USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 680 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 67 LYS NZ :NH3+ -166:sc= 1.57 (180deg=1.03) USER MOD Set 1.2: A 87 CYS SG : rot -37:sc= -5.08! USER MOD Set 2.1: A 7 MET CE :methyl -152:sc= 0 (180deg=-0.177) USER MOD Set 2.2: A 40 SER OG : rot 180:sc= -0.775 USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= -2.32! USER MOD Set 3.2: A 19 SER OG : rot -120:sc= -1.87! USER MOD Set 4.1: A 9 GLN : amide:sc= -0.271 K(o=-1.4,f=-6.5!) USER MOD Set 4.2: A 85 ASN : amide:sc= -1.09 K(o=-1.4,f=-6.2!) USER MOD Single : A 13 MET CE :methyl -167:sc= -0.0543 (180deg=-0.443) USER MOD Single : A 15 THR OG1 : rot -116:sc= -0.681 USER MOD Single : A 23 THR OG1 : rot -52:sc= 0.615 USER MOD Single : A 24 HIS : no HD1:sc= 0.713 K(o=0.71,f=-3.6!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0403 X(o=-0.04,f=-0.49) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 58:sc= 0.0768 USER MOD Single : A 36 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.0027) USER MOD Single : A 37 GLN : amide:sc= 0.707 K(o=0.71,f=-1.2) USER MOD Single : A 39 ASN : amide:sc= -4.57! K(o=-4.6!,f=-2) USER MOD Single : A 45 GLN : amide:sc= -0.711 K(o=-0.71,f=0) USER MOD Single : A 49 GLN : amide:sc= -2.22! K(o=-2.2!,f=-0.77) USER MOD Single : A 55 THR OG1 : rot 90:sc= -0.524 USER MOD Single : A 62 GLN : amide:sc= -6.94! C(o=-6.9!,f=-3.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -162:sc= -1.12 (180deg=-2.44!) USER MOD Single : A 70 SER OG : rot 28:sc= 0.522 USER MOD Single : A 76 THR OG1 : rot -134:sc= -1.98 USER MOD Single : A 79 SER OG : rot -49:sc= 1.23 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.865 K(o=-0.86,f=-1.4) USER MOD Single : A 90 MET CE :methyl 146:sc= -0.0258 (180deg=-1.51) USER MOD Single : A 95 LYS NZ :NH3+ 160:sc= -1.23! (180deg=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 96 N MET A 7 11.796 6.264 -2.127 1.00 0.32 N ATOM 97 CA MET A 7 12.162 5.170 -1.240 1.00 0.29 C ATOM 98 C MET A 7 12.665 5.700 0.096 1.00 0.34 C ATOM 99 O MET A 7 13.589 5.146 0.674 1.00 0.70 O ATOM 100 CB MET A 7 13.190 4.239 -1.890 1.00 0.35 C ATOM 101 CG MET A 7 12.602 2.906 -2.312 1.00 0.30 C ATOM 102 SD MET A 7 13.746 1.910 -3.280 1.00 0.45 S ATOM 103 CE MET A 7 12.727 0.479 -3.632 1.00 1.60 C ATOM 0 HA MET A 7 11.264 4.581 -1.053 1.00 0.29 H new ATOM 0 HB2 MET A 7 13.618 4.733 -2.762 1.00 0.35 H new ATOM 0 HB3 MET A 7 14.007 4.064 -1.190 1.00 0.35 H new ATOM 0 HG2 MET A 7 12.305 2.348 -1.424 1.00 0.30 H new ATOM 0 HG3 MET A 7 11.698 3.082 -2.895 1.00 0.30 H new ATOM 0 HE1 MET A 7 13.362 -0.397 -3.762 1.00 1.60 H new ATOM 0 HE2 MET A 7 12.040 0.309 -2.803 1.00 1.60 H new ATOM 0 HE3 MET A 7 12.158 0.653 -4.545 1.00 1.60 H new ATOM 113 N VAL A 8 12.045 6.794 0.561 1.00 0.31 N ATOM 114 CA VAL A 8 12.316 7.362 1.890 1.00 0.30 C ATOM 115 C VAL A 8 11.215 8.346 2.317 1.00 0.31 C ATOM 116 O VAL A 8 11.392 9.559 2.212 1.00 0.46 O ATOM 117 CB VAL A 8 13.681 8.101 1.970 1.00 0.39 C ATOM 118 CG1 VAL A 8 14.803 7.162 2.386 1.00 1.50 C ATOM 119 CG2 VAL A 8 14.016 8.774 0.646 1.00 1.12 C ATOM 0 H VAL A 8 11.344 7.309 0.029 1.00 0.31 H new ATOM 0 HA VAL A 8 12.342 6.506 2.564 1.00 0.30 H new ATOM 0 HB VAL A 8 13.587 8.871 2.736 1.00 0.39 H new ATOM 0 HG11 VAL A 8 15.742 7.714 2.431 1.00 1.50 H new ATOM 0 HG12 VAL A 8 14.581 6.742 3.367 1.00 1.50 H new ATOM 0 HG13 VAL A 8 14.891 6.355 1.658 1.00 1.50 H new ATOM 0 HG21 VAL A 8 14.976 9.284 0.730 1.00 1.12 H new ATOM 0 HG22 VAL A 8 14.072 8.022 -0.141 1.00 1.12 H new ATOM 0 HG23 VAL A 8 13.240 9.499 0.400 1.00 1.12 H new ATOM 129 N GLN A 9 10.077 7.832 2.798 1.00 0.23 N ATOM 130 CA GLN A 9 9.030 8.706 3.330 1.00 0.24 C ATOM 131 C GLN A 9 8.502 8.255 4.704 1.00 0.26 C ATOM 132 O GLN A 9 8.248 9.093 5.565 1.00 0.38 O ATOM 133 CB GLN A 9 7.886 8.861 2.331 1.00 0.26 C ATOM 134 CG GLN A 9 8.197 9.859 1.226 1.00 0.31 C ATOM 135 CD GLN A 9 7.004 10.150 0.337 1.00 1.15 C ATOM 136 OE1 GLN A 9 6.148 9.292 0.122 1.00 1.97 O ATOM 137 NE2 GLN A 9 6.938 11.364 -0.181 1.00 1.86 N ATOM 0 H GLN A 9 9.861 6.836 2.829 1.00 0.23 H new ATOM 0 HA GLN A 9 9.496 9.679 3.485 1.00 0.24 H new ATOM 0 HB2 GLN A 9 7.665 7.891 1.886 1.00 0.26 H new ATOM 0 HB3 GLN A 9 6.989 9.181 2.861 1.00 0.26 H new ATOM 0 HG2 GLN A 9 8.546 10.790 1.673 1.00 0.31 H new ATOM 0 HG3 GLN A 9 9.013 9.473 0.615 1.00 0.31 H new ATOM 0 HE21 GLN A 9 7.669 12.046 0.023 1.00 1.86 H new ATOM 0 HE22 GLN A 9 6.156 11.619 -0.784 1.00 1.86 H new ATOM 146 N THR A 10 8.334 6.951 4.921 1.00 0.21 N ATOM 147 CA THR A 10 7.880 6.459 6.231 1.00 0.21 C ATOM 148 C THR A 10 8.726 5.271 6.692 1.00 0.21 C ATOM 149 O THR A 10 8.584 4.155 6.192 1.00 0.21 O ATOM 150 CB THR A 10 6.387 6.070 6.205 1.00 0.23 C ATOM 151 OG1 THR A 10 5.604 7.189 5.758 1.00 0.26 O ATOM 152 CG2 THR A 10 5.908 5.647 7.586 1.00 0.28 C ATOM 0 H THR A 10 8.500 6.225 4.225 1.00 0.21 H new ATOM 0 HA THR A 10 8.004 7.275 6.943 1.00 0.21 H new ATOM 0 HB THR A 10 6.267 5.230 5.521 1.00 0.23 H new ATOM 0 HG1 THR A 10 4.656 6.939 5.741 1.00 0.26 H new ATOM 0 HG21 THR A 10 4.853 5.378 7.539 1.00 0.28 H new ATOM 0 HG22 THR A 10 6.486 4.787 7.924 1.00 0.28 H new ATOM 0 HG23 THR A 10 6.041 6.472 8.286 1.00 0.28 H new ATOM 160 N GLU A 11 9.625 5.534 7.630 1.00 0.25 N ATOM 161 CA GLU A 11 10.615 4.552 8.067 1.00 0.28 C ATOM 162 C GLU A 11 10.066 3.571 9.105 1.00 0.25 C ATOM 163 O GLU A 11 9.178 3.903 9.889 1.00 0.40 O ATOM 164 CB GLU A 11 11.824 5.293 8.629 1.00 0.45 C ATOM 165 CG GLU A 11 13.078 4.451 8.732 1.00 0.47 C ATOM 166 CD GLU A 11 14.292 5.304 9.018 1.00 0.70 C ATOM 167 OE1 GLU A 11 14.919 5.796 8.061 1.00 1.15 O ATOM 168 OE2 GLU A 11 14.638 5.459 10.205 1.00 1.50 O ATOM 0 H GLU A 11 9.691 6.431 8.110 1.00 0.25 H new ATOM 0 HA GLU A 11 10.897 3.954 7.201 1.00 0.28 H new ATOM 0 HB2 GLU A 11 12.031 6.157 7.998 1.00 0.45 H new ATOM 0 HB3 GLU A 11 11.574 5.674 9.619 1.00 0.45 H new ATOM 0 HG2 GLU A 11 12.957 3.711 9.523 1.00 0.47 H new ATOM 0 HG3 GLU A 11 13.227 3.903 7.802 1.00 0.47 H new ATOM 175 N GLU A 12 10.621 2.364 9.091 1.00 0.31 N ATOM 176 CA GLU A 12 10.292 1.318 10.055 1.00 0.31 C ATOM 177 C GLU A 12 11.530 0.434 10.215 1.00 0.33 C ATOM 178 O GLU A 12 12.601 0.806 9.735 1.00 0.50 O ATOM 179 CB GLU A 12 9.084 0.504 9.569 1.00 0.38 C ATOM 180 CG GLU A 12 8.098 0.087 10.661 1.00 0.56 C ATOM 181 CD GLU A 12 8.621 -1.019 11.555 1.00 0.89 C ATOM 182 OE1 GLU A 12 9.017 -2.080 11.034 1.00 1.37 O ATOM 183 OE2 GLU A 12 8.621 -0.836 12.791 1.00 1.56 O ATOM 0 H GLU A 12 11.319 2.081 8.403 1.00 0.31 H new ATOM 0 HA GLU A 12 10.018 1.750 11.018 1.00 0.31 H new ATOM 0 HB2 GLU A 12 8.548 1.090 8.822 1.00 0.38 H new ATOM 0 HB3 GLU A 12 9.448 -0.393 9.069 1.00 0.38 H new ATOM 0 HG2 GLU A 12 7.857 0.956 11.274 1.00 0.56 H new ATOM 0 HG3 GLU A 12 7.169 -0.242 10.195 1.00 0.56 H new ATOM 190 N MET A 13 11.413 -0.718 10.861 1.00 0.38 N ATOM 191 CA MET A 13 12.587 -1.536 11.125 1.00 0.46 C ATOM 192 C MET A 13 13.080 -2.241 9.868 1.00 0.40 C ATOM 193 O MET A 13 14.284 -2.296 9.626 1.00 0.49 O ATOM 194 CB MET A 13 12.313 -2.559 12.222 1.00 0.61 C ATOM 195 CG MET A 13 11.894 -1.943 13.547 1.00 0.92 C ATOM 196 SD MET A 13 11.953 -3.127 14.906 1.00 1.76 S ATOM 197 CE MET A 13 10.936 -4.451 14.253 1.00 2.64 C ATOM 0 H MET A 13 10.533 -1.102 11.206 1.00 0.38 H new ATOM 0 HA MET A 13 13.371 -0.860 11.465 1.00 0.46 H new ATOM 0 HB2 MET A 13 11.530 -3.238 11.885 1.00 0.61 H new ATOM 0 HB3 MET A 13 13.210 -3.159 12.379 1.00 0.61 H new ATOM 0 HG2 MET A 13 12.546 -1.100 13.775 1.00 0.92 H new ATOM 0 HG3 MET A 13 10.882 -1.548 13.457 1.00 0.92 H new ATOM 0 HE1 MET A 13 10.686 -5.147 15.054 1.00 2.64 H new ATOM 0 HE2 MET A 13 10.019 -4.034 13.836 1.00 2.64 H new ATOM 0 HE3 MET A 13 11.483 -4.978 13.471 1.00 2.64 H new ATOM 207 N GLU A 14 12.172 -2.767 9.048 1.00 0.30 N ATOM 208 CA GLU A 14 12.605 -3.385 7.804 1.00 0.28 C ATOM 209 C GLU A 14 12.231 -2.533 6.604 1.00 0.31 C ATOM 210 O GLU A 14 12.820 -2.677 5.554 1.00 0.61 O ATOM 211 CB GLU A 14 12.020 -4.786 7.632 1.00 0.33 C ATOM 212 CG GLU A 14 12.576 -5.532 6.418 1.00 0.45 C ATOM 213 CD GLU A 14 14.010 -5.981 6.610 1.00 0.86 C ATOM 214 OE1 GLU A 14 14.926 -5.163 6.418 1.00 1.19 O ATOM 215 OE2 GLU A 14 14.222 -7.166 6.937 1.00 1.33 O ATOM 0 H GLU A 14 11.166 -2.778 9.216 1.00 0.30 H new ATOM 0 HA GLU A 14 13.691 -3.466 7.860 1.00 0.28 H new ATOM 0 HB2 GLU A 14 12.222 -5.369 8.531 1.00 0.33 H new ATOM 0 HB3 GLU A 14 10.937 -4.710 7.538 1.00 0.33 H new ATOM 0 HG2 GLU A 14 11.952 -6.402 6.215 1.00 0.45 H new ATOM 0 HG3 GLU A 14 12.517 -4.886 5.542 1.00 0.45 H new ATOM 222 N THR A 15 11.274 -1.631 6.757 1.00 0.20 N ATOM 223 CA THR A 15 10.885 -0.766 5.650 1.00 0.18 C ATOM 224 C THR A 15 11.976 0.252 5.412 1.00 0.21 C ATOM 225 O THR A 15 12.579 0.753 6.362 1.00 0.30 O ATOM 226 CB THR A 15 9.583 -0.022 5.950 1.00 0.23 C ATOM 227 OG1 THR A 15 8.807 -0.770 6.892 1.00 1.04 O ATOM 228 CG2 THR A 15 8.760 0.182 4.690 1.00 0.90 C ATOM 0 H THR A 15 10.758 -1.478 7.623 1.00 0.20 H new ATOM 0 HA THR A 15 10.733 -1.391 4.770 1.00 0.18 H new ATOM 0 HB THR A 15 9.843 0.954 6.360 1.00 0.23 H new ATOM 0 HG1 THR A 15 7.968 -1.054 6.473 1.00 1.04 H new ATOM 0 HG21 THR A 15 7.841 0.714 4.938 1.00 0.90 H new ATOM 0 HG22 THR A 15 9.334 0.766 3.971 1.00 0.90 H new ATOM 0 HG23 THR A 15 8.513 -0.787 4.256 1.00 0.90 H new ATOM 236 N PRO A 16 12.244 0.600 4.154 1.00 0.21 N ATOM 237 CA PRO A 16 13.326 1.496 3.833 