C ATOM 1855 CD LYS A 118 12.582 -21.150 -0.881 1.00 33.42 C ATOM 1856 CE LYS A 118 11.869 -19.888 -0.420 1.00 34.52 C ATOM 1857 NZ LYS A 118 10.716 -20.197 0.471 1.00 0.23 N ATOM 0 H LYS A 118 15.627 -23.888 -2.315 1.00 65.30 H new ATOM 0 HA LYS A 118 15.068 -21.122 -1.974 1.00 40.20 H new ATOM 0 HB2 LYS A 118 14.036 -23.388 -0.972 1.00 64.41 H new ATOM 0 HB3 LYS A 118 15.175 -23.061 0.319 1.00 64.41 H new ATOM 0 HG2 LYS A 118 13.122 -22.062 0.985 1.00 52.22 H new ATOM 0 HG3 LYS A 118 14.166 -20.739 0.507 1.00 52.22 H new ATOM 0 HD2 LYS A 118 13.064 -20.967 -1.841 1.00 33.42 H new ATOM 0 HD3 LYS A 118 11.853 -21.945 -1.037 1.00 33.42 H new ATOM 0 HE2 LYS A 118 12.573 -19.245 0.107 1.00 34.52 H new ATOM 0 HE3 LYS A 118 11.518 -19.331 -1.289 1.00 34.52 H new ATOM 0 HZ1 LYS A 118 10.256 -19.311 0.764 1.00 0.23 H new ATOM 0 HZ2 LYS A 118 10.031 -20.790 -0.040 1.00 0.23 H new ATOM 0 HZ3 LYS A 118 11.054 -20.706 1.313 1.00 0.23 H new ATOM 1871 N ASN A 119 17.573 -22.368 -0.196 1.00 12.04 N ATOM 1872 CA ASN A 119 18.789 -22.006 0.523 1.00 42.02 C ATOM 1873 C ASN A 119 19.714 -21.171 -0.359 1.00 35.35 C ATOM 1874 O ASN A 119 20.504 -20.368 0.138 1.00 41.31 O ATOM 1875 CB ASN A 119 19.519 -23.264 0.999 1.00 53.21 C ATOM 1876 CG ASN A 119 18.575 -24.286 1.603 1.00 0.31 C ATOM 1877 OD1 ASN A 119 17.746 -23.956 2.452 1.00 61.15 O ATOM 1878 ND2 ASN A 119 18.698 -25.534 1.168 1.00 74.25 N ATOM 0 H ASN A 119 17.377 -23.369 -0.216 1.00 12.04 H new ATOM 0 HA ASN A 119 18.505 -21.409 1.390 1.00 42.02 H new ATOM 0 HB2 ASN A 119 20.048 -23.714 0.159 1.00 53.21 H new ATOM 0 HB3 ASN A 119 20.271 -22.987 1.738 1.00 53.21 H new ATOM 0 HD21 ASN A 119 18.091 -26.265 1.539 1.00 74.25 H new ATOM 0 HD22 ASN A 119 19.399 -25.762 0.463 1.00 74.25 H new ATOM 1885 N LEU A 120 19.608 -21.367 -1.668 1.00 44.33 N ATOM 1886 CA LEU A 120 20.434 -20.632 -2.620 1.00 41.22 C ATOM 1887 C LEU A 120 19.887 -19.226 -2.844 1.00 54.21 C ATOM 1888 O LEU A 120 20.647 -18.267 -2.986 1.00 31.14 O ATOM 1889 CB LEU A 120 20.503 -21.382 -3.951 1.00 64.43 C ATOM 1890 CG LEU A 120 21.527 -20.863 -4.962 1.00 74.40 C ATOM 1891 CD1 LEU A 120 21.015 -19.602 -5.640 1.00 0.45 C ATOM 1892 CD2 LEU A 120 22.863 -20.602 -4.282 1.00 54.40 C ATOM 0 H LEU A 120 18.959 -22.028 -2.095 1.00 44.33 H new ATOM 0 HA LEU A 120 21.438 -20.549 -2.204 1.00 41.22 H new ATOM 0 HB2 LEU A 120 20.725 -22.429 -3.744 1.00 64.43 H new ATOM 0 HB3 LEU A 120 19.517 -21.351 -4.414 1.00 64.43 H new ATOM 0 HG LEU A 120 