USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1005 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 65 LYS NZ :NH3+ -147:sc= 1.23 (180deg=-0.551) USER MOD Set 1.2: B 61 THR OG1 : rot -79:sc= -1.36! USER MOD Set 2.1: A 61 THR OG1 : rot -91:sc= 2.19 USER MOD Set 2.2: B 65 LYS NZ :NH3+ -165:sc= 2.42 (180deg=1.02) USER MOD Single : A 8 SER OG : rot 36:sc= 0.0447 USER MOD Single : A 9 ASN : amide:sc= -1.45! K(o=-1.4!,f=-0.046) USER MOD Single : A 14 LYS NZ :NH3+ 170:sc= 1.25 (180deg=0.985) USER MOD Single : A 17 GLN : amide:sc= 0.484 K(o=0.48,f=-0.083) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.367 USER MOD Single : A 35 MET CE :methyl 166:sc= -0.0699 (180deg=-0.62) USER MOD Single : A 36 CYS SG : rot 78:sc= 0.92 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 42 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A 43 ASN : amide:sc= -0.0236 X(o=-0.024,f=0) USER MOD Single : A 47 GLN : amide:sc= 0.0398 X(o=0.04,f=-0.31) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0874 K(o=-0.087,f=-1.6!) USER MOD Single : A 62 LYS NZ :NH3+ 164:sc= -0.0153 (180deg=-0.224) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 67 SER OG : rot -83:sc= -0.0458 USER MOD Single : B 8 SER OG : rot -16:sc= 0.397 USER MOD Single : B 9 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.15) USER MOD Single : B 14 LYS NZ :NH3+ -138:sc= 1.28 (180deg=1.1) USER MOD Single : B 17 GLN : amide:sc= 0.556 K(o=0.56,f=-0.016) USER MOD Single : B 25 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.1) USER MOD Single : B 29 THR OG1 : rot 180:sc= 0.0112 USER MOD Single : B 35 MET CE :methyl 152:sc= -0.119 (180deg=-1.19) USER MOD Single : B 36 CYS SG : rot -81:sc= 0.284 USER MOD Single : B 39 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : B 42 THR OG1 : rot 130:sc= 0.938 USER MOD Single : B 43 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : B 47 GLN : amide:sc= 0.532 K(o=0.53,f=-0.46) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 LYS NZ :NH3+ 162:sc= -1 (180deg=-1.72!) USER MOD Single : B 59 ASN : amide:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 67 SER OG : rot 81:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 123 N SER A 8 -16.391 -9.826 -0.493 1.00 0.00 N ATOM 124 CA SER A 8 -17.429 -8.812 -0.501 1.00 0.00 C ATOM 125 C SER A 8 -16.805 -7.422 -0.462 1.00 0.00 C ATOM 126 O SER A 8 -15.876 -7.169 0.308 1.00 0.00 O ATOM 127 CB SER A 8 -18.372 -9.015 0.688 1.00 0.00 C ATOM 128 OG SER A 8 -19.030 -10.269 0.600 1.00 0.00 O ATOM 0 HA SER A 8 -18.008 -8.904 -1.420 1.00 0.00 H new ATOM 0 HB2 SER A 8 -17.808 -8.960 1.619 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.110 -8.213 0.714 1.00 0.00 H new ATOM 0 HG SER A 8 -18.420 -10.932 0.215 1.00 0.00 H new ATOM 134 N ASN A 9 -17.319 -6.526 -1.300 1.00 0.00 N ATOM 135 CA ASN A 9 -16.766 -5.178 -1.424 1.00 0.00 C ATOM 136 C ASN A 9 -16.768 -4.448 -0.090 1.00 0.00 C ATOM 137 O ASN A 9 -15.792 -3.792 0.257 1.00 0.00 O ATOM 138 CB ASN A 9 -17.545 -4.361 -2.457 1.00 0.00 C ATOM 139 CG ASN A 9 -17.278 -4.791 -3.889 1.00 0.00 C ATOM 140 OD1 ASN A 9 -18.153 -4.699 -4.748 1.00 0.00 O ATOM 141 ND2 ASN A 9 -16.070 -5.258 -4.160 1.00 0.00 N ATOM 0 H ASN A 9 -18.120 -6.708 -1.905 1.00 0.00 H new ATOM 0 HA ASN A 9 -15.734 -5.285 -1.757 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -18.612 -4.450 -2.251 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -17.286 -3.308 -2.347 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.839 -5.556 -5.108 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -15.369 -5.320 -3.421 1.00 0.00 H new ATOM 148 N GLU A 10 -17.860 -4.577 0.656 1.00 0.00 N ATOM 149 CA GLU A 10 -18.000 -3.912 1.950 1.00 0.00 C ATOM 150 C GLU A 10 -16.882 -4.320 2.901 1.00 0.00 C ATOM 151 O GLU A 10 -16.344 -3.486 3.630 1.00 0.00 O ATOM 152 CB GLU A 10 -19.359 -4.227 2.589 1.00 0.00 C ATOM 153 CG GLU A 10 -20.559 -3.730 1.794 1.00 0.00 C ATOM 154 CD GLU A 10 -20.830 -4.550 0.551 1.00 0.00 C ATOM 155 OE1 GLU A 10 -20.277 -4.224 -0.515 1.00 0.00 O ATOM 156 OE2 GLU A 10 -21.587 -5.540 0.634 1.00 0.00 O ATOM 0 H GLU A 10 -18.667 -5.139 0.386 1.00 0.00 H new ATOM 0 HA GLU A 10 -17.935 -2.839 1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -19.445 -5.306 2.717 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -19.390 -3.785 3.585 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -21.442 -3.747 2.433 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -20.392 -2.692 1.508 1.00 0.00 H new ATOM 163 N ARG A 11 -16.531 -5.601 2.883 1.00 0.00 N ATOM 164 CA ARG A 11 -15.457 -6.107 3.727 1.00 0.00 C ATOM 165 C ARG A 11 -14.130 -5.487 3.320 1.00 0.00 C ATOM 166 O ARG A 11 -13.382 -4.995 4.164 1.00 0.00 O ATOM 167 CB ARG A 11 -15.373 -7.637 3.654 1.00 0.00 C ATOM 168 CG ARG A 11 -14.201 -8.213 4.435 1.00 0.00 C ATOM 169 CD ARG A 11 -14.274 -9.727 4.537 1.00 0.00 C ATOM 170 NE ARG A 11 -13.099 -10.282 5.207 1.00 0.00 N ATOM 171 CZ ARG A 11 -13.028 -10.521 6.516 1.00 0.00 C ATOM 172 NH1 ARG A 11 -14.072 -10.305 7.303 1.00 0.00 N ATOM 173 NH2 ARG A 11 -11.913 -11.003 7.042 1.00 0.00 N ATOM 0 H ARG A 11 -16.974 -6.306 2.294 1.00 0.00 H new ATOM 0 HA ARG A 11 -15.676 -5.828 4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -16.300 -8.064 4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -15.289 -7.940 2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.267 -7.927 3.951 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.186 -7.783 5.436 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -15.173 -10.012 5.084 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.359 -10.155 3.538 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.282 -10.500 4.636 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.944 -9.952 6.908 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.004 -10.492 8.303 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.108 -11.192 6.445 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.859 -11.186 8.044 1.00 0.00 H new ATOM 187 N VAL A 12 -13.854 -5.496 2.020 1.00 0.00 N ATOM 188 CA VAL A 12 -12.629 -4.904 1.494 1.00 0.00 C ATOM 189 C VAL A 12 -12.578 -3.420 1.830 1.00 0.00 C ATOM 190 O VAL A 12 -11.554 -2.904 2.281 1.00 0.00 O ATOM 191 CB VAL A 12 -12.528 -5.076 -0.036 1.00 0.00 C ATOM 192 CG1 VAL A 12 -11.193 -4.560 -0.553 1.00 0.00 C ATOM 193 CG2 VAL A 12 -12.730 -6.529 -0.427 1.00 0.00 C ATOM 0 H VAL A 12 -14.462 -5.907 1.311 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.790 -5.422 1.959 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.320 -4.485 -0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.146 -4.692 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.094 -3.502 -0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.382 -5.116 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.655 -6.628 -1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.965 -7.143 0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.716 -6.860 -0.100 1.00 0.00 H new ATOM 203 N GLU A 13 -13.704 -2.753 1.614 1.00 0.00 N ATOM 204 CA GLU A 13 -13.856 -1.336 1.918 1.00 0.00 C ATOM 205 C GLU A 13 -13.550 -1.063 3.388 1.00 0.00 C ATOM 206 O GLU A 13 -12.833 -0.119 3.719 1.00 0.00 O ATOM 207 CB GLU A 13 -15.282 -0.900 1.582 1.00 0.00 C ATOM 208 CG GLU A 13 -15.577 0.558 1.865 1.00 0.00 C ATOM 209 CD GLU A 13 -17.014 0.911 1.559 1.00 0.00 C ATOM 210 OE1 GLU A 13 -17.887 0.673 2.422 1.00 0.00 O ATOM 211 OE2 GLU A 13 -17.284 1.422 0.451 1.00 0.00 O ATOM 0 H GLU A 13 -14.542 -3.182 1.221 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.149 -0.764 1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.469 -1.097 0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.980 -1.515 2.150 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.365 0.775 2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.914 1.185 1.269 1.00 0.00 H new ATOM 218 N LYS A 14 -14.089 -1.907 4.264 1.00 0.00 N ATOM 219 CA LYS A 14 -13.843 -1.778 5.692 1.00 0.00 C ATOM 220 C LYS A 14 -12.364 -1.959 6.012 1.00 0.00 C ATOM 221 O LYS A 14 -11.808 -1.208 6.801 1.00 0.00 O ATOM 222 CB LYS A 14 -14.681 -2.778 6.493 1.00 0.00 C ATOM 223 CG LYS A 14 -14.212 -2.919 7.932 1.00 0.00 C ATOM 224 CD LYS A 14 -15.141 -3.783 8.760 1.00 0.00 C ATOM 225 CE LYS A 14 -14.488 -4.172 10.077 1.00 0.00 C ATOM 226 NZ LYS A 14 -13.924 -2.996 10.801 1.00 0.00 N ATOM 0 H LYS A 14 -14.697 -2.685 4.008 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.140 -0.770 5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.724 -2.460 6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.641 -3.752 6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.211 -3.351 7.944 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.138 -1.931 8.386 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.069 -3.245 8.954 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.405 -4.681 8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.223 -4.668 10.711 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.693 -4.893 9.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.643 -3.281 11.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.092 -2.639 10.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.643 -2.247 10.859 1.00 0.00 H new ATOM 240 N ILE A 15 -11.731 -2.951 5.397 1.00 0.00 N ATOM 241 CA ILE A 15 -10.308 -3.194 5.621 1.00 0.00 C ATOM 242 C ILE A 15 -9.498 -1.951 5.262 1.00 0.00 C ATOM 243 O ILE A 15 -8.591 -1.556 5.994 1.00 0.00 O ATOM 244 CB ILE A 15 -9.798 -4.408 4.814 1.00 0.00 C ATOM 245 CG1 ILE A 15 -10.578 -5.669 5.204 1.00 0.00 C ATOM 246 CG2 ILE A 15 -8.307 -4.617 5.049 1.00 0.00 C ATOM 247 CD1 ILE A 15 -10.227 -6.891 4.381 1.00 0.00 C ATOM 0 H ILE A 15 -12.175 -3.597 4.744 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.177 -3.420 6.679 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.957 -4.210 3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -10.393 -5.887 6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.645 -5.470 5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.965 -5.477 4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.761 -3.728 4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.127 -4.796 6.109 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.821 -7.740 4.719 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -10.439 -6.695 3.330 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.168 -7.119 4.501 1.00 0.00 H new ATOM 259 N ILE A 16 -9.855 -1.326 4.147 1.00 0.00 N ATOM 260 CA ILE A 16 -9.225 -0.079 3.734 1.00 0.00 C ATOM 261 C ILE A 16 -9.430 0.997 4.800 1.00 0.00 C ATOM 262 O ILE A 16 -8.494 1.697 5.185 1.00 0.00 O ATOM 263 CB ILE A 16 -9.809 0.426 2.396 1.00 0.00 C ATOM 264 CG1 ILE A 16 -9.676 -0.650 1.316 1.00 0.00 C ATOM 265 CG2 ILE A 16 -9.118 1.710 1.955 1.00 0.00 C ATOM 266 CD1 ILE A 16 -10.414 -0.319 0.036 1.00 0.00 C ATOM 0 H ILE A 16 -10.579 -1.663 3.512 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.161 -0.276 3.605 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.867 0.642 2.545 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.620 -0.797 1.089 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.052 -1.595 1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.545 2.047 1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -9.262 2.479 2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.052 1.523 1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.275 -1.126 -0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.477 -0.201 0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.022 0.609 -0.380 1.00 0.00 H new ATOM 278 N GLN A 17 -10.664 1.104 5.280 1.00 0.00 N ATOM 279 CA GLN A 17 -11.017 2.094 6.288 1.00 0.00 C ATOM 280 C GLN A 17 -10.271 1.831 7.596 1.00 0.00 C ATOM 281 O GLN A 17 -9.798 2.766 8.236 1.00 0.00 O ATOM 282 CB GLN A 17 -12.534 2.096 6.514 1.00 0.00 C ATOM 283 CG GLN A 17 -13.019 3.100 7.552 1.00 0.00 C ATOM 284 CD GLN A 17 -12.595 4.528 7.261 1.00 0.00 C ATOM 285 OE1 GLN A 17 -13.280 5.267 6.551 1.00 0.00 O ATOM 286 NE2 GLN A 17 -11.467 4.930 7.822 1.00 0.00 N ATOM 0 H GLN A 17 -11.441 0.512 4.984 1.00 0.00 H new ATOM 0 HA GLN A 17 -10.718 3.078 5.928 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -13.029 2.306 5.566 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.844 1.097 6.821 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -14.107 3.057 7.606 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.639 2.810 8.531 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.929 4.287 8.403 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.135 5.883 7.674 1.00 0.00 H new ATOM 295 N ASP A 18 -10.155 0.565 7.983 1.00 0.00 N ATOM 296 CA ASP A 18 -9.409 0.191 9.187 1.00 0.00 C ATOM 297 C ASP A 18 -7.950 0.613 9.071 1.00 0.00 C ATOM 298 O ASP A 18 -7.355 1.113 10.030 1.00 0.00 O ATOM 299 CB ASP A 18 -9.497 -1.319 9.439 1.00 0.00 C ATOM 300 CG ASP A 18 -10.687 -1.708 10.294 1.00 0.00 C ATOM 301 OD1 ASP A 18 -11.833 -1.654 9.801 1.00 0.00 O ATOM 302 OD2 ASP A 18 -10.484 -2.070 11.472 1.00 0.00 O ATOM 0 H ASP A 18 -10.567 -0.222 7.482 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.859 0.712 10.032 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.558 -1.838 8.483 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.581 -1.655 9.926 1.00 0.00 H new ATOM 307 N LEU A 19 -7.379 0.421 7.887 1.00 0.00 N ATOM 308 CA LEU A 19 -6.016 0.864 7.615 1.00 0.00 C ATOM 309 C LEU A 19 -5.926 2.381 7.730 1.00 0.00 C ATOM 310 O LEU A 19 -4.967 2.921 8.286 1.00 0.00 O ATOM 311 CB LEU A 19 -5.576 0.421 6.218 1.00 0.00 C ATOM 312 CG LEU A 19 -5.574 -1.091 5.983 1.00 0.00 C ATOM 313 CD1 LEU A 19 -5.319 -1.398 4.516 1.00 0.00 C ATOM 314 CD2 LEU A 19 -4.532 -1.767 6.862 1.00 0.00 C ATOM 0 H LEU A 19 -7.838 -0.038 7.100 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.352 0.410 8.350 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.234 0.886 5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.572 0.802 6.033 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.554 -1.485 6.252 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.320 -2.477 4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.102 -0.945 3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.351 -0.992 4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.545 -2.842 6.681 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.544 -1.371 6.625 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.759 -1.573 7.910 1.00 0.00 H new ATOM 326 N LEU A 20 -6.942 3.063 7.213 1.00 0.00 N ATOM 327 CA LEU A 20 -7.017 4.514 7.305 1.00 0.00 C ATOM 328 C LEU A 20 -7.166 4.950 8.758 1.00 0.00 C ATOM 329 O LEU A 20 -6.623 5.975 9.158 1.00 0.00 O ATOM 330 CB