1.00 0.24 C ATOM 238 C PRO A 16 12.836 2.920 3.819 1.00 0.21 C ATOM 239 O PRO A 16 13.105 3.680 2.893 1.00 0.22 O ATOM 240 CB PRO A 16 13.733 1.003 2.463 1.00 0.28 C ATOM 241 CG PRO A 16 12.465 0.558 1.820 1.00 0.26 C ATOM 242 CD PRO A 16 11.510 0.187 2.934 1.00 0.19 C ATOM 0 HA PRO A 16 14.153 1.498 4.543 1.00 0.24 H new ATOM 0 HB2 PRO A 16 14.212 1.794 1.885 1.00 0.28 H new ATOM 0 HB3 PRO A 16 14.448 0.183 2.535 1.00 0.28 H new ATOM 0 HG2 PRO A 16 12.047 1.352 1.202 1.00 0.26 H new ATOM 0 HG3 PRO A 16 12.643 -0.295 1.165 1.00 0.26 H new ATOM 0 HD2 PRO A 16 10.558 0.709 2.840 1.00 0.19 H new ATOM 0 HD3 PRO A 16 11.289 -0.880 2.938 1.00 0.19 H new ATOM 250 N ARG A 17 12.106 3.255 4.878 1.00 0.21 N ATOM 251 CA ARG A 17 11.371 4.496 4.944 1.00 0.21 C ATOM 252 C ARG A 17 10.471 4.571 3.724 1.00 0.19 C ATOM 253 O ARG A 17 10.671 5.369 2.836 1.00 0.28 O ATOM 254 CB ARG A 17 12.334 5.688 5.003 1.00 0.26 C ATOM 255 CG ARG A 17 11.709 6.963 5.544 1.00 0.39 C ATOM 256 CD ARG A 17 12.703 8.111 5.564 1.00 0.37 C ATOM 257 NE ARG A 17 13.920 7.775 6.300 1.00 1.13 N ATOM 258 CZ ARG A 17 15.059 8.451 6.198 1.00 1.48 C ATOM 259 NH1 ARG A 17 15.131 9.535 5.432 1.00 1.46 N ATOM 260 NH2 ARG A 17 16.121 8.050 6.881 1.00 2.42 N ATOM 0 H ARG A 17 12.013 2.670 5.708 1.00 0.21 H new ATOM 0 HA ARG A 17 10.764 4.533 5.849 1.00 0.21 H new ATOM 0 HB2 ARG A 17 13.188 5.421 5.626 1.00 0.26 H new ATOM 0 HB3 ARG A 17 12.718 5.881 4.001 1.00 0.26 H new ATOM 0 HG2 ARG A 17 10.850 7.236 4.931 1.00 0.39 H new ATOM 0 HG3 ARG A 17 11.337 6.786 6.553 1.00 0.39 H new ATOM 0 HD2 ARG A 17 12.963 8.382 4.541 1.00 0.37 H new ATOM 0 HD3 ARG A 17 12.236 8.986 6.017 1.00 0.37 H new ATOM 0 HE ARG A 17 13.893 6.973 6.930 1.00 1.13 H new ATOM 0 HH11 ARG A 17 14.309 9.852 4.918 1.00 1.46 H new ATOM 0 HH12 ARG A 17 16.008 10.050 5.358 1.00 1.46 H new ATOM 0 HH21 ARG A 17 16.061 7.227 7.480 1.00 2.42 H new ATOM 0 HH22 ARG A 17 16.999 8.564 6.807 1.00 2.42 H new ATOM 274 N LEU A 18 9.494 3.703 3.660 1.00 0.16 N ATOM 275 CA LEU A 18 8.695 3.593 2.467 1.00 0.14 C ATOM 276 C LEU A 18 7.223 3.899 2.731 1.00 0.13 C ATOM 277 O LEU A 18 6.569 3.228 3.537 1.00 0.15 O ATOM 278 CB LEU A 18 8.855 2.196 1.930 1.00 0.19 C ATOM 279 CG LEU A 18 9.383 2.084 0.512 1.00 0.23 C ATOM 280 CD1 LEU A 18 10.712 2.790 0.399 1.00 0.25 C ATOM 281 CD2 LEU A 18 9.507 0.624 0.104 1.00 0.27 C ATOM 0 H LEU A 18 9.234 3.067 4.414 1.00 0.16 H new ATOM 0 HA LEU A 18 9.037 4.328 1.739 1.00 0.14 H new ATOM 0 HB2 LEU A 18 9.527 1.649 2.591 1.00 0.19 H new ATOM 0 HB3 LEU A 18 7.887 1.697 1.976 1.00 0.19 H new ATOM 0 HG LEU A 18 8.678 2.564 -0.167 1.00 0.23 H new ATOM 0 HD11 LEU A 18 11.084 2.705 -0.622 1.00 0.25 H new ATOM 0 HD12 LEU A 18 10.588 3.843 0.653 1.00 0.25 H new ATOM 0 HD13 LEU A 18 11.426 2.333 1.084 1.00 0.25 H new ATOM 0 HD21 LEU A 18 9.887 0.562 -0.916 1.00 0.27 H new ATOM 0 HD22 LEU A 18 10.195 0.115 0.779 1.00 0.27 H new ATOM 0 HD23 LEU A 18 8.528 0.147 0.156 1.00 0.27 H new ATOM 293 N SER A 19 6.708 4.894 2.019 1.00 0.16 N ATOM 294 CA SER A 19 5.351 5.369 2.228 1.00 0.16 C ATOM 295 C SER A 19 4.556 5.374 0.923 1.00 0.14 C ATOM 296 O SER A 19 5.009 5.896 -0.094 1.00 0.18 O ATOM 297 CB SER A 19 5.416 6.764 2.823 1.00 0.23 C ATOM 298 OG SER A 19 4.141 7.376 2.900 1.00 0.67 O ATOM 0 H SER A 19 7.217 5.389 1.287 1.00 0.16 H new ATOM 0 HA SER A 19 4.835 4.696 2.913 1.00 0.16 H new ATOM 0 HB2 SER A 19 5.852 6.711 3.821 1.00 0.23 H new ATOM 0 HB3 SER A 19 6.078 7.384 2.218 1.00 0.23 H new ATOM 0 HG SER A 19 4.142 8.202 2.373 1.00 0.67 H new ATOM 304 N VAL A 20 3.366 4.802 0.987 1.00 0.14 N ATOM 305 CA VAL A 20 2.499 4.618 -0.167 1.00 0.14 C ATOM 306 C VAL A 20 1.364 5.632 -0.159 1.00 0.13 C ATOM 307 O VAL A 20 0.981 6.150 0.894 1.00 0.14 O ATOM 308 CB VAL A 20 1.888 3.199 -0.174 1.00 0.19 C ATOM 309 CG1 VAL A 20 0.968 3.012 1.007 1.00 0.89 C ATOM 310 CG2 VAL A 20 1.134 2.922 -1.459 1.00 0.85 C ATOM 0 H VAL A 20 2.967 4.446 1.856 1.00 0.14 H new ATOM 0 HA VAL A 20 3.111 4.759 -1.058 1.00 0.14 H new ATOM 0 HB VAL A 20 2.713 2.490 -0.104 1.00 0.19 H new ATOM 0 HG11 VAL A 20 0.547 2.007 0.985 1.00 0.89 H new ATOM 0 HG12 VAL A 20 1.529 3.150 1.931 1.00 0.89 H new ATOM 0 HG13 VAL A 20 0.162 3.744 0.960 1.00 0.89 H new ATOM 0 HG21 VAL A 20 0.719 1.915 -1.427 1.00 0.85 H new ATOM 0 HG22 VAL A 20 0.326 3.645 -1.569 1.00 0.85 H new ATOM 0 HG23 VAL A 20 1.815 3.007 -2.306 1.00 0.85 H new ATOM 320 N ILE A 21 0.826 5.907 -1.335 1.00 0.16 N ATOM 321 CA ILE A 21 -0.317 6.788 -1.451 1.00 0.18 C ATOM 322 C ILE A 21 -1.582 5.950 -1.435 1.00 0.16 C ATOM 323 O ILE A 21 -1.832 5.173 -2.357 1.00 0.20 O ATOM 324 CB ILE A 21 -0.267 7.564 -2.781 1.00 0.28 C ATOM 325 CG1 ILE A 21 1.188 7.808 -3.196 1.00 0.23 C ATOM 326 CG2 ILE A 21 -1.018 8.881 -2.657 1.00 0.50 C ATOM 327 CD1 ILE A 21 1.329 8.489 -4.541 1.00 0.73 C ATOM 0 H ILE A 21 1.164 5.532 -2.221 1.00 0.16 H new ATOM 0 HA ILE A 21 -0.304 7.494 -0.621 1.00 0.18 H new ATOM 0 HB ILE A 21 -0.752 6.967 -3.553 1.00 0.28 H new ATOM 0 HG12 ILE A 21 1.676 8.418 -2.436 1.00 0.23 H new ATOM 0 HG13 ILE A 21 1.714 6.854 -3.225 1.00 0.23 H new ATOM 0 HG21 ILE A 21 -0.973 9.416 -3.605 1.00 0.50 H new ATOM 0 HG22 ILE A 21 -2.059 8.684 -2.401 1.00 0.50 H new ATOM 0 HG23 ILE A 21 -0.561 9.488 -1.875 1.00 0.50 H new ATOM 0 HD11 ILE A 21 2.386 8.629 -4.769 1.00 0.73 H new ATOM 0 HD12 ILE A 21 0.871 7.870 -5.312 1.00 0.73 H new ATOM 0 HD13 ILE A 21 0.832 9.459 -4.512 1.00 0.73 H new ATOM 339 N VAL A 22 -2.368 6.100 -0.376 1.00 0.14 N ATOM 340 CA VAL A 22 -3.650 5.430 -0.285 1.00 0.13 C ATOM 341 C VAL A 22 -4.752 6.438 -0.459 1.00 0.13 C ATOM 342 O VAL A 22 -4.877 7.375 0.331 1.00 0.20 O ATOM 343 CB VAL A 22 -3.864 4.711 1.057 1.00 0.15 C ATOM 344 CG1 VAL A 22 -5.077 3.801 0.974 1.00 0.16 C ATOM 345 CG2 VAL A 22 -2.624 3.933 1.454 1.00 0.20 C ATOM 0 H VAL A 22 -2.136 6.681 0.430 1.00 0.14 H new ATOM 0 HA VAL A 22 -3.664 4.676 -1.072 1.00 0.13 H new ATOM 0 HB VAL A 22 -4.047 5.458 1.829 1.00 0.15 H new ATOM 0 HG11 VAL A 22 -5.220 3.297 1.930 1.00 0.16 H new ATOM 0 HG12 VAL A 22 -5.961 4.394 0.741 1.00 0.16 H new ATOM 0 HG13 VAL A 22 -4.922 3.058 0.191 1.00 0.16 H new ATOM 0 HG21 VAL A 22 -2.798 3.432 2.406 1.00 0.20 H new ATOM 0 HG22 VAL A 22 -2.400 3.190 0.689 1.00 0.20 H new ATOM 0 HG23 VAL A 22 -1.781 4.617 1.552 1.00 0.20 H new ATOM 355 N THR A 23 -5.546 6.244 -1.479 1.00 0.15 N ATOM 356 CA THR A 23 -6.553 7.207 -1.818 1.00 0.18 C ATOM 357 C THR A 23 -7.925 6.561 -2.003 1.00 0.15 C ATOM 358 O THR A 23 -8.063 5.494 -2.608 1.00 0.16 O ATOM 359 CB THR A 23 -6.109 8.008 -3.065 1.00 0.33 C ATOM 360 OG1 THR A 23 -5.201 9.044 -2.661 1.00 1.21 O ATOM 361 CG2 THR A 23 -7.287 8.623 -3.810 1.00 0.87 C ATOM 0 H THR A 23 -5.513 5.427 -2.088 1.00 0.15 H new ATOM 0 HA THR A 23 -6.663 7.902 -0.986 1.00 0.18 H new ATOM 0 HB THR A 23 -5.620 7.314 -3.749 1.00 0.33 H new ATOM 0 HG1 THR A 23 -5.606 9.571 -1.941 1.00 1.21 H new ATOM 0 HG21 THR A 23 -6.922 9.174 -4.676 1.00 0.87 H new ATOM 0 HG22 THR A 23 -7.961 7.833 -4.140 1.00 0.87 H new ATOM 0 HG23 THR A 23 -7.822 9.303 -3.147 1.00 0.87 H new ATOM 369 N HIS A 24 -8.916 7.181 -1.382 1.00 0.20 N ATOM 370 CA HIS A 24 -10.311 6.865 -1.615 1.00 0.24 C ATOM 371 C HIS A 24 -11.039 8.149 -1.985 1.00 0.34 C ATOM 372 O HIS A 24 -11.273 9.001 -1.131 1.00 0.38 O ATOM 373 CB HIS A 24 -10.926 6.245 -0.350 1.00 0.31 C ATOM 374 CG HIS A 24 -12.427 6.230 -0.326 1.00 0.47 C ATOM 375 ND1 HIS A 24 -13.175 7.289 0.148 1.00 1.20 N ATOM 376 CD2 HIS A 24 -13.319 5.284 -0.704 1.00 1.13 C ATOM 377 CE1 HIS A 24 -14.458 6.997 0.058 1.00 1.08 C ATOM 378 NE2 HIS A 24 -14.573 5.788 -0.454 1.00 0.96 N ATOM 0 H HIS A 24 -8.771 7.923 -0.697 1.00 0.20 H new ATOM 0 HA HIS A 24 -10.403 6.143 -2.427 1.00 0.24 H new ATOM 0 HB2 HIS A 24 -10.564 5.222 -0.250 1.00 0.31 H new ATOM 0 HB3 HIS A 24 -10.568 6.796 0.520 1.00 0.31 H new ATOM 0 HD2 HIS A 24 -13.088 4.316 -1.123 1.00 1.13 H new ATOM 0 HE1 HIS A 24 -15.275 7.639 0.353 1.00 1.08 H new ATOM 0 HE2 HIS A 24 -15.452 5.304 -0.636 1.00 0.96 H new ATOM 387 N SER A 25 -11.421 8.258 -3.243 1.00 0.41 N ATOM 388 CA SER A 25 -12.112 9.442 -3.755 1.00 0.55 C ATOM 389 C SER A 25 -11.398 10.738 -3.325 1.00 0.60 C ATOM 390 O SER A 25 -11.940 11.527 -2.545 1.00 0.99 O ATOM 391 CB SER A 25 -13.570 9.446 -3.280 1.00 0.63 C ATOM 392 OG SER A 25 -14.379 10.278 -4.097 1.00 1.17 O ATOM 0 H SER A 25 -11.265 7.533 -3.944 1.00 0.41 H new ATOM 0 HA SER A 25 -12.094 9.402 -4.844 1.00 0.55 H new ATOM 0 HB2 SER A 25 -13.961 8.429 -3.294 1.00 0.63 H new ATOM 0 HB3 SER A 25 -13.617 9.792 -2.247 1.00 0.63 H new ATOM 0 HG SER A 25 -15.303 10.259 -3.770 1.00 1.17 H new ATOM 398 N ASN A 26 -10.168 10.918 -3.822 1.00 0.44 N ATOM 399 CA ASN A 26 -9.344 12.120 -3.572 1.00 0.50 C ATOM 400 C ASN A 26 -8.703 12.110 -2.176 1.00 0.43 C ATOM 401 O ASN A 26 -7.637 12.698 -1.979 1.00 0.47 O ATOM 402 CB ASN A 26 -10.152 13.408 -3.766 1.00 0.65 C ATOM 403 CG ASN A 26 -9.383 14.477 -4.524 1.00 1.42 C ATOM 404 OD1 ASN A 26 -8.153 14.522 -4.498 1.00 2.19 O ATOM 405 ND2 ASN A 26 -10.108 15.352 -5.205 1.00 2.02 N ATOM 0 H ASN A 26 -9.707 10.229 -4.416 1.00 0.44 H new ATOM 0 HA ASN A 26 -8.542 12.095 -4.309 1.00 0.50 H new ATOM 0 HB2 ASN A 26 -11.071 13.177 -4.305 1.00 0.65 H new ATOM 0 HB3 ASN A 26 -10.443 13.799 -2.791 1.00 0.65 H new ATOM 0 HD21 ASN A 26 -9.649 16.095 -5.732 1.00 2.02 H new ATOM 0 HD22 ASN A 26 -11.126 15.283 -5.203 1.00 2.02 H new ATOM 