USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 597 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 23 GLN : amide:sc= 0.822 K(o=-1.6,f=-3.4) USER MOD Set 1.2: A 51 MET CE :methyl -174:sc= 0 (180deg=-0.0625) USER MOD Set 1.3: A 53 SER OG : rot 180:sc= -1.8! USER MOD Set 1.4: A 55 GLN : amide:sc= -0.663 K(o=-1.6,f=-2.6) USER MOD Set 2.1: A 34 SER OG : rot -76:sc= 0.788 USER MOD Set 2.2: A 37 GLN : amide:sc= 1.42 K(o=2.2,f=-8.9!) USER MOD Set 3.1: A 3 MET CE :methyl -114:sc= -0.116 (180deg=-0.0289) USER MOD Set 3.2: A 5 HIS : no HE2:sc= -0.954 K(o=-1.1,f=-1.7) USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.0272 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0723 X(o=-0.072,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.49! C(o=-1.5!,f=-5.1!) USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-2.6!,f=0) USER MOD Single : A 13 SER OG : rot -174:sc= -0.684 USER MOD Single : A 14 HIS :FLIP no HD1:sc= -1.34 F(o=-2.2!,f=-1.3) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 66:sc= 0.697 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0336 USER MOD Single : A 29 SER OG : rot 81:sc= 0.161 USER MOD Single : A 31 GLN : amide:sc= -0.212 K(o=-0.21,f=-2.2!) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 40 GLN : amide:sc= -2.2 X(o=-2.2,f=-1.7!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0471) USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= -0.0739 (180deg=-0.424) USER MOD Single : A 52 THR OG1 : rot 2:sc= 0.802 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -132:sc= -3.52 (180deg=-8.54!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -163:sc= -0.112 (180deg=-0.547) USER MOD Single : A 70 SER OG : rot -172:sc= 0.749 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.788 -5.037 1.322 1.00 0.00 N ATOM 2 CA GLY A 1 16.548 -3.765 0.650 1.00 0.00 C ATOM 3 C GLY A 1 15.418 -3.019 1.308 1.00 0.00 C ATOM 4 O GLY A 1 14.453 -3.633 1.743 1.00 0.00 O ATOM 0 H1 GLY A 1 17.659 -4.973 1.886 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.986 -5.256 1.947 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.890 -5.791 0.613 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.453 -3.159 0.675 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.311 -3.942 -0.399 1.00 0.00 H new ATOM 10 N HIS A 2 15.514 -1.705 1.387 1.00 0.00 N ATOM 11 CA HIS A 2 14.452 -0.931 2.016 1.00 0.00 C ATOM 12 C HIS A 2 13.514 -0.359 0.965 1.00 0.00 C ATOM 13 O HIS A 2 12.496 0.239 1.289 1.00 0.00 O ATOM 14 CB HIS A 2 14.987 0.196 2.950 1.00 0.00 C ATOM 15 CG HIS A 2 15.634 1.384 2.268 1.00 0.00 C ATOM 16 ND1 HIS A 2 14.982 2.586 2.035 1.00 0.00 N ATOM 17 CD2 HIS A 2 16.895 1.554 1.812 1.00 0.00 C ATOM 18 CE1 HIS A 2 15.845 3.420 1.466 1.00 0.00 C ATOM 19 NE2 HIS A 2 17.027 2.846 1.306 1.00 0.00 N ATOM 0 H HIS A 2 16.298 -1.157 1.033 1.00 0.00 H new ATOM 0 HA HIS A 2 13.899 -1.621 2.652 1.00 0.00 H new ATOM 0 HB2 HIS A 2 14.158 0.560 3.556 1.00 0.00 H new ATOM 0 HB3 HIS A 2 15.713 -0.243 3.634 1.00 0.00 H new ATOM 0 HD2 HIS A 2 17.676 0.808 1.836 1.00 0.00 H new ATOM 0 HE1 HIS A 2 15.613 4.433 1.173 1.00 0.00 H new ATOM 0 HE2 HIS A 2 17.863 3.263 0.897 1.00 0.00 H new ATOM 27 N MET A 3 13.867 -0.533 -0.293 1.00 