LEU A 20 -8.190 5.048 6.480 1.00 0.00 C ATOM 331 CG LEU A 20 -8.107 4.784 4.976 1.00 0.00 C ATOM 332 CD1 LEU A 20 -9.363 5.278 4.281 1.00 0.00 C ATOM 333 CD2 LEU A 20 -6.871 5.446 4.382 1.00 0.00 C ATOM 0 H LEU A 20 -7.727 2.631 6.725 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.091 4.926 6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.111 4.605 6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.265 6.124 6.639 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.026 3.708 4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.288 5.083 3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.231 4.757 4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.473 6.350 4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.830 5.246 3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.919 6.522 4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.978 5.044 4.860 1.00 0.00 H new ATOM 345 N ASP A 21 -7.898 4.161 9.542 1.00 0.00 N ATOM 346 CA ASP A 21 -8.084 4.441 10.964 1.00 0.00 C ATOM 347 C ASP A 21 -6.739 4.532 11.662 1.00 0.00 C ATOM 348 O ASP A 21 -6.524 5.406 12.499 1.00 0.00 O ATOM 349 CB ASP A 21 -8.943 3.364 11.641 1.00 0.00 C ATOM 350 CG ASP A 21 -10.421 3.499 11.329 1.00 0.00 C ATOM 351 OD1 ASP A 21 -10.970 4.608 11.495 1.00 0.00 O ATOM 352 OD2 ASP A 21 -11.050 2.495 10.936 1.00 0.00 O ATOM 0 H ASP A 21 -8.373 3.320 9.215 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.604 5.396 11.047 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.599 2.380 11.323 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.799 3.418 12.720 1.00 0.00 H new ATOM 357 N VAL A 22 -5.834 3.632 11.298 1.00 0.00 N ATOM 358 CA VAL A 22 -4.477 3.646 11.834 1.00 0.00 C ATOM 359 C VAL A 22 -3.742 4.915 11.410 1.00 0.00 C ATOM 360 O VAL A 22 -3.108 5.585 12.228 1.00 0.00 O ATOM 361 CB VAL A 22 -3.673 2.420 11.357 1.00 0.00 C ATOM 362 CG1 VAL A 22 -2.274 2.421 11.957 1.00 0.00 C ATOM 363 CG2 VAL A 22 -4.406 1.136 11.699 1.00 0.00 C ATOM 0 H VAL A 22 -6.015 2.881 10.632 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.560 3.616 12.920 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.573 2.479 10.273 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.727 1.546 11.605 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.748 3.325 11.651 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.344 2.392 13.044 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.823 0.282 11.355 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.542 1.071 12.779 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.380 1.132 11.210 1.00 0.00 H new ATOM 373 N LEU A 23 -3.855 5.249 10.133 1.00 0.00 N ATOM 374 CA LEU A 23 -3.169 6.411 9.578 1.00 0.00 C ATOM 375 C LEU A 23 -3.704 7.709 10.179 1.00 0.00 C ATOM 376 O LEU A 23 -2.940 8.629 10.463 1.00 0.00 O ATOM 377 CB LEU A 23 -3.314 6.432 8.053 1.00 0.00 C ATOM 378 CG LEU A 23 -2.749 5.206 7.330 1.00 0.00 C ATOM 379 CD1 LEU A 23 -2.965 5.328 5.831 1.00 0.00 C ATOM 380 CD2 LEU A 23 -1.270 5.027 7.642 1.00 0.00 C ATOM 0 H LEU A 23 -4.417 4.731 9.458 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.112 6.333 9.834 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.371 6.525 7.805 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.817 7.322 7.668 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.281 4.324 7.687 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.558 4.449 5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.032 5.402 5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.460 6.221 5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.891 4.150 7.117 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.720 5.910 7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.138 4.892 8.716 1.00 0.00 H new ATOM 392 N VAL A 24 -5.017 7.776 10.376 1.00 0.00 N ATOM 393 CA VAL A 24 -5.650 8.949 10.971 1.00 0.00 C ATOM 394 C VAL A 24 -5.387 9.001 12.479 1.00 0.00 C ATOM 395 O VAL A 24 -5.302 10.079 13.069 1.00 0.00 O ATOM 396 CB VAL A 24 -7.175 8.959 10.704 1.00 0.00 C ATOM 397 CG1 VAL A 24 -7.850 10.124 11.411 1.00 0.00 C ATOM 398 CG2 VAL A 24 -7.454 9.019 9.209 1.00 0.00 C ATOM 0 H VAL A 24 -5.666 7.028 10.131 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.211 9.831 10.504 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.589 8.033 11.104 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.920 10.104 11.205 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.686 10.042 12.485 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.428 11.062 11.050 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.531 9.025 9.040 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -7.016 9.926 8.793 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.015 8.148 8.722 1.00 0.00 H new ATOM 408 N LYS A 25 -5.244 7.828 13.088 1.00 0.00 N ATOM 409 CA LYS A 25 -4.957 7.730 14.517 1.00 0.00 C ATOM 410 C LYS A 25 -3.647 8.439 14.840 1.00 0.00 C ATOM 411 O LYS A 25 -3.551 9.178 15.818 1.00 0.00 O ATOM 412 CB LYS A 25 -4.866 6.262 14.937 1.00 0.00 C ATOM 413 CG LYS A 25 -4.867 6.039 16.443 1.00 0.00 C ATOM 414 CD LYS A 25 -4.526 4.598 16.792 1.00 0.00 C ATOM 415 CE LYS A 25 -5.425 3.609 16.064 1.00 0.00 C ATOM 416 NZ LYS A 25 -5.035 2.201 16.341 1.00 0.00 N ATOM 0 H LYS A 25 -5.322 6.929 12.613 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.766 8.209 15.068 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.704 5.719 14.501 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.956 5.832 14.519 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.146 6.709 16.912 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.847 6.291 16.849 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.485 4.399 16.536 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.623 4.453 17.868 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.460 3.766 16.368 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.377 3.795 14.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.670 1.557 15.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.056 2.044 16.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.106 2.016 17.362 1.00 0.00 H new ATOM 430 N GLU A 26 -2.648 8.220 13.997 1.00 0.00 N ATOM 431 CA GLU A 26 -1.341 8.834 14.183 1.00 0.00 C ATOM 432 C GLU A 26 -1.269 10.177 13.469 1.00 0.00 C ATOM 433 O GLU A 26 -0.393 10.992 13.754 1.00 0.00 O ATOM 434 CB GLU A 26 -0.241 7.915 13.649 1.00 0.00 C ATOM 435 CG GLU A 26 -0.140 6.589 14.380 1.00 0.00 C ATOM 436 CD GLU A 26 0.265 6.752 15.830 1.00 0.00 C ATOM 437 OE1 GLU A 26 1.458 7.005 16.094 1.00 0.00 O ATOM 438 OE2 GLU A 26 -0.605 6.629 16.715 1.00 0.00 O ATOM 0 H GLU A 26 -2.718 7.620 13.175 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.193 8.993 15.251 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.423 7.723 12.592 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.716 8.431 13.719 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.101 6.077 14.331 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.586 5.953 13.873 1.00 0.00 H new ATOM 445 N GLU A 27 -2.208 10.395 12.548 1.00 0.00 N ATOM 446 CA GLU A 27 -2.209 11.582 11.696 1.00 0.00 C ATOM 447 C GLU A 27 -0.900 11.693 10.931 1.00 0.00 C ATOM 448 O GLU A 27 -0.206 12.709 10.984 1.00 0.00 O ATOM 449 CB GLU A 27 -2.481 12.847 12.508 1.00 0.00 C ATOM 450 CG GLU A 27 -3.939 12.992 12.898 1.00 0.00 C ATOM 451 CD GLU A 27 -4.204 14.209 13.750 1.00 0.00 C ATOM 452 OE1 GLU A 27 -3.821 15.326 13.342 1.00 0.00 O ATOM 453 OE2 GLU A 27 -4.819 14.054 14.826 1.00 0.00 O ATOM 0 H GLU A 27 -2.985 9.757 12.373 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.018 11.477 10.973 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.868 12.834 13.409 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.176 13.718 11.928 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.547 13.048 11.995 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.255 12.100 13.440 1.00 0.00 H new ATOM 460 N VAL A 28 -0.579 10.622 10.219 1.00 0.00 N ATOM 461 CA VAL A 28 0.651 10.544 9.449 1.00 0.00 C ATOM 462 C VAL A 28 0.629 11.519 8.276 1.00 0.00 C ATOM 463 O VAL A 28 -0.436 11.939 7.817 1.00 0.00 O ATOM 464 CB VAL A 28 0.888 9.110 8.919 1.00 0.00 C ATOM 465 CG1 VAL A 28 0.937 8.114 10.069 1.00 0.00 C ATOM 466 CG2 VAL A 28 -0.187 8.711 7.919 1.00 0.00 C ATOM 0 H VAL A 28 -1.162 9.787 10.160 1.00 0.00 H new ATOM 0 HA VAL A 28 1.467 10.814 10.120 1.00 0.00 H new ATOM 0 HB VAL A 28 1.850 9.098 8.407 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.104 7.112 9.675 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.750 8.379 10.745 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.008 8.138 10.611 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.005 7.699 7.563 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.164 8.747 8.401 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.173 9.401 7.075 1.00 0.00 H new ATOM 476 N THR A 29 1.808 11.891 7.806 1.00 0.00 N ATOM 477 CA THR A 29 1.925 12.741 6.637 1.00 0.00 C ATOM 478 C THR A 29 1.723 11.904 5.377 1.00 0.00 C ATOM 479 O THR A 29 1.854 10.681 5.429 1.00 0.00 O ATOM 480 CB THR A 29 3.308 13.422 6.589 1.00 0.00 C ATOM 481 OG1 THR A 29 4.340 12.427 6.584 1.00 0.00 O ATOM 482 CG2 THR A 29 3.494 14.346 7.781 1.00 0.00 C ATOM 0 H THR A 29 2.699 11.616 8.219 1.00 0.00 H new ATOM 0 HA THR A 29 1.161 13.516 6.694 1.00 0.00 H new ATOM 0 HB THR A 29 3.369 14.015 5.676 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.216 12.865 6.552 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.476 14.816 7.727 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.722 15.116 7.769 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.417 13.770 8.703 1.00 0.00 H new ATOM 490 N PRO A 30 1.383 12.535 4.239 1.00 0.00 N ATOM 491 CA PRO A 30 1.244 11.825 2.963 1.00 0.00 C ATOM 492 C PRO A 30 2.482 10.992 2.643 1.00 0.00 C ATOM 493 O PRO A 30 2.378 9.860 2.177 1.00 0.00 O ATOM 494 CB PRO A 30 1.071 12.955 1.944 1.00 0.00 C ATOM 495 CG PRO A 30 0.490 14.079 2.728 1.00 0.00 C ATOM 496 CD PRO A 30 1.081 13.973 4.107 1.00 0.00 C ATOM 0 HA PRO A 30 0.415 11.118 2.968 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.025 13.235 1.496 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.411 12.657 1.129 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.733 15.039 2.272 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.597 14.009 2.763 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.979 14.583 4.208 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.380 14.308 4.872 1.00 0.00 H new ATOM 504 N ASP A 31 3.649 11.558 2.928 1.00 0.00 N ATOM 505 CA ASP A 31 4.917 10.866 2.725 1.00 0.00 C ATOM 506 C ASP A 31 5.038 9.666 3.664 1.00 0.00 C ATOM 507 O ASP A 31 5.323 8.550 3.226 1.00 0.00 O ATOM 508 CB ASP A 31 6.083 11.831 2.944 1.00 0.00 C ATOM 509 CG ASP A 31 7.427 11.130 2.970 1.00 0.00 C ATOM 510 OD1 ASP A 31 7.943 10.776 1.886 1.00 0.00 O ATOM 511 OD2 ASP A 31 7.968 10.930 4.077 1.00 0.00 O ATOM 0 H ASP A 31 3.744 12.502 3.303 1.00 0.00 H new ATOM 0 HA ASP A 31 4.949 10.499 1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.084 12.579 2.151 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.937 12.363 3.884 1.00 0.00 H new ATOM 516 N LEU A 32 4.790 9.897 4.951 1.00 0.00 N ATOM 517 CA LEU A 32 4.861 8.836 5.952 1.00 0.00 C ATOM 518 C LEU A 32 3.876 7.720 5.621 1.00 0.00 C ATOM 519 O LEU A 32 4.178 6.541 5.804 1.00 0.00 O ATOM 520 CB LEU A 32 4.576 9.403 7.346 1.00 0.00 C ATOM 521 CG LEU A 32 4.688 8.405 8.503 1.00 0.00 C ATOM 522 CD1 LEU A 32 6.081 7.798 8.558 1.00 0.00 C ATOM 523 CD2 LEU A 32 4.356 9.086 9.820 1.00 0.00 C ATOM 0 H LEU A 32 4.538 10.812 5.326 1.00 0.00 H new ATOM 0 HA LEU A 32 5.868 8.419 5.943 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.266 10.226 7.532 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.570 9.824 7.349 1.00 0.00 H new ATOM 0 HG LEU A 32 3.971 7.601 8.333 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.138 7.092 9.387 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.288 7.277 7.623 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.817 8.589 8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.440 8.365 10.633 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.052 9.908 9.990 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.338 9.474 9.782 1.00 0.00 H new ATOM 535 N ALA A 33 2.705 8.104 5.128 1.00 0.00 N ATOM 536 CA ALA A 33 1.697 7.145 4.703 1.00 0.00 C ATOM 537 C ALA A 33 2.236 6.259 3.586 1.00 0.00 C ATOM 538 O ALA A 33 2.153 5.036 3.663 1.00 0.00 O ATOM 539 CB ALA A 33 0.436 7.864 4.247 1.00 0.00 C ATOM 0 H ALA A 33 2.430 9.080 5.013 1.00 0.00 H new ATOM 0 HA ALA A 33 1.447 6.512 5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.307 7.131 3.933 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.036 8.456 5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.674 8.521 3.411 1.00 0.00 H new ATOM 545 N LEU A 34 2.818 6.885 2.568 1.00 0.00 N ATOM 546 CA LEU A 34 3.368 6.155 1.433 1.00 0.00 C ATOM 547 C LEU A 34 4.502 5.231 1.873 1.00 0.00 C ATOM 548 O LEU A 34 4.570 4.076 1.455 1.00 0.00 O ATOM 549 CB LEU A 34 3.875 7.125 0.363 1.00 0.00 C ATOM 550 CG LEU A 34 2.816 8.057 -0.233 1.00 0.00 C ATOM 551 CD1 LEU A 34 3.434 8.960 -1.289 1.00 0.00 C ATOM 552 CD2 LEU A 34 1.664 7.256 -0.823 1.00 0.00 C ATOM 0 H LEU A 34 2.921 7.898 2.507 1.00 0.00 H new ATOM 0 HA LEU A 34 2.568 5.547 1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.669 7.734 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.322 6.546 -0.445 1.00 0.00 H new ATOM 0 HG LEU A 34 2.422 8.682 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.667 9.615 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.221 9.563 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.857 8.350 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.923 7.938 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.041 6.603 -1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.202 6.653 -0.041 1.00 0.00 H new ATOM 564 N MET A 35 5.383 5.745 2.726 1.00 0.00 N ATOM 565 CA MET A 35 6.518 4.969 3.215 1.00 0.00 C ATOM 566 C MET A 35 6.055 3.760 4.027 1.00 0.00 C ATOM 567 O MET A 35 6.600 2.669 3.882 1.00 0.00 O ATOM 568 CB MET A 35 7.455 5.849 4.051 1.00 0.00 C ATOM 569 CG MET A 35 8.703 5.121 4.537 1.00 0.00 C ATOM 570 SD MET A 35 9.897 6.216 5.334 1.00 0.00 S ATOM 571 CE MET A 35 8.925 6.860 6.691 1.00 0.00 C ATOM 0 H MET A 35 5.333 6.695 3.093 1.00 0.00 H new ATOM 0 HA MET A 35 7.067 4.601 2.348 1.00 0.00 H new ATOM 0 HB2 MET A 35 7.756 6.712 3.457 1.00 0.00 H new ATOM 0 HB3 MET A 35 6.908 6.231 4.913 1.00 0.00 H new ATOM 0 HG2 MET A 35 8.411 4.340 5.239 1.00 0.00 