21.675 -21.626 -5.726 1.00 74.40 H new ATOM 0 HD11 LEU A 120 21.756 -19.247 -6.356 1.00 0.45 H new ATOM 0 HD12 LEU A 120 20.083 -19.822 -6.161 1.00 0.45 H new ATOM 0 HD13 LEU A 120 20.838 -18.832 -4.889 1.00 0.45 H new ATOM 0 HD21 LEU A 120 23.579 -20.233 -5.016 1.00 54.40 H new ATOM 0 HD22 LEU A 120 22.732 -19.857 -3.497 1.00 54.40 H new ATOM 0 HD23 LEU A 120 23.236 -21.528 -3.845 1.00 54.40 H new ATOM 1904 N LEU A 121 18.564 -19.110 -2.873 1.00 54.50 N ATOM 1905 CA LEU A 121 17.913 -17.820 -3.077 1.00 42.32 C ATOM 1906 C LEU A 121 18.432 -16.785 -2.084 1.00 34.14 C ATOM 1907 O LEU A 121 18.449 -15.588 -2.371 1.00 20.11 O ATOM 1908 CB LEU A 121 16.397 -17.963 -2.937 1.00 33.20 C ATOM 1909 CG LEU A 121 15.594 -16.662 -2.967 1.00 72.34 C ATOM 1910 CD1 LEU A 121 15.961 -15.837 -4.191 1.00 5.45 C ATOM 1911 CD2 LEU A 121 14.101 -16.956 -2.949 1.00 71.44 C ATOM 0 H LEU A 121 17.921 -19.893 -2.758 1.00 54.50 H new ATOM 0 HA LEU A 121 18.147 -17.478 -4.085 1.00 42.32 H new ATOM 0 HB2 LEU A 121 16.037 -18.607 -3.740 1.00 33.20 H new ATOM 0 HB3 LEU A 121 16.186 -18.475 -1.998 1.00 33.20 H new ATOM 0 HG LEU A 121 15.841 -16.084 -2.076 1.00 72.34 H new ATOM 0 HD11 LEU A 121 15.380 -14.915 -4.196 1.00 5.45 H new ATOM 0 HD12 LEU A 121 17.024 -15.596 -4.162 1.00 5.45 H new ATOM 0 HD13 LEU A 121 15.743 -16.408 -5.093 1.00 5.45 H new ATOM 0 HD21 LEU A 121 13.545 -16.019 -2.971 1.00 71.44 H new ATOM 0 HD22 LEU A 121 13.837 -17.554 -3.821 1.00 71.44 H new ATOM 0 HD23 LEU A 121 13.849 -17.506 -2.042 1.00 71.44 H new ATOM 1923 N ASP A 122 18.855 -17.255 -0.915 1.00 51.23 N ATOM 1924 CA ASP A 122 19.377 -16.371 0.120 1.00 3.22 C ATOM 1925 C ASP A 122 20.847 -16.047 -0.132 1.00 33.51 C ATOM 1926 O ASP A 122 21.319 -14.960 0.198 1.00 34.15 O ATOM 1927 CB ASP A 122 19.213 -17.012 1.499 1.00 73.20 C ATOM 1928 CG ASP A 122 19.367 -16.010 2.626 1.00 51.21 C ATOM 1929 OD1 ASP A 122 18.376 -15.322 2.947 1.00 51.40 O ATOM 1930 OD2 ASP A 122 20.479 -15.913 3.186 1.00 1.02 O ATOM 0 H ASP A 122 18.846 -18.243 -0.661 1.00 51.23 H new ATOM 0 HA ASP A 122 18.808 -15.442 0.090 1.00 3.22 H new ATOM 0 HB2 ASP A 122 18.231 -17.480 1.564 1.00 73.20 H new ATOM 0 HB3 ASP A 122 19.952 -17.805 1.618 1.00 73.20 H new ATOM 1935 N ALA A 123 21.565 -17.000 -0.718 1.00 53.22 N ATOM 1936 CA ALA A 123 22.980 -16.816 -1.015 1.00 72.03 C ATOM 1937 C ALA A 123 23.183 -15.736 -2.072 1.00 41.14 C ATOM 1938 O ALA A 123 23.930 -14.780 -1.862 1.00 65.45 O ATOM 1939 CB ALA A 123 23.598 -18.129 -1.474 1.00 13.34 C ATOM 0 H ALA A 123 21.190 -17.907 -0.996 1.00 53.22 H new ATOM 0 HA ALA A 123 23.479 -16.492 -0.101 1.00 72.03 H new ATOM 0 HB1 ALA A 123 24.655 -17.977 -1.692 1.00 13.34 H new ATOM 0 HB2 ALA A 123 23.494 -18.875 -0.686 1.00 13.34 H new ATOM 0 HB3 ALA A 123 23.088 -18.477 -2.373 1.00 13.34 H new ATOM 1945 N VAL A 124 22.514 -15.894 -3.210 1.00 33.11 N ATOM 1946 CA VAL A 124 22.621 -14.932 -4.300 1.00 53.11 C ATOM 1947 C VAL A 124 22.146 -13.551 -3.863 1.00 5.35 C ATOM 1948 O VAL A 124 22.680 -12.532 -4.302 1.00 51.10 O ATOM 1949 CB VAL A 124 21.802 -15.379 -5.526 1.00 22.22 C ATOM 1950 CG1 VAL A 124 22.430 -16.607 -6.168 1.00 50.33 C ATOM 1951 CG2 VAL A 124 20.359 -15.653 -5.131 1.00 31.31 C ATOM 0 H VAL A 124 21.892 -16.680 -3.401 1.00 33.11 H new ATOM 0 HA VAL A 124 23.675 -14.881 -4.574 1.00 53.11 H new ATOM 0 HB VAL A 124 21.807 -14.572 -6.259 1.00 22.22 H new ATOM 0 HG11 VAL A 124 21.838 -16.909 -7.032 1.00 50.33 H new ATOM 0 HG12 VAL A 124 23.445 -16.372 -6.488 1.00 50.33 H new ATOM 0 HG13 VAL A 124 22.457 -17.422 -5.445 1.00 50.33 H new ATOM 0 HG21 VAL A 124 19.795 -15.968 -6.009 1.00 31.31 H new ATOM 0 HG22 VAL A 124 20.331 -16.442 -4.380 1.00 31.31 H new ATOM 0 HG23 VAL A 124 19.916 -14.746 -4.721 1.00 31.31 H new ATOM 1961 N ASP A 125 21.142 -13.524 -2.994 1.00 74.01 N ATOM 1962 CA ASP A 125 20.596 -12.267 -2.495 1.00 34.31 C ATOM 1963 C ASP A 125 21.671 -11.451 -1.785 1.00 23.53 C ATOM 1964 O ASP A 125 21.741 -10.232 -1.938 1.00 34.40 O ATOM 1965 CB ASP A 125 19.430 -12.536 -1.542 1.00 55.23 C ATOM 1966 CG ASP A 125 18.586 -11.300 -1.297 1.00 20.21 C ATOM 1967 OD1 ASP A 125 19.153 -10.268 -0.883 1.00 43.33 O ATOM 1968 OD2 ASP A 125 17.358 -11.366 -1.518 1.00 24.04 O ATOM 0 H ASP A 125 20.689 -14.358 -2.620 1.00 74.01 H new ATOM 0 HA ASP A 125 20.234 -11.693 -3.348 1.00 34.31 H new ATOM 0 HB2 ASP A 125 18.802 -13.325 -1.955 1.00 55.23 H new ATOM 0 HB3 ASP A 125 19.818 -12.902 -0.591 1.00 55.23 H new ATOM 1973 N GLN A 126 22.507 -12.133 -1.007 1.00 52.24 N ATOM 1974 CA GLN A 126 23.578 -11.470 -0.272 1.00 73.14 C ATOM 1975 C GLN A 126 24.806 -11.277 -1.156 1.00 30.43 C ATOM 1976 O GLN A 126 25.441 -10.223 -1.131 1.00 73.44 O ATOM 1977 CB GLN A 126 23.950 -12.282 0.970 1.00 44.44 C ATOM 1978 CG GLN A 126 25.221 -11.800 1.652 1.00 34.51 C ATOM 1979 CD GLN A 126 25.060 -10.434 2.288 1.00 14.05 C ATOM 1980 OE1 GLN A 126 24.859 -10.319 3.498 1.00 73.41 O ATOM 1981 NE2 GLN A 126 25.147 -9.388 1.475 1.00 