412 N GLU A 27 -9.363 11.458 -1.218 1.00 0.41 N ATOM 413 CA GLU A 27 -8.825 11.286 0.134 1.00 0.42 C ATOM 414 C GLU A 27 -7.440 10.639 0.076 1.00 0.37 C ATOM 415 O GLU A 27 -7.182 9.805 -0.786 1.00 0.49 O ATOM 416 CB GLU A 27 -9.816 10.446 0.956 1.00 0.50 C ATOM 417 CG GLU A 27 -9.289 9.898 2.273 1.00 0.58 C ATOM 418 CD GLU A 27 -8.386 8.702 2.088 1.00 1.21 C ATOM 419 OE1 GLU A 27 -8.683 7.848 1.234 1.00 1.58 O ATOM 420 OE2 GLU A 27 -7.364 8.618 2.791 1.00 1.75 O ATOM 0 H GLU A 27 -10.281 11.036 -1.355 1.00 0.41 H new ATOM 0 HA GLU A 27 -8.704 12.255 0.618 1.00 0.42 H new ATOM 0 HB2 GLU A 27 -10.695 11.057 1.164 1.00 0.50 H new ATOM 0 HB3 GLU A 27 -10.148 9.608 0.343 1.00 0.50 H new ATOM 0 HG2 GLU A 27 -8.742 10.683 2.796 1.00 0.58 H new ATOM 0 HG3 GLU A 27 -10.130 9.618 2.908 1.00 0.58 H new ATOM 427 N ARG A 28 -6.546 11.032 0.973 1.00 0.33 N ATOM 428 CA ARG A 28 -5.192 10.502 0.953 1.00 0.33 C ATOM 429 C ARG A 28 -4.682 10.212 2.368 1.00 0.30 C ATOM 430 O ARG A 28 -4.680 11.088 3.233 1.00 0.36 O ATOM 431 CB ARG A 28 -4.267 11.503 0.241 1.00 0.48 C ATOM 432 CG ARG A 28 -2.977 10.914 -0.328 1.00 0.72 C ATOM 433 CD ARG A 28 -1.988 10.494 0.751 1.00 0.76 C ATOM 434 NE ARG A 28 -1.784 11.545 1.753 1.00 1.75 N ATOM 435 CZ ARG A 28 -0.614 11.818 2.328 1.00 2.38 C ATOM 436 NH1 ARG A 28 0.491 11.209 1.921 1.00 2.45 N ATOM 437 NH2 ARG A 28 -0.552 12.725 3.296 1.00 3.31 N ATOM 0 H ARG A 28 -6.731 11.707 1.714 1.00 0.33 H new ATOM 0 HA ARG A 28 -5.196 9.557 0.410 1.00 0.33 H new ATOM 0 HB2 ARG A 28 -4.823 11.970 -0.572 1.00 0.48 H new ATOM 0 HB3 ARG A 28 -4.006 12.294 0.944 1.00 0.48 H new ATOM 0 HG2 ARG A 28 -3.220 10.050 -0.946 1.00 0.72 H new ATOM 0 HG3 ARG A 28 -2.505 11.649 -0.980 1.00 0.72 H new ATOM 0 HD2 ARG A 28 -2.350 9.591 1.242 1.00 0.76 H new ATOM 0 HD3 ARG A 28 -1.033 10.244 0.289 1.00 0.76 H new ATOM 0 HE ARG A 28 -2.592 12.104 2.028 1.00 1.75 H new ATOM 0 HH11 ARG A 28 0.448 10.527 1.164 1.00 2.45 H new ATOM 0 HH12 ARG A 28 1.384 11.422 2.365 1.00 2.45 H new ATOM 0 HH21 ARG A 28 -1.398 13.209 3.596 1.00 3.31 H new ATOM 0 HH22 ARG A 28 0.342 12.937 3.739 1.00 3.31 H new ATOM 451 N TYR A 29 -4.241 8.981 2.580 1.00 0.28 N ATOM 452 CA TYR A 29 -3.463 8.611 3.759 1.00 0.27 C ATOM 453 C TYR A 29 -2.149 8.000 3.304 1.00 0.25 C ATOM 454 O TYR A 29 -2.136 7.188 2.377 1.00 0.27 O ATOM 455 CB TYR A 29 -4.212 7.604 4.644 1.00 0.34 C ATOM 456 CG TYR A 29 -5.101 8.234 5.692 1.00 0.93 C ATOM 457 CD1 TYR A 29 -4.554 8.821 6.825 1.00 1.30 C ATOM 458 CD2 TYR A 29 -6.483 8.225 5.560 1.00 1.65 C ATOM 459 CE1 TYR A 29 -5.362 9.380 7.797 1.00 1.95 C ATOM 460 CE2 TYR A 29 -7.296 8.785 6.524 1.00 2.31 C ATOM 461 CZ TYR A 29 -6.731 9.361 7.641 1.00 2.36 C ATOM 462 OH TYR A 29 -7.538 9.915 8.608 1.00 3.09 O ATOM 0 H TYR A 29 -4.412 8.206 1.939 1.00 0.28 H new ATOM 0 HA TYR A 29 -3.289 9.509 4.351 1.00 0.27 H new ATOM 0 HB2 TYR A 29 -4.820 6.962 4.007 1.00 0.34 H new ATOM 0 HB3 TYR A 29 -3.484 6.963 5.141 1.00 0.34 H new ATOM 0 HD1 TYR A 29 -3.481 8.841 6.949 1.00 1.30 H new ATOM 0 HD2 TYR A 29 -6.930 7.772 4.687 1.00 1.65 H new ATOM 0 HE1 TYR A 29 -4.922 9.830 8.675 1.00 1.95 H new ATOM 0 HE2 TYR A 29 -8.369 8.772 6.404 1.00 2.31 H new ATOM 0 HH TYR A 29 -8.477 9.820 8.344 1.00 3.09 H new ATOM 472 N ASP A 30 -1.044 8.402 3.913 1.00 0.27 N ATOM 473 CA ASP A 30 0.231 7.779 3.601 1.00 0.30 C ATOM 474 C ASP A 30 0.400 6.543 4.469 1.00 0.25 C ATOM 475 O ASP A 30 0.342 6.606 5.697 1.00 0.34 O ATOM 476 CB ASP A 30 1.412 8.753 3.767 1.00 0.50 C ATOM 477 CG ASP A 30 1.687 9.156 5.202 1.00 1.27 C ATOM 478 OD1 ASP A 30 0.873 9.911 5.777 1.00 1.99 O ATOM 479 OD2 ASP A 30 2.738 8.750 5.747 1.00 2.01 O ATOM 0 H ASP A 30 -1.004 9.143 4.613 1.00 0.27 H new ATOM 0 HA ASP A 30 0.230 7.487 2.551 1.00 0.30 H new ATOM 0 HB2 ASP A 30 2.309 8.293 3.352 1.00 0.50 H new ATOM 0 HB3 ASP A 30 1.214 9.650 3.181 1.00 0.50 H new ATOM 484 N LEU A 31 0.559 5.416 3.811 1.00 0.18 N ATOM 485 CA LEU A 31 0.622 4.126 4.480 1.00 0.15 C ATOM 486 C LEU A 31 2.023 3.562 4.314 1.00 0.14 C ATOM 487 O LEU A 31 2.708 3.891 3.352 1.00 0.18 O ATOM 488 CB LEU A 31 -0.434 3.193 3.871 1.00 0.15 C ATOM 489 CG LEU A 31 -1.319 2.432 4.855 1.00 0.14 C ATOM 490 CD1 LEU A 31 -0.593 1.204 5.383 1.00 0.17 C ATOM 491 CD2 LEU A 31 -1.712 3.340 6.009 1.00 0.16 C ATOM 0 H LEU A 31 0.649 5.363 2.796 1.00 0.18 H new ATOM 0 HA LEU A 31 0.412 4.228 5.545 1.00 0.15 H new ATOM 0 HB2 LEU A 31 -1.078 3.785 3.220 1.00 0.15 H new ATOM 0 HB3 LEU A 31 0.076 2.466 3.239 1.00 0.15 H new ATOM 0 HG LEU A 31 -2.220 2.107 4.334 1.00 0.14 H new ATOM 0 HD11 LEU A 31 -1.238 0.673 6.083 1.00 0.17 H new ATOM 0 HD12 LEU A 31 -0.340 0.546 4.552 1.00 0.17 H new ATOM 0 HD13 LEU A 31 0.320 1.512 5.893 1.00 0.17 H new ATOM 0 HD21 LEU A 31 -2.343 2.789 6.706 1.00 0.16 H new ATOM 0 HD22 LEU A 31 -0.815 3.682 6.524 1.00 0.16 H new ATOM 0 HD23 LEU A 31 -2.260 4.200 5.625 1.00 0.16 H new ATOM 503 N LEU A 32 2.478 2.748 5.242 1.00 0.15 N ATOM 504 CA LEU A 32 3.839 2.265 5.166 1.00 0.16 C ATOM 505 C LEU A 32 3.867 0.831 4.672 1.00 0.14 C ATOM 506 O LEU A 32 3.086 -0.014 5.117 1.00 0.14 O ATOM 507 CB LEU A 32 4.556 2.451 6.512 1.00 0.19 C ATOM 508 CG LEU A 32 5.657 1.440 6.850 1.00 0.22 C ATOM 509 CD1 LEU A 32 6.724 2.103 7.697 1.00 0.52 C ATOM 510 CD2 LEU A 32 5.085 0.243 7.598 1.00 0.73 C ATOM 0 H LEU A 32 1.940 2.413 6.041 1.00 0.15 H new ATOM 0 HA LEU A 32 4.391 2.858 4.437 1.00 0.16 H new ATOM 0 HB2 LEU A 32 4.993 3.449 6.530 1.00 0.19 H new ATOM 0 HB3 LEU A 32 3.808 2.417 7.304 1.00 0.19 H new ATOM 0 HG LEU A 32 6.096 1.089 5.916 1.00 0.22 H new ATOM 0 HD11 LEU A 32 7.503 1.378 7.933 1.00 0.52 H new ATOM 0 HD12 LEU A 32 7.159 2.937 7.147 1.00 0.52 H new ATOM 0 HD13 LEU A 32 6.278 2.471 8.621 1.00 0.52 H new ATOM 0 HD21 LEU A 32 5.886 -0.460 7.826 1.00 0.73 H new ATOM 0 HD22 LEU A 32 4.623 0.581 8.526 1.00 0.73 H new ATOM 0 HD23 LEU A 32 4.336 -0.249 6.978 1.00 0.73 H new ATOM 522 N VAL A 33 4.774 0.590 3.735 1.00 0.14 N ATOM 523 CA VAL A 33 4.883 -0.696 3.049 1.00 0.14 C ATOM 524 C VAL A 33 5.370 -1.751 4.019 1.00 0.14 C ATOM 525 O VAL A 33 6.141 -1.450 4.933 1.00 0.15 O ATOM 526 CB VAL A 33 5.816 -0.597 1.815 1.00 0.17 C ATOM 527 CG1 VAL A 33 5.146 -1.174 0.588 1.00 0.98 C ATOM 528 CG2 VAL A 33 6.154 0.839 1.567 1.00 1.15 C ATOM 0 H VAL A 33 5.458 1.281 3.426 1.00 0.14 H new ATOM 0 HA VAL A 33 3.897 -0.983 2.684 1.00 0.14 H new ATOM 0 HB VAL A 33 6.723 -1.167 2.016 1.00 0.17 H new ATOM 0 HG11 VAL A 33 5.819 -1.094 -0.266 1.00 0.98 H new ATOM 0 HG12 VAL A 33 4.906 -2.223 0.764 1.00 0.98 H new ATOM 0 HG13 VAL A 33 4.229 -0.622 0.380 1.00 0.98 H new ATOM 0 HG21 VAL A 33 6.810 0.914 0.700 1.00 1.15 H new ATOM 0 HG22 VAL A 33 5.239 1.401 1.379 1.00 1.15 H new ATOM 0 HG23 VAL A 33 6.659 1.250 2.441 1.00 1.15 H new ATOM 538 N THR A 34 4.943 -2.985 3.813 1.00 0.14 N ATOM 539 CA THR A 34 4.980 -3.972 4.867 1.00 0.17 C ATOM 540 C THR A 34 6.365 -4.579 5.008 1.00 0.17 C ATOM 541 O THR A 34 6.872 -5.266 4.114 1.00 0.18 O ATOM 542 CB THR A 34 3.944 -5.080 4.598 1.00 0.19 C ATOM 543 OG1 THR A 34 2.663 -4.490 4.349 1.00 0.21 O ATOM 544 CG2 THR A 34 3.841 -6.030 5.781 1.00 0.23 C ATOM 0 H THR A 34 4.568 -3.322 2.926 1.00 0.14 H new ATOM 0 HA THR A 34 4.733 -3.470 5.802 1.00 0.17 H new ATOM 0 HB THR A 34 4.269 -5.647 3.726 1.00 0.19 H new ATOM 0 HG1 THR A 34 2.726 -3.881 3.583 1.00 0.21 H new ATOM 0 HG21 THR A 34 3.103 -6.802 5.564 1.00 0.23 H new ATOM 0 HG22 THR A 34 4.811 -6.495 5.960 1.00 0.23 H new ATOM 0 HG23 THR A 34 3.536 -5.475 6.668 1.00 0.23 H new ATOM 552 N PRO A 35 6.995 -4.293 6.160 1.00 0.18 N ATOM 553 CA PRO A 35 8.352 -4.721 6.465 1.00 0.20 C ATOM 554 C PRO A 35 8.479 -6.232 6.575 1.00 0.23 C ATOM 555 O PRO A 35 7.485 -6.946 6.730 1.00 0.35 O ATOM 556 CB PRO A 35 8.662 -4.060 7.813 1.00 0.27 C ATOM 557 CG PRO A 35 7.334 -3.775 8.418 1.00 0.32 C ATOM 558 CD PRO A 35 6.399 -3.522 7.271 1.00 0.22 C ATOM 0 HA PRO A 35 9.043 -4.434 5.672 1.00 0.20 H new ATOM 0 HB2 PRO A 35 9.252 -4.720 8.449 1.00 0.27 H new ATOM 0 HB3 PRO A 35 9.239 -3.145 7.680 1.00 0.27 H new ATOM 0 HG2 PRO A 35 6.992 -4.616 9.021 1.00 0.32 H new ATOM 0 HG3 PRO A 35 7.384 -2.909 9.078 1.00 0.32 H new ATOM 0 HD2 PRO A 35 5.388 -3.860 7.496 1.00 0.22 H new ATOM 0 HD3 PRO A 35 6.335 -2.460 7.033 1.00 0.22 H new ATOM 566 N GLN A 36 9.721 -6.683 6.434 1.00 0.26 N ATOM 567 CA GLN A 36 10.122 -8.089 6.600 1.00 0.29 C ATOM 568 C GLN A 36 10.005 -8.852 5.287 1.00 0.30 C ATOM 569 O GLN A 36 10.051 -10.079 5.264 1.00 0.73 O ATOM 570 CB GLN A 36 9.339 -8.795 7.719 1.00 0.42 C ATOM 571 CG GLN A 36 9.576 -8.194 9.099 1.00 0.59 C ATOM 572 CD GLN A 36 8.768 -8.872 10.193 1.00 0.98 C ATOM 573 OE1 GLN A 36 9.194 -8.925 11.348 1.00 1.69 O ATOM 574 NE2 GLN A 36 7.597 -9.387 9.847 1.00 1.72 N ATOM 0 H GLN A 36 10.501 -6.071 6.195 1.00 0.26 H new ATOM 0 HA GLN A 36 11.169 -8.083 6.901 1.00 0.29 H new ATOM 0 HB2 GLN A 36 8.274 -8.751 7.490 1.00 0.42 H new ATOM 0 HB3 GLN A 36 9.618 -9.849 7.738 1.00 0.42 H new ATOM 0 HG2 GLN A 36 10.636 -8.265 9.342 1.00 0.59 H new ATOM 0 HG3 GLN A 36 9.325 -7.134 9.075 1.00 0.59 H new ATOM 0 HE21 GLN A 36 7.278 -9.324 8.880 1.00 1.72 H new ATOM 0 HE22 GLN A 36 7.015 -9.847 10.547 1.00 1.72 H new ATOM 583 N GLN A 37 9.857 -8.117 4.193 1.00 0.33 N ATOM 584 CA GLN A 37 9.914 -8.720 2.869 1.00 0.26 C ATOM 585 C GLN A 37 11.276 -8.474 2.238 1.00 0.30 C ATOM 586 O GLN A 37 11.705 -9.194 1.339 1.00 0.74 O ATOM 587 CB GLN A 37 