H new ATOM 0 HG3 MET A 35 9.181 4.627 3.691 1.00 0.00 H new ATOM 0 HE1 MET A 35 9.583 7.349 7.410 1.00 0.00 H new ATOM 0 HE2 MET A 35 8.203 7.582 6.311 1.00 0.00 H new ATOM 0 HE3 MET A 35 8.396 6.042 7.180 1.00 0.00 H new ATOM 581 N CYS A 36 5.042 3.948 4.865 1.00 0.00 N ATOM 582 CA CYS A 36 4.532 2.856 5.687 1.00 0.00 C ATOM 583 C CYS A 36 3.751 1.852 4.839 1.00 0.00 C ATOM 584 O CYS A 36 4.000 0.648 4.908 1.00 0.00 O ATOM 585 CB CYS A 36 3.646 3.396 6.811 1.00 0.00 C ATOM 586 SG CYS A 36 4.497 4.524 7.936 1.00 0.00 S ATOM 0 H CYS A 36 4.561 4.838 4.993 1.00 0.00 H new ATOM 0 HA CYS A 36 5.386 2.343 6.129 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.793 3.912 6.371 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.251 2.557 7.384 1.00 0.00 H new ATOM 0 HG CYS A 36 4.614 5.691 7.375 1.00 0.00 H new ATOM 592 N LEU A 37 2.824 2.355 4.027 1.00 0.00 N ATOM 593 CA LEU A 37 1.985 1.496 3.197 1.00 0.00 C ATOM 594 C LEU A 37 2.821 0.722 2.186 1.00 0.00 C ATOM 595 O LEU A 37 2.711 -0.498 2.092 1.00 0.00 O ATOM 596 CB LEU A 37 0.917 2.318 2.472 1.00 0.00 C ATOM 597 CG LEU A 37 -0.137 2.966 3.377 1.00 0.00 C ATOM 598 CD1 LEU A 37 -1.072 3.843 2.559 1.00 0.00 C ATOM 599 CD2 LEU A 37 -0.927 1.901 4.123 1.00 0.00 C ATOM 0 H LEU A 37 2.635 3.352 3.927 1.00 0.00 H new ATOM 0 HA LEU A 37 1.492 0.781 3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.412 3.102 1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.409 1.672 1.755 1.00 0.00 H new ATOM 0 HG LEU A 37 0.375 3.592 4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.814 4.296 3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.497 4.627 2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.576 3.236 1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.671 2.379 4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.428 1.251 3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.249 1.309 4.738 1.00 0.00 H new ATOM 611 N GLY A 38 3.675 1.431 1.455 1.00 0.00 N ATOM 612 CA GLY A 38 4.494 0.796 0.436 1.00 0.00 C ATOM 613 C GLY A 38 5.420 -0.254 1.013 1.00 0.00 C ATOM 614 O GLY A 38 5.660 -1.291 0.392 1.00 0.00 O ATOM 0 H GLY A 38 3.815 2.437 1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.848 0.336 -0.311 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.084 1.555 -0.077 1.00 0.00 H new ATOM 618 N ASN A 39 5.926 0.010 2.209 1.00 0.00 N ATOM 619 CA ASN A 39 6.816 -0.921 2.892 1.00 0.00 C ATOM 620 C ASN A 39 6.044 -2.176 3.292 1.00 0.00 C ATOM 621 O ASN A 39 6.528 -3.300 3.137 1.00 0.00 O ATOM 622 CB ASN A 39 7.426 -0.241 4.122 1.00 0.00 C ATOM 623 CG ASN A 39 8.733 -0.867 4.574 1.00 0.00 C ATOM 624 OD1 ASN A 39 8.937 -2.075 4.473 1.00 0.00 O ATOM 625 ND2 ASN A 39 9.639 -0.031 5.061 1.00 0.00 N ATOM 0 H ASN A 39 5.735 0.866 2.730 1.00 0.00 H new ATOM 0 HA ASN A 39 7.624 -1.214 2.221 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.595 0.812 3.899 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.710 -0.282 4.943 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.545 -0.384 5.369 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.430 0.965 5.128 1.00 0.00 H new ATOM 632 N ALA A 40 4.823 -1.973 3.778 1.00 0.00 N ATOM 633 CA ALA A 40 3.948 -3.078 4.145 1.00 0.00 C ATOM 634 C ALA A 40 3.572 -3.901 2.917 1.00 0.00 C ATOM 635 O ALA A 40 3.587 -5.132 2.956 1.00 0.00 O ATOM 636 CB ALA A 40 2.700 -2.560 4.844 1.00 0.00 C ATOM 0 H ALA A 40 4.417 -1.049 3.927 1.00 0.00 H new ATOM 0 HA ALA A 40 4.487 -3.725 4.836 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.058 -3.399 5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.986 -2.020 5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.161 -1.889 4.176 1.00 0.00 H new ATOM 642 N VAL A 41 3.248 -3.214 1.823 1.00 0.00 N ATOM 643 CA VAL A 41 2.941 -3.879 0.558 1.00 0.00 C ATOM 644 C VAL A 41 4.124 -4.732 0.111 1.00 0.00 C ATOM 645 O VAL A 41 3.957 -5.891 -0.271 1.00 0.00 O ATOM 646 CB VAL A 41 2.590 -2.866 -0.559 1.00 0.00 C ATOM 647 CG1 VAL A 41 2.310 -3.577 -1.871 1.00 0.00 C ATOM 648 CG2 VAL A 41 1.396 -2.017 -0.163 1.00 0.00 C ATOM 0 H VAL A 41 3.191 -2.196 1.787 1.00 0.00 H new ATOM 0 HA VAL A 41 2.069 -4.511 0.729 1.00 0.00 H new ATOM 0 HB VAL A 41 3.452 -2.214 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.066 -2.842 -2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.192 -4.140 -2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.470 -4.260 -1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.169 -1.313 -0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.533 -2.660 0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.627 -1.467 0.749 1.00 0.00 H new ATOM 658 N THR A 42 5.320 -4.156 0.189 1.00 0.00 N ATOM 659 CA THR A 42 6.545 -4.863 -0.162 1.00 0.00 C ATOM 660 C THR A 42 6.708 -6.127 0.684 1.00 0.00 C ATOM 661 O THR A 42 7.062 -7.190 0.174 1.00 0.00 O ATOM 662 CB THR A 42 7.776 -3.955 0.029 1.00 0.00 C ATOM 663 OG1 THR A 42 7.643 -2.779 -0.781 1.00 0.00 O ATOM 664 CG2 THR A 42 9.060 -4.685 -0.339 1.00 0.00 C ATOM 0 H THR A 42 5.466 -3.194 0.495 1.00 0.00 H new ATOM 0 HA THR A 42 6.471 -5.147 -1.212 1.00 0.00 H new ATOM 0 HB THR A 42 7.830 -3.674 1.081 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.999 -2.167 -0.366 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.911 -4.020 -0.194 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.174 -5.563 0.296 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.016 -4.995 -1.383 1.00 0.00 H new ATOM 672 N ASN A 43 6.426 -6.001 1.976 1.00 0.00 N ATOM 673 CA ASN A 43 6.511 -7.123 2.907 1.00 0.00 C ATOM 674 C ASN A 43 5.546 -8.242 2.514 1.00 0.00 C ATOM 675 O ASN A 43 5.866 -9.423 2.642 1.00 0.00 O ATOM 676 CB ASN A 43 6.224 -6.643 4.335 1.00 0.00 C ATOM 677 CG ASN A 43 6.092 -7.783 5.329 1.00 0.00 C ATOM 678 OD1 ASN A 43 7.084 -8.273 5.862 1.00 0.00 O ATOM 679 ND2 ASN A 43 4.863 -8.200 5.600 1.00 0.00 N ATOM 0 H ASN A 43 6.134 -5.124 2.407 1.00 0.00 H new ATOM 0 HA ASN A 43 7.523 -7.526 2.865 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.026 -5.979 4.657 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.305 -6.058 4.338 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.717 -8.953 6.272 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.064 -7.768 5.136 1.00 0.00 H new ATOM 686 N ILE A 44 4.374 -7.865 2.023 1.00 0.00 N ATOM 687 CA ILE A 44 3.373 -8.839 1.607 1.00 0.00 C ATOM 688 C ILE A 44 3.753 -9.471 0.269 1.00 0.00 C ATOM 689 O ILE A 44 3.703 -10.690 0.113 1.00 0.00 O ATOM 690 CB ILE A 44 1.972 -8.197 1.490 1.00 0.00 C ATOM 691 CG1 ILE A 44 1.533 -7.623 2.842 1.00 0.00 C ATOM 692 CG2 ILE A 44 0.951 -9.207 0.978 1.00 0.00 C ATOM 693 CD1 ILE A 44 1.481 -8.650 3.957 1.00 0.00 C ATOM 0 H ILE A 44 4.092 -6.892 1.903 1.00 0.00 H new ATOM 0 HA ILE A 44 3.339 -9.612 2.375 1.00 0.00 H new ATOM 0 HB ILE A 44 2.029 -7.381 0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.219 -6.826 3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.547 -7.171 2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.027 -8.731 0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.255 -9.565 -0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.894 -10.048 1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.162 -8.168 4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.773 -9.436 3.695 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.470 -9.085 4.097 1.00 0.00 H new ATOM 705 N ILE A 45 4.147 -8.638 -0.687 1.00 0.00 N ATOM 706 CA ILE A 45 4.513 -9.120 -2.015 1.00 0.00 C ATOM 707 C ILE A 45 5.740 -10.027 -1.950 1.00 0.00 C ATOM 708 O ILE A 45 5.890 -10.942 -2.755 1.00 0.00 O ATOM 709 CB ILE A 45 4.782 -7.953 -2.994 1.00 0.00 C ATOM 710 CG1 ILE A 45 3.530 -7.091 -3.155 1.00 0.00 C ATOM 711 CG2 ILE A 45 5.227 -8.483 -4.349 1.00 0.00 C ATOM 712 CD1 ILE A 45 3.729 -5.891 -4.059 1.00 0.00 C ATOM 0 H ILE A 45 4.221 -7.628 -0.569 1.00 0.00 H new ATOM 0 HA ILE A 45 3.664 -9.693 -2.388 1.00 0.00 H new ATOM 0 HB ILE A 45 5.581 -7.338 -2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.725 -7.707 -3.555 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.209 -6.745 -2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.411 -7.647 -5.024 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.143 -9.062 -4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.446 -9.120 -4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.799 -5.327 -4.125 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.512 -5.253 -3.649 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.020 -6.229 -5.054 1.00 0.00 H new ATOM 724 N ALA A 46 6.600 -9.789 -0.970 1.00 0.00 N ATOM 725 CA ALA A 46 7.793 -10.604 -0.788 1.00 0.00 C ATOM 726 C ALA A 46 7.429 -12.050 -0.468 1.00 0.00 C ATOM 727 O ALA A 46 8.226 -12.961 -0.691 1.00 0.00 O ATOM 728 CB ALA A 46 8.661 -10.025 0.314 1.00 0.00 C ATOM 0 H ALA A 46 6.494 -9.038 -0.288 1.00 0.00 H new ATOM 0 HA ALA A 46 8.353 -10.596 -1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.550 -10.644 0.440 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.959 -9.011 0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.098 -10.004 1.247 1.00 0.00 H new ATOM 734 N GLN A 47 6.219 -12.250 0.042 1.00 0.00 N ATOM 735 CA GLN A 47 5.744 -13.578 0.413 1.00 0.00 C ATOM 736 C GLN A 47 5.110 -14.277 -0.787 1.00 0.00 C ATOM 737 O GLN A 47 4.693 -15.436 -0.703 1.00 0.00 O ATOM 738 CB GLN A 47 4.742 -13.465 1.561 1.00 0.00 C ATOM 739 CG GLN A 47 5.301 -12.724 2.766 1.00 0.00 C ATOM 740 CD GLN A 47 4.275 -12.497 3.857 1.00 0.00 C ATOM 741 OE1 GLN A 47 3.358 -13.296 4.048 1.00 0.00 O ATOM 742 NE2 GLN A 47 4.415 -11.390 4.570 1.00 0.00 N ATOM 0 H GLN A 47 5.545 -11.503 0.209 1.00 0.00 H new ATOM 0 HA GLN A 47 6.593 -14.178 0.742 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.849 -12.950 1.207 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.434 -14.465 1.867 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.138 -13.289 3.176 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.695 -11.761 2.441 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.190 -10.755 4.379 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.748 -11.173 5.311 1.00 0.00 H new ATOM 751 N VAL A 48 5.037 -13.563 -1.898 1.00 0.00 N ATOM 752 CA VAL A 48 4.548 -14.123 -3.147 1.00 0.00 C ATOM 753 C VAL A 48 5.703 -14.812 -3.873 1.00 0.00 C ATOM 754 O VAL A 48 6.812 -14.289 -3.897 1.00 0.00 O ATOM 755 CB VAL A 48 3.944 -13.018 -4.051 1.00 0.00 C ATOM 756 CG1 VAL A 48 3.364 -13.599 -5.333 1.00 0.00 C ATOM 757 CG2 VAL A 48 2.879 -12.232 -3.297 1.00 0.00 C ATOM 0 H VAL A 48 5.314 -12.583 -1.960 1.00 0.00 H new ATOM 0 HA VAL A 48 3.763 -14.846 -2.925 1.00 0.00 H new ATOM 0 HB VAL A 48 4.752 -12.341 -4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.950 -12.795 -5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.151 -14.108 -5.890 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.576 -14.310 -5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.467 -11.461 -3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.082 -12.907 -2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.325 -11.765 -2.419 1.00 0.00 H new ATOM 767 N PRO A 49 5.479 -16.006 -4.434 1.00 0.00 N ATOM 768 CA PRO A 49 6.524 -16.734 -5.158 1.00 0.00 C ATOM 769 C PRO A 49 7.025 -15.990 -6.386 1.00 0.00 C ATOM 770 O PRO A 49 6.237 -15.487 -7.186 1.00 0.00 O ATOM 771 CB PRO A 49 5.852 -18.052 -5.562 1.00 0.00 C ATOM 772 CG PRO A 49 4.647 -18.165 -4.689 1.00 0.00 C ATOM 773 CD PRO A 49 4.216 -16.759 -4.384 1.00 0.00 C ATOM 0 HA PRO A 49 7.409 -16.871 -4.537 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.574 -18.045 -6.616 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.524 -18.897 -5.415 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.852 -18.715 -5.192 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.880 -18.708 -3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.497 -16.390 -5.115 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.741 -16.686 -3.406 1.00 0.00 H new ATOM 781 N GLU A 50 8.352 -15.952 -6.501 1.00 0.00 N ATOM 782 CA GLU A 50 9.080 -15.286 -7.587 1.00 0.00 C ATOM 783 C GLU A 50 8.344 -15.324 -8.931 1.00 0.00 C ATOM 784 O GLU A 50 8.138 -14.285 -9.560 1.00 0.00 O ATOM 785 CB GLU A 50 10.443 -15.960 -7.754 1.00 0.00 C ATOM 786 CG GLU A 50 11.426 -15.150 -8.578 1.00 0.00 C ATOM 787 CD GLU A 50 11.887 -13.912 -7.848 1.00 0.00 C ATOM 788 OE1 GLU A 50 11.104 -12.949 -7.748 1.00 0.00 O ATOM 789 OE2 GLU A 50 13.028 -13.906 -7.344 1.00 0.00 O ATOM 0 H GLU A 50 8.971 -16.396 -5.823 1.00 0.00 H new ATOM 0 HA GLU A 50 9.177 -14.237 -7.307 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.872 -16.142 -6.769 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.302 -16.933 -8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.289 -15.768 -8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.960 -14.863 -9.521 1.00 0.00 H new ATOM 796 N SER A 51 7.939 -16.521 -9.343 1.00 0.00 N ATOM 797 CA SER A 51 7.369 -16.746 -10.672 1.00 0.00 C ATOM 798 C SER A 51 6.169 -15.832 -10.953 1.00 0.00 C ATOM 799 O SER A 51 5.940 -15.436 -12.099 1.00 0.00 O ATOM 800 CB SER A 51 6.959 -18.215 -10.811 1.00 0.00 C ATOM 801 OG SER A 51 6.872 -18.601 -12.171 1.00 0.00 O ATOM 0 H SER A 51 7.995 -17.362 -8.769 1.00 0.00 H new ATOM 0 HA SER A 51 8.135 -16.503 -11.408 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.684 -18.847 -10.298 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.997 -18.373 -10.324 1.00 0.00 H new ATOM 0 HG SER A 51 6.610 -19.544 -12.227 1.00 0.00 H new ATOM 807 N LYS A 52 5.416 -15.483 -9.915 1.00 0.00 N ATOM 808 CA LYS A 52 4.235 -14.642 -10.083 1.00 0.00 C ATOM 809 C LYS A 52 4.364 -13.359 -9.263 1.00 0.00 C ATOM 810 O LYS A 52 3.432 -12.560 -9.188 1.00 0.00 O ATOM 811 CB LYS A 52 2.971 -15.408 -9.665 1.00 0.00 C ATOM 812 CG LYS A 52 2.962 -15.815 -8.198 1.00 0.00 C ATOM 813 CD LYS A 52 1.687 -16.551 -7.804 1.00 0.00 C ATOM 814 CE LYS A 52 0.444 -15.708 -8.043 1.00 0.00 C ATOM 815 NZ LYS A 52 -0.289 -16.122 -9.272 1.00 0.00 N ATOM 0 H LYS A 52 5.601 -15.767 -8.953 1.00 0.00 H new ATOM 0 HA LYS A 52 4.154 -14.374 -11.136 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.097 -14.788 -9.867 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.877 -16.302 -10.282 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.823 -16.452 -7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.071 -14.926 -7.577 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.612 -17.477 -8.374 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.740 -16.829 -6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.219 -15.789 -7.182 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.729 -14.659 -8.