2.13 N ATOM 0 H GLN A 126 22.463 -13.143 -0.870 1.00 52.24 H new ATOM 0 HA GLN A 126 23.219 -10.489 0.038 1.00 73.14 H new ATOM 0 HB2 GLN A 126 23.126 -12.239 1.682 1.00 44.44 H new ATOM 0 HB3 GLN A 126 24.073 -13.328 0.687 1.00 44.44 H new ATOM 0 HG2 GLN A 126 25.514 -12.520 2.416 1.00 34.51 H new ATOM 0 HG3 GLN A 126 26.029 -11.763 0.922 1.00 34.51 H new ATOM 0 HE21 GLN A 126 25.314 -9.529 0.479 1.00 2.13 H new ATOM 0 HE22 GLN A 126 25.046 -8.443 1.847 1.00 2.13 H new ATOM 1990 N ALA A 127 25.135 -12.303 -1.935 1.00 3.44 N ATOM 1991 CA ALA A 127 26.287 -12.245 -2.827 1.00 35.21 C ATOM 1992 C ALA A 127 26.172 -11.074 -3.796 1.00 53.34 C ATOM 1993 O ALA A 127 27.149 -10.372 -4.058 1.00 23.33 O ATOM 1994 CB ALA A 127 26.428 -13.553 -3.591 1.00 32.30 C ATOM 0 H ALA A 127 24.621 -13.183 -1.966 1.00 3.44 H new ATOM 0 HA ALA A 127 27.179 -12.093 -2.220 1.00 35.21 H new ATOM 0 HB1 ALA A 127 27.292 -13.496 -4.253 1.00 32.30 H new ATOM 0 HB2 ALA A 127 26.564 -14.373 -2.886 1.00 32.30 H new ATOM 0 HB3 ALA A 127 25.529 -13.728 -4.182 1.00 32.30 H new ATOM 2000 N LYS A 128 24.972 -10.867 -4.328 1.00 73.31 N ATOM 2001 CA LYS A 128 24.728 -9.780 -5.269 1.00 31.31 C ATOM 2002 C LYS A 128 25.070 -8.432 -4.643 1.00 65.13 C ATOM 2003 O LYS A 128 25.319 -7.454 -5.349 1.00 22.33 O ATOM 2004 CB LYS A 128 23.266 -9.788 -5.721 1.00 52.00 C ATOM 2005 CG LYS A 128 23.037 -10.530 -7.027 1.00 12.35 C ATOM 2006 CD LYS A 128 22.015 -9.820 -7.899 1.00 62.12 C ATOM 2007 CE LYS A 128 21.835 -10.528 -9.234 1.00 14.55 C ATOM 2008 NZ LYS A 128 21.649 -9.562 -10.352 1.00 71.53 N ATOM 0 H LYS A 128 24.152 -11.439 -4.123 1.00 73.31 H new ATOM 0 HA LYS A 128 25.371 -9.932 -6.136 1.00 31.31 H new ATOM 0 HB2 LYS A 128 22.656 -10.245 -4.942 1.00 52.00 H new ATOM 0 HB3 LYS A 128 22.923 -8.759 -5.832 1.00 52.00 H new ATOM 0 HG2 LYS A 128 23.980 -10.617 -7.567 1.00 12.35 H new ATOM 0 HG3 LYS A 128 22.695 -11.543 -6.816 1.00 12.35 H new ATOM 0 HD2 LYS A 128 21.059 -9.775 -7.378 1.00 62.12 H new ATOM 0 HD3 LYS A 128 22.333 -8.792 -8.071 1.00 62.12 H new ATOM 0 HE2 LYS A 128 22.706 -11.153 -9.434 1.00 14.55 H new ATOM 0 HE3 LYS A 128 20.972 -11.192 -9.180 1.00 14.55 H new ATOM 0 HZ1 LYS A 128 21.882 -10.025 -11.253 1.00 71.53 H new ATOM 0 HZ2 LYS A 128 20.660 -9.242 -10.373 1.00 71.53 H new ATOM 0 HZ3 LYS A 128 22.275 -8.743 -10.211 1.00 71.53 H new ATOM 2022 N VAL A 129 25.083 -8.387 -3.315 1.00 21.32 N ATOM 2023 CA VAL A 129 25.398 -7.159 -2.594 1.00 70.52 C ATOM 2024 C VAL