8.846 -8.149 1.939 1.00 0.23 C ATOM 588 CG GLN A 37 7.980 -9.221 1.310 1.00 0.26 C ATOM 589 CD GLN A 37 8.788 -10.370 0.734 1.00 0.44 C ATOM 590 OE1 GLN A 37 9.015 -11.383 1.397 1.00 1.02 O ATOM 591 NE2 GLN A 37 9.247 -10.209 -0.492 1.00 1.42 N ATOM 0 H GLN A 37 9.698 -7.110 4.196 1.00 0.33 H new ATOM 0 HA GLN A 37 9.738 -9.788 2.998 1.00 0.26 H new ATOM 0 HB2 GLN A 37 8.214 -7.460 2.499 1.00 0.23 H new ATOM 0 HB3 GLN A 37 9.329 -7.570 1.152 1.00 0.23 H new ATOM 0 HG2 GLN A 37 7.289 -9.609 2.059 1.00 0.26 H new ATOM 0 HG3 GLN A 37 7.376 -8.776 0.519 1.00 0.26 H new ATOM 0 HE21 GLN A 37 9.036 -9.354 -1.007 1.00 1.42 H new ATOM 0 HE22 GLN A 37 9.813 -10.939 -0.925 1.00 1.42 H new ATOM 600 N GLY A 38 11.956 -7.462 2.737 1.00 0.43 N ATOM 601 CA GLY A 38 13.161 -6.995 2.096 1.00 0.34 C ATOM 602 C GLY A 38 13.052 -5.534 1.761 1.00 0.38 C ATOM 603 O GLY A 38 13.700 -5.070 0.833 1.00 0.83 O ATOM 0 H GLY A 38 11.694 -6.951 3.580 1.00 0.43 H new ATOM 0 HA2 GLY A 38 14.015 -7.160 2.752 1.00 0.34 H new ATOM 0 HA3 GLY A 38 13.342 -7.569 1.187 1.00 0.34 H new ATOM 607 N ASN A 39 12.186 -4.845 2.523 1.00 0.27 N ATOM 608 CA ASN A 39 11.893 -3.407 2.417 1.00 0.22 C ATOM 609 C ASN A 39 11.367 -2.964 1.058 1.00 0.21 C ATOM 610 O ASN A 39 10.407 -2.210 0.985 1.00 0.27 O ATOM 611 CB ASN A 39 13.070 -2.521 2.852 1.00 0.29 C ATOM 612 CG ASN A 39 14.353 -2.664 2.047 1.00 0.40 C ATOM 613 OD1 ASN A 39 15.241 -3.436 2.411 1.00 1.06 O ATOM 614 ND2 ASN A 39 14.467 -1.913 0.962 1.00 1.11 N ATOM 0 H ASN A 39 11.647 -5.296 3.262 1.00 0.27 H new ATOM 0 HA ASN A 39 11.076 -3.263 3.124 1.00 0.22 H new ATOM 0 HB2 ASN A 39 12.751 -1.480 2.805 1.00 0.29 H new ATOM 0 HB3 ASN A 39 13.295 -2.739 3.896 1.00 0.29 H new ATOM 0 HD21 ASN A 39 15.313 -1.962 0.395 1.00 1.11 H new ATOM 0 HD22 ASN A 39 13.709 -1.286 0.694 1.00 1.11 H new ATOM 621 N SER A 40 11.976 -3.438 0.005 1.00 0.24 N ATOM 622 CA SER A 40 11.680 -2.976 -1.323 1.00 0.32 C ATOM 623 C SER A 40 10.483 -3.711 -1.900 1.00 0.32 C ATOM 624 O SER A 40 9.594 -3.092 -2.467 1.00 0.50 O ATOM 625 CB SER A 40 12.928 -3.153 -2.195 1.00 0.40 C ATOM 626 OG SER A 40 12.642 -3.047 -3.577 1.00 1.42 O ATOM 0 H SER A 40 12.696 -4.160 0.045 1.00 0.24 H new ATOM 0 HA SER A 40 11.414 -1.919 -1.295 1.00 0.32 H new ATOM 0 HB2 SER A 40 13.668 -2.401 -1.922 1.00 0.40 H new ATOM 0 HB3 SER A 40 13.374 -4.127 -1.993 1.00 0.40 H new ATOM 0 HG SER A 40 13.467 -3.165 -4.092 1.00 1.42 H new ATOM 632 N GLU A 41 10.408 -5.014 -1.686 1.00 0.24 N ATOM 633 CA GLU A 41 9.423 -5.815 -2.387 1.00 0.31 C ATOM 634 C GLU A 41 8.490 -6.482 -1.393 1.00 0.26 C ATOM 635 O GLU A 41 8.717 -7.602 -0.968 1.00 0.30 O ATOM 636 CB GLU A 41 10.099 -6.831 -3.316 1.00 0.45 C ATOM 637 CG GLU A 41 11.197 -7.662 -2.675 1.00 1.12 C ATOM 638 CD GLU A 41 11.889 -8.554 -3.683 1.00 1.32 C ATOM 639 OE1 GLU A 41 11.394 -9.671 -3.939 1.00 1.83 O ATOM 640 OE2 GLU A 41 12.926 -8.137 -4.236 1.00 1.66 O ATOM 0 H GLU A 41 11.007 -5.532 -1.043 1.00 0.24 H new ATOM 0 HA GLU A 41 8.823 -5.162 -3.020 1.00 0.31 H new ATOM 0 HB2 GLU A 41 9.337 -7.505 -3.707 1.00 0.45 H new ATOM 0 HB3 GLU A 41 10.520 -6.297 -4.168 1.00 0.45 H new ATOM 0 HG2 GLU A 41 11.929 -7.001 -2.212 1.00 1.12 H new ATOM 0 HG3 GLU A 41 10.772 -8.274 -1.880 1.00 1.12 H new ATOM 647 N PRO A 42 7.422 -5.765 -1.036 1.00 0.22 N ATOM 648 CA PRO A 42 6.488 -6.128 0.038 1.00 0.21 C ATOM 649 C PRO A 42 5.751 -7.444 -0.197 1.00 0.20 C ATOM 650 O PRO A 42 5.781 -8.006 -1.284 1.00 0.20 O ATOM 651 CB PRO A 42 5.490 -4.976 0.068 1.00 0.23 C ATOM 652 CG PRO A 42 6.139 -3.872 -0.677 1.00 0.26 C ATOM 653 CD PRO A 42 7.021 -4.514 -1.691 1.00 0.24 C ATOM 0 HA PRO A 42 7.029 -6.280 0.972 1.00 0.21 H new ATOM 0 HB2 PRO A 42 4.546 -5.262 -0.397 1.00 0.23 H new ATOM 0 HB3 PRO A 42 5.264 -4.679 1.092 1.00 0.23 H new ATOM 0 HG2 PRO A 42 5.395 -3.236 -1.156 1.00 0.26 H new ATOM 0 HG3 PRO A 42 6.717 -3.237 -0.006 1.00 0.26 H new ATOM 0 HD2 PRO A 42 6.492 -4.700 -2.626 1.00 0.24 H new ATOM 0 HD3 PRO A 42 7.882 -3.890 -1.930 1.00 0.24 H new ATOM 661 N VAL A 43 5.110 -7.943 0.853 1.00 0.21 N ATOM 662 CA VAL A 43 4.414 -9.218 0.790 1.00 0.22 C ATOM 663 C VAL A 43 3.097 -9.075 0.045 1.00 0.19 C ATOM 664 O VAL A 43 2.610 -7.965 -0.135 1.00 0.17 O ATOM 665 CB VAL A 43 4.108 -9.789 2.191 1.00 0.26 C ATOM 666 CG1 VAL A 43 5.374 -10.217 2.911 1.00 0.32 C ATOM 667 CG2 VAL A 43 3.343 -8.781 3.030 1.00 0.24 C ATOM 0 H VAL A 43 5.059 -7.480 1.761 1.00 0.21 H new ATOM 0 HA VAL A 43 5.081 -9.902 0.266 1.00 0.22 H new ATOM 0 HB VAL A 43 3.486 -10.673 2.051 1.00 0.26 H new ATOM 0 HG11 VAL A 43 5.118 -10.613 3.893 1.00 0.32 H new ATOM 0 HG12 VAL A 43 5.880 -10.988 2.330 1.00 0.32 H new ATOM 0 HG13 VAL A 43 6.034 -9.358 3.028 1.00 0.32 H new ATOM 0 HG21 VAL A 43 3.139 -9.206 4.013 1.00 0.24 H new ATOM 0 HG22 VAL A 43 3.938 -7.875 3.143 1.00 0.24 H new ATOM 0 HG23 VAL A 43 2.402 -8.537 2.537 1.00 0.24 H new ATOM 677 N VAL A 44 2.503 -10.200 -0.341 1.00 0.22 N ATOM 678 CA VAL A 44 1.212 -10.198 -1.031 1.00 0.22 C ATOM 679 C VAL A 44 0.183 -9.406 -0.233 1.00 0.20 C ATOM 680 O VAL A 44 -0.728 -8.794 -0.786 1.00 0.25 O ATOM 681 CB VAL A 44 0.697 -11.631 -1.254 1.00 0.27 C ATOM 682 CG1 VAL A 44 1.436 -12.301 -2.401 1.00 0.36 C ATOM 683 CG2 VAL A 44 0.841 -12.451 0.016 1.00 0.36 C ATOM 0 H VAL A 44 2.895 -11.129 -0.188 1.00 0.22 H new ATOM 0 HA VAL A 44 1.358 -9.726 -2.003 1.00 0.22 H new ATOM 0 HB VAL A 44 -0.360 -11.574 -1.516 1.00 0.27 H new ATOM 0 HG11 VAL A 44 1.054 -13.313 -2.539 1.00 0.36 H new ATOM 0 HG12 VAL A 44 1.284 -11.728 -3.316 1.00 0.36 H new ATOM 0 HG13 VAL A 44 2.501 -12.343 -2.172 1.00 0.36 H new ATOM 0 HG21 VAL A 44 0.472 -13.462 -0.160 1.00 0.36 H new ATOM 0 HG22 VAL A 44 1.891 -12.493 0.305 1.00 0.36 H new ATOM 0 HG23 VAL A 44 0.263 -11.988 0.816 1.00 0.36 H new ATOM 693 N GLN A 45 0.367 -9.426 1.073 1.00 0.19 N ATOM 694 CA GLN A 45 -0.526 -8.766 2.010 1.00 0.19 C ATOM 695 C GLN A 45 -0.509 -7.263 1.809 1.00 0.16 C ATOM 696 O GLN A 45 -1.537 -6.608 1.918 1.00 0.19 O ATOM 697 CB GLN A 45 -0.091 -9.057 3.441 1.00 0.25 C ATOM 698 CG GLN A 45 -0.182 -10.519 3.845 1.00 0.62 C ATOM 699 CD GLN A 45 0.460 -10.784 5.197 1.00 0.89 C ATOM 700 OE1 GLN A 45 0.971 -11.876 5.452 1.00 1.66 O ATOM 701 NE2 GLN A 45 0.442 -9.789 6.073 1.00 1.44 N ATOM 0 H GLN A 45 1.149 -9.906 1.520 1.00 0.19 H new ATOM 0 HA GLN A 45 -1.531 -9.148 1.832 1.00 0.19 H new ATOM 0 HB2 GLN A 45 0.938 -8.722 3.569 1.00 0.25 H new ATOM 0 HB3 GLN A 45 -0.706 -8.467 4.121 1.00 0.25 H new ATOM 0 HG2 GLN A 45 -1.229 -10.820 3.877 1.00 0.62 H new ATOM 0 HG3 GLN A 45 0.304 -11.134 3.088 1.00 0.62 H new ATOM 0 HE21 GLN A 45 0.009 -8.899 5.825 1.00 1.44 H new ATOM 0 HE22 GLN A 45 0.861 -9.913 6.995 1.00 1.44 H new ATOM 710 N ASP A 46 0.666 -6.739 1.488 1.00 0.15 N ATOM 711 CA ASP A 46 0.945 -5.313 1.606 1.00 0.14 C ATOM 712 C ASP A 46 0.022 -4.454 0.754 1.00 0.14 C ATOM 713 O ASP A 46 -0.433 -3.403 1.201 1.00 0.15 O ATOM 714 CB ASP A 46 2.411 -5.036 1.261 1.00 0.17 C ATOM 715 CG ASP A 46 2.655 -3.581 0.939 1.00 0.14 C ATOM 716 OD1 ASP A 46 2.500 -3.186 -0.245 1.00 0.17 O ATOM 717 OD2 ASP A 46 3.000 -2.835 1.871 1.00 0.16 O ATOM 0 H ASP A 46 1.451 -7.288 1.139 1.00 0.15 H new ATOM 0 HA ASP A 46 0.754 -5.034 2.642 1.00 0.14 H new ATOM 0 HB2 ASP A 46 3.042 -5.332 2.099 1.00 0.17 H new ATOM 0 HB3 ASP A 46 2.704 -5.649 0.409 1.00 0.17 H new ATOM 722 N LEU A 47 -0.281 -4.905 -0.449 1.00 0.18 N ATOM 723 CA LEU A 47 -1.108 -4.149 -1.343 1.00 0.22 C ATOM 724 C LEU A 47 -2.491 -3.925 -0.721 1.00 0.19 C ATOM 725 O LEU A 47 -3.027 -2.806 -0.722 1.00 0.22 O ATOM 726 CB LEU A 47 -1.166 -4.900 -2.677 1.00 0.28 C ATOM 727 CG LEU A 47 -1.605 -6.372 -2.617 1.00 0.62 C ATOM 728 CD1 LEU A 47 -3.106 -6.506 -2.787 1.00 1.07 C ATOM 729 CD2 LEU A 47 -0.881 -7.192 -3.672 1.00 1.01 C ATOM 0 H LEU A 47 0.040 -5.798 -0.822 1.00 0.18 H new ATOM 0 HA LEU A 47 -0.695 -3.157 -1.524 1.00 0.22 H new ATOM 0 HB2 LEU A 47 -1.849 -4.367 -3.339 1.00 0.28 H new ATOM 0 HB3 LEU A 47 -0.178 -4.857 -3.136 1.00 0.28 H new ATOM 0 HG LEU A 47 -1.340 -6.756 -1.632 1.00 0.62 H new ATOM 0 HD11 LEU A 47 -3.385 -7.559 -2.740 1.00 1.07 H new ATOM 0 HD12 LEU A 47 -3.612 -5.960 -1.991 1.00 1.07 H new ATOM 0 HD13 LEU A 47 -3.401 -6.095 -3.753 1.00 1.07 H new ATOM 0 HD21 LEU A 47 -1.206 -8.231 -3.612 1.00 1.01 H new ATOM 0 HD22 LEU A 47 -1.111 -6.796 -4.661 1.00 1.01 H new ATOM 0 HD23 LEU A 47 0.194 -7.138 -3.500 1.00 1.01 H new ATOM 741 N ALA A 48 -3.029 -4.986 -0.133 1.00 0.18 N ATOM 742 CA ALA A 48 -4.281 -4.908 0.593 1.00 0.17 C ATOM 743 C ALA A 48 -4.095 -4.101 1.863 1.00 0.14 C ATOM 744 O ALA A 48 -4.951 -3.308 2.234 1.00 0.16 O ATOM 745 CB ALA A 48 -4.793 -6.300 0.927 1.00 0.19 C ATOM 0 H ALA A 48 -2.610 -5.916 -0.148 1.00 0.18 H new ATOM 0 HA ALA A 48 -5.018 -4.412 -0.038 1.00 0.17 H new ATOM 0 HB1 ALA A 48 -5.734 -6.221 1.472 1.00 0.19 H new ATOM 0 HB2 ALA A 48 -4.954 -6.859 0.005 1.00 0.19 H new ATOM 0 HB3 ALA A 48 -4.059 -6.819 1.543 1.00 0.19 H new ATOM 751 N GLN A 49 -2.941 -4.296 2.496 1.00 0.13 N ATOM 752 CA GLN A 49 -2.651 -3.713 3.798 1.00 0.13 C ATOM 753 C GLN A 49 -2.675 -2.215 3.750 1.00 0.12 C ATOM 754 O GLN A 49 -3.261 -1.565 4.598 1.00 0.13 O ATOM 755 CB GLN A 49 -1.255 -4.120 4.272 1.00 0.15 C ATOM 756 CG GLN A 49 -0.806 -3.401 5.531 1.00 0.20 C ATOM 757 CD GLN A 49 -1.404 -3.991 6.790 1.00 0.33 C ATOM 758 OE1 GLN A 49 -0.834 -4.894 7.402 1.00 0.94 O ATOM 759 NE2 GLN A 49 -2.565 -3.494 