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.128 -15.520 -9.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.334 -16.020 -10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.585 -17.115 -9.182 1.00 0.00 H new ATOM 829 N ARG A 53 5.535 -13.160 -8.674 1.00 0.00 N ATOM 830 CA ARG A 53 5.759 -12.049 -7.758 1.00 0.00 C ATOM 831 C ARG A 53 6.058 -10.761 -8.518 1.00 0.00 C ATOM 832 O ARG A 53 5.613 -9.681 -8.128 1.00 0.00 O ATOM 833 CB ARG A 53 6.903 -12.391 -6.806 1.00 0.00 C ATOM 834 CG ARG A 53 7.186 -11.322 -5.769 1.00 0.00 C ATOM 835 CD ARG A 53 8.116 -11.837 -4.683 1.00 0.00 C ATOM 836 NE ARG A 53 9.383 -12.317 -5.221 1.00 0.00 N ATOM 837 CZ ARG A 53 10.528 -12.276 -4.548 1.00 0.00 C ATOM 838 NH1 ARG A 53 10.509 -12.052 -3.242 1.00 0.00 N ATOM 839 NH2 ARG A 53 11.674 -12.524 -5.161 1.00 0.00 N ATOM 0 H ARG A 53 6.350 -13.757 -8.815 1.00 0.00 H new ATOM 0 HA ARG A 53 4.850 -11.886 -7.180 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.669 -13.325 -6.295 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.807 -12.565 -7.389 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.634 -10.453 -6.252 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.249 -10.990 -5.321 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.308 -11.040 -3.964 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.625 -12.645 -4.140 1.00 0.00 H new ATOM 0 HE ARG A 53 9.391 -12.705 -6.164 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.620 -11.913 -2.761 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.383 -12.019 -2.717 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.682 -12.748 -6.156 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.549 -12.491 -4.639 1.00 0.00 H new ATOM 853 N VAL A 54 6.797 -10.881 -9.611 1.00 0.00 N ATOM 854 CA VAL A 54 7.138 -9.723 -10.425 1.00 0.00 C ATOM 855 C VAL A 54 5.886 -9.176 -11.110 1.00 0.00 C ATOM 856 O VAL A 54 5.715 -7.965 -11.259 1.00 0.00 O ATOM 857 CB VAL A 54 8.205 -10.074 -11.485 1.00 0.00 C ATOM 858 CG1 VAL A 54 8.613 -8.842 -12.281 1.00 0.00 C ATOM 859 CG2 VAL A 54 9.419 -10.716 -10.827 1.00 0.00 C ATOM 0 H VAL A 54 7.171 -11.766 -9.954 1.00 0.00 H new ATOM 0 HA VAL A 54 7.553 -8.961 -9.765 1.00 0.00 H new ATOM 0 HB VAL A 54 7.768 -10.791 -12.180 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.365 -9.119 -13.020 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.740 -8.431 -12.788 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.026 -8.093 -11.606 1.00 0.00 H new ATOM 0 HG21 VAL A 54 10.161 -10.957 -11.588 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.851 -10.022 -10.106 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.115 -11.629 -10.315 1.00 0.00 H new ATOM 869 N ALA A 55 5.001 -10.084 -11.500 1.00 0.00 N ATOM 870 CA ALA A 55 3.765 -9.710 -12.168 1.00 0.00 C ATOM 871 C ALA A 55 2.849 -8.918 -11.242 1.00 0.00 C ATOM 872 O ALA A 55 2.358 -7.851 -11.611 1.00 0.00 O ATOM 873 CB ALA A 55 3.047 -10.946 -12.688 1.00 0.00 C ATOM 0 H ALA A 55 5.118 -11.088 -11.364 1.00 0.00 H new ATOM 0 HA ALA A 55 4.024 -9.070 -13.011 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.124 -10.648 -13.185 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.689 -11.468 -13.397 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.813 -11.608 -11.855 1.00 0.00 H new ATOM 879 N VAL A 56 2.627 -9.429 -10.031 1.00 0.00 N ATOM 880 CA VAL A 56 1.689 -8.799 -9.107 1.00 0.00 C ATOM 881 C VAL A 56 2.172 -7.425 -8.647 1.00 0.00 C ATOM 882 O VAL A 56 1.370 -6.503 -8.511 1.00 0.00 O ATOM 883 CB VAL A 56 1.381 -9.683 -7.874 1.00 0.00 C ATOM 884 CG1 VAL A 56 0.678 -10.964 -8.299 1.00 0.00 C ATOM 885 CG2 VAL A 56 2.642 -10.008 -7.086 1.00 0.00 C ATOM 0 H VAL A 56 3.080 -10.269 -9.671 1.00 0.00 H new ATOM 0 HA VAL A 56 0.765 -8.674 -9.672 1.00 0.00 H new ATOM 0 HB VAL A 56 0.719 -9.116 -7.220 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.469 -11.573 -7.420 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.258 -10.716 -8.800 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.319 -11.521 -8.983 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.385 -10.630 -6.228 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.343 -10.544 -7.726 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.102 -9.083 -6.739 1.00 0.00 H new ATOM 895 N VAL A 57 3.477 -7.277 -8.427 1.00 0.00 N ATOM 896 CA VAL A 57 4.020 -6.004 -7.956 1.00 0.00 C ATOM 897 C VAL A 57 3.954 -4.934 -9.044 1.00 0.00 C ATOM 898 O VAL A 57 3.697 -3.759 -8.760 1.00 0.00 O ATOM 899 CB VAL A 57 5.475 -6.135 -7.437 1.00 0.00 C ATOM 900 CG1 VAL A 57 6.426 -6.603 -8.528 1.00 0.00 C ATOM 901 CG2 VAL A 57 5.951 -4.815 -6.844 1.00 0.00 C ATOM 0 H VAL A 57 4.170 -8.012 -8.565 1.00 0.00 H new ATOM 0 HA VAL A 57 3.393 -5.699 -7.118 1.00 0.00 H new ATOM 0 HB VAL A 57 5.476 -6.894 -6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.435 -6.682 -8.122 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.106 -7.578 -8.896 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.420 -5.885 -9.348 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.974 -4.925 -6.485 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.917 -4.039 -7.609 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.303 -4.535 -6.014 1.00 0.00 H new ATOM 911 N ASP A 58 4.168 -5.336 -10.290 1.00 0.00 N ATOM 912 CA ASP A 58 4.146 -4.383 -11.387 1.00 0.00 C ATOM 913 C ASP A 58 2.713 -4.029 -11.751 1.00 0.00 C ATOM 914 O ASP A 58 2.403 -2.867 -12.001 1.00 0.00 O ATOM 915 CB ASP A 58 4.890 -4.919 -12.607 1.00 0.00 C ATOM 916 CG ASP A 58 5.159 -3.829 -13.625 1.00 0.00 C ATOM 917 OD1 ASP A 58 6.077 -3.011 -13.394 1.00 0.00 O ATOM 918 OD2 ASP A 58 4.457 -3.779 -14.655 1.00 0.00 O ATOM 0 H ASP A 58 4.356 -6.301 -10.562 1.00 0.00 H new ATOM 0 HA ASP A 58 4.659 -3.480 -11.056 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.834 -5.363 -12.291 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.304 -5.713 -13.070 1.00 0.00 H new ATOM 923 N ASN A 59 1.835 -5.029 -11.757 1.00 0.00 N ATOM 924 CA ASN A 59 0.414 -4.789 -11.995 1.00 0.00 C ATOM 925 C ASN A 59 -0.165 -3.898 -10.906 1.00 0.00 C ATOM 926 O ASN A 59 -0.975 -3.015 -11.185 1.00 0.00 O ATOM 927 CB ASN A 59 -0.369 -6.104 -12.065 1.00 0.00 C ATOM 928 CG ASN A 59 -0.265 -6.776 -13.420 1.00 0.00 C ATOM 929 OD1 ASN A 59 -0.096 -6.116 -14.446 1.00 0.00 O ATOM 930 ND2 ASN A 59 -0.385 -8.094 -13.437 1.00 0.00 N ATOM 0 H ASN A 59 2.080 -6.007 -11.601 1.00 0.00 H new ATOM 0 HA ASN A 59 0.320 -4.284 -12.957 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.001 -6.784 -11.298 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.418 -5.910 -11.840 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.338 -8.599 -14.322 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.524 -8.605 -12.565 1.00 0.00 H new ATOM 937 N PHE A 60 0.262 -4.137 -9.668 1.00 0.00 N ATOM 938 CA PHE A 60 -0.123 -3.302 -8.533 1.00 0.00 C ATOM 939 C PHE A 60 0.206 -1.851 -8.814 1.00 0.00 C ATOM 940 O PHE A 60 -0.661 -0.980 -8.799 1.00 0.00 O ATOM 941 CB PHE A 60 0.649 -3.737 -7.286 1.00 0.00 C ATOM 942 CG PHE A 60 0.269 -3.005 -6.031 1.00 0.00 C ATOM 943 CD1 PHE A 60 -0.851 -3.369 -5.303 1.00 0.00 C ATOM 944 CD2 PHE A 60 1.051 -1.958 -5.569 1.00 0.00 C ATOM 945 CE1 PHE A 60 -1.183 -2.702 -4.139 1.00 0.00 C ATOM 946 CE2 PHE A 60 0.720 -1.287 -4.409 1.00 0.00 C ATOM 947 CZ PHE A 60 -0.395 -1.660 -3.694 1.00 0.00 C ATOM 0 H PHE A 60 0.881 -4.910 -9.424 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.195 -3.413 -8.373 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.492 -4.804 -7.131 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.715 -3.595 -7.466 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.472 -4.183 -5.648 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.930 -1.664 -6.123 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.058 -2.996 -3.578 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.336 -0.470 -4.063 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.653 -1.137 -2.785 1.00 0.00 H new ATOM 957 N THR A 61 1.472 -1.611 -9.087 1.00 0.00 N ATOM 958 CA THR A 61 1.974 -0.269 -9.257 1.00 0.00 C ATOM 959 C THR A 61 1.434 0.386 -10.528 1.00 0.00 C ATOM 960 O THR A 61 1.159 1.585 -10.539 1.00 0.00 O ATOM 961 CB THR A 61 3.516 -0.267 -9.241 1.00 0.00 C ATOM 962 OG1 THR A 61 4.024 -1.386 -9.977 1.00 0.00 O ATOM 963 CG2 THR A 61 4.038 -0.324 -7.810 1.00 0.00 C ATOM 0 H THR A 61 2.177 -2.340 -9.196 1.00 0.00 H new ATOM 0 HA THR A 61 1.618 0.328 -8.418 1.00 0.00 H new ATOM 0 HB THR A 61 3.857 0.657 -9.708 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.150 -2.146 -9.371 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.128 -0.322 -7.820 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.678 0.544 -7.257 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.681 -1.235 -7.329 1.00 0.00 H new ATOM 971 N LYS A 62 1.249 -0.398 -11.583 1.00 0.00 N ATOM 972 CA LYS A 62 0.690 0.125 -12.823 1.00 0.00 C ATOM 973 C LYS A 62 -0.760 0.549 -12.615 1.00 0.00 C ATOM 974 O LYS A 62 -1.160 1.647 -13.007 1.00 0.00 O ATOM 975 CB LYS A 62 0.783 -0.920 -13.938 1.00 0.00 C ATOM 976 CG LYS A 62 0.364 -0.392 -15.300 1.00 0.00 C ATOM 977 CD LYS A 62 0.649 -1.391 -16.412 1.00 0.00 C ATOM 978 CE LYS A 62 -0.315 -2.567 -16.393 1.00 0.00 C ATOM 979 NZ LYS A 62 -1.711 -2.154 -16.709 1.00 0.00 N ATOM 0 H LYS A 62 1.476 -1.392 -11.605 1.00 0.00 H new ATOM 0 HA LYS A 62 1.270 0.999 -13.120 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.808 -1.285 -13.998 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.156 -1.773 -13.679 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.701 -0.159 -15.286 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.892 0.539 -15.506 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.584 -0.886 -17.376 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.670 -1.760 -16.313 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.013 -3.315 -17.114 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.291 -3.039 -15.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.275 -2.994 -16.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.129 -1.683 -15.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.705 -1.497 -17.515 1.00 0.00 H new ATOM 993 N ALA A 63 -1.535 -0.316 -11.970 1.00 0.00 N ATOM 994 CA ALA A 63 -2.942 -0.036 -11.711 1.00 0.00 C ATOM 995 C ALA A 63 -3.094 1.137 -10.753 1.00 0.00 C ATOM 996 O ALA A 63 -4.062 1.892 -10.828 1.00 0.00 O ATOM 997 CB ALA A 63 -3.640 -1.266 -11.151 1.00 0.00 C ATOM 0 H ALA A 63 -1.212 -1.217 -11.617 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.411 0.230 -12.658 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.689 -1.036 -10.965 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.570 -2.083 -11.869 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.162 -1.562 -10.217 1.00 0.00 H new ATOM 1003 N LEU A 64 -2.124 1.289 -9.860 1.00 0.00 N ATOM 1004 CA LEU A 64 -2.136 2.372 -8.888 1.00 0.00 C ATOM 1005 C LEU A 64 -1.907 3.712 -9.587 1.00 0.00 C ATOM 1006 O LEU A 64 -2.571 4.700 -9.279 1.00 0.00 O ATOM 1007 CB LEU A 64 -1.078 2.112 -7.809 1.00 0.00 C ATOM 1008 CG LEU A 64 -1.298 2.836 -6.478 1.00 0.00 C ATOM 1009 CD1 LEU A 64 -0.720 2.019 -5.334 1.00 0.00 C ATOM 1010 CD2 LEU A 64 -0.668 4.220 -6.497 1.00 0.00 C ATOM 0 H LEU A 64 -1.315 0.671 -9.790 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.111 2.415 -8.403 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.037 1.040 -7.616 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.104 2.402 -8.203 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.372 2.951 -6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.883 2.545 -4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.212 1.047 -5.296 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.349 1.879 -5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.840 4.711 -5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.404 4.129 -6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.116 4.813 -7.294 1.00 0.00 H new ATOM 1022 N LYS A 65 -0.985 3.733 -10.551 1.00 0.00 N ATOM 1023 CA LYS A 65 -0.744 4.936 -11.346 1.00 0.00 C ATOM 1024 C LYS A 65 -2.035 5.372 -12.037 1.00 0.00 C ATOM 1025 O LYS A 65 -2.390 6.551 -12.035 1.00 0.00 O ATOM 1026 CB LYS A 65 0.348 4.691 -12.401 1.00 0.00 C ATOM 1027 CG LYS A 65 1.698 4.300 -11.819 1.00 0.00 C ATOM 1028 CD LYS A 65 2.355 5.448 -11.071 1.00 0.00 C ATOM 1029 CE LYS A 65 3.076 6.408 -12.007 1.00 0.00 C ATOM 1030 NZ LYS A 65 4.237 5.762 -12.682 1.00 0.00 N ATOM 0 H LYS A 65 -0.397 2.937 -10.798 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.405 5.724 -10.674 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.014 3.904 -13.077 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.470 5.594 -12.999 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.569 3.455 -11.143 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.356 3.968 -12.622 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.597 5.993 -10.508 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.065 5.048 -10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.377 6.775 -12.759 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.421 7.275 -11.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.987 6.467 -12.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.601 4.992 -12.