0.00 N ATOM 28 CA MET A 3 13.035 -0.051 -1.361 1.00 0.00 C ATOM 29 C MET A 3 11.883 -1.005 -1.613 1.00 0.00 C ATOM 30 O MET A 3 11.997 -2.195 -1.381 1.00 0.00 O ATOM 31 CB MET A 3 13.828 0.264 -2.624 1.00 0.00 C ATOM 32 CG MET A 3 14.806 1.429 -2.450 1.00 0.00 C ATOM 33 SD MET A 3 15.638 1.934 -3.977 1.00 0.00 S ATOM 34 CE MET A 3 16.684 0.518 -4.324 1.00 0.00 C ATOM 0 H MET A 3 14.721 -1.003 -0.593 1.00 0.00 H new ATOM 0 HA MET A 3 12.608 0.901 -1.045 1.00 0.00 H new ATOM 0 HB2 MET A 3 14.382 -0.624 -2.928 1.00 0.00 H new ATOM 0 HB3 MET A 3 13.134 0.499 -3.431 1.00 0.00 H new ATOM 0 HG2 MET A 3 14.266 2.284 -2.044 1.00 0.00 H new ATOM 0 HG3 MET A 3 15.560 1.149 -1.714 1.00 0.00 H new ATOM 0 HE1 MET A 3 17.731 0.808 -4.233 1.00 0.00 H new ATOM 0 HE2 MET A 3 16.465 -0.279 -3.613 1.00 0.00 H new ATOM 0 HE3 MET A 3 16.492 0.164 -5.337 1.00 0.00 H new ATOM 44 N VAL A 4 10.814 -0.485 -2.151 1.00 0.00 N ATOM 45 CA VAL A 4 9.528 -1.193 -2.202 1.00 0.00 C ATOM 46 C VAL A 4 9.526 -2.410 -3.099 1.00 0.00 C ATOM 47 O VAL A 4 8.845 -3.391 -2.829 1.00 0.00 O ATOM 48 CB VAL A 4 8.384 -0.235 -2.559 1.00 0.00 C ATOM 49 CG1 VAL A 4 8.446 0.924 -1.648 1.00 0.00 C ATOM 50 CG2 VAL A 4 8.443 0.232 -3.995 1.00 0.00 C ATOM 0 H VAL A 4 10.792 0.444 -2.572 1.00 0.00 H new ATOM 0 HA VAL A 4 9.364 -1.577 -1.195 1.00 0.00 H new ATOM 0 HB VAL A 4 7.442 -0.771 -2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.640 1.618 -1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.339 0.583 -0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.405 1.428 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.610 0.907 -4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.383 0.755 -4.169 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.378 -0.629 -4.661 1.00 0.00 H new ATOM 60 N HIS A 5 10.316 -2.374 -4.127 1.00 0.00 N ATOM 61 CA HIS A 5 10.425 -3.486 -5.043 1.00 0.00 C ATOM 62 C HIS A 5 11.164 -4.674 -4.370 1.00 0.00 C ATOM 63 O HIS A 5 11.142 -5.799 -4.858 1.00 0.00 O ATOM 64 CB HIS A 5 11.115 -3.040 -6.345 1.00 0.00 C ATOM 65 CG HIS A 5 12.368 -2.253 -6.138 1.00 0.00 C ATOM 66 ND1 HIS A 5 12.394 -0.885 -6.122 1.00 0.00 N ATOM 67 CD2 HIS A 5 13.627 -2.654 -5.892 1.00 0.00 C ATOM 68 CE1 HIS A 5 13.625 -0.497 -5.864 1.00 0.00 C ATOM 69 NE2 HIS A 5 14.428 -1.535 -5.716 1.00 0.00 N ATOM 0 H HIS A 5 10.907 -1.577 -4.362 1.00 0.00 H new ATOM 0 HA HIS A 5 9.425 -3.833 -5.304 1.00 0.00 H new ATOM 0 HB2 HIS A 5 11.349 -3.923 -6.940 1.00 0.00 H new ATOM 0 HB3 HIS A 5 10.415 -2.440 -6.926 1.00 0.00 H new ATOM 0 HD1 HIS A 5 11.596 -0.271 -6.283 1.00 0.00 H new ATOM 0 HD2 HIS A 5 13.961 -3.680 -5.840 1.00 0.00 H new ATOM 0 HE1 HIS A 5 13.937 0.534 -5.784 1.00 0.00 H new ATOM 77 N GLU A 6 11.787 -4.387 -3.227 1.00 0.00 N ATOM 78 CA GLU A 6 12.510 -5.367 -2.427 1.00 0.00 C ATOM 79 C GLU A 6 11.610 -5.912 -1.327 1.00 0.00 C ATOM 80 O GLU A 6 12.015 -6.768 -0.532 1.00 0.00 O ATOM 81 CB GLU A 6 13.728 -4.716 -1.781 1.00 0.00 C ATOM 82 CG GLU A 6 14.755 -4.208 -2.761 1.00 0.00 C ATOM 83 CD GLU A 6 15.363 -5.322 -3.554 1.00 0.00 C ATOM 84 OE1 GLU A 6 15.807 -6.313 -2.958 1.00 0.00 O ATOM 85 OE2 GLU A 6 15.405 -5.243 -4.783 1.00 0.00 O ATOM 0 H GLU A 6 11.802 -3.449 -2.827 1.00 0.00 H