7.179 1.00 1.35 N ATOM 0 H GLN A 49 -2.182 -4.863 2.118 1.00 0.13 H new ATOM 0 HA GLN A 49 -3.420 -4.080 4.478 1.00 0.13 H new ATOM 0 HB2 GLN A 49 -1.241 -5.195 4.453 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -0.538 -3.922 3.475 1.00 0.15 H new ATOM 0 HG2 GLN A 49 0.281 -3.440 5.598 1.00 0.20 H new ATOM 0 HG3 GLN A 49 -1.083 -2.349 5.461 1.00 0.20 H new ATOM 0 HE21 GLN A 49 -3.004 -2.745 6.643 1.00 1.35 H new ATOM 0 HE22 GLN A 49 -3.022 -3.859 8.015 1.00 1.35 H new ATOM 768 N LEU A 50 -2.006 -1.685 2.764 1.00 0.12 N ATOM 769 CA LEU A 50 -1.842 -0.253 2.644 1.00 0.12 C ATOM 770 C LEU A 50 -3.201 0.450 2.554 1.00 0.12 C ATOM 771 O LEU A 50 -3.516 1.341 3.350 1.00 0.13 O ATOM 772 CB LEU A 50 -1.004 0.022 1.408 1.00 0.12 C ATOM 773 CG LEU A 50 0.421 -0.559 1.435 1.00 0.11 C ATOM 774 CD1 LEU A 50 1.106 -0.354 0.095 1.00 0.12 C ATOM 775 CD2 LEU A 50 1.234 0.074 2.549 1.00 0.13 C ATOM 0 H LEU A 50 -1.560 -2.225 2.023 1.00 0.12 H new ATOM 0 HA LEU A 50 -1.340 0.139 3.528 1.00 0.12 H new ATOM 0 HB2 LEU A 50 -1.526 -0.380 0.539 1.00 0.12 H new ATOM 0 HB3 LEU A 50 -0.936 1.101 1.268 1.00 0.12 H new ATOM 0 HG LEU A 50 0.351 -1.630 1.626 1.00 0.11 H new ATOM 0 HD11 LEU A 50 2.112 -0.771 0.133 1.00 0.12 H new ATOM 0 HD12 LEU A 50 0.535 -0.856 -0.686 1.00 0.12 H new ATOM 0 HD13 LEU A 50 1.163 0.712 -0.125 1.00 0.12 H new ATOM 0 HD21 LEU A 50 2.238 -0.349 2.552 1.00 0.13 H new ATOM 0 HD22 LEU A 50 1.295 1.150 2.389 1.00 0.13 H new ATOM 0 HD23 LEU A 50 0.754 -0.124 3.507 1.00 0.13 H new ATOM 787 N VAL A 51 -4.027 -0.006 1.633 1.00 0.11 N ATOM 788 CA VAL A 51 -5.380 0.519 1.482 1.00 0.10 C ATOM 789 C VAL A 51 -6.222 0.244 2.745 1.00 0.10 C ATOM 790 O VAL A 51 -6.989 1.100 3.190 1.00 0.10 O ATOM 791 CB VAL A 51 -6.002 -0.109 0.241 1.00 0.11 C ATOM 792 CG1 VAL A 51 -7.328 -0.782 0.528 1.00 0.21 C ATOM 793 CG2 VAL A 51 -6.148 0.949 -0.831 1.00 0.18 C ATOM 0 H VAL A 51 -3.787 -0.744 0.971 1.00 0.11 H new ATOM 0 HA VAL A 51 -5.349 1.602 1.359 1.00 0.10 H new ATOM 0 HB VAL A 51 -5.335 -0.897 -0.108 1.00 0.11 H new ATOM 0 HG11 VAL A 51 -7.725 -1.212 -0.392 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -7.183 -1.572 1.265 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -8.032 -0.047 0.918 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -6.593 0.505 -1.722 1.00 0.18 H new ATOM 0 HG22 VAL A 51 -6.790 1.751 -0.466 1.00 0.18 H new ATOM 0 HG23 VAL A 51 -5.167 1.354 -1.079 1.00 0.18 H new ATOM 803 N GLU A 52 -6.020 -0.940 3.333 1.00 0.11 N ATOM 804 CA GLU A 52 -6.773 -1.388 4.511 1.00 0.12 C ATOM 805 C GLU A 52 -6.396 -0.566 5.739 1.00 0.13 C ATOM 806 O GLU A 52 -7.258 -0.023 6.427 1.00 0.16 O ATOM 807 CB GLU A 52 -6.460 -2.878 4.752 1.00 0.17 C ATOM 808 CG GLU A 52 -7.325 -3.590 5.788 1.00 0.50 C ATOM 809 CD GLU A 52 -6.943 -3.294 7.229 1.00 0.53 C ATOM 810 OE1 GLU A 52 -5.735 -3.170 7.521 1.00 0.74 O ATOM 811 OE2 GLU A 52 -7.852 -3.218 8.080 1.00 0.74 O ATOM 0 H GLU A 52 -5.329 -1.616 3.006 1.00 0.11 H new ATOM 0 HA GLU A 52 -7.840 -1.252 4.335 1.00 0.12 H new ATOM 0 HB2 GLU A 52 -6.557 -3.406 3.803 1.00 0.17 H new ATOM 0 HB3 GLU A 52 -5.418 -2.964 5.059 1.00 0.17 H new ATOM 0 HG2 GLU A 52 -8.366 -3.304 5.634 1.00 0.50 H new ATOM 0 HG3 GLU A 52 -7.261 -4.665 5.621 1.00 0.50 H new ATOM 818 N GLU A 53 -5.098 -0.439 5.974 1.00 0.13 N ATOM 819 CA GLU A 53 -4.591 0.163 7.198 1.00 0.15 C ATOM 820 C GLU A 53 -4.753 1.672 7.182 1.00 0.16 C ATOM 821 O GLU A 53 -4.866 2.300 8.235 1.00 0.19 O ATOM 822 CB GLU A 53 -3.124 -0.221 7.404 1.00 0.19 C ATOM 823 CG GLU A 53 -2.464 0.459 8.590 1.00 0.24 C ATOM 824 CD GLU A 53 -1.145 -0.184 8.966 1.00 0.84 C ATOM 825 OE1 GLU A 53 -1.162 -1.192 9.699 1.00 1.32 O ATOM 826 OE2 GLU A 53 -0.084 0.314 8.535 1.00 1.51 O ATOM 0 H GLU A 53 -4.372 -0.748 5.327 1.00 0.13 H new ATOM 0 HA GLU A 53 -5.177 -0.221 8.033 1.00 0.15 H new ATOM 0 HB2 GLU A 53 -3.058 -1.301 7.535 1.00 0.19 H new ATOM 0 HB3 GLU A 53 -2.565 0.025 6.501 1.00 0.19 H new ATOM 0 HG2 GLU A 53 -2.298 1.511 8.356 1.00 0.24 H new ATOM 0 HG3 GLU A 53 -3.138 0.425 9.446 1.00 0.24 H new ATOM 833 N ALA A 54 -4.788 2.256 5.986 1.00 0.16 N ATOM 834 CA ALA A 54 -4.940 3.699 5.857 1.00 0.18 C ATOM 835 C ALA A 54 -6.228 4.180 6.507 1.00 0.21 C ATOM 836 O ALA A 54 -6.309 5.308 6.983 1.00 0.30 O ATOM 837 CB ALA A 54 -4.909 4.102 4.397 1.00 0.24 C ATOM 0 H ALA A 54 -4.714 1.755 5.101 1.00 0.16 H new ATOM 0 HA ALA A 54 -4.105 4.171 6.375 1.00 0.18 H new ATOM 0 HB1 ALA A 54 -5.024 5.183 4.315 1.00 0.24 H new ATOM 0 HB2 ALA A 54 -3.957 3.804 3.957 1.00 0.24 H new ATOM 0 HB3 ALA A 54 -5.724 3.610 3.866 1.00 0.24 H new ATOM 843 N THR A 55 -7.238 3.331 6.504 1.00 0.25 N ATOM 844 CA THR A 55 -8.501 3.673 7.125 1.00 0.33 C ATOM 845 C THR A 55 -8.809 2.770 8.329 1.00 0.29 C ATOM 846 O THR A 55 -9.528 3.168 9.243 1.00 0.39 O ATOM 847 CB THR A 55 -9.638 3.617 6.090 1.00 0.51 C ATOM 848 OG1 THR A 55 -10.900 3.884 6.705 1.00 1.14 O ATOM 849 CG2 THR A 55 -9.669 2.265 5.386 1.00 1.66 C ATOM 0 H THR A 55 -7.208 2.404 6.080 1.00 0.25 H new ATOM 0 HA THR A 55 -8.421 4.693 7.502 1.00 0.33 H new ATOM 0 HB THR A 55 -9.447 4.389 5.344 1.00 0.51 H new ATOM 0 HG1 THR A 55 -11.079 4.847 6.679 1.00 1.14 H new ATOM 0 HG21 THR A 55 -10.482 2.252 4.660 1.00 1.66 H new ATOM 0 HG22 THR A 55 -8.721 2.100 4.873 1.00 1.66 H new ATOM 0 HG23 THR A 55 -9.826 1.476 6.121 1.00 1.66 H new ATOM 857 N GLY A 56 -8.234 1.570 8.340 1.00 0.25 N ATOM 858 CA GLY A 56 -8.497 0.624 9.411 1.00 0.26 C ATOM 859 C GLY A 56 -9.720 -0.227 9.117 1.00 0.29 C ATOM 860 O GLY A 56 -10.304 -0.838 10.014 1.00 0.34 O ATOM 0 H GLY A 56 -7.589 1.235 7.624 1.00 0.25 H new ATOM 0 HA2 GLY A 56 -7.629 -0.021 9.549 1.00 0.26 H new ATOM 0 HA3 GLY A 56 -8.645 1.164 10.346 1.00 0.26 H new ATOM 864 N VAL A 57 -10.092 -0.266 7.850 1.00 0.30 N ATOM 865 CA VAL A 57 -11.319 -0.905 7.403 1.00 0.36 C ATOM 866 C VAL A 57 -11.015 -2.237 6.718 1.00 0.29 C ATOM 867 O VAL A 57 -10.000 -2.370 6.047 1.00 0.26 O ATOM 868 CB VAL A 57 -12.051 0.059 6.448 1.00 0.50 C ATOM 869 CG1 VAL A 57 -13.294 -0.553 5.837 1.00 1.62 C ATOM 870 CG2 VAL A 57 -12.411 1.321 7.196 1.00 1.33 C ATOM 0 H VAL A 57 -9.546 0.149 7.095 1.00 0.30 H new ATOM 0 HA VAL A 57 -11.958 -1.122 8.259 1.00 0.36 H new ATOM 0 HB VAL A 57 -11.374 0.284 5.624 1.00 0.50 H new ATOM 0 HG11 VAL A 57 -13.768 0.171 5.174 1.00 1.62 H new ATOM 0 HG12 VAL A 57 -13.020 -1.441 5.268 1.00 1.62 H new ATOM 0 HG13 VAL A 57 -13.990 -0.830 6.629 1.00 1.62 H new ATOM 0 HG21 VAL A 57 -12.929 2.006 6.525 1.00 1.33 H new ATOM 0 HG22 VAL A 57 -13.061 1.074 8.035 1.00 1.33 H new ATOM 0 HG23 VAL A 57 -11.503 1.795 7.568 1.00 1.33 H new ATOM 880 N PRO A 58 -11.890 -3.244 6.899 1.00 0.32 N ATOM 881 CA PRO A 58 -11.695 -4.605 6.366 1.00 0.34 C ATOM 882 C PRO A 58 -11.653 -4.672 4.846 1.00 0.31 C ATOM 883 O PRO A 58 -12.264 -3.868 4.140 1.00 0.27 O ATOM 884 CB PRO A 58 -12.940 -5.344 6.849 1.00 0.39 C ATOM 885 CG PRO A 58 -13.938 -4.256 7.001 1.00 0.39 C ATOM 886 CD PRO A 58 -13.161 -3.146 7.628 1.00 0.37 C ATOM 0 HA PRO A 58 -10.741 -5.014 6.698 1.00 0.34 H new ATOM 0 HB2 PRO A 58 -13.268 -6.095 6.130 1.00 0.39 H new ATOM 0 HB3 PRO A 58 -12.761 -5.862 7.791 1.00 0.39 H new ATOM 0 HG2 PRO A 58 -14.355 -3.959 6.039 1.00 0.39 H new ATOM 0 HG3 PRO A 58 -14.774 -4.564 7.629 1.00 0.39 H new ATOM 0 HD2 PRO A 58 -13.642 -2.177 7.490 1.00 0.37 H new ATOM 0 HD3 PRO A 58 -13.033 -3.288 8.701 1.00 0.37 H new ATOM 894 N LEU A 59 -10.958 -5.708 4.379 1.00 0.35 N ATOM 895 CA LEU A 59 -10.713 -5.968 2.961 1.00 0.36 C ATOM 896 C LEU A 59 -11.966 -5.879 2.073 1.00 0.36 C ATOM 897 O LEU A 59 -11.875 -5.340 0.976 1.00 0.37 O ATOM 898 CB LEU A 59 -10.051 -7.343 2.778 1.00 0.45 C ATOM 899 CG LEU A 59 -8.584 -7.448 3.220 1.00 1.21 C ATOM 900 CD1 LEU A 59 -8.454 -7.402 4.736 1.00 1.79 C ATOM 901 CD2 LEU A 59 -7.958 -8.720 2.674 1.00 2.08 C ATOM 0 H LEU A 59 -10.539 -6.408 4.992 1.00 0.35 H new ATOM 0 HA LEU A 59 -10.046 -5.171 2.630 1.00 0.36 H new ATOM 0 HB2 LEU A 59 -10.631 -8.080 3.334 1.00 0.45 H new ATOM 0 HB3 LEU A 59 -10.113 -7.617 1.725 1.00 0.45 H new ATOM 0 HG LEU A 59 -8.051 -6.588 2.814 1.00 1.21 H new ATOM 0 HD11 LEU A 59 -7.403 -7.479 5.014 1.00 1.79 H new ATOM 0 HD12 LEU A 59 -8.860 -6.461 5.108 1.00 1.79 H new ATOM 0 HD13 LEU A 59 -9.006 -8.233 5.174 1.00 1.79 H new ATOM 0 HD21 LEU A 59 -6.918 -8.781 2.995 1.00 2.08 H new ATOM 0 HD22 LEU A 59 -8.505 -9.585 3.049 1.00 2.08 H new ATOM 0 HD23 LEU A 59 -8.001 -8.708 1.585 1.00 2.08 H new ATOM 913 N PRO A 60 -13.142 -6.420 2.487 1.00 0.38 N ATOM 914 CA PRO A 60 -14.348 -6.399 1.643 1.00 0.41 C ATOM 915 C PRO A 60 -14.923 -4.997 1.445 1.00 0.38 C ATOM 916 O PRO A 60 -15.687 -4.760 0.510 1.00 0.46 O ATOM 917 CB PRO A 60 -15.348 -7.283 2.396 1.00 0.47 C ATOM 918 CG PRO A 60 -14.532 -8.021 3.393 1.00 0.52 C ATOM 919 CD PRO A 60 -13.418 -7.094 3.764 1.00 0.42 C ATOM 0 HA PRO A 60 -14.122 -6.750 0.636 1.00 0.41 H new ATOM 0 HB2 PRO A 60 -16.118 -6.683 2.882 1.00 0.47 H new ATOM 0 HB3 PRO A 60 -15.858 -7.968 1.718 1.00 0.47 H new ATOM 0 HG2 PRO A 60 -15.127 -8.288 4.266 1.00 0.52 H new ATOM 0 HG3 PRO A 60 -14.146 -8.950 2.974 1.00 0.52 H new ATOM 0 HD2 PRO A 60 -13.715 -6.390 4.541 1.00 0.42 H new ATOM 0 HD3 PRO A 60 -12.547 -7.632 4.138 1.00 0.42 H new ATOM 927 N PHE A 61 -14.560 -4.069 2.327 1.00 0.33 N ATOM 928 CA PHE A 61 -15.115 -2.720 2.286 1.00 0.34 C ATOM 929 C PHE A 61 -14.342 -1.816 1.343 1.00 0.28 C ATOM 930 O PHE A 61 -14.869 -0.807 0.864 1.00 0.31 O ATOM 931 CB PHE A 61 -15.116 -2.117 3.681 1.00 0.37 C ATOM 932 CG PHE A 61 -16.405 -2.324 4.421 1.00 0.44 C ATOM 933 CD1 PHE A 61 -16.668 -3.523 5.064 1.00 0.45 C ATOM 934 CD2 PHE A 61 -17.358 -1.318 4.475 1.00 0.66 C ATOM 935 CE1 PHE A 61 -17.855 -3.717 5.745 1.00 0.56 C ATOM 936 CE2 PHE A 61 -18.547 -1.505 5.154 1.00 0.77 C ATOM 937 CZ PHE A 61 -18.795 -2.707 5.791 1.00 0.68 C ATOM 0 H PHE A 61 -13.886 -4.226 3.076 1.00 0.33 H new ATOM 0 HA PHE A 61 -16.136 -2.798 1.913 1.00 0.34 H new ATOM 0 HB2 PHE A 61 -14.301 -2.554 4.258 1.00 0.37 H new ATOM 0 HB3 PHE A 61 -14.917 -1.048 3.606 1.00 0.37 H new ATOM 0 HD1 PHE A 61 -15.936 -4.316 5.033 1.00 0.45 H new ATOM 0 HD2 PHE A 61 -17.169 -0.377 3.980 1.00 0.66 H new ATOM 0 HE1 PHE A 61 -18.047 -4.657 6.240 1.00 0.56 H new ATOM 0 HE2 PHE A 61 -19.281 -0.714 5.187 1.00 0.77 H new ATOM 0 HZ PHE A 61 -19.723 -2.855 6.324 1.00 0.68 H new ATOM 947 N GLN A 62 -13.113 -2.184 1.042 1.00 0.22 N ATOM 948 CA GLN A 62 -12.317 -1.401 0.126 1.00 0.19 C ATOM 949 C GLN A 62 -11.995 -2.201 -1.119 1.00 0.19 C ATOM 950 O GLN A 62 -11.683 -3.387 -1.048 1.00 0.33 O ATOM 951 CB GLN A 62 -11.010 -0.927 0.753 1.00 0.19 C ATOM 952 CG GLN A 62 -10.166 -2.042 1.325 1.00 0.25 C ATOM 953 CD GLN A 62 -9.811 -1.815 2.771 1.00 0.40 C ATOM 954 OE1 GLN A 62 -9.725 -0.678 3.236 1.00 0.96 O ATOM 955 NE2 GLN A 62 -9.583 -2.896 3.484 1.00 0.29 N ATOM 0 H GLN A 62 -12.649 -3.012 1.415 1.00 0.22 H new ATOM 0 HA GLN A 62 -12.914 -0.526 -0.131 1.00 0.19 H new ATOM 0 HB2 GLN A 62 -10.429 -0.395 -0.000 1.00 0.19 H new ATOM 0 HB3 GLN A 62 -11.236 -0.213 1.545 1.00 0.19 H new ATOM 0 HG2 GLN A 62 -10.704 -2.985 1.230 1.00 0.25 H new ATOM 0 HG3 GLN A 62 -9.251 -2.137 0.740 1.00 0.25 H new ATOM 0 HE21 GLN A 62 -9.667 -3.817 3.054 1.00 0.29 H new ATOM 0 HE22 GLN A 62 -9.322 -2.813 4.467 1.00 0.29 H new ATOM 964 N LYS A 63 -12.080 -1.561 -2.259 1.00 0.19 N ATOM 965 CA LYS A 63 -11.615 -2.169 -3.482 1.00 0.18 C ATOM 966 C LYS A 63 -10.300 -1.527 -3.871 1.00 0.13 C ATOM 967 O LYS A 63 -10.278 -0.520 -4.578 1.00 0.14 O ATOM 968 CB LYS A 63 -12.640 -2.010 -4.604 1.00 0.26 C ATOM 969 CG LYS A 63 -14.009 -2.579 -4.270 1.00 1.14 C ATOM 970 CD LYS A 63 -13.942 -4.066 -3.976 1.00 1.68 C ATOM 971 CE LYS A 63 -15.310 -4.617 -3.614 1.00 2.52 C ATOM 972 NZ LYS A 63 -15.250 -6.059 -3.267 1.00 3.15 N ATOM 0 H LYS A 63 -12.465 -0.623 -2.366 1.00 0.19 H new ATOM 0 HA LYS A 63 -11.475 -3.238 -3.320 1.00 0.18 H new ATOM 0 HB2 LYS A 63 -12.745 -0.951 -4.840 1.00 0.26 H new ATOM 0 HB3 LYS A 63 -12.262 -2.501 -5.501 1.00 0.26 H new ATOM 0 HG2 LYS A 63 -14.420 -2.056 -3.407 1.00 1.14 H new ATOM 0 HG3 LYS A 63 -14.689 -2.403 -5.103 1.00 1.14 H new ATOM 0 HD2 LYS A 63 -13.553 -4.594 -4.847 1.00 1.68 H new ATOM 0 HD3 LYS A 63 -13.246 -4.246 -3.157 1.00 1.68 H new ATOM 0 HE2 LYS A 63 -15.716 -4.057 -2.771 1.00 2.52 H new ATOM 0 HE3 LYS A 63 -15.993 -4.473 -4.451 1.00 2.52 H new ATOM 0 HZ1 LYS A 63 -16.203 -6.398 -3.026 1.00 3.15 H new ATOM 0 HZ2 LYS A 63 -14.887 -6.597 -4.080 1.00 3.15 H new ATOM 0 HZ3 LYS A 63 -14.618 -6.194 -2.452 1.00 3.15 H new ATOM 986 N LEU A 64 -9.207 -2.104 -3.400 1.00 0.12 N ATOM 987 CA LEU A 64 -7.898 -1.543 -3.645 1.00 0.10 C ATOM 988 C LEU A 64 -7.461 -1.896 -5.042 1.00 0.12 C ATOM 989 O LEU A 64 -7.377 -3.073 -5.407 1.00 0.14 O ATOM 990 CB LEU A 64 -6.892 -2.046 -2.588 1.00 0.11 C ATOM 991 CG LEU A 64 -5.384 -1.846 -2.861 1.00 0.13 C ATOM 992 CD1 LEU A 64 -4.791 -2.995 -3.667 1.00 0.48 C ATOM 993 CD2 LEU A 64 -5.114 -0.533 -3.565 1.00 0.51 C ATOM 0 H LEU A 64 -9.205 -2.961 -2.846 1.00 0.12 H new ATOM 0 HA LEU A 64 -7.939 -0.457 -3.561 1.00 0.10 H new ATOM 0 HB2 LEU A 64 -7.127 -1.554 -1.644 1.00 0.11 H new ATOM 0 HB3 LEU A 64 -7.066 -3.112 -2.444 1.00 0.11 H new ATOM 0 HG LEU A 64 -4.897 -1.827 -1.886 1.00 0.13 H new ATOM 0 HD11 LEU A 64 -3.730 -2.812 -3.835 1.00 0.48 H new ATOM 0 HD12 LEU A 64 -4.916 -3.928 -3.117 1.00 0.48 H new ATOM 0 HD13 LEU A 64 -5.303 -3.069 -4.627 1.00 0.48 H new ATOM 0 HD21 LEU A 64 -4.043 -0.427 -3.740 1.00 0.51 H new ATOM 0 HD22 LEU A 64 -5.641 -0.517 -4.519 1.00 0.51 H new ATOM 0 HD23 LEU A 64 -5.463 0.292 -2.943 1.00 0.51 H new ATOM 1005 N ILE A 65 -7.240 -0.841 -5.810 1.00 0.12 N ATOM 1006 CA ILE A 65 -6.689 -0.925 -7.138 1.00 0.14 C ATOM 1007 C ILE A 65 -5.478 -0.007 -7.218 1.00 0.15 C ATOM 1008 O ILE A 65 -5.610 1.223 -7.144 1.00 0.16 O ATOM 1009 CB ILE A 65 -7.722 -0.413 -8.144 1.00 0.16 C ATOM 1010 CG1 ILE A 65 -9.042 -1.181 -8.005 1.00 0.17 C ATOM 1011 CG2 ILE A 65 -7.188 -0.500 -9.568 1.00 0.20 C ATOM 1012 CD1 ILE A 65 -10.150 -0.648 -8.887 1.00 1.20 C ATOM 0 H ILE A 65 -7.445 0.113 -5.514 1.00 0.12 H new ATOM 0 HA ILE A 65 -6.418 -1.958 -7.358 1.00 0.14 H new ATOM 0 HB ILE A 65 -7.916 0.637 -7.924 1.00 0.16 H new ATOM 0 HG12 ILE A 65 -8.869 -2.230 -8.247 1.00 0.17 H new ATOM 0 HG13 ILE A 65 -9.367 -1.143 -6.965 1.00 0.17 H new ATOM 0 HG21 ILE A 65 -7.942 -0.130 -10.263 1.00 0.20 H new ATOM 0 HG22 ILE A 65 -6.286 0.105 -9.656 1.00 0.20 H new ATOM 0 HG23 ILE A 65 -6.954 -1.538 -9.806 1.00 0.20 H new ATOM 0 HD11 ILE A 65 -11.053 -1.240 -8.735 1.00 1.20 H new ATOM 0 HD12 ILE A 65 -10.351 0.392 -8.630 1.00 1.20 H new ATOM 0 HD13 ILE A 65 -9.846 -0.712 -9.932 1.00 1.20 H new ATOM 1024 N PHE A 66 -4.306 -0.596 -7.266 1.00 0.17 N ATOM 1025 CA PHE A 66 -3.085 0.129 -7.547 1.00 0.18 C ATOM 1026 C PHE A 66 -1.946 -0.830 -7.808 1.00 0.20 C ATOM 1027 O PHE A 66 -2.010 -1.972 -7.362 1.00 0.20 O ATOM 1028 CB PHE A 66 -2.742 1.187 -6.530 1.00 0.19 C ATOM 1029 CG PHE A 66 -2.698 2.556 -7.165 1.00 0.23 C ATOM 1030 CD1 PHE A 66 -2.003 2.757 -8.347 1.00 0.45 C ATOM 1031 CD2 PHE A 66 -3.357 3.631 -6.597 1.00 0.25 C ATOM 1032 CE1 PHE A 66 -1.969 3.999 -8.948 1.00 0.51 C ATOM 1033 CE2 PHE A 66 -3.323 4.878 -7.192 1.00 0.28 C ATOM 1034 CZ PHE A 66 -2.628 5.062 -8.369 1.00 0.36 C ATOM 0 H PHE A 66 -4.170 -1.595 -7.111 1.00 0.17 H new ATOM 0 HA PHE A 66 -3.265 0.697 -8.460 1.00 0.18 H new ATOM 0 HB2 PHE A 66 -3.480 1.178 -5.728 1.00 0.19 H new ATOM 0 HB3 PHE A 66 -1.777 0.961 -6.077 1.00 0.19 H new ATOM 0 HD1 PHE A 66 -1.480 1.930 -8.804 1.00 0.45 H new ATOM 0 HD2 PHE A 66 -3.905 3.494 -5.677 1.00 0.25 H new ATOM 0 HE1 PHE A 66 -1.426 4.138 -9.871 1.00 0.51 H new ATOM 0 HE2 PHE A 66 -3.841 5.708 -6.735 1.00 0.28 H new ATOM 0 HZ PHE A 66 -2.600 6.036 -8.835 1.00 0.36 H new ATOM 1044 N LYS A 67 -0.983 -0.410 -8.621 1.00 0.22 N ATOM 1045 CA LYS A 67 0.205 -1.208 -8.961 1.00 0.25 C ATOM 1046 C LYS A 67 -0.196 -2.442 -9.745 1.00 0.28 C ATOM 1047 O LYS A 67 0.444 -3.492 -9.651 1.00 0.32 O ATOM 1048 CB LYS A 67 1.095 -1.620 -7.734 1.00 0.25 C ATOM 1049 CG LYS A 67 0.471 -1.608 -6.320 1.00 0.18 C ATOM 1050 CD LYS A 67 1.368 -2.337 -5.313 1.00 0.21 C ATOM 1051 CE LYS A 67 0.780 -2.361 -3.908 1.00 0.18 C ATOM 1052 NZ LYS A 67 1.817 -2.136 -2.853 1.00 0.19 N ATOM 0 H LYS A 67 -0.999 0.505 -9.072 1.00 0.22 H new ATOM 0 HA LYS A 67 0.827 -0.552 -9.570 1.00 0.25 H new ATOM 0 HB2 LYS A 67 1.468 -2.627 -7.921 1.00 0.25 H new ATOM 0 HB3 LYS A 67 1.960 -0.958 -7.718 1.00 0.25 H new ATOM 0 HG2 LYS A 67 0.317 -0.579 -5.996 1.00 0.18 H new ATOM 0 HG3 LYS A 67 -0.510 -2.083 -6.348 1.00 0.18 H new ATOM 0 HD2 LYS A 67 1.530 -3.360 -5.652 1.00 0.21 H new ATOM 0 HD3 LYS A 67 2.344 -1.852 -5.285 1.00 0.21 H new ATOM 0 HE2 LYS A 67 0.010 -1.594 -3.826 1.00 0.18 H new ATOM 0 HE3 LYS A 67 0.293 -3.321 -3.737 1.00 0.18 H new ATOM 0 HZ1 LYS A 67 1.428 -2.393 -1.923 1.00 0.19 H new ATOM 0 HZ2 LYS A 67 2.650 -2.725 -3.054 1.00 0.19 H new ATOM 0 HZ3 LYS A 67 2.095 -1.134 -2.847 1.00 0.19 H new ATOM 1066 N GLY A 68 -1.261 -2.292 -10.532 1.00 0.31 N ATOM 1067 CA GLY A 68 -1.809 -3.403 -11.287 1.00 0.38 C ATOM 1068 C GLY A 68 -2.313 -4.482 -10.372 1.00 0.38 C ATOM 1069 O GLY A 68 -2.621 -5.598 -10.794 1.00 0.47 O ATOM 0 H GLY A 68 -1.757 -1.410 -10.659 1.00 0.31 H new ATOM 0 HA2 GLY A 68 -2.623 -3.050 -11.921 1.00 0.38 H new ATOM 0 HA3 GLY A 68 -1.044 -3.810 -11.948 1.00 0.38 H new ATOM 1073 N LYS A 69 -2.403 -4.127 -9.111 1.00 0.30 N ATOM 1074 CA LYS A 69 -2.801 -5.045 -8.082 1.00 0.33 C ATOM 1075 C LYS A 69 -4.113 -4.632 -7.471 1.00 0.24 C ATOM 1076 O LYS A 69 -4.425 -3.445 -7.350 1.00 0.23 O ATOM 1077 CB LYS A 69 -1.734 -5.116 -7.001 1.00 0.41 C ATOM 1078 CG LYS A 69 -0.419 -5.654 -7.512 1.00 0.62 C ATOM 1079 CD LYS A 69 0.615 -5.741 -6.414 1.00 0.58 C ATOM 1080 CE LYS A 69 1.665 -6.774 -6.760 1.00 0.44 C ATOM 1081 NZ LYS A 69 2.253 -6.526 -8.100 1.00 1.21 N ATOM 0 H LYS A 69 -2.200 -3.186 -8.774 1.00 0.30 H new ATOM 0 HA LYS A 69 -2.923 -6.029 -8.536 1.00 0.33 H new ATOM 0 HB2 LYS A 69 -1.577 -4.121 -6.585 1.00 0.41 H new ATOM 0 HB3 LYS A 69 -2.089 -5.749 -6.187 1.00 0.41 H new ATOM 0 HG2 LYS A 69 -0.574 -6.642 -7.945 1.00 0.62 H new ATOM 0 HG3 LYS A 69 -0.049 -5.011 -8.310 1.00 0.62 H new ATOM 0 HD2 LYS A 69 1.086 -4.768 -6.271 1.00 0.58 H new ATOM 0 HD3 LYS A 69 0.133 -6.004 -5.472 1.00 0.58 H new ATOM 0 HE2 LYS A 69 2.453 -6.759 -6.007 1.00 0.44 H new ATOM 0 HE3 LYS A 69 1.220 -7.769 -6.735 1.00 0.44 H new ATOM 0 HZ1 LYS A 69 2.727 -7.389 -8.436 1.00 1.21 H new ATOM 0 HZ2 LYS A 69 1.499 -6.263 -8.767 1.00 1.21 H new ATOM 0 HZ3 LYS A 69 2.945 -5.752 -8.038 1.00 1.21 H new ATOM 1095 N SER A 70 -4.884 -5.622 -7.109 1.00 0.23 N ATOM 1096 CA SER A 70 -6.100 -5.401 -6.388 1.00 0.21 C ATOM 1097 C SER A 70 -5.990 -6.120 -5.054 1.00 0.23 C ATOM 1098 O SER A 70 -5.315 -7.142 -4.961 1.00 0.31 