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.935 5.376 -13.599 1.00 0.00 H new ATOM 1044 N GLN A 66 -2.740 4.398 -12.602 1.00 0.00 N ATOM 1045 CA GLN A 66 -3.987 4.654 -13.313 1.00 0.00 C ATOM 1046 C GLN A 66 -5.079 5.130 -12.360 1.00 0.00 C ATOM 1047 O GLN A 66 -5.813 6.073 -12.663 1.00 0.00 O ATOM 1048 CB GLN A 66 -4.449 3.387 -14.030 1.00 0.00 C ATOM 1049 CG GLN A 66 -3.413 2.805 -14.976 1.00 0.00 C ATOM 1050 CD GLN A 66 -3.859 1.499 -15.596 1.00 0.00 C ATOM 1051 OE1 GLN A 66 -4.620 0.739 -14.998 1.00 0.00 O ATOM 1052 NE2 GLN A 66 -3.380 1.220 -16.797 1.00 0.00 N ATOM 0 H GLN A 66 -2.466 3.416 -12.581 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.802 5.442 -14.043 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.711 2.635 -13.286 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.356 3.609 -14.592 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.203 3.525 -15.767 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.481 2.646 -14.434 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.751 1.876 -17.260 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.639 0.349 -17.260 1.00 0.00 H new ATOM 1061 N SER A 67 -5.168 4.489 -11.200 1.00 0.00 N ATOM 1062 CA SER A 67 -6.212 4.798 -10.236 1.00 0.00 C ATOM 1063 C SER A 67 -5.902 6.081 -9.470 1.00 0.00 C ATOM 1064 O SER A 67 -6.688 6.524 -8.643 1.00 0.00 O ATOM 1065 CB SER A 67 -6.412 3.626 -9.271 1.00 0.00 C ATOM 1066 OG SER A 67 -5.180 3.193 -8.722 1.00 0.00 O ATOM 0 H SER A 67 -4.528 3.751 -10.906 1.00 0.00 H new ATOM 0 HA SER A 67 -7.139 4.959 -10.786 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.085 3.925 -8.468 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.889 2.798 -9.795 1.00 0.00 H new ATOM 0 HG SER A 67 -4.740 2.581 -9.348 1.00 0.00 H new ATOM 1072 N VAL A 68 -4.744 6.660 -9.721 1.00 0.00 N ATOM 1073 CA VAL A 68 -4.444 7.985 -9.202 1.00 0.00 C ATOM 1074 C VAL A 68 -4.766 9.049 -10.251 1.00 0.00 C ATOM 1075 O VAL A 68 -5.168 10.168 -9.918 1.00 0.00 O ATOM 1076 CB VAL A 68 -2.971 8.088 -8.745 1.00 0.00 C ATOM 1077 CG1 VAL A 68 -2.561 9.531 -8.498 1.00 0.00 C ATOM 1078 CG2 VAL A 68 -2.757 7.260 -7.488 1.00 0.00 C ATOM 0 H VAL A 68 -3.999 6.240 -10.277 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.071 8.159 -8.327 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.344 7.698 -9.547 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.519 9.564 -8.178 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.676 10.105 -9.418 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.193 9.961 -7.721 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.716 7.339 -7.173 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.405 7.630 -6.694 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.996 6.217 -7.694 1.00 0.00 H new ATOM 1088 N LEU A 69 -4.624 8.681 -11.518 1.00 0.00 N ATOM 1089 CA LEU A 69 -4.900 9.600 -12.614 1.00 0.00 C ATOM 1090 C LEU A 69 -6.403 9.786 -12.823 1.00 0.00 C ATOM 1091 O LEU A 69 -6.917 10.900 -12.713 1.00 0.00 O ATOM 1092 CB LEU A 69 -4.250 9.102 -13.907 1.00 0.00 C ATOM 1093 CG LEU A 69 -2.720 9.046 -13.888 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -2.191 8.493 -15.202 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -2.142 10.428 -13.620 1.00 0.00 C ATOM 0 H LEU A 69 -4.319 7.753 -11.812 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.473 10.567 -12.349 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.631 8.105 -14.126 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.564 9.750 -14.725 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.408 8.379 -13.084 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.102 8.460 -15.171 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.580 7.487 -15.356 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.511 9.135 -16.022 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.054 10.371 -13.610 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.462 11.115 -14.404 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.496 10.789 -12.654 1.00 0.00 H new ATOM 1354 N SER B 8 10.117 9.541 13.757 1.00 0.00 N ATOM 1355 CA SER B 8 10.697 8.694 14.781 1.00 0.00 C ATOM 1356 C SER B 8 10.659 7.234 14.336 1.00 0.00 C ATOM 1357 O SER B 8 9.594 6.701 14.015 1.00 0.00 O ATOM 1358 CB SER B 8 9.949 8.902 16.095 1.00 0.00 C ATOM 1359 OG SER B 8 8.559 9.070 15.862 1.00 0.00 O ATOM 0 HA SER B 8 11.742 8.963 14.937 1.00 0.00 H new ATOM 0 HB2 SER B 8 10.112 8.047 16.751 1.00 0.00 H new ATOM 0 HB3 SER B 8 10.345 9.778 16.609 1.00 0.00 H new ATOM 0 HG SER B 8 8.409 9.279 14.916 1.00 0.00 H new ATOM 1365 N ASN B 9 11.827 6.598 14.302 1.00 0.00 N ATOM 1366 CA ASN B 9 11.959 5.231 13.787 1.00 0.00 C ATOM 1367 C ASN B 9 11.068 4.252 14.549 1.00 0.00 C ATOM 1368 O ASN B 9 10.475 3.354 13.953 1.00 0.00 O ATOM 1369 CB ASN B 9 13.425 4.769 13.837 1.00 0.00 C ATOM 1370 CG ASN B 9 13.966 4.620 15.251 1.00 0.00 C ATOM 1371 OD1 ASN B 9 14.411 5.590 15.861 1.00 0.00 O ATOM 1372 ND2 ASN B 9 13.954 3.402 15.773 1.00 0.00 N ATOM 0 H ASN B 9 12.703 7.008 14.626 1.00 0.00 H new ATOM 0 HA ASN B 9 11.629 5.242 12.748 1.00 0.00 H new ATOM 0 HB2 ASN B 9 13.515 3.814 13.320 1.00 0.00 H new ATOM 0 HB3 ASN B 9 14.042 5.485 13.294 1.00 0.00 H new ATOM 0 HD21 ASN B 9 14.322 3.246 16.711 1.00 0.00 H new ATOM 0 HD22 ASN B 9 13.576 2.621 15.237 1.00 0.00 H new ATOM 1379 N GLU B 10 10.950 4.452 15.854 1.00 0.00 N ATOM 1380 CA GLU B 10 10.155 3.569 16.697 1.00 0.00 C ATOM 1381 C GLU B 10 8.674 3.703 16.376 1.00 0.00 C ATOM 1382 O GLU B 10 7.922 2.732 16.444 1.00 0.00 O ATOM 1383 CB GLU B 10 10.406 3.891 18.166 1.00 0.00 C ATOM 1384 CG GLU B 10 11.861 3.737 18.570 1.00 0.00 C ATOM 1385 CD GLU B 10 12.154 4.340 19.923 1.00 0.00 C ATOM 1386 OE1 GLU B 10 12.174 5.585 20.027 1.00 0.00 O ATOM 1387 OE2 GLU B 10 12.386 3.575 20.883 1.00 0.00 O ATOM 0 H GLU B 10 11.396 5.221 16.354 1.00 0.00 H new ATOM 0 HA GLU B 10 10.454 2.540 16.499 1.00 0.00 H new ATOM 0 HB2 GLU B 10 10.086 4.913 18.367 1.00 0.00 H new ATOM 0 HB3 GLU B 10 9.792 3.237 18.785 1.00 0.00 H new ATOM 0 HG2 GLU B 10 12.120 2.678 18.584 1.00 0.00 H new ATOM 0 HG3 GLU B 10 12.495 4.211 17.820 1.00 0.00 H new ATOM 1394 N ARG B 11 8.266 4.910 16.008 1.00 0.00 N ATOM 1395 CA ARG B 11 6.876 5.173 15.678 1.00 0.00 C ATOM 1396 C ARG B 11 6.553 4.638 14.290 1.00 0.00 C ATOM 1397 O ARG B 11 5.533 3.981 14.098 1.00 0.00 O ATOM 1398 CB ARG B 11 6.582 6.672 15.749 1.00 0.00 C ATOM 1399 CG ARG B 11 5.115 7.014 15.556 1.00 0.00 C ATOM 1400 CD ARG B 11 4.867 8.504 15.698 1.00 0.00 C ATOM 1401 NE ARG B 11 3.445 8.810 15.828 1.00 0.00 N ATOM 1402 CZ ARG B 11 2.956 10.042 15.937 1.00 0.00 C ATOM 1403 NH1 ARG B 11 3.766 11.094 15.868 1.00 0.00 N ATOM 1404 NH2 ARG B 11 1.655 10.218 16.110 1.00 0.00 N ATOM 0 H ARG B 11 8.880 5.721 15.931 1.00 0.00 H new ATOM 0 HA ARG B 11 6.246 4.662 16.406 1.00 0.00 H new ATOM 0 HB2 ARG B 11 6.911 7.053 16.716 1.00 0.00 H new ATOM 0 HB3 ARG B 11 7.169 7.185 14.988 1.00 0.00 H new ATOM 0 HG2 ARG B 11 4.790 6.683 14.570 1.00 0.00 H new ATOM 0 HG3 ARG B 11 4.515 6.473 16.288 1.00 0.00 H new ATOM 0 HD2 ARG B 11 5.400 8.879 16.572 1.00 0.00 H new ATOM 0 HD3 ARG B 11 5.272 9.024 14.830 1.00 0.00 H new ATOM 0 HE ARG B 11 2.786 8.031 15.836 1.00 0.00 H new ATOM 0 HH11 ARG B 11 4.768 10.958 15.731 1.00 0.00 H new ATOM 0 HH12 ARG B 11 3.386 12.037 15.952 1.00 0.00 H new ATOM 0 HH21 ARG B 11 1.033 9.411 16.159 1.00 0.00 H new ATOM 0 HH22 ARG B 11 1.275 11.161 16.194 1.00 0.00 H new ATOM 1418 N VAL B 12 7.433 4.912 13.330 1.00 0.00 N ATOM 1419 CA VAL B 12 7.253 4.432 11.962 1.00 0.00 C ATOM 1420 C VAL B 12 7.133 2.912 11.939 1.00 0.00 C ATOM 1421 O VAL B 12 6.231 2.357 11.309 1.00 0.00 O ATOM 1422 CB VAL B 12 8.421 4.864 11.049 1.00 0.00 C ATOM 1423 CG1 VAL B 12 8.234 4.329 9.637 1.00 0.00 C ATOM 1424 CG2 VAL B 12 8.549 6.380 11.030 1.00 0.00 C ATOM 0 H VAL B 12 8.278 5.464 13.474 1.00 0.00 H new ATOM 0 HA VAL B 12 6.333 4.878 11.583 1.00 0.00 H new ATOM 0 HB VAL B 12 9.341 4.442 11.453 1.00 0.00 H new ATOM 0 HG11 VAL B 12 9.070 4.647 9.014 1.00 0.00 H new ATOM 0 HG12 VAL B 12 8.194 3.240 9.663 1.00 0.00 H new ATOM 0 HG13 VAL B 12 7.304 4.716 9.221 1.00 0.00 H new ATOM 0 HG21 VAL B 12 9.377 6.667 10.382 1.00 0.00 H new ATOM 0 HG22 VAL B 12 7.625 6.818 10.654 1.00 0.00 H new ATOM 0 HG23 VAL B 12 8.737 6.742 12.041 1.00 0.00 H new ATOM 1434 N GLU B 13 8.038 2.250 12.653 1.00 0.00 N ATOM 1435 CA GLU B 13 8.034 0.795 12.744 1.00 0.00 C ATOM 1436 C GLU B 13 6.726 0.308 13.366 1.00 0.00 C ATOM 1437 O GLU B 13 6.152 -0.693 12.932 1.00 0.00 O ATOM 1438 CB GLU B 13 9.219 0.317 13.587 1.00 0.00 C ATOM 1439 CG GLU B 13 9.555 -1.153 13.399 1.00 0.00 C ATOM 1440 CD GLU B 13 10.134 -1.442 12.028 1.00 0.00 C ATOM 1441 OE1 GLU B 13 11.344 -1.199 11.830 1.00 0.00 O ATOM 1442 OE2 GLU B 13 9.387 -1.919 11.148 1.00 0.00 O ATOM 0 H GLU B 13 8.786 2.701 13.179 1.00 0.00 H new ATOM 0 HA GLU B 13 8.123 0.383 11.739 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.095 0.915 13.336 1.00 0.00 H new ATOM 0 HB3 GLU B 13 9.000 0.498 14.639 1.00 0.00 H new ATOM 0 HG2 GLU B 13 10.268 -1.461 14.164 1.00 0.00 H new ATOM 0 HG3 GLU B 13 8.655 -1.750 13.544 1.00 0.00 H new ATOM 1449 N LYS B 14 6.255 1.037 14.377 1.00 0.00 N ATOM 1450 CA LYS B 14 5.011 0.701 15.060 1.00 0.00 C ATOM 1451 C LYS B 14 3.832 0.834 14.101 1.00 0.00 C ATOM 1452 O LYS B 14 2.940 -0.009 14.090 1.00 0.00 O ATOM 1453 CB LYS B 14 4.821 1.613 16.285 1.00 0.00 C ATOM 1454 CG LYS B 14 3.803 1.114 17.313 1.00 0.00 C ATOM 1455 CD LYS B 14 2.360 1.391 16.905 1.00 0.00 C ATOM 1456 CE LYS B 14 1.386 0.949 17.988 1.00 0.00 C ATOM 1457 NZ LYS B 14 -0.031 1.240 17.628 1.00 0.00 N ATOM 0 H LYS B 14 6.721 1.868 14.741 1.00 0.00 H new ATOM 0 HA LYS B 14 5.060 -0.333 15.402 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.784 1.736 16.780 1.00 0.00 H new ATOM 0 HB3 LYS B 14 4.512 2.600 15.940 1.00 0.00 H new ATOM 0 HG2 LYS B 14 3.935 0.041 17.456 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.001 1.590 18.273 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.233 2.456 16.711 1.00 0.00 H new ATOM 0 HD3 LYS B 14 2.136 0.868 15.975 1.00 0.00 H new ATOM 0 HE2 LYS B 14 1.502 -0.121 18.163 1.00 0.00 H new ATOM 0 HE3 LYS B 14 1.632 1.453 18.923 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -0.532 1.610 18.461 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -0.057 1.947 16.866 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -0.494 0.366 17.306 1.00 0.00 H new ATOM 1471 N ILE B 15 3.844 1.887 13.290 1.00 0.00 N ATOM 1472 CA ILE B 15 2.780 2.126 12.318 1.00 0.00 C ATOM 1473 C ILE B 15 2.717 1.001 11.289 1.00 0.00 C ATOM 1474 O ILE B 15 1.647 0.449 11.031 1.00 0.00 O ATOM 1475 CB ILE B 15 2.966 3.478 11.593 1.00 0.00 C ATOM 1476 CG1 ILE B 15 2.949 4.625 12.607 1.00 0.00 C ATOM 1477 CG2 ILE B 15 1.879 3.677 10.542 1.00 0.00 C ATOM 1478 CD1 ILE B 15 3.267 5.977 12.004 1.00 0.00 C ATOM 0 H ILE B 15 4.581 2.592 13.286 1.00 0.00 H new ATOM 0 HA ILE B 15 1.842 2.156 12.873 1.00 0.00 H new ATOM 0 HB ILE B 15 3.932 3.473 11.087 1.00 0.00 H new ATOM 0 HG12 ILE B 15 1.966 4.669 13.076 1.00 0.00 H new ATOM 0 HG13 ILE B 15 3.670 4.411 13.396 1.00 0.00 H new ATOM 0 HG21 ILE B 15 2.027 4.634 10.042 1.00 0.00 H new ATOM 0 HG22 ILE B 15 1.931 2.873 9.808 1.00 0.00 H new ATOM 0 HG23 ILE B 15 0.901 3.666 11.023 1.00 0.00 H new ATOM 0 HD11 ILE B 15 3.236 6.739 12.783 1.00 0.00 H new ATOM 0 HD12 ILE B 15 4.262 5.952 11.560 1.00 0.00 H new ATOM 0 HD13 ILE B 15 2.532 6.214 11.235 1.00 0.00 H new ATOM 1490 N ILE B 16 3.868 0.655 10.717 1.00 0.00 N ATOM 1491 CA ILE B 16 3.945 -0.429 9.741 1.00 0.00 C ATOM 1492 C ILE B 16 3.449 -1.737 10.354 1.00 0.00 C ATOM 1493 O ILE B 16 2.674 -2.477 9.742 1.00 0.00 O ATOM 1494 CB ILE B 16 5.390 -0.619 9.222 1.00 0.00 C ATOM 1495 CG1 ILE B 16 5.897 0.676 8.582 1.00 0.00 C ATOM 1496 CG2 ILE B 16 5.456 -1.767 8.220 1.00 0.00 C ATOM 1497 CD1 ILE B 16 7.331 0.602 8.102 1.00 0.00 C ATOM 0 H ILE B 16 4.760 1.110 10.913 1.00 0.00 H new ATOM 0 HA ILE B 16 3.307 -0.157 8.900 1.00 0.00 H new ATOM 0 HB ILE B 16 6.031 -0.866 10.069 1.00 0.00 H new ATOM 0 HG12 ILE B 16 5.254 0.929 7.739 1.00 0.00 H new ATOM 0 HG13 ILE B 16 5.808 1.487 9.305 1.00 0.00 H new ATOM 0 HG21 ILE B 16 6.481 -1.884 7.867 1.00 0.00 H new ATOM 0 HG22 ILE B 16 5.131 -2.689 8.701 1.00 0.00 H new ATOM 0 HG23 ILE B 16 4.804 -1.550 7.374 1.00 0.00 H new ATOM 0 HD11 ILE B 16 7.617 1.557 7.661 1.00 0.00 H new ATOM 0 HD12 ILE B 16 7.986 0.381 8.945 1.00 0.00 H new ATOM 0 HD13 ILE B 16 7.424 -0.185 7.354 1.00 0.00 H new ATOM 1509 N GLN B 17 3.885 -1.998 11.580 1.00 0.00 N ATOM 1510 CA GLN B 17 3.477 -3.192 12.308 1.00 0.00 C ATOM 1511 C GLN B 17 1.977 -3.165 12.585 1.00 0.00 C ATOM 1512 O GLN B 17 1.284 -4.165 12.402 1.00 0.00 O ATOM 1513 CB GLN B 17 4.260 -3.290 13.621 1.00 0.00 C ATOM 1514 CG GLN B 17 3.908 -4.492 14.489 1.00 0.00 C ATOM 1515 CD GLN B 17 4.056 -5.816 13.762 1.00 0.00 C ATOM 1516 OE1 GLN B 17 5.144 -6.388 13.708 1.00 0.00 O ATOM 1517 NE2 GLN B 17 2.957 -6.329 13.231 1.00 0.00 N ATOM 0 H GLN B 17 4.526 -1.393 12.094 1.00 0.00 H new ATOM 0 HA GLN B 17 3.695 -4.068 11.697 1.00 0.00 H new ATOM 0 HB2 GLN B 17 5.325 -3.326 13.390 1.00 0.00 H new ATOM 0 HB3 GLN B 17 4.089 -2.381 14.198 1.00 0.00 H new ATOM 0 HG2 GLN B 17 4.548 -4.495 15.371 1.00 0.00 H new ATOM 0 HG3 GLN B 17 2.881 -4.390 14.841 1.00 0.00 H new ATOM 0 HE21 GLN B 17 2.074 -5.823 13.298 1.00 0.00 H new ATOM 0 HE22 GLN B 17 2.993 -7.231 12.755 1.00 0.00 H new ATOM 1526 N ASP B 18 1.486 -2.008 13.006 1.00 0.00 N ATOM 1527 CA ASP B 18 0.080 -1.838 13.364 1.00 0.00 C ATOM 1528 C ASP B 18 -0.821 -2.126 12.169 1.00 0.00 C ATOM 1529 O ASP B 18 -1.842 -2.795 12.300 1.00 0.00 O ATOM 1530 CB ASP B 18 -0.161 -0.415 13.870 1.00 0.00 C ATOM 1531 CG ASP B 18 -1.351 -0.317 14.797 1.00 0.00 C ATOM 1532 OD1 ASP B 18 -1.178 -0.571 16.007 1.00 0.00 O ATOM 1533 OD2 ASP B 18 -2.449 0.054 14.340 1.00 0.00 O ATOM 0 H ASP B 18 2.046 -1.162 13.110 1.00 0.00 H new ATOM 0 HA ASP B 18 -0.162 -2.547 14.156 1.00 0.00 H new ATOM 0 HB2 ASP B 18 0.730 -0.064 14.391 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -0.314 0.248 13.018 1.00 0.00 H new ATOM 1538 N LEU B 19 -0.425 -1.630 11.000 1.00 0.00 N ATOM 1539 CA LEU B 19 -1.156 -1.896 9.762 1.00 0.00 C ATOM 1540 C LEU B 19 -1.226 -3.396 9.500 1.00 0.00 C ATOM 1541 O LEU B 19 -2.278 -3.936 9.129 1.00 0.00 O ATOM 1542 CB LEU B 19 -0.480 -1.194 8.581 1.00 0.00 C ATOM 1543 CG LEU B 19 -0.472 0.334 8.647 1.00 0.00 C ATOM 1544 CD1 LEU B 19 0.392 0.912 7.537 1.00 0.00 C ATOM 1545 CD2 LEU B 19 -1.889 0.875 8.551 1.00 0.00 C ATOM 0 H LEU B 19 0.399 -1.041 10.883 1.00 0.00 H new ATOM 0 HA LEU B 19 -2.169 -1.507 9.871 1.00 0.00 H new ATOM 0 HB2 LEU B 19 0.550 -1.544 8.513 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -0.982 -1.499 7.663 1.00 0.00 H new ATOM 0 HG LEU B 19 -0.049 0.635 9.605 1.00 0.00 H new ATOM 0 HD11 LEU B 19 0.385 2.000 7.600 1.00 0.00 H new ATOM 0 HD12 LEU B 19 1.414 0.548 7.645 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -0.003 0.602 6.570 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -1.867 1.964 8.599 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -2.334 0.563 7.606 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -2.483 0.487 9.378 1.00 0.00 H new ATOM 1557 N LEU B 20 -0.101 -4.071 9.713 1.00 0.00 N ATOM 1558 CA LEU B 20 -0.037 -5.515 9.564 1.00 0.00 C ATOM 1559 C LEU B 20 -0.993 -6.186 10.543 1.00 0.00 C ATOM 1560 O LEU B 20 -1.751 -7.069 10.164 1.00 0.00 O ATOM 1561 CB LEU B 20 1.391 -6.022 9.787 1.00 0.00 C ATOM 1562 CG LEU B 20 2.432 -5.500 8.792 1.00 0.00 C ATOM 1563 CD1 LEU B 20 3.815 -6.021 9.151 1.00 0.00 C ATOM 1564 CD2 LEU B 20 2.066 -5.905 7.371 1.00 0.00 C ATOM 0 H LEU B 20 0.779 -3.637 9.990 1.00 0.00 H new ATOM 0 HA LEU B 20 -0.335 -5.769 8.547 1.00 0.00 H new ATOM 0 HB2 LEU B 20 1.704 -5.746 10.794 1.00 0.00 H new ATOM 0 HB3 LEU B 20 1.384 -7.111 9.743 1.00 0.00 H new ATOM 0 HG LEU B 20 2.444 -4.411 