A 129 26.902 -7.007 -2.399 1.00 63.12 C ATOM 2025 O VAL A 129 27.443 -5.904 -2.491 1.00 32.11 O ATOM 2026 CB VAL A 129 24.707 -7.123 -1.218 1.00 73.23 C ATOM 2027 CG1 VAL A 129 25.072 -5.850 -0.470 1.00 60.14 C ATOM 2028 CG2 VAL A 129 23.199 -7.244 -1.377 1.00 34.22 C ATOM 0 H VAL A 129 24.879 -9.187 -2.716 1.00 21.32 H new ATOM 0 HA VAL A 129 25.028 -6.332 -3.200 1.00 70.52 H new ATOM 0 HB VAL A 129 25.057 -7.973 -0.632 1.00 73.23 H new ATOM 0 HG11 VAL A 129 24.574 -5.842 0.500 1.00 60.14 H new ATOM 0 HG12 VAL A 129 26.151 -5.810 -0.324 1.00 60.14 H new ATOM 0 HG13 VAL A 129 24.752 -4.984 -1.049 1.00 60.14 H new ATOM 0 HG21 VAL A 129 22.726 -7.217 -0.395 1.00 34.22 H new ATOM 0 HG22 VAL A 129 22.829 -6.415 -1.981 1.00 34.22 H new ATOM 0 HG23 VAL A 129 22.959 -8.187 -1.869 1.00 34.22 H new ATOM 2038 N LEU A 130 27.574 -8.121 -2.130 1.00 60.11 N ATOM 2039 CA LEU A 130 29.018 -8.113 -1.922 1.00 50.44 C ATOM 2040 C LEU A 130 29.757 -7.922 -3.243 1.00 70.31 C ATOM 2041 O LEU A 130 30.821 -7.306 -3.287 1.00 23.20 O ATOM 2042 CB LEU A 130 29.465 -9.416 -1.258 1.00 2.32 C ATOM 2043 CG LEU A 130 28.596 -9.912 -0.102 1.00 20.41 C ATOM 2044 CD1 LEU A 130 29.266 -11.079 0.607 1.00 4.22 C ATOM 2045 CD2 LEU A 130 28.313 -8.782 0.877 1.00 45.01 C ATOM 0 H LEU A 130 27.142 -9.042 -2.051 1.00 60.11 H new ATOM 0 HA LEU A 130 29.261 -7.277 -1.266 1.00 50.44 H new ATOM 0 HB2 LEU A 130 29.501 -10.195 -2.020 1.00 2.32 H new ATOM 0 HB3 LEU A 130 30.482 -9.283 -0.890 1.00 2.32 H new ATOM 0 HG LEU A 130 27.646 -10.258 -0.510 1.00 20.41 H new ATOM 0 HD11 LEU A 130 28.633 -11.419 1.427 1.00 4.22 H new ATOM 0 HD12 LEU A 130 29.415 -11.896 -0.099 1.00 4.22 H new ATOM 0 HD13 LEU A 130 30.231 -10.760 1.002 1.00 4.22 H new ATOM 0 HD21 LEU A 130 27.693 -9.154 1.693 1.00 45.01 H new ATOM 0 HD22 LEU A 130 29.253 -8.405 1.279 1.00 45.01 H new ATOM 0 HD23 LEU A 130 27.789 -7.977 0.362 1.00 45.01 H new ATOM 2057 N ALA A 131 29.184 -8.454 -4.318 1.00 12.11 N ATOM 2058 CA ALA A 131 29.786 -8.339 -5.640 1.00 52.14 C ATOM 2059 C ALA A 131 29.932 -6.878 -6.052 1.00 2.22 C ATOM 2060 O ALA A 131 30.790 -6.535 -6.864 1.00 24.13 O ATOM 2061 CB ALA A 131 28.956 -9.097 -6.666 1.00 31.33 C ATOM 0 H ALA A 131 28.304 -8.969 -4.299 1.00 12.11 H new ATOM 0 HA ALA A 131 30.782 -8.779 -5.597 1.00 52.14 H new ATOM 0 HB1 ALA A 131 29.418 -9.002 -7.649 1.00 31.33 H new ATOM 0 HB2 ALA A 131 28.907 -10.150 -6.388 1.00 31.33 H new ATOM 0 HB3 ALA A 131 27.948 -8.682 -6.697 1.00 31.33 H new