O ATOM 1099 CB SER A 70 -7.289 -5.891 -7.209 1.00 0.24 C ATOM 1100 OG SER A 70 -8.517 -5.480 -6.633 1.00 1.27 O ATOM 0 H SER A 70 -4.684 -6.602 -7.307 1.00 0.23 H new ATOM 0 HA SER A 70 -6.260 -4.339 -6.204 1.00 0.21 H new ATOM 0 HB2 SER A 70 -7.215 -5.506 -8.226 1.00 0.24 H new ATOM 0 HB3 SER A 70 -7.263 -6.979 -7.277 1.00 0.24 H new ATOM 0 HG SER A 70 -8.383 -4.645 -6.138 1.00 1.27 H new ATOM 1106 N LEU A 71 -6.629 -5.582 -4.024 1.00 0.19 N ATOM 1107 CA LEU A 71 -6.383 -6.055 -2.655 1.00 0.21 C ATOM 1108 C LEU A 71 -6.881 -7.477 -2.412 1.00 0.26 C ATOM 1109 O LEU A 71 -7.939 -7.884 -2.892 1.00 0.32 O ATOM 1110 CB LEU A 71 -6.956 -5.076 -1.600 1.00 0.23 C ATOM 1111 CG LEU A 71 -8.482 -5.081 -1.330 1.00 0.31 C ATOM 1112 CD1 LEU A 71 -9.296 -5.168 -2.611 1.00 1.34 C ATOM 1113 CD2 LEU A 71 -8.872 -6.189 -0.363 1.00 1.21 C ATOM 0 H LEU A 71 -7.313 -4.829 -4.100 1.00 0.19 H new ATOM 0 HA LEU A 71 -5.299 -6.083 -2.540 1.00 0.21 H new ATOM 0 HB2 LEU A 71 -6.453 -5.278 -0.654 1.00 0.23 H new ATOM 0 HB3 LEU A 71 -6.677 -4.066 -1.901 1.00 0.23 H new ATOM 0 HG LEU A 71 -8.718 -4.124 -0.864 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -10.358 -5.168 -2.368 1.00 1.34 H new ATOM 0 HD12 LEU A 71 -9.069 -4.311 -3.245 1.00 1.34 H new ATOM 0 HD13 LEU A 71 -9.045 -6.087 -3.140 1.00 1.34 H new ATOM 0 HD21 LEU A 71 -9.949 -6.164 -0.196 1.00 1.21 H new ATOM 0 HD22 LEU A 71 -8.593 -7.155 -0.784 1.00 1.21 H new ATOM 0 HD23 LEU A 71 -8.354 -6.043 0.585 1.00 1.21 H new ATOM 1179 N GLU A 75 -2.402 -11.931 -2.781 1.00 0.35 N ATOM 1180 CA GLU A 75 -2.777 -11.602 -4.136 1.00 0.33 C ATOM 1181 C GLU A 75 -1.615 -11.771 -5.123 1.00 0.30 C ATOM 1182 O GLU A 75 -1.290 -12.889 -5.524 1.00 0.49 O ATOM 1183 CB GLU A 75 -3.327 -10.173 -4.158 1.00 0.38 C ATOM 1184 CG GLU A 75 -3.850 -9.716 -5.511 1.00 0.92 C ATOM 1185 CD GLU A 75 -4.810 -10.706 -6.133 1.00 1.67 C ATOM 1186 OE1 GLU A 75 -6.007 -10.679 -5.793 1.00 2.49 O ATOM 1187 OE2 GLU A 75 -4.371 -11.518 -6.971 1.00 2.03 O ATOM 0 HA GLU A 75 -3.548 -12.299 -4.465 1.00 0.33 H new ATOM 0 HB2 GLU A 75 -4.132 -10.096 -3.427 1.00 0.38 H new ATOM 0 HB3 GLU A 75 -2.540 -9.490 -3.838 1.00 0.38 H new ATOM 0 HG2 GLU A 75 -4.351 -8.755 -5.396 1.00 0.92 H new ATOM 0 HG3 GLU A 75 -3.009 -9.559 -6.186 1.00 0.92 H new ATOM 1194 N THR A 76 -0.988 -10.667 -5.498 1.00 0.27 N ATOM 1195 CA THR A 76 -0.045 -10.662 -6.612 1.00 0.26 C ATOM 1196 C THR A 76 1.424 -10.561 -6.179 1.00 0.17 C ATOM 1197 O THR A 76 1.718 -10.048 -5.104 1.00 0.18 O ATOM 1198 CB THR A 76 -0.392 -9.532 -7.589 1.00 0.40 C ATOM 1199 OG1 THR A 76 -1.075 -8.489 -6.886 1.00 0.49 O ATOM 1200 CG2 THR A 76 -1.266 -10.044 -8.725 1.00 0.69 C ATOM 0 H THR A 76 -1.114 -9.760 -5.048 1.00 0.27 H new ATOM 0 HA THR A 76 -0.147 -11.628 -7.106 1.00 0.26 H new ATOM 0 HB THR A 76 0.533 -9.146 -8.017 1.00 0.40 H new ATOM 0 HG1 THR A 76 -1.858 -8.205 -7.402 1.00 0.49 H new ATOM 0 HG21 THR A 76 -1.498 -9.223 -9.404 1.00 0.69 H new ATOM 0 HG22 THR A 76 -0.735 -10.826 -9.269 1.00 0.69 H new ATOM 0 HG23 THR A 76 -2.192 -10.450 -8.317 1.00 0.69 H new ATOM 1208 N PRO A 77 2.342 -11.096 -7.022 1.00 0.19 N ATOM 1209 CA PRO A 77 3.802 -11.123 -6.814 1.00 0.18 C ATOM 1210 C PRO A 77 4.386 -10.019 -5.922 1.00 0.14 C ATOM 1211 O PRO A 77 4.162 -8.823 -6.135 1.00 0.16 O ATOM 1212 CB PRO A 77 4.306 -10.974 -8.240 1.00 0.30 C ATOM 1213 CG PRO A 77 3.325 -11.751 -9.061 1.00 0.36 C ATOM 1214 CD PRO A 77 2.017 -11.757 -8.300 1.00 0.28 C ATOM 0 HA PRO A 77 4.101 -12.023 -6.277 1.00 0.18 H new ATOM 0 HB2 PRO A 77 4.338 -9.928 -8.543 1.00 0.30 H new ATOM 0 HB3 PRO A 77 5.316 -11.369 -8.348 1.00 0.30 H new ATOM 0 HG2 PRO A 77 3.198 -11.295 -10.043 1.00 0.36 H new ATOM 0 HG3 PRO A 77 3.680 -12.768 -9.225 1.00 0.36 H new ATOM 0 HD2 PRO A 77 1.239 -11.219 -8.841 1.00 0.28 H new ATOM 0 HD3 PRO A 77 1.652 -12.772 -8.142 1.00 0.28 H new ATOM 1222 N LEU A 78 5.167 -10.473 -4.947 1.00 0.14 N ATOM 1223 CA LEU A 78 5.774 -9.637 -3.912 1.00 0.15 C ATOM 1224 C LEU A 78 6.820 -8.665 -4.452 1.00 0.16 C ATOM 1225 O LEU A 78 6.896 -7.524 -4.020 1.00 0.16 O ATOM 1226 CB LEU A 78 6.395 -10.524 -2.838 1.00 0.19 C ATOM 1227 CG LEU A 78 5.385 -11.308 -2.019 1.00 0.19 C ATOM 1228 CD1 LEU A 78 4.907 -12.546 -2.766 1.00 0.22 C ATOM 1229 CD2 LEU A 78 5.969 -11.700 -0.676 1.00 0.24 C ATOM 0 H LEU A 78 5.403 -11.461 -4.851 1.00 0.14 H new ATOM 0 HA LEU A 78 4.975 -9.027 -3.490 1.00 0.15 H new ATOM 0 HB2 LEU A 78 7.083 -11.224 -3.313 1.00 0.19 H new ATOM 0 HB3 LEU A 78 6.987 -9.902 -2.166 1.00 0.19 H new ATOM 0 HG LEU A 78 4.525 -10.660 -1.851 1.00 0.19 H new ATOM 0 HD11 LEU A 78 4.185 -13.085 -2.153 1.00 0.22 H new ATOM 0 HD12 LEU A 78 4.436 -12.247 -3.702 1.00 0.22 H new ATOM 0 HD13 LEU A 78 5.758 -13.194 -2.979 1.00 0.22 H new ATOM 0 HD21 LEU A 78 5.228 -12.261 -0.107 1.00 0.24 H new ATOM 0 HD22 LEU A 78 6.853 -12.319 -0.830 1.00 0.24 H new ATOM 0 HD23 LEU A 78 6.247 -10.802 -0.124 1.00 0.24 H new ATOM 1241 N SER A 79 7.649 -9.113 -5.371 1.00 0.18 N ATOM 1242 CA SER A 79 8.643 -8.228 -5.962 1.00 0.22 C ATOM 1243 C SER A 79 7.946 -7.065 -6.669 1.00 0.22 C ATOM 1244 O SER A 79 8.401 -5.923 -6.641 1.00 0.24 O ATOM 1245 CB SER A 79 9.550 -9.000 -6.919 1.00 0.27 C ATOM 1246 OG SER A 79 10.151 -10.108 -6.262 1.00 1.17 O ATOM 0 H SER A 79 7.659 -10.070 -5.724 1.00 0.18 H new ATOM 0 HA SER A 79 9.273 -7.820 -5.172 1.00 0.22 H new ATOM 0 HB2 SER A 79 8.971 -9.349 -7.774 1.00 0.27 H new ATOM 0 HB3 SER A 79 10.324 -8.338 -7.307 1.00 0.27 H new ATOM 0 HG SER A 79 10.541 -9.813 -5.413 1.00 1.17 H new ATOM 1252 N ALA A 80 6.821 -7.382 -7.280 1.00 0.20 N ATOM 1253 CA ALA A 80 5.987 -6.409 -7.964 1.00 0.22 C ATOM 1254 C ALA A 80 5.122 -5.603 -6.976 1.00 0.18 C ATOM 1255 O ALA A 80 4.318 -4.765 -7.389 1.00 0.19 O ATOM 1256 CB ALA A 80 5.126 -7.103 -9.006 1.00 0.27 C ATOM 0 H ALA A 80 6.455 -8.333 -7.317 1.00 0.20 H new ATOM 0 HA ALA A 80 6.641 -5.697 -8.467 1.00 0.22 H new ATOM 0 HB1 ALA A 80 4.504 -6.366 -9.514 1.00 0.27 H new ATOM 0 HB2 ALA A 80 5.766 -7.601 -9.734 1.00 0.27 H new ATOM 0 HB3 ALA A 80 4.489 -7.841 -8.519 1.00 0.27 H new ATOM 1262 N LEU A 81 5.274 -5.878 -5.678 1.00 0.14 N ATOM 1263 CA LEU A 81 4.384 -5.357 -4.633 1.00 0.13 C ATOM 1264 C LEU A 81 4.583 -3.847 -4.371 1.00 0.12 C ATOM 1265 O LEU A 81 4.166 -3.341 -3.334 1.00 0.11 O ATOM 1266 CB LEU A 81 4.580 -6.144 -3.325 1.00 0.13 C ATOM 1267 CG LEU A 81 3.304 -6.622 -2.621 1.00 0.15 C ATOM 1268 CD1 LEU A 81 2.323 -5.486 -2.418 1.00 0.16 C ATOM 1269 CD2 LEU A 81 2.660 -7.745 -3.406 1.00 0.19 C ATOM 0 H LEU A 81 6.022 -6.472 -5.319 1.00 0.14 H new ATOM 0 HA LEU A 81 3.365 -5.488 -4.997 1.00 0.13 H new ATOM 0 HB2 LEU A 81 5.199 -7.015 -3.540 1.00 0.13 H new ATOM 0 HB3 LEU A 81 5.140 -5.518 -2.630 1.00 0.13 H new ATOM 0 HG LEU A 81 3.585 -6.995 -1.636 1.00 0.15 H new ATOM 0 HD11 LEU A 81 1.431 -5.861 -1.917 1.00 0.16 H new ATOM 0 HD12 LEU A 81 2.785 -4.711 -1.806 1.00 0.16 H new ATOM 0 HD13 LEU A 81 2.046 -5.067 -3.385 1.00 0.16 H new ATOM 0 HD21 LEU A 81 1.756 -8.074 -2.895 1.00 0.19 H new ATOM 0 HD22 LEU A 81 2.404 -7.391 -4.404 1.00 0.19 H new ATOM 0 HD23 LEU A 81 3.356 -8.580 -3.485 1.00 0.19 H new ATOM 1281 N GLY A 82 5.201 -3.111 -5.297 1.00 0.12 N ATOM 1282 CA GLY A 82 5.357 -1.677 -5.081 1.00 0.12 C ATOM 1283 C GLY A 82 6.728 -1.256 -4.617 1.00 0.11 C ATOM 1284 O GLY A 82 6.829 -0.373 -3.768 1.00 0.12 O ATOM 0 H GLY A 82 5.587 -3.469 -6.171 1.00 0.12 H new ATOM 0 HA2 GLY A 82 5.127 -1.156 -6.010 1.00 0.12 H new ATOM 0 HA3 GLY A 82 4.623 -1.352 -4.343 1.00 0.12 H new ATOM 1288 N MET A 83 7.787 -1.888 -5.135 1.00 0.13 N ATOM 1289 CA MET A 83 9.133 -1.492 -4.733 1.00 0.15 C ATOM 1290 C MET A 83 9.474 -0.088 -5.240 1.00 0.15 C ATOM 1291 O MET A 83 10.105 0.091 -6.271 1.00 0.19 O ATOM 1292 CB MET A 83 10.160 -2.513 -5.252 1.00 0.20 C ATOM 1293 CG MET A 83 10.059 -2.826 -6.738 1.00 0.49 C ATOM 1294 SD MET A 83 11.256 -4.071 -7.262 1.00 0.97 S ATOM 1295 CE MET A 83 10.859 -4.212 -9.003 1.00 1.79 C ATOM 0 H MET A 83 7.740 -2.650 -5.811 1.00 0.13 H new ATOM 0 HA MET A 83 9.170 -1.471 -3.644 1.00 0.15 H new ATOM 0 HB2 MET A 83 11.162 -2.138 -5.042 1.00 0.20 H new ATOM 0 HB3 MET A 83 10.043 -3.441 -4.692 1.00 0.20 H new ATOM 0 HG2 MET A 83 9.052 -3.176 -6.965 1.00 0.49 H new ATOM 0 HG3 MET A 83 10.216 -1.912 -7.311 1.00 0.49 H new ATOM 0 HE1 MET A 83 11.516 -4.947 -9.468 1.00 1.79 H new ATOM 0 HE2 MET A 83 9.822 -4.530 -9.115 1.00 1.79 H new ATOM 0 HE3 MET A 83 10.996 -3.245 -9.487 1.00 1.79 H new ATOM 1305 N GLN A 84 9.056 0.877 -4.432 1.00 0.14 N ATOM 1306 CA GLN A 84 9.358 2.310 -4.514 1.00 0.15 C ATOM 1307 C GLN A 84 8.957 2.751 -3.139 1.00 0.16 C ATOM 1308 O GLN A 84 8.519 1.881 -2.396 1.00 0.16 O ATOM 1309 CB GLN A 84 8.548 3.094 -5.580 1.00 0.16 C ATOM 1310 CG GLN A 84 8.562 2.520 -6.993 1.00 0.61 C ATOM 1311 CD GLN A 84 9.925 2.580 -7.655 1.00 1.08 C ATOM 1312 OE1 GLN A 84 10.734 3.452 -7.357 1.00 1.79 O ATOM 1313 NE2 GLN A 84 10.180 1.662 -8.573 1.00 1.61 N ATOM 0 H GLN A 84 8.450 0.668 -3.639 1.00 0.14 H new ATOM 0 HA GLN A 84 10.391 2.494 -4.811 1.00 0.15 H new ATOM 0 HB2 GLN A 84 7.512 3.156 -5.246 1.00 0.16 H new ATOM 0 HB3 GLN A 84 8.932 4.113 -5.621 1.00 0.16 H new ATOM 0 HG2 GLN A 84 8.228 1.483 -6.959 1.00 0.61 H new ATOM 0 HG3 GLN A 84 7.845 3.066 -7.606 1.00 0.61 H new ATOM 0 HE21 GLN A 84 9.481 0.953 -8.793 1.00 1.61 H new ATOM 0 HE22 GLN A 84 11.076 1.664 -9.061 1.00 1.61 H new ATOM 1322 N ASN A 85 9.106 4.000 -2.714 1.00 0.17 N ATOM 1323 CA ASN A 85 8.485 4.319 -1.432 1.00 0.17 C ATOM 1324 C ASN A 85 7.007 4.002 -1.550 1.00 0.16 C ATOM 1325 O ASN A 85 6.259 4.744 -2.160 1.00 0.18 O ATOM 1326 CB ASN A 85 8.647 5.800 -1.044 1.00 0.19 C ATOM 1327 CG ASN A 85 8.224 6.745 -2.151 1.00 0.28 C ATOM 1328 OD1 ASN A 85 8.395 6.454 -3.335 1.00 1.22 O ATOM 1329 ND2 ASN A 85 7.660 7.880 -1.784 1.00 0.99 N ATOM 0 H ASN A 85 9.606 4.752 -3.188 1.00 0.17 H new ATOM 0 HA ASN A 85 8.974 3.730 -0.656 1.00 0.17 H new ATOM 0 HB2 ASN A 85 8.055 6.004 -0.152 1.00 0.19 H new ATOM 0 HB3 ASN A 85 9.689 5.992 -0.786 1.00 0.19 H new ATOM 0 HD21 ASN A 85 7.351 8.548 -2.490 1.00 0.99 H new ATOM 0 HD22 ASN A 85 7.533 8.090 -0.794 1.00 0.99 H new ATOM 1336 N GLY A 86 6.620 2.900 -0.924 1.00 0.15 N ATOM 1337 CA GLY A 86 5.245 2.436 -0.846 1.00 0.14 C ATOM 1338 C GLY A 86 4.501 2.252 -2.164 1.00 0.12 C ATOM 1339 O GLY A 86 3.573 1.457 -2.222 1.00 0.13 O ATOM 0 H GLY A 86 7.276 2.286 -0.442 1.00 0.15 H new ATOM 0 HA2 GLY A 86 5.239 1.483 -0.317 1.00 0.14 H new ATOM 0 HA3 GLY A 86 4.683 3.143 -0.236 1.00 0.14 H new ATOM 1343 N CYS A 87 4.929 2.959 -3.198 1.00 0.11 N ATOM 1344 CA CYS A 87 4.216 3.103 -4.459 1.00 0.12 C ATOM 1345 C CYS A 87 2.810 3.675 -4.245 1.00 0.12 C ATOM 1346 O CYS A 87 2.636 4.642 -3.494 1.00 0.17 O ATOM 1347 CB CYS A 87 4.204 1.811 -5.272 1.00 0.23 C ATOM 1348 SG CYS A 87 3.115 0.494 -4.684 1.00 0.94 S ATOM 0 H CYS A 87 5.814 3.467 -3.182 1.00 0.11 H new ATOM 0 HA CYS A 87 4.767 3.828 -5.058 1.00 0.12 H new ATOM 0 HB2 CYS A 87 3.921 2.055 -6.296 1.00 0.23 H new ATOM 0 HB3 CYS A 87 5.221 1.421 -5.307 1.00 0.23 H new ATOM 0 HG CYS A 87 3.115 0.479 -3.384 1.00 0.94 H new ATOM 1354 N ARG A 88 1.813 3.112 -4.909 1.00 0.12 N ATOM 1355 CA ARG A 88 0.461 3.636 -4.824 1.00 0.13 C ATOM 1356 C ARG A 88 -0.522 2.499 -4.557 1.00 0.12 C ATOM 1357 O ARG A 88 -0.294 1.377 -5.001 1.00 0.15 O ATOM 1358 CB ARG A 88 0.061 4.359 -6.120 1.00 0.19 C ATOM 1359 CG ARG A 88 1.127 5.275 -6.711 1.00 0.82 C ATOM 1360 CD ARG A 88 2.080 4.516 -7.631 1.00 0.41 C ATOM 1361 NE ARG A 88 1.398 3.944 -8.794 1.00 0.90 N ATOM 1362 CZ ARG A 88 1.990 3.728 -9.969 1.00 1.29 C ATOM 1363 NH1 ARG A 88 3.237 4.138 -10.170 1.00 1.26 N ATOM 1364 NH2 ARG A 88 1.326 3.132 -10.954 1.00 2.07 N ATOM 0 H ARG A 88 1.915 2.295 -5.511 1.00 0.12 H new ATOM 0 HA ARG A 88 0.431 4.353 -4.004 1.00 0.13 H new ATOM 0 HB2 ARG A 88 -0.206 3.611 -6.866 1.00 0.19 H new ATOM 0 HB3 ARG A 88 -0.835 4.949 -5.926 1.00 0.19 H new ATOM 0 HG2 ARG A 88 0.647 6.079 -7.269 1.00 0.82 H new ATOM 0 HG3 ARG A 88 1.694 5.741 -5.905 1.00 0.82 H new ATOM 0 HD2 ARG A 88 2.867 5.190 -7.970 1.00 0.41 H new ATOM 0 HD3 ARG A 88 2.564 3.718 -7.069 1.00 0.41 H new ATOM 0 HE ARG A 88 0.413 3.697 -8.700 1.00 0.90 H new ATOM 0 HH11 ARG A 88 3.742 4.618 -9.425 1.00 1.26 H new ATOM 0 HH12 ARG A 88 3.690 3.973 -11.069 1.00 1.26 H new ATOM 0 HH21 ARG A 88 0.360 2.838 -10.813 1.00 2.07 H new ATOM 0 HH22 ARG A 88 1.783 2.969 -11.851 1.00 2.07 H new ATOM 1378 N VAL A 89 -1.579 2.793 -3.797 1.00 0.11 N ATOM 1379 CA VAL A 89 -2.699 1.873 -3.574 1.00 0.11 C ATOM 1380 C VAL A 89 -3.972 2.659 -3.310 1.00 0.11 C ATOM 1381 O VAL A 89 -4.105 3.324 -2.285 1.00 0.12 O ATOM 1382 CB VAL A 89 -2.465 0.913 -2.387 1.00 0.13 C ATOM 1383 CG1 VAL A 89 -1.488 -0.190 -2.746 1.00 0.20 C ATOM 1384 CG2 VAL A 89 -1.982 1.680 -1.172 1.00 0.18 C ATOM 0 H VAL A 89 -1.684 3.685 -3.314 1.00 0.11 H new ATOM 0 HA VAL A 89 -2.788 1.273 -4.480 1.00 0.11 H new ATOM 0 HB VAL A 89 -3.419 0.443 -2.148 1.00 0.13 H new ATOM 0 HG11 VAL A 89 -1.348 -0.846 -1.887 1.00 0.20 H new ATOM 0 HG12 VAL A 89 -1.882 -0.767 -3.583 1.00 0.20 H new ATOM 0 HG13 VAL A 89 -0.531 0.249 -3.027 1.00 0.20 H new ATOM 0 HG21 VAL A 89 -1.822 0.988 -0.345 1.00 0.18 H new ATOM 0 HG22 VAL A 89 -1.045 2.185 -1.409 1.00 0.18 H new ATOM 0 HG23 VAL A 89 -2.731 2.419 -0.887 1.00 0.18 H new ATOM 1394 N MET A 90 -4.911 2.620 -4.229 1.00 0.11 N ATOM 1395 CA MET A 90 -6.152 3.332 -3.991 1.00 0.12 C ATOM 1396 C MET A 90 -7.357 2.435 -4.043 1.00 0.12 C ATOM 1397 O MET A 90 -7.532 1.639 -4.958 1.00 0.13 O ATOM 1398 CB MET A 90 -6.304 4.555 -4.873 1.00 0.16 C ATOM 1399 CG MET A 90 -7.623 4.636 -5.636 1.00 0.68 C ATOM 1400 SD MET A 90 -7.884 6.234 -6.433 1.00 1.30 S ATOM 1401 CE MET A 90 -6.487 6.301 -7.552 1.00 1.92 C ATOM 0 H MET A 90 -4.848 2.123 -5.118 1.00 0.11 H new ATOM 0 HA MET A 90 -6.091 3.700 -2.967 1.00 0.12 H new ATOM 0 HB2 MET A 90 -6.204 5.446 -4.254 1.00 0.16 H new ATOM 0 HB3 MET A 90 -5.484 4.572 -5.591 1.00 0.16 H new ATOM 0 HG2 MET A 90 -7.647 3.851 -6.392 1.00 0.68 H new ATOM 0 HG3 MET A 90 -8.446 4.441 -4.948 1.00 0.68 H new ATOM 0 HE1 MET A 90 -6.776 6.823 -8.464 1.00 1.92 H new ATOM 0 HE2 MET A 90 -5.664 6.833 -7.075 1.00 1.92 H new ATOM 0 HE3 MET A 90 -6.169 5.288 -7.799 1.00 1.92 H new ATOM 1411 N LEU A 91 -8.178 2.570 -3.036 1.00 0.12 N ATOM 1412 CA LEU A 91 -9.351 1.752 -2.906 1.00 0.12 C ATOM 1413 C LEU A 91 -10.582 2.565 -3.206 1.00 0.14 C ATOM 1414 O LEU A 91 -10.763 3.668 -2.684 1.00 0.15 O ATOM 1415 CB LEU A 91 -9.433 1.078 -1.519 1.00 0.11 C ATOM 1416 CG LEU A 91 -9.619 1.956 -0.252 1.00 0.12 C ATOM 1417 CD1 LEU A 91 -8.727 3.186 -0.243 1.00 0.15 C ATOM 1418 CD2 LEU A 91 -11.078 2.343 -0.042 1.00 0.14 C ATOM 0 H LEU A 91 -8.052 3.249 -2.285 1.00 0.12 H new ATOM 0 HA LEU A 91 -9.286 0.945 -3.635 1.00 0.12 H new ATOM 0 HB2 LEU A 91 -10.260 0.369 -1.549 1.00 0.11 H new ATOM 0 HB3 LEU A 91 -8.520 0.498 -1.383 1.00 0.11 H new ATOM 0 HG LEU A 91 -9.306 1.334 0.587 1.00 0.12 H new ATOM 0 HD11 LEU A 91 -8.904 3.757 0.668 1.00 0.15 H new ATOM 0 HD12 LEU A 91 -7.682 2.878 -0.280 1.00 0.15 H new ATOM 0 HD13 LEU A 91 -8.954 3.806 -1.110 1.00 0.15 H new ATOM 0 HD21 LEU A 91 -11.166 2.957 0.854 1.00 0.14 H new ATOM 0 HD22 LEU A 91 -11.433 2.907 -0.905 1.00 0.14 H new ATOM 0 HD23 LEU A 91 -11.680 1.442 0.075 1.00 0.14 H new ATOM 1430 N ILE A 92 -11.414 2.050 -4.076 1.00 0.18 N ATOM 1431 CA ILE A 92 -12.654 2.710 -4.350 1.00 0.23 C ATOM 1432 C ILE A 92 -13.797 1.897 -3.803 1.00 0.23 C ATOM 1433 O ILE A 92 -14.089 0.793 -4.262 1.00 0.26 O ATOM 1434 CB ILE A 92 -12.852 2.992 -5.857 1.00 0.31 C ATOM 1435 CG1 ILE A 92 -11.691 3.839 -6.394 1.00 0.42 C ATOM 1436 CG2 ILE A 92 -14.183 3.692 -6.102 1.00 0.37 C ATOM 1437 CD1 ILE A 92 -11.770 4.108 -7.882 1.00 0.51 C ATOM 0 H ILE A 92 -11.254 1.188 -4.597 1.00 0.18 H new ATOM 0 HA ILE A 92 -12.629 3.680 -3.853 1.00 0.23 H new ATOM 0 HB ILE A 92 -12.865 2.041 -6.389 1.00 0.31 H new ATOM 0 HG12 ILE A 92 -11.671 4.790 -5.862 1.00 0.42 H new ATOM 0 HG13 ILE A 92 -10.751 3.332 -6.175 1.00 0.42 H new ATOM 0 HG21 ILE A 92 -14.303 3.882 -7.169 1.00 0.37 H new ATOM 0 HG22 ILE A 92 -14.997 3.058 -5.752 1.00 0.37 H new ATOM 0 HG23 ILE A 92 -14.202 4.638 -5.561 1.00 0.37 H new ATOM 0 HD11 ILE A 92 -10.916 4.712 -8.188 1.00 0.51 H new ATOM 0 HD12 ILE A 92 -11.759 3.162 -8.424 1.00 0.51 H new ATOM 0 HD13 ILE A 92 -12.692 4.644 -8.106 1.00 0.51 H new ATOM 1449 N GLY A 93 -14.414 2.465 -2.799 1.00 0.24 N ATOM 1450 CA GLY A 93 -15.510 1.827 -2.124 1.00 0.28 C ATOM 1451 C GLY A 93 -15.788 2.518 -0.819 1.00 0.30 C ATOM 1452 O GLY A 93 -16.298 3.635 -0.806 1.00 0.45 O ATOM 0 H GLY A 93 -14.169 3.383 -2.428 1.00 0.24 H new ATOM 0 HA2 GLY A 93 -16.399 1.852 -2.754 1.00 0.28 H new ATOM 0 HA3 GLY A 93 -15.276 0.778 -1.946 1.00 0.28 H new ATOM 1456 N GLU A 94 -15.406 1.889 0.279 1.00 0.25 N ATOM 1457 CA GLU A 94 -15.643 2.458 1.590 1.00 0.26 C ATOM 1458 C GLU A 94 -14.372 2.482 2.433 1.00 0.24 C ATOM 1459 O GLU A 94 -13.790 1.442 2.724 1.00 0.35 O ATOM 1460 CB GLU A 94 -16.707 1.650 2.329 1.00 0.32 C ATOM 1461 CG GLU A 94 -18.061 1.605 1.639 1.00 0.98 C ATOM 1462 CD GLU A 94 -18.650 2.980 1.402 1.00 1.53 C ATOM 1463 OE1 GLU A 94 -18.808 3.733 2.383 1.00 2.17 O ATOM 1464 OE2 GLU A 94 -18.925 3.324 0.237 1.00 2.02 O ATOM 0 H GLU A 94 -14.932 0.986 0.287 1.00 0.25 H new ATOM 0 HA GLU A 94 -15.982 3.483 1.441 1.00 0.26 H new ATOM 0 HB2 GLU A 94 -16.345 0.630 2.457 1.00 0.32 H new ATOM 0 HB3 GLU A 94 -16.836 2.070 3.326 1.00 0.32 H new ATOM 0 HG2 GLU A 94 -17.959 1.090 0.684 1.00 0.98 H new ATOM 0 HG3 GLU A 94 -18.752 1.019 2.245 1.00 0.98 H new ATOM 1471 N LYS A 95 -13.945 3.674 2.813 1.00 0.25 N ATOM 1472 CA LYS A 95 -12.982 3.816 3.890 1.00 0.26 C ATOM 1473 C LYS A 95 -13.781 4.045 5.167 1.00 0.39 C ATOM 1474 O LYS A 95 -13.697 5.107 5.783 1.00 0.48 O ATOM 1475 CB LYS A 95 -12.006 4.986 3.655 1.00 0.28 C ATOM 1476 CG LYS A 95 -10.726 4.625 2.898 1.00 0.27 C ATOM 1477 CD LYS A 95 -9.570 5.525 3.320 1.00 0.55 C ATOM 1478 CE LYS A 95 -8.308 5.260 2.504 1.00 0.35 C ATOM 1479 NZ LYS A 95 -7.148 6.039 3.006 1.00 1.19 N ATOM 0 H LYS A 95 -14.248 4.553 2.394 1.00 0.25 H new ATOM 0 HA LYS A 95 -12.368 2.918 3.952 1.00 0.26 H new ATOM 0 HB2 LYS A 95 -12.527 5.768 3.103 1.00 0.28 H new ATOM 0 HB3 LYS A 95 -11.731 5.408 4.621 1.00 0.28 H new ATOM 0 HG2 LYS A 95 -10.468 3.583 3.088 1.00 0.27 H new ATOM 0 HG3 LYS A 95 -10.894 4.721 1.825 1.00 0.27 H new ATOM 0 HD2 LYS A 95 -9.863 6.569 3.205 1.00 0.55 H new ATOM 0 HD3 LYS A 95 -9.357 5.369 4.377 1.00 0.55 H new ATOM 0 HE2 LYS A 95 -8.072 4.196 2.536 1.00 0.35 H new ATOM 0 HE3 LYS A 95 -8.491 5.514 1.460 1.00 0.35 H new ATOM 0 HZ1 LYS A 95 -6.265 5.601 2.672 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -7.206 7.015 2.652 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -7.159 6.047 4.046 1.00 1.19 H new