8.847 1.00 0.00 H new ATOM 0 HD11 LEU B 20 4.544 -5.642 8.435 1.00 0.00 H new ATOM 0 HD12 LEU B 20 4.082 -5.685 10.153 1.00 0.00 H new ATOM 0 HD13 LEU B 20 3.812 -7.111 9.123 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.818 -5.525 6.679 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.026 -6.992 7.301 1.00 0.00 H new ATOM 0 HD23 LEU B 20 1.092 -5.489 7.113 1.00 0.00 H new ATOM 1576 N ASP B 21 -0.973 -5.735 11.794 1.00 0.00 N ATOM 1577 CA ASP B 21 -1.860 -6.275 12.824 1.00 0.00 C ATOM 1578 C ASP B 21 -3.322 -6.163 12.408 1.00 0.00 C ATOM 1579 O ASP B 21 -4.127 -7.052 12.695 1.00 0.00 O ATOM 1580 CB ASP B 21 -1.657 -5.557 14.160 1.00 0.00 C ATOM 1581 CG ASP B 21 -0.428 -6.030 14.906 1.00 0.00 C ATOM 1582 OD1 ASP B 21 -0.501 -7.083 15.574 1.00 0.00 O ATOM 1583 OD2 ASP B 21 0.610 -5.347 14.849 1.00 0.00 O ATOM 0 H ASP B 21 -0.351 -4.995 12.121 1.00 0.00 H new ATOM 0 HA ASP B 21 -1.606 -7.328 12.944 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -1.576 -4.485 13.981 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -2.536 -5.710 14.786 1.00 0.00 H new ATOM 1588 N VAL B 22 -3.653 -5.082 11.711 1.00 0.00 N ATOM 1589 CA VAL B 22 -5.011 -4.860 11.248 1.00 0.00 C ATOM 1590 C VAL B 22 -5.414 -5.939 10.257 1.00 0.00 C ATOM 1591 O VAL B 22 -6.476 -6.546 10.385 1.00 0.00 O ATOM 1592 CB VAL B 22 -5.170 -3.471 10.590 1.00 0.00 C ATOM 1593 CG1 VAL B 22 -6.557 -3.308 9.985 1.00 0.00 C ATOM 1594 CG2 VAL B 22 -4.903 -2.373 11.604 1.00 0.00 C ATOM 0 H VAL B 22 -2.995 -4.346 11.455 1.00 0.00 H new ATOM 0 HA VAL B 22 -5.663 -4.901 12.121 1.00 0.00 H new ATOM 0 HB VAL B 22 -4.439 -3.392 9.785 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -6.641 -2.322 9.529 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -6.715 -4.074 9.226 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -7.309 -3.412 10.767 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -5.019 -1.400 11.126 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -5.611 -2.459 12.428 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -3.887 -2.471 11.987 1.00 0.00 H new ATOM 1604 N LEU B 23 -4.547 -6.203 9.290 1.00 0.00 N ATOM 1605 CA LEU B 23 -4.851 -7.195 8.270 1.00 0.00 C ATOM 1606 C LEU B 23 -4.640 -8.617 8.795 1.00 0.00 C ATOM 1607 O LEU B 23 -5.122 -9.583 8.204 1.00 0.00 O ATOM 1608 CB LEU B 23 -4.042 -6.929 6.990 1.00 0.00 C ATOM 1609 CG LEU B 23 -2.510 -7.004 7.089 1.00 0.00 C ATOM 1610 CD1 LEU B 23 -2.017 -8.443 7.144 1.00 0.00 C ATOM 1611 CD2 LEU B 23 -1.891 -6.292 5.902 1.00 0.00 C ATOM 0 H LEU B 23 -3.638 -5.750 9.191 1.00 0.00 H new ATOM 0 HA LEU B 23 -5.907 -7.105 8.014 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -4.365 -7.644 6.233 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -4.307 -5.937 6.625 1.00 0.00 H new ATOM 0 HG LEU B 23 -2.208 -6.516 8.016 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -0.929 -8.453 7.214 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -2.441 -8.940 8.017 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -2.327 -8.969 6.241 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -0.805 -6.345 5.972 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -2.219 -6.770 4.979 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -2.204 -5.248 5.900 1.00 0.00 H new ATOM 1623 N VAL B 24 -3.920 -8.735 9.904 1.00 0.00 N ATOM 1624 CA VAL B 24 -3.718 -10.026 10.552 1.00 0.00 C ATOM 1625 C VAL B 24 -5.007 -10.503 11.214 1.00 0.00 C ATOM 1626 O VAL B 24 -5.351 -11.682 11.135 1.00 0.00 O ATOM 1627 CB VAL B 24 -2.572 -9.971 11.596 1.00 0.00 C ATOM 1628 CG1 VAL B 24 -2.609 -11.176 12.528 1.00 0.00 C ATOM 1629 CG2 VAL B 24 -1.221 -9.905 10.897 1.00 0.00 C ATOM 0 H VAL B 24 -3.466 -7.952 10.374 1.00 0.00 H new ATOM 0 HA VAL B 24 -3.432 -10.737 9.777 1.00 0.00 H new ATOM 0 HB VAL B 24 -2.715 -9.071 12.194 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -1.792 -11.105 13.247 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -3.560 -11.195 13.060 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -2.501 -12.090 11.945 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -0.427 -9.867 11.643 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -1.091 -10.789 10.273 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -1.177 -9.012 10.274 1.00 0.00 H new ATOM 1639 N LYS B 25 -5.734 -9.583 11.839 1.00 0.00 N ATOM 1640 CA LYS B 25 -6.981 -9.942 12.503 1.00 0.00 C ATOM 1641 C LYS B 25 -8.079 -10.193 11.468 1.00 0.00 C ATOM 1642 O LYS B 25 -9.052 -10.899 11.735 1.00 0.00 O ATOM 1643 CB LYS B 25 -7.400 -8.858 13.507 1.00 0.00 C ATOM 1644 CG LYS B 25 -8.133 -7.671 12.901 1.00 0.00 C ATOM 1645 CD LYS B 25 -8.348 -6.573 13.932 1.00 0.00 C ATOM 1646 CE LYS B 25 -9.604 -5.762 13.650 1.00 0.00 C ATOM 1647 NZ LYS B 25 -9.608 -5.160 12.293 1.00 0.00 N ATOM 0 H LYS B 25 -5.485 -8.596 11.900 1.00 0.00 H new ATOM 0 HA LYS B 25 -6.823 -10.864 13.063 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -8.039 -9.312 14.264 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -6.509 -8.493 14.018 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -7.561 -7.278 12.061 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -9.096 -7.997 12.507 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -8.419 -7.017 14.925 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -7.483 -5.910 13.941 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -10.478 -6.404 13.760 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -9.694 -4.970 14.394 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -10.462 -4.578 12.174 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -8.764 -4.564 12.175 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -9.601 -5.915 11.578 1.00 0.00 H new ATOM 1661 N GLU B 26 -7.906 -9.615 10.279 1.00 0.00 N ATOM 1662 CA GLU B 26 -8.812 -9.864 9.165 1.00 0.00 C ATOM 1663 C GLU B 26 -8.411 -11.145 8.446 1.00 0.00 C ATOM 1664 O GLU B 26 -9.233 -11.786 7.790 1.00 0.00 O ATOM 1665 CB GLU B 26 -8.784 -8.706 8.163 1.00 0.00 C ATOM 1666 CG GLU B 26 -9.084 -7.348 8.775 1.00 0.00 C ATOM 1667 CD GLU B 26 -10.408 -7.309 9.509 1.00 0.00 C ATOM 1668 OE1 GLU B 26 -11.464 -7.416 8.857 1.00 0.00 O ATOM 1669 OE2 GLU B 26 -10.392 -7.178 10.751 1.00 0.00 O ATOM 0 H GLU B 26 -7.145 -8.971 10.066 1.00 0.00 H new ATOM 0 HA GLU B 26 -9.820 -9.960 9.569 1.00 0.00 H new ATOM 0 HB2 GLU B 26 -7.802 -8.671 7.692 1.00 0.00 H new ATOM 0 HB3 GLU B 26 -9.509 -8.905 7.374 1.00 0.00 H new ATOM 0 HG2 GLU B 26 -8.284 -7.082 9.466 1.00 0.00 H new ATOM 0 HG3 GLU B 26 -9.089 -6.594 7.988 1.00 0.00 H new ATOM 1676 N GLU B 27 -7.135 -11.503 8.588 1.00 0.00 N ATOM 1677 CA GLU B 27 -6.557 -12.655 7.907 1.00 0.00 C ATOM 1678 C GLU B 27 -6.705 -12.492 6.397 1.00 0.00 C ATOM 1679 O GLU B 27 -7.380 -13.287 5.733 1.00 0.00 O ATOM 1680 CB GLU B 27 -7.211 -13.958 8.380 1.00 0.00 C ATOM 1681 CG GLU B 27 -7.114 -14.176 9.882 1.00 0.00 C ATOM 1682 CD GLU B 27 -7.944 -15.349 10.351 1.00 0.00 C ATOM 1683 OE1 GLU B 27 -9.174 -15.327 10.135 1.00 0.00 O ATOM 1684 OE2 GLU B 27 -7.377 -16.294 10.938 1.00 0.00 O ATOM 0 H GLU B 27 -6.474 -11.000 9.180 1.00 0.00 H new ATOM 0 HA GLU B 27 -5.497 -12.709 8.153 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -8.261 -13.954 8.089 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -6.741 -14.798 7.868 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -6.072 -14.340 10.156 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -7.441 -13.274 10.399 1.00 0.00 H new ATOM 1691 N VAL B 28 -6.098 -11.438 5.862 1.00 0.00 N ATOM 1692 CA VAL B 28 -6.196 -11.151 4.440 1.00 0.00 C ATOM 1693 C VAL B 28 -5.304 -12.082 3.624 1.00 0.00 C ATOM 1694 O VAL B 28 -4.265 -12.544 4.096 1.00 0.00 O ATOM 1695 CB VAL B 28 -5.825 -9.685 4.124 1.00 0.00 C ATOM 1696 CG1 VAL B 28 -6.728 -8.728 4.886 1.00 0.00 C ATOM 1697 CG2 VAL B 28 -4.363 -9.408 4.441 1.00 0.00 C ATOM 0 H VAL B 28 -5.535 -10.772 6.391 1.00 0.00 H new ATOM 0 HA VAL B 28 -7.237 -11.316 4.162 1.00 0.00 H new ATOM 0 HB VAL B 28 -5.973 -9.524 3.056 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -6.451 -7.701 4.650 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -7.765 -8.899 4.598 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -6.616 -8.897 5.957 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -4.131 -8.369 4.209 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -4.179 -9.593 5.499 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -3.730 -10.064 3.843 1.00 0.00 H new ATOM 1707 N THR B 29 -5.735 -12.371 2.409 1.00 0.00 N ATOM 1708 CA THR B 29 -4.940 -13.146 1.473 1.00 0.00 C ATOM 1709 C THR B 29 -4.070 -12.203 0.646 1.00 0.00 C ATOM 1710 O THR B 29 -4.279 -10.991 0.688 1.00 0.00 O ATOM 1711 CB THR B 29 -5.854 -13.962 0.540 1.00 0.00 C ATOM 1712 OG1 THR B 29 -6.836 -13.099 -0.047 1.00 0.00 O ATOM 1713 CG2 THR B 29 -6.546 -15.086 1.298 1.00 0.00 C ATOM 0 H THR B 29 -6.641 -12.077 2.045 1.00 0.00 H new ATOM 0 HA THR B 29 -4.307 -13.836 2.031 1.00 0.00 H new ATOM 0 HB THR B 29 -5.238 -14.406 -0.242 1.00 0.00 H new ATOM 0 HG1 THR B 29 -7.415 -13.620 -0.642 1.00 0.00 H new ATOM 0 HG21 THR B 29 -7.185 -15.646 0.615 1.00 0.00 H new ATOM 0 HG22 THR B 29 -5.796 -15.754 1.723 1.00 0.00 H new ATOM 0 HG23 THR B 29 -7.153 -14.665 2.099 1.00 0.00 H new ATOM 1721 N PRO B 30 -3.085 -12.724 -0.109 1.00 0.00 N ATOM 1722 CA PRO B 30 -2.237 -11.893 -0.977 1.00 0.00 C ATOM 1723 C PRO B 30 -3.067 -10.984 -1.885 1.00 0.00 C ATOM 1724 O PRO B 30 -2.804 -9.786 -1.992 1.00 0.00 O ATOM 1725 CB PRO B 30 -1.465 -12.920 -1.806 1.00 0.00 C ATOM 1726 CG PRO B 30 -1.417 -14.137 -0.949 1.00 0.00 C ATOM 1727 CD PRO B 30 -2.705 -14.150 -0.172 1.00 0.00 C ATOM 0 HA PRO B 30 -1.595 -11.222 -0.407 1.00 0.00 H new ATOM 0 HB2 PRO B 30 -1.966 -13.122 -2.753 1.00 0.00 H new ATOM 0 HB3 PRO B 30 -0.463 -12.564 -2.045 1.00 0.00 H new ATOM 0 HG2 PRO B 30 -1.318 -15.037 -1.556 1.00 0.00 H new ATOM 0 HG3 PRO B 30 -0.558 -14.108 -0.279 1.00 0.00 H new ATOM 0 HD2 PRO B 30 -3.468 -14.747 -0.671 1.00 0.00 H new ATOM 0 HD3 PRO B 30 -2.569 -14.573 0.823 1.00 0.00 H new ATOM 1735 N ASP B 31 -4.082 -11.570 -2.517 1.00 0.00 N ATOM 1736 CA ASP B 31 -4.980 -10.833 -3.406 1.00 0.00 C ATOM 1737 C ASP B 31 -5.684 -9.715 -2.650 1.00 0.00 C ATOM 1738 O ASP B 31 -5.748 -8.575 -3.110 1.00 0.00 O ATOM 1739 CB ASP B 31 -6.039 -11.772 -3.994 1.00 0.00 C ATOM 1740 CG ASP B 31 -5.450 -13.007 -4.639 1.00 0.00 C ATOM 1741 OD1 ASP B 31 -5.128 -13.964 -3.904 1.00 0.00 O ATOM 1742 OD2 ASP B 31 -5.329 -13.037 -5.879 1.00 0.00 O ATOM 0 H ASP B 31 -4.305 -12.561 -2.429 1.00 0.00 H new ATOM 0 HA ASP B 31 -4.379 -10.407 -4.209 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -6.725 -12.075 -3.203 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -6.626 -11.228 -4.734 1.00 0.00 H new ATOM 1747 N LEU B 32 -6.202 -10.055 -1.476 1.00 0.00 N ATOM 1748 CA LEU B 32 -6.983 -9.120 -0.679 1.00 0.00 C ATOM 1749 C LEU B 32 -6.099 -8.011 -0.114 1.00 0.00 C ATOM 1750 O LEU B 32 -6.498 -6.847 -0.081 1.00 0.00 O ATOM 1751 CB LEU B 32 -7.698 -9.869 0.450 1.00 0.00 C ATOM 1752 CG LEU B 32 -8.621 -9.021 1.331 1.00 0.00 C ATOM 1753 CD1 LEU B 32 -9.701 -8.356 0.492 1.00 0.00 C ATOM 1754 CD2 LEU B 32 -9.250 -9.886 2.413 1.00 0.00 C ATOM 0 H LEU B 32 -6.094 -10.977 -1.054 1.00 0.00 H new ATOM 0 HA LEU B 32 -7.729 -8.654 -1.323 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -8.286 -10.675 0.011 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -6.945 -10.334 1.087 1.00 0.00 H new ATOM 0 HG LEU B 32 -8.027 -8.240 1.805 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.346 -7.758 1.136 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -9.237 -7.712 -0.255 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -10.296 -9.121 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -9.904 -9.274 3.034 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -9.831 -10.683 1.949 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -8.466 -10.322 3.032 1.00 0.00 H new ATOM 1766 N ALA B 33 -4.897 -8.379 0.315 1.00 0.00 N ATOM 1767 CA ALA B 33 -3.950 -7.422 0.874 1.00 0.00 C ATOM 1768 C ALA B 33 -3.612 -6.337 -0.137 1.00 0.00 C ATOM 1769 O ALA B 33 -3.713 -5.150 0.160 1.00 0.00 O ATOM 1770 CB ALA B 33 -2.684 -8.133 1.330 1.00 0.00 C ATOM 0 H ALA B 33 -4.554 -9.339 0.286 1.00 0.00 H new ATOM 0 HA ALA B 33 -4.417 -6.948 1.738 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -1.987 -7.405 1.745 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -2.935 -8.870 2.093 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -2.222 -8.634 0.480 1.00 0.00 H new ATOM 1776 N LEU B 34 -3.238 -6.750 -1.340 1.00 0.00 N ATOM 1777 CA LEU B 34 -2.865 -5.807 -2.387 1.00 0.00 C ATOM 1778 C LEU B 34 -4.043 -4.916 -2.766 1.00 0.00 C ATOM 1779 O LEU B 34 -3.887 -3.711 -2.955 1.00 0.00 O ATOM 1780 CB LEU B 34 -2.358 -6.551 -3.625 1.00 0.00 C ATOM 1781 CG LEU B 34 -1.122 -7.426 -3.401 1.00 0.00 C ATOM 1782 CD1 LEU B 34 -0.721 -8.121 -4.694 1.00 0.00 C ATOM 1783 CD2 LEU B 34 0.032 -6.591 -2.865 1.00 0.00 C ATOM 0 H LEU B 34 -3.185 -7.731 -1.616 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.065 -5.177 -1.998 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.163 -7.179 -4.007 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.130 -5.820 -4.400 1.00 0.00 H new ATOM 0 HG LEU B 34 -1.368 -8.188 -2.662 1.00 0.00 H new ATOM 0 HD11 LEU B 34 0.159 -8.739 -4.517 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -1.542 -8.749 -5.039 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -0.493 -7.373 -5.453 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.902 -7.229 -2.712 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.278 -5.808 -3.582 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.257 -6.137 -1.917 1.00 0.00 H new ATOM 1795 N MET B 35 -5.224 -5.512 -2.846 1.00 0.00 N ATOM 1796 CA MET B 35 -6.414 -4.794 -3.283 1.00 0.00 C ATOM 1797 C MET B 35 -6.826 -3.712 -2.281 1.00 0.00 C ATOM 1798 O MET B 35 -7.200 -2.607 -2.676 1.00 0.00 O ATOM 1799 CB MET B 35 -7.563 -5.776 -3.516 1.00 0.00 C ATOM 1800 CG MET B 35 -8.834 -5.122 -4.038 1.00 0.00 C ATOM 1801 SD MET B 35 -10.067 -6.329 -4.566 1.00 0.00 S ATOM 1802 CE MET B 35 -10.265 -7.289 -3.069 1.00 0.00 C ATOM 0 H MET B 35 -5.384 -6.492 -2.614 1.00 0.00 H new ATOM 0 HA MET B 35 -6.176 -4.293 -4.221 1.00 0.00 H new ATOM 0 HB2 MET B 35 -7.239 -6.537 -4.226 1.00 0.00 H new ATOM 0 HB3 MET B 35 -7.787 -6.287 -2.580 1.00 0.00 H new ATOM 0 HG2 MET B 35 -9.260 -4.490 -3.259 1.00 0.00 H new ATOM 0 HG3 MET B 35 -8.586 -4.471 -4.876 1.00 0.00 H new ATOM 0 HE1 MET B 35 -11.269 -7.711 -3.038 1.00 0.00 H new ATOM 0 HE2 MET B 35 -9.532 -8.095 -3.054 1.00 0.00 H new ATOM 0 HE3 MET B 35 -10.115 -6.646 -2.202 1.00 0.00 H new ATOM 1812 N CYS B 36 -6.749 -4.019 -0.989 1.00 0.00 N ATOM 1813 CA CYS B 36 -7.139 -3.051 0.033 1.00 0.00 C ATOM 1814 C CYS B 36 -6.059 -1.988 0.215 1.00 0.00 C ATOM 1815 O CYS B 36 -6.362 -0.795 0.295 1.00 0.00 O ATOM 1816 CB CYS B 36 -7.449 -3.746 1.366 1.00 0.00 C ATOM 1817 SG CYS B 36 -6.116 -4.785 2.007 1.00 0.00 S ATOM 0 H CYS B 36 -6.425 -4.916 -0.628 1.00 0.00 H new ATOM 0 HA CYS B 36 -8.050 -2.557 -0.306 1.00 0.00 H new ATOM 0 HB2 CYS B 36 -7.687 -2.985 2.109 1.00 0.00 H new ATOM 0 HB3 CYS B 36 -8.341 -4.360 1.241 1.00 0.00 H new ATOM 0 HG CYS B 36 -6.141 -5.940 1.411 1.00 0.00 H new ATOM 1823 N LEU B 37 -4.800 -2.416 0.254 1.00 0.00 N ATOM 1824 CA LEU B 37 -3.680 -1.491 0.407 1.00 0.00 C ATOM 1825 C LEU B 37 -3.601 -0.525 -0.771 1.00 0.00 C ATOM 1826 O LEU B 37 -3.364 0.666 -0.588 1.00 0.00 O ATOM 1827 CB LEU B 37 -2.361 -2.256 0.555 1.00 0.00 C ATOM 1828 CG LEU B 37 -2.207 -3.030 1.869 1.00 0.00 C ATOM 1829 CD1 LEU B 37 -0.963 -3.902 1.840 1.00 0.00 C ATOM 1830 CD2 LEU B 37 -2.151 -2.067 3.044 1.00 0.00 C ATOM 0 H LEU B 37 -4.530 -3.397 0.182 1.00 0.00 H new ATOM 0 HA LEU B 37 -3.850 -0.911 1.314 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.269 -2.956 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.536 -1.549 0.468 1.00 0.00 H new ATOM 0 HG LEU B 37 -3.075 -3.679 1.988 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -0.875 -4.442 2.783 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -1.038 -4.615 1.019 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -0.083 -3.275 1.697 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -2.042 -2.630 3.971 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.300 -1.396 2.924 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -3.071 -1.484 3.080 1.00 0.00 H new ATOM 1842 N GLY B 38 -3.823 -1.043 -1.975 1.00 0.00 N ATOM 1843 CA GLY B 38 -3.790 -0.212 -3.165 1.00 0.00 C ATOM 1844 C GLY B 38 -4.804 0.916 -3.118 1.00 0.00 C ATOM 1845 O GLY B 38 -4.491 2.061 -3.452 1.00 0.00 O ATOM 0 H GLY B 38 -4.026 -2.028 -2.148 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -2.791 0.207 -3.283 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -3.981 -0.831 -4.041 1.00 0.00 H new ATOM 1849 N ASN B 39 -6.016 0.600 -2.677 1.00 0.00 N ATOM 1850 CA ASN B 39 -7.082 1.598 -2.596 1.00 0.00 C ATOM 1851 C ASN B 39 -6.846 2.567 -1.441 1.00 0.00 C ATOM 1852 O ASN B 39 -7.340 3.694 -1.453 1.00 0.00 O ATOM 1853 CB ASN B 39 -8.451 0.933 -2.449 1.00 0.00 C ATOM 1854 CG ASN B 39 -9.020 0.455 -3.773 1.00 0.00 C ATOM 1855 OD1 ASN B 39 -9.692 1.208 -4.480 1.00 0.00 O ATOM 1856 ND2 ASN B 39 -8.766 -0.800 -4.117 1.00 0.00 N ATOM 0 H ASN B 39 -6.287 -0.334 -2.371 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.068 2.162 -3.529 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -8.367 0.086 -1.768 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -9.146 1.639 -1.994 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -9.131 -1.172 -4.994 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -8.205 -1.393 -3.505 1.00 0.00 H new ATOM 1863 N ALA B 40 -6.087 2.131 -0.448 1.00 0.00 N ATOM 1864 CA ALA B 40 -5.728 2.999 0.662 1.00 0.00 C ATOM 1865 C ALA B 40 -4.737 4.059 0.203 1.00 0.00 C ATOM 1866 O ALA B 40 -4.752 5.190 0.685 1.00 0.00 O ATOM 1867 CB ALA B 40 -5.145 2.187 1.810 1.00 0.00 C ATOM 0 H ALA B 40 -5.709 1.185 -0.388 1.00 0.00 H new ATOM 0 HA ALA B 40 -6.630 3.496 1.018 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -4.883 2.854 2.631 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -5.882 1.461 2.154 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -4.252 1.663 1.469 1.00 0.00 H new ATOM 1873 N VAL B 41 -3.895 3.694 -0.757 1.00 0.00 N ATOM 1874 CA VAL B 41 -2.859 4.593 -1.245 1.00 0.00 C ATOM 1875 C VAL B 41 -3.449 5.639 -2.182 1.00 0.00 C ATOM 1876 O VAL B 41 -3.158 6.830 -2.059 1.00 0.00 O ATOM 1877 CB VAL B 41 -1.738 3.823 -1.973 1.00 0.00 C ATOM 1878 CG1 VAL B 41 -0.668 4.776 -2.483 1.00 0.00 C ATOM 1879 CG2 VAL B 41 -1.127 2.779 -1.053 1.00 0.00 C ATOM 0 H VAL B 41 -3.910 2.781 -1.212 1.00 0.00 H new ATOM 0 HA VAL B 41 -2.429 5.090 -0.376 1.00 0.00 H new ATOM 0 HB VAL B 41 -2.177 3.315 -2.832 1.00 0.00 H new ATOM 0 HG11 VAL B 41 0.111 4.209 -2.992 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -1.115 5.486 -3.179 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -0.233 5.317 -1.643 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -0.338 2.245 -1.582 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -0.707 3.269 -0.174 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -1.897 2.073 -0.742 1.00 0.00 H new ATOM 1889 N THR B 42 -4.294 5.193 -3.106 1.00 0.00 N ATOM 1890 CA THR B 42 -4.927 6.098 -4.057 1.00 0.00 C ATOM 1891 C THR B 42 -5.775 7.146 -3.333 1.00 0.00 C ATOM 1892 O THR B 42 -5.850 8.297 -3.761 1.00 0.00 O ATOM 1893 CB THR B 42 -5.792 5.334 -5.091 1.00 0.00 C ATOM 1894 OG1 THR B 42 -6.415 6.252 -5.999 1.00 0.00 O ATOM 1895 CG2 THR B 42 -6.868 4.497 -4.419 1.00 0.00 C ATOM 0 H THR B 42 -4.555 4.213 -3.216 1.00 0.00 H new ATOM 0 HA THR B 42 -4.127 6.604 -4.598 1.00 0.00 H new ATOM 0 HB THR B 42 -5.123 4.667 -5.636 1.00 0.00 H new ATOM 0 HG1 THR B 42 -6.258 5.958 -6.921 1.00 0.00 H new ATOM 0 HG21 THR B 42 -7.452 3.978 -5.179 1.00 0.00 H new ATOM 0 HG22 THR B 42 -6.401 3.767 -3.758 1.00 0.00 H new ATOM 0 HG23 THR B 42 -7.523 5.146 -3.838 1.00 0.00 H new ATOM 1903 N ASN B 43 -6.378 6.752 -2.215 1.00 0.00 N ATOM 1904 CA ASN B 43 -7.197 7.664 -1.424 1.00 0.00 C ATOM 1905 C ASN B 43 -6.341 8.790 -0.848 1.00 0.00 C ATOM 1906 O ASN B 43 -6.803 9.918 -0.697 1.00 0.00 O ATOM 1907 CB ASN B 43 -7.895 6.911 -0.289 1.00 0.00 C ATOM 1908 CG ASN B 43 -8.884 7.782 0.467 1.00 0.00 C ATOM 1909 OD1 ASN B 43 -9.536 8.652 -0.111 1.00 0.00 O ATOM 1910 ND2 ASN B 43 -8.993 7.565 1.769 1.00 0.00 N ATOM 0 H ASN B 43 -6.315 5.807 -1.837 1.00 0.00 H new ATOM 0 HA ASN B 43 -7.954 8.096 -2.079 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -8.417 6.046 -0.699 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.145 6.532 0.405 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -9.634 8.128 2.328 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -8.436 6.835 2.213 1.00 0.00 H new ATOM 1917 N ILE B 44 -5.089 8.478 -0.539 1.00 0.00 N ATOM 1918 CA ILE B 44 -4.174 9.458 0.034 1.00 0.00 C ATOM 1919 C ILE B 44 -3.609 10.372 -1.051 1.00 0.00 C ATOM 1920 O ILE B 44 -3.628 11.597 -0.918 1.00 0.00 O ATOM 1921 CB ILE B 44 -3.009 8.770 0.786 1.00 0.00 C ATOM 1922 CG1 ILE B 44 -3.547 7.893 1.924 1.00 0.00 C ATOM 1923 CG2 ILE B 44 -2.025 9.799 1.329 1.00 0.00 C ATOM 1924 CD1 ILE B 44 -4.360 8.651 2.957 1.00 0.00 C ATOM 0 H ILE B 44 -4.683 7.552 -0.676 1.00 0.00 H new ATOM 0 HA ILE B 44 -4.744 10.055 0.746 1.00 0.00 H new ATOM 0 HB ILE B 44 -2.479 8.135 0.076 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -4.166 7.103 1.498 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -2.708 7.407 2.422 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -1.217 9.289 1.853 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -1.613 10.379 0.503 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -2.540 10.466 2.020 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -4.704 7.961 3.727 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -3.740 9.423 3.412 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -5.221 9.114 2.474 1.00 0.00 H new ATOM 1936 N ILE B 45 -3.135 9.772 -2.136 1.00 0.00 N ATOM 1937 CA ILE B 45 -2.495 10.524 -3.212 1.00 0.00 C ATOM 1938 C ILE B 45 -3.496 11.433 -3.934 1.00 0.00 C ATOM 1939 O ILE B 45 -3.128 12.492 -4.449 1.00 0.00 O ATOM 1940 CB ILE B 45 -1.811 9.578 -4.230 1.00 0.00 C ATOM 1941 CG1 ILE B 45 -0.793 8.685 -3.519 1.00 0.00 C ATOM 1942 CG2 ILE B 45 -1.125 10.376 -5.327 1.00 0.00 C ATOM 1943 CD1 ILE B 45 -0.083 7.715 -4.443 1.00 0.00 C ATOM 0 H ILE B 45 -3.181 8.766 -2.296 1.00 0.00 H new ATOM 0 HA ILE B 45 -1.731 11.150 -2.752 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.578 8.951 -4.685 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -0.051 9.315 -3.028 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -1.301 8.122 -2.736 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.651 9.693 -6.032 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.863 10.983 -5.851 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -0.369 11.025 -4.886 1.00 0.00 H new ATOM 0 HD11 ILE B 45 0.623 7.116 -3.868 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -0.815 7.060 -4.915 1.00 0.00 H new ATOM 0 HD13 ILE B 45 0.454 8.271 -5.211 1.00 0.00 H new ATOM 1955 N ALA B 46 -4.764 11.035 -3.946 1.00 0.00 N ATOM 1956 CA ALA B 46 -5.806 11.819 -4.604 1.00 0.00 C ATOM 1957 C ALA B 46 -6.089 13.124 -3.857 1.00 0.00 C ATOM 1958 O ALA B 46 -6.766 14.011 -4.380 1.00 0.00 O ATOM 1959 CB ALA B 46 -7.081 11.004 -4.740 1.00 0.00 C ATOM 0 H ALA B 46 -5.096 10.175 -3.508 1.00 0.00 H new ATOM 0 HA ALA B 46 -5.442 12.077 -5.599 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -7.846 11.604 -5.232 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -6.881 10.112 -5.334 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -7.432 10.710 -3.751 1.00 0.00 H new ATOM 1965 N GLN B 47 -5.572 13.235 -2.637 1.00 0.00 N ATOM 1966 CA GLN B 47 -5.743 14.444 -1.841 1.00 0.00 C ATOM 1967 C GLN B 47 -4.582 15.402 -2.090 1.00 0.00 C ATOM 1968 O GLN B 47 -4.633 16.577 -1.729 1.00 0.00 O ATOM 1969 CB GLN B 47 -5.841 14.097 -0.353 1.00 0.00 C ATOM 1970 CG GLN B 47 -6.879 13.026 -0.058 1.00 0.00 C ATOM 1971 CD GLN B 47 -7.011 12.708 1.419 1.00 0.00 C ATOM 1972 OE1 GLN B 47 -6.830 13.572 2.275 1.00 0.00 O ATOM 1973 NE2 GLN B 47 -7.316 11.458 1.726 1.00 0.00 N ATOM 0 H GLN B 47 -5.031 12.502 -2.179 1.00 0.00 H new ATOM 0 HA GLN B 47 -6.671 14.932 -2.140 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -4.867 13.758 -0.000 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -6.087 14.998 0.209 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -7.846 13.353 -0.440 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -6.615 12.116 -0.596 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -7.458 10.771 0.985 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -7.409 11.181 2.703 1.00 0.00 H new ATOM 1982 N VAL B 48 -3.537 14.882 -2.718 1.00 0.00 N ATOM 1983 CA VAL B 48 -2.369 15.679 -3.069 1.00 0.00 C ATOM 1984 C VAL B 48 -2.642 16.447 -4.359 1.00 0.00 C ATOM 1985 O VAL B 48 -3.181 15.876 -5.305 1.00 0.00 O ATOM 1986 CB VAL B 48 -1.125 14.778 -3.256 1.00 0.00 C ATOM 1987 CG1 VAL B 48 0.121 15.603 -3.551 1.00 0.00 C ATOM 1988 CG2 VAL B 48 -0.910 13.905 -2.030 1.00 0.00 C ATOM 0 H VAL B 48 -3.474 13.903 -2.997 1.00 0.00 H new ATOM 0 HA VAL B 48 -2.171 16.379 -2.258 1.00 0.00 H new ATOM 0 HB VAL B 48 -1.307 14.134 -4.116 1.00 0.00 H new ATOM 0 HG11 VAL B 48 0.976 14.939 -3.677 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -0.030 16.176 -4.465 1.00 0.00 H new ATOM 0 HG13 VAL B 48 0.310 16.285 -2.722 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -0.031 13.278 -2.179 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -0.760 14.537 -1.155 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -1.784 13.273 -1.876 1.00 0.00 H new ATOM 1998 N PRO B 49 -2.314 17.752 -4.401 1.00 0.00 N ATOM 1999 CA PRO B 49 -2.488 18.585 -5.600 1.00 0.00 C ATOM 2000 C PRO B 49 -1.965 17.907 -6.868 1.00 0.00 C ATOM 2001 O PRO B 49 -0.831 17.424 -6.907 1.00 0.00 O ATOM 2002 CB PRO B 49 -1.668 19.831 -5.275 1.00 0.00 C ATOM 2003 CG PRO B 49 -1.740 19.943 -3.792 1.00 0.00 C ATOM 2004 CD PRO B 49 -1.761 18.530 -3.273 1.00 0.00 C ATOM 0 HA PRO B 49 -3.538 18.789 -5.810 1.00 0.00 H new ATOM 0 HB2 PRO B 49 -0.638 19.729 -5.617 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -2.079 20.716 -5.761 1.00 0.00 H new ATOM 0 HG2 PRO B 49 -0.883 20.491 -3.399 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -2.634 20.486 -3.484 1.00 0.00 H new ATOM 0 HD2 PRO B 49 -0.762 18.188 -3.002 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -2.382 18.440 -2.382 1.00 0.00 H new ATOM 2012 N GLU B 50 -2.804 17.897 -7.901 1.00 0.00 N ATOM 2013 CA GLU B 50 -2.535 17.179 -9.147 1.00 0.00 C ATOM 2014 C GLU B 50 -1.223 17.617 -9.786 1.00 0.00 C ATOM 2015 O GLU B 50 -0.539 16.814 -10.422 1.00 0.00 O ATOM 2016 CB GLU B 50 -3.685 17.406 -10.126 1.00 0.00 C ATOM 2017 CG GLU B 50 -5.046 17.252 -9.479 1.00 0.00 C ATOM 2018 CD GLU B 50 -6.184 17.265 -10.474 1.00 0.00 C ATOM 2019 OE1 GLU B 50 -6.439 18.327 -11.075 1.00 0.00 O ATOM 2020 OE2 GLU B 50 -6.855 16.222 -10.635 1.00 0.00 O ATOM 0 H GLU B 50 -3.697 18.390 -7.898 1.00 0.00 H new ATOM 0 HA GLU B 50 -2.448 16.119 -8.908 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -3.601 18.406 -10.552 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -3.598 16.699 -10.951 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -5.072 16.317 -8.920 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -5.192 18.057 -8.759 1.00 0.00 H new ATOM 2027 N SER B 51 -0.873 18.883 -9.591 1.00 0.00 N ATOM 2028 CA SER B 51 0.338 19.455 -10.167 1.00 0.00 C ATOM 2029 C SER B 51 1.585 18.662 -9.754 1.00 0.00 C ATOM 2030 O SER B 51 2.573 18.621 -10.489 1.00 0.00 O ATOM 2031 CB SER B 51 0.469 20.922 -9.742 1.00 0.00 C ATOM 2032 OG SER B 51 1.541 21.561 -10.415 1.00 0.00 O ATOM 0 H SER B 51 -1.418 19.539 -9.032 1.00 0.00 H new ATOM 0 HA SER B 51 0.260 19.400 -11.253 1.00 0.00 H new ATOM 0 HB2 SER B 51 -0.462 21.449 -9.954 1.00 0.00 H new ATOM 0 HB3 SER B 51 0.628 20.978 -8.665 1.00 0.00 H new ATOM 0 HG SER B 51 1.599 22.495 -10.125 1.00 0.00 H new ATOM 2038 N LYS B 52 1.536 18.026 -8.587 1.00 0.00 N ATOM 2039 CA LYS B 52 2.653 17.208 -8.123 1.00 0.00 C ATOM 2040 C LYS B 52 2.190 15.792 -7.794 1.00 0.00 C ATOM 2041 O LYS B 52 2.976 14.962 -7.336 1.00 0.00 O ATOM 2042 CB LYS B 52 3.332 17.837 -6.899 1.00 0.00 C ATOM 2043 CG LYS B 52 2.403 18.074 -5.717 1.00 0.00 C ATOM 2044 CD LYS B 52 1.819 19.481 -5.716 1.00 0.00 C ATOM 2045 CE LYS B 52 2.764 20.500 -5.082 1.00 0.00 C ATOM 2046 NZ LYS B 52 3.955 20.802 -5.923 1.00 0.00 N ATOM 0 H LYS B 52 0.741 18.060 -7.949 1.00 0.00 H new ATOM 0 HA LYS B 52 3.381 17.159 -8.932 1.00 0.00 H new ATOM 0 HB2 LYS B 52 4.149 17.190 -6.579 1.00 0.00 H new ATOM 0 HB3 LYS B 52 3.775 18.788 -7.193 1.00 0.00 H new ATOM 0 HG2 LYS B 52 1.592 17.346 -5.743 1.00 0.00 H new ATOM 0 HG3 LYS B 52 2.950 17.909 -4.789 1.00 0.00 H new ATOM 0 HD2 LYS B 52 1.599 19.781 -6.740 1.00 0.00 H new ATOM 0 HD3 LYS B 52 0.873 19.479 -5.174 1.00 0.00 H new ATOM 0 HE2 LYS B 52 2.217 21.424 -4.894 1.00 0.00 H new ATOM 0 HE3 LYS B 52 3.097 20.124 -4.115 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 4.387 21.693 -5.605 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 4.647 20.031 -5.835 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 3.664 20.894 -6.917 1.00 0.00 H new ATOM 2060 N ARG B 53 0.917 15.515 -8.055 1.00 0.00 N ATOM 2061 CA ARG B 53 0.338 14.213 -7.753 1.00 0.00 C ATOM 2062 C ARG B 53 0.998 13.129 -8.599 1.00 0.00 C ATOM 2063 O ARG B 53 1.205 12.007 -8.139 1.00 0.00 O ATOM 2064 CB ARG B 53 -1.172 14.239 -8.005 1.00 0.00 C ATOM 2065 CG ARG B 53 -1.876 12.934 -7.677 1.00 0.00 C ATOM 2066 CD ARG B 53 -3.365 13.015 -7.976 1.00 0.00 C ATOM 2067 NE ARG B 53 -4.051 13.994 -7.135 1.00 0.00 N ATOM 2068 CZ ARG B 53 -5.173 14.617 -7.483 1.00 0.00 C ATOM 2069 NH1 ARG B 53 -5.754 14.342 -8.645 1.00 0.00 N ATOM 2070 NH2 ARG B 53 -5.714 15.513 -6.670 1.00 0.00 N ATOM 0 H ARG B 53 0.266 16.177 -8.476 1.00 0.00 H new ATOM 0 HA ARG B 53 0.515 13.986 -6.702 1.00 0.00 H new ATOM 0 HB2 ARG B 53 -1.615 15.038 -7.411 1.00 0.00 H new ATOM 0 HB3 ARG B 53 -1.351 14.483 -9.052 1.00 0.00 H new ATOM 0 HG2 ARG B 53 -1.431 12.124 -8.255 1.00 0.00 H new ATOM 0 HG3 ARG B 53 -1.728 12.694 -6.624 1.00 0.00 H new ATOM 0 HD2 ARG B 53 -3.508 13.277 -9.024 1.00 0.00 H new ATOM 0 HD3 ARG B 53 -3.816 12.034 -7.828 1.00 0.00 H new ATOM 0 HE ARG B 53 -3.644 14.213 -6.226 1.00 0.00 H new ATOM 0 HH11 ARG B 53 -5.340 13.652 -9.272 1.00 0.00 H new ATOM 0 HH12 ARG B 53 -6.615 14.821 -8.911 1.00 0.00 H new ATOM 0 HH21 ARG B 53 -5.270 15.725 -5.777 1.00 0.00 H new ATOM 0 HH22 ARG B 53 -6.575 15.991 -6.938 1.00 0.00 H new ATOM 2084 N VAL B 54 1.346 13.483 -9.830 1.00 0.00 N ATOM 2085 CA VAL B 54 1.990 12.548 -10.744 1.00 0.00 C ATOM 2086 C VAL B 54 3.361 12.131 -10.215 1.00 0.00 C ATOM 2087 O VAL B 54 3.780 10.984 -10.373 1.00 0.00 O ATOM 2088 CB VAL B 54 2.146 13.162 -12.152 1.00 0.00 C ATOM 2089 CG1 VAL B 54 2.760 12.162 -13.120 1.00 0.00 C ATOM 2090 CG2 VAL B 54 0.804 13.653 -12.676 1.00 0.00 C ATOM 0 H VAL B 54 1.193 14.413 -10.219 1.00 0.00 H new ATOM 0 HA VAL B 54 1.351 11.668 -10.815 1.00 0.00 H new ATOM 0 HB VAL B 54 2.820 14.015 -12.072 1.00 0.00 H new ATOM 0 HG11 VAL B 54 2.858 12.621 -14.104 1.00 0.00 H new ATOM 0 HG12 VAL B 54 3.744 11.863 -12.759 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.118 11.284 -13.192 1.00 0.00 H new ATOM 0 HG21 VAL B 54 0.936 14.082 -13.669 1.00 0.00 H new ATOM 0 HG22 VAL B 54 0.107 12.817 -12.732 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.406 14.412 -12.003 1.00 0.00 H new ATOM 2100 N ALA B 55 4.039 13.062 -9.558 1.00 0.00 N ATOM 2101 CA ALA B 55 5.379 12.817 -9.048 1.00 0.00 C ATOM 2102 C ALA B 55 5.354 11.861 -7.858 1.00 0.00 C ATOM 2103 O ALA B 55 6.115 10.894 -7.813 1.00 0.00 O ATOM 2104 CB ALA B 55 6.045 14.130 -8.663 1.00 0.00 C ATOM 0 H ALA B 55 3.680 13.997 -9.366 1.00 0.00 H new ATOM 0 HA ALA B 55 5.960 12.346 -9.841 1.00 0.00 H new ATOM 0 HB1 ALA B 55 7.047 13.932 -8.283 1.00 0.00 H new ATOM 0 HB2 ALA B 55 6.110 14.775 -9.539 1.00 0.00 H new ATOM 0 HB3 ALA B 55 5.455 14.624 -7.891 1.00 0.00 H new ATOM 2110 N VAL B 56 4.468 12.122 -6.903 1.00 0.00 N ATOM 2111 CA VAL B 56 4.403 11.318 -5.687 1.00 0.00 C ATOM 2112 C VAL B 56 3.919 9.894 -5.971 1.00 0.00 C ATOM 2113 O VAL B 56 4.415 8.939 -5.371 1.00 0.00 O ATOM 2114 CB VAL B 56 3.516 11.974 -4.601 1.00 0.00 C ATOM 2115 CG1 VAL B 56 4.130 13.286 -4.135 1.00 0.00 C ATOM 2116 CG2 VAL B 56 2.099 12.207 -5.104 1.00 0.00 C ATOM 0 H VAL B 56 3.787 12.881 -6.946 1.00 0.00 H new ATOM 0 HA VAL B 56 5.422 11.264 -5.304 1.00 0.00 H new ATOM 0 HB VAL B 56 3.463 11.286 -3.757 1.00 0.00 H new ATOM 0 HG11 VAL B 56 3.494 13.734 -3.372 1.00 0.00 H new ATOM 0 HG12 VAL B 56 5.119 13.097 -3.718 1.00 0.00 H new ATOM 0 HG13 VAL B 56 4.217 13.968 -4.981 1.00 0.00 H new ATOM 0 HG21 VAL B 56 1.504 12.669 -4.316 1.00 0.00 H new ATOM 0 HG22 VAL B 56 2.125 12.866 -5.972 1.00 0.00 H new ATOM 0 HG23 VAL B 56 1.651 11.254 -5.385 1.00 0.00 H new ATOM 2126 N VAL B 57 2.977 9.742 -6.900 1.00 0.00 N ATOM 2127 CA VAL B 57 2.474 8.417 -7.246 1.00 0.00 C ATOM 2128 C VAL B 57 3.533 7.617 -8.004 1.00 0.00 C ATOM 2129 O VAL B 57 3.657 6.401 -7.826 1.00 0.00 O ATOM 2130 CB VAL B 57 1.165 8.478 -8.073 1.00 0.00 C ATOM 2131 CG1 VAL B 57 1.375 9.174 -9.409 1.00 0.00 C ATOM 2132 CG2 VAL B 57 0.607 7.081 -8.289 1.00 0.00 C ATOM 0 H VAL B 57 2.552 10.510 -7.420 1.00 0.00 H new ATOM 0 HA VAL B 57 2.245 7.914 -6.306 1.00 0.00 H new ATOM 0 HB VAL B 57 0.444 9.064 -7.503 1.00 0.00 H new ATOM 0 HG11 VAL B 57 0.434 9.197 -9.959 1.00 0.00 H new ATOM 0 HG12 VAL B 57 1.720 10.194 -9.238 1.00 0.00 H new ATOM 0 HG13 VAL B 57 2.121 8.631 -9.989 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -0.312 7.142 -8.872 1.00 0.00 H new ATOM 0 HG22 VAL B 57 1.338 6.477 -8.827 1.00 0.00 H new ATOM 0 HG23 VAL B 57 0.395 6.621 -7.324 1.00 0.00 H new ATOM 2142 N ASP B 58 4.312 8.302 -8.830 1.00 0.00 N ATOM 2143 CA ASP B 58 5.368 7.651 -9.592 1.00 0.00 C ATOM 2144 C ASP B 58 6.482 7.215 -8.657 1.00 0.00 C ATOM 2145 O ASP B 58 6.960 6.091 -8.732 1.00 0.00 O ATOM 2146 CB ASP B 58 5.921 8.587 -10.662 1.00 0.00 C ATOM 2147 CG ASP B 58 6.917 7.902 -11.570 1.00 0.00 C ATOM 2148 OD1 ASP B 58 6.483 7.275 -12.566 1.00 0.00 O ATOM 2149 OD2 ASP B 58 8.131 7.985 -11.298 1.00 0.00 O ATOM 0 H ASP B 58 4.233 9.306 -8.989 1.00 0.00 H new ATOM 0 HA ASP B 58 4.948 6.776 -10.087 1.00 0.00 H new ATOM 0 HB2 ASP B 58 5.097 8.977 -11.260 1.00 0.00 H new ATOM 0 HB3 ASP B 58 6.399 9.441 -10.182 1.00 0.00 H new ATOM 2154 N ASN B 59 6.869 8.113 -7.764 1.00 0.00 N ATOM 2155 CA ASN B 59 7.870 7.816 -6.746 1.00 0.00 C ATOM 2156 C ASN B 59 7.448 6.626 -5.895 1.00 0.00 C ATOM 2157 O ASN B 59 8.254 5.736 -5.621 1.00 0.00 O ATOM 2158 CB ASN B 59 8.090 9.045 -5.865 1.00 0.00 C ATOM 2159 CG ASN B 59 8.836 8.740 -4.580 1.00 0.00 C ATOM 2160 OD1 ASN B 59 10.064 8.698 -4.554 1.00 0.00 O ATOM 2161 ND2 ASN B 59 8.095 8.565 -3.495 1.00 0.00 N ATOM 0 H ASN B 59 6.502 9.064 -7.723 1.00 0.00 H new ATOM 0 HA ASN B 59 8.804 7.558 -7.245 1.00 0.00 H new ATOM 0 HB2 ASN B 59 8.646 9.793 -6.430 1.00 0.00 H new ATOM 0 HB3 ASN B 59 7.123 9.485 -5.619 1.00 0.00 H new ATOM 0 HD21 ASN B 59 8.542 8.388 -2.595 1.00 0.00 H new ATOM 0 HD22 ASN B 59 7.078 8.608 -3.560 1.00 0.00 H new ATOM 2168 N PHE B 60 6.183 6.618 -5.487 1.00 0.00 N ATOM 2169 CA PHE B 60 5.637 5.529 -4.687 1.00 0.00 C ATOM 2170 C PHE B 60 5.800 4.202 -5.409 1.00 0.00 C ATOM 2171 O PHE B 60 6.371 3.254 -4.875 1.00 0.00 O ATOM 2172 CB PHE B 60 4.153 5.770 -4.399 1.00 0.00 C ATOM 2173 CG PHE B 60 3.516 4.689 -3.571 1.00 0.00 C ATOM 2174 CD1 PHE B 60 3.766 4.597 -2.213 1.00 0.00 C ATOM 2175 CD2 PHE B 60 2.664 3.767 -4.158 1.00 0.00 C ATOM 2176 CE1 PHE B 60 3.178 3.605 -1.455 1.00 0.00 C ATOM 2177 CE2 PHE B 60 2.076 2.773 -3.404 1.00 0.00 C ATOM 2178 CZ PHE B 60 2.332 2.692 -2.051 1.00 0.00 C ATOM 0 H PHE B 60 5.514 7.358 -5.699 1.00 0.00 H new ATOM 0 HA PHE B 60 6.186 5.494 -3.746 1.00 0.00 H new ATOM 0 HB2 PHE B 60 4.042 6.724 -3.883 1.00 0.00 H new ATOM 0 HB3 PHE B 60 3.617 5.855 -5.345 1.00 0.00 H new ATOM 0 HD1 PHE B 60 4.428 5.309 -1.742 1.00 0.00 H new ATOM 0 HD2 PHE B 60 2.458 3.827 -5.217 1.00 0.00 H new ATOM 0 HE1 PHE B 60 3.380 3.543 -0.396 1.00 0.00 H new ATOM 0 HE2 PHE B 60 1.416 2.058 -3.873 1.00 0.00 H new ATOM 0 HZ PHE B 60 1.871 1.915 -1.459 1.00 0.00 H new ATOM 2188 N THR B 61 5.305 4.151 -6.635 1.00 0.00 N ATOM 2189 CA THR B 61 5.335 2.931 -7.415 1.00 0.00 C ATOM 2190 C THR B 61 6.760 2.551 -7.807 1.00 0.00 C ATOM 2191 O THR B 61 7.097 1.368 -7.857 1.00 0.00 O ATOM 2192 CB THR B 61 4.448 3.058 -8.663 1.00 0.00 C ATOM 2193 OG1 THR B 61 4.664 4.326 -9.292 1.00 0.00 O ATOM 2194 CG2 THR B 61 2.979 2.906 -8.289 1.00 0.00 C ATOM 0 H THR B 61 4.877 4.945 -7.110 1.00 0.00 H new ATOM 0 HA THR B 61 4.938 2.132 -6.788 1.00 0.00 H new ATOM 0 HB THR B 61 4.714 2.264 -9.361 1.00 0.00 H new ATOM 0 HG1 THR B 61 4.165 5.019 -8.811 1.00 0.00 H new ATOM 0 HG21 THR B 61 2.364 2.999 -9.184 1.00 0.00 H new ATOM 0 HG22 THR B 61 2.818 1.927 -7.838 1.00 0.00 H new ATOM 0 HG23 THR B 61 2.702 3.684 -7.577 1.00 0.00 H new ATOM 2202 N LYS B 62 7.592 3.552 -8.076 1.00 0.00 N ATOM 2203 CA LYS B 62 9.006 3.319 -8.347 1.00 0.00 C ATOM 2204 C LYS B 62 9.674 2.675 -7.139 1.00 0.00 C ATOM 2205 O LYS B 62 10.288 1.611 -7.253 1.00 0.00 O ATOM 2206 CB LYS B 62 9.716 4.632 -8.693 1.00 0.00 C ATOM 2207 CG LYS B 62 11.210 4.469 -8.927 1.00 0.00 C ATOM 2208 CD LYS B 62 11.918 5.812 -9.010 1.00 0.00 C ATOM 2209 CE LYS B 62 11.696 6.640 -7.753 1.00 0.00 C ATOM 2210 NZ LYS B 62 12.549 7.854 -7.737 1.00 0.00 N ATOM 0 H LYS B 62 7.312 4.532 -8.112 1.00 0.00 H new ATOM 0 HA LYS B 62 9.083 2.646 -9.201 1.00 0.00 H new ATOM 0 HB2 LYS B 62 9.260 5.058 -9.587 1.00 0.00 H new ATOM 0 HB3 LYS B 62 9.558 5.345 -7.884 1.00 0.00 H new ATOM 0 HG2 LYS B 62 11.642 3.879 -8.119 1.00 0.00 H new ATOM 0 HG3 LYS B 62 11.375 3.913 -9.850 1.00 0.00 H new ATOM 0 HD2 LYS B 62 12.986 5.652 -9.158 1.00 0.00 H new ATOM 0 HD3 LYS B 62 11.555 6.362 -9.878 1.00 0.00 H new ATOM 0 HE2 LYS B 62 10.648 6.931 -7.690 1.00 0.00 H new ATOM 0 HE3 LYS B 62 11.912 6.032 -6.874 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 12.370 8.393 -6.866 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 13.550 7.575 -7.772 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 12.325 8.446 -8.562 1.00 0.00 H new ATOM 2224 N ALA B 63 9.541 3.318 -5.983 1.00 0.00 N ATOM 2225 CA ALA B 63 10.131 2.809 -4.750 1.00 0.00 C ATOM 2226 C ALA B 63 9.584 1.429 -4.398 1.00 0.00 C ATOM 2227 O ALA B 63 10.296 0.592 -3.844 1.00 0.00 O ATOM 2228 CB ALA B 63 9.884 3.779 -3.607 1.00 0.00 C ATOM 0 H ALA B 63 9.029 4.194 -5.875 1.00 0.00 H new ATOM 0 HA ALA B 63 11.205 2.713 -4.910 1.00 0.00 H new ATOM 0 HB1 ALA B 63 10.330 3.386 -2.693 1.00 0.00 H new ATOM 0 HB2 ALA B 63 10.334 4.743 -3.844 1.00 0.00 H new ATOM 0 HB3 ALA B 63 8.811 3.905 -3.462 1.00 0.00 H new ATOM 2234 N LEU B 64 8.319 1.202 -4.724 1.00 0.00 N ATOM 2235 CA LEU B 64 7.674 -0.077 -4.461 1.00 0.00 C ATOM 2236 C LEU B 64 8.310 -1.180 -5.308 1.00 0.00 C ATOM 2237 O LEU B 64 8.675 -2.233 -4.788 1.00 0.00 O ATOM 2238 CB LEU B 64 6.173 0.027 -4.748 1.00 0.00 C ATOM 2239 CG LEU B 64 5.251 -0.647 -3.725 1.00 0.00 C ATOM 2240 CD1 LEU B 64 3.826 -0.160 -3.909 1.00 0.00 C ATOM 2241 CD2 LEU B 64 5.297 -2.162 -3.855 1.00 0.00 C ATOM 0 H LEU B 64 7.716 1.891 -5.174 1.00 0.00 H new ATOM 0 HA LEU B 64 7.812 -0.333 -3.411 1.00 0.00 H new ATOM 0 HB2 LEU B 64 5.906 1.082 -4.810 1.00 0.00 H new ATOM 0 HB3 LEU B 64 5.978 -0.409 -5.728 1.00 0.00 H new ATOM 0 HG LEU B 64 5.602 -0.379 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU B 64 3.179 -0.644 -3.178 1.00 0.00 H new ATOM 0 HD12 LEU B 64 3.789 0.920 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU B 64 3.485 -0.405 -4.915 1.00 0.00 H new ATOM 0 HD21 LEU B 64 4.633 -2.611 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU B 64 4.975 -2.451 -4.855 1.00 0.00 H new ATOM 0 HD23 LEU B 64 6.316 -2.511 -3.686 1.00 0.00 H new ATOM 2253 N LYS B 65 8.456 -0.930 -6.613 1.00 0.00 N ATOM 2254 CA LYS B 65 9.130 -1.881 -7.502 1.00 0.00 C ATOM 2255 C LYS B 65 10.546 -2.147 -6.996 1.00 0.00 C ATOM 2256 O LYS B 65 10.990 -3.295 -6.914 1.00 0.00 O ATOM 2257 CB LYS B 65 9.217 -1.345 -8.940 1.00 0.00 C ATOM 2258 CG LYS B 65 7.881 -1.050 -9.612 1.00 0.00 C ATOM 2259 CD LYS B 65 8.108 -0.525 -11.025 1.00 0.00 C ATOM 2260 CE LYS B 65 6.861 0.110 -11.629 1.00 0.00 C ATOM 2261 NZ LYS B 65 5.785 -0.877 -11.917 1.00 0.00 N ATOM 0 H LYS B 65 8.120 -0.085 -7.074 1.00 0.00 H new ATOM 0 HA LYS B 65 8.545 -2.800 -7.505 1.00 0.00 H new ATOM 0 HB2 LYS B 65 9.810 -0.431 -8.933 1.00 0.00 H new ATOM 0 HB3 LYS B 65 9.757 -2.071 -9.548 1.00 0.00 H new ATOM 0 HG2 LYS B 65 7.275 -1.955 -9.645 1.00 0.00 H new ATOM 0 HG3 LYS B 65 7.326 -0.316 -9.028 1.00 0.00 H new ATOM 0 HD2 LYS B 65 8.913 0.210 -11.009 1.00 0.00 H new ATOM 0 HD3 LYS B 65 8.438 -1.345 -11.663 1.00 0.00 H new ATOM 0 HE2 LYS B 65 6.478 0.867 -10.945 1.00 0.00 H new ATOM 0 HE3 LYS B 65 7.132 0.623 -12.552 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 5.078 -0.446 -12.547 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 6.196 -1.714 -12.378 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 5.328 -1.162 -11.027 1.00 0.00 H new ATOM 2275 N GLN B 66 11.237 -1.066 -6.649 1.00 0.00 N ATOM 2276 CA GLN B 66 12.619 -1.129 -6.187 1.00 0.00 C ATOM 2277 C GLN B 66 12.755 -2.030 -4.963 1.00 0.00 C ATOM 2278 O GLN B 66 13.603 -2.922 -4.928 1.00 0.00 O ATOM 2279 CB GLN B 66 13.113 0.281 -5.849 1.00 0.00 C ATOM 2280 CG GLN B 66 14.583 0.353 -5.473 1.00 0.00 C ATOM 2281 CD GLN B 66 14.988 1.729 -4.978 1.00 0.00 C ATOM 2282 OE1 GLN B 66 15.366 2.599 -5.760 1.00 0.00 O ATOM 2283 NE2 GLN B 66 14.927 1.929 -3.672 1.00 0.00 N ATOM 0 H GLN B 66 10.854 -0.121 -6.680 1.00 0.00 H new ATOM 0 HA GLN B 66 13.226 -1.552 -6.987 1.00 0.00 H new ATOM 0 HB2 GLN B 66 12.937 0.931 -6.706 1.00 0.00 H new ATOM 0 HB3 GLN B 66 12.519 0.674 -5.024 1.00 0.00 H new ATOM 0 HG2 GLN B 66 14.794 -0.385 -4.699 1.00 0.00 H new ATOM 0 HG3 GLN B 66 15.190 0.088 -6.339 1.00 0.00 H new ATOM 0 HE21 GLN B 66 14.608 1.181 -3.056 1.00 0.00 H new ATOM 0 HE22 GLN B 66 15.199 2.831 -3.281 1.00 0.00 H new ATOM 2292 N SER B 67 11.900 -1.804 -3.975 1.00 0.00 N ATOM 2293 CA SER B 67 11.986 -2.512 -2.706 1.00 0.00 C ATOM 2294 C SER B 67 11.645 -3.994 -2.860 1.00 0.00 C ATOM 2295 O SER B 67 12.288 -4.848 -2.250 1.00 0.00 O ATOM 2296 CB SER B 67 11.060 -1.854 -1.682 1.00 0.00 C ATOM 2297 OG SER B 67 11.369 -0.476 -1.542 1.00 0.00 O ATOM 0 H SER B 67 11.135 -1.132 -4.029 1.00 0.00 H new ATOM 0 HA SER B 67 13.016 -2.451 -2.354 1.00 0.00 H new ATOM 0 HB2 SER B 67 10.022 -1.970 -1.995 1.00 0.00 H new ATOM 0 HB3 SER B 67 11.160 -2.354 -0.719 1.00 0.00 H new ATOM 0 HG SER B 67 10.949 0.029 -2.269 1.00 0.00 H new ATOM 2303 N VAL B 68 10.650 -4.299 -3.684 1.00 0.00 N ATOM 2304 CA VAL B 68 10.226 -5.679 -3.881 1.00 0.00 C ATOM 2305 C VAL B 68 11.304 -6.491 -4.593 1.00 0.00 C ATOM 2306 O VAL B 68 11.619 -7.610 -4.186 1.00 0.00 O ATOM 2307 CB VAL B 68 8.902 -5.761 -4.671 1.00 0.00 C ATOM 2308 CG1 VAL B 68 8.554 -7.205 -5.009 1.00 0.00 C ATOM 2309 CG2 VAL B 68 7.775 -5.121 -3.875 1.00 0.00 C ATOM 0 H VAL B 68 10.124 -3.612 -4.224 1.00 0.00 H new ATOM 0 HA VAL B 68 10.062 -6.104 -2.891 1.00 0.00 H new ATOM 0 HB VAL B 68 9.031 -5.216 -5.606 1.00 0.00 H new ATOM 0 HG11 VAL B 68 7.617 -7.233 -5.565 1.00 0.00 H new ATOM 0 HG12 VAL B 68 9.349 -7.638 -5.616 1.00 0.00 H new ATOM 0 HG13 VAL B 68 8.446 -7.778 -4.088 1.00 0.00 H new ATOM 0 HG21 VAL B 68 6.847 -5.185 -4.443 1.00 0.00 H new ATOM 0 HG22 VAL B 68 7.657 -5.644 -2.926 1.00 0.00 H new ATOM 0 HG23 VAL B 68 8.013 -4.074 -3.685 1.00 0.00 H new