new ATOM 0 HA GLU A 6 12.826 -6.179 -3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.394 -3.885 -1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.203 -5.439 -1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.289 -3.492 -3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.539 -3.675 -2.223 1.00 0.00 H new ATOM 92 N TRP A 7 10.403 -5.398 -1.257 1.00 0.00 N ATOM 93 CA TRP A 7 9.466 -5.853 -0.273 1.00 0.00 C ATOM 94 C TRP A 7 8.769 -7.070 -0.797 1.00 0.00 C ATOM 95 O TRP A 7 8.296 -7.078 -1.928 1.00 0.00 O ATOM 96 CB TRP A 7 8.459 -4.764 0.116 1.00 0.00 C ATOM 97 CG TRP A 7 9.082 -3.536 0.713 1.00 0.00 C ATOM 98 CD1 TRP A 7 10.366 -3.386 1.164 1.00 0.00 C ATOM 99 CD2 TRP A 7 8.437 -2.292 0.943 1.00 0.00 C ATOM 100 NE1 TRP A 7 10.555 -2.114 1.615 1.00 0.00 N ATOM 101 CE2 TRP A 7 9.389 -1.425 1.500 1.00 0.00 C ATOM 102 CE3 TRP A 7 7.148 -1.822 0.720 1.00 0.00 C ATOM 103 CZ2 TRP A 7 9.096 -0.116 1.835 1.00 0.00 C ATOM 104 CZ3 TRP A 7 6.854 -0.523 1.053 1.00 0.00 C ATOM 105 CH2 TRP A 7 7.826 0.320 1.607 1.00 0.00 C ATOM 0 H TRP A 7 10.053 -4.664 -1.873 1.00 0.00 H new ATOM 0 HA TRP A 7 10.011 -6.103 0.638 1.00 0.00 H new ATOM 0 HB2 TRP A 7 7.892 -4.476 -0.769 1.00 0.00 H new ATOM 0 HB3 TRP A 7 7.748 -5.180 0.829 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.118 -4.161 1.163 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.431 -1.739 1.980 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.393 -2.466 0.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.845 0.535 2.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.856 -0.145 0.885 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.563 1.337 1.859 1.00 0.00 H new ATOM 116 N SER A 8 8.719 -8.084 0.008 1.00 0.00 N ATOM 117 CA SER A 8 8.168 -9.337 -0.398 1.00 0.00 C ATOM 118 C SER A 8 6.668 -9.345 -0.149 1.00 0.00 C ATOM 119 O SER A 8 5.872 -9.218 -1.066 1.00 0.00 O ATOM 120 CB SER A 8 8.851 -10.441 0.399 1.00 0.00 C ATOM 121 OG SER A 8 10.248 -10.218 0.451 1.00 0.00 O ATOM 0 H SER A 8 9.061 -8.066 0.969 1.00 0.00 H new ATOM 0 HA SER A 8 8.335 -9.499 -1.463 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.444 -10.475 1.409 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.647 -11.409 -0.059 1.00 0.00 H new ATOM 0 HG SER A 8 10.674 -10.933 0.967 1.00 0.00 H new ATOM 127 N VAL A 9 6.305 -9.439 1.108 1.00 0.00 N ATOM 128 CA VAL A 9 4.917 -9.469 1.526 1.00 0.00 C ATOM 129 C VAL A 9 4.798 -8.710 2.828 1.00 0.00 C ATOM 130 O VAL A 9 4.221 -7.659 2.883 1.00 0.00 O ATOM 131 CB VAL A 9 4.402 -10.943 1.726 1.00 0.00 C ATOM 132 CG1 VAL A 9 3.028 -10.960 2.357 1.00 0.00 C ATOM 133 CG2 VAL A 9 4.356 -11.698 0.407 1.00 0.00 C ATOM 0 H VAL A 9 6.969 -9.498 1.880 1.00 0.00 H new ATOM 0 HA VAL A 9 4.305 -9.010 0.749 1.00 0.00 H new ATOM 0 HB VAL A 9 5.108 -11.438 2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.698 -11.991 2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.068 -10.471 3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.326 -10.430 1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.996 -12.712 0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.683 -11.187 -0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.356 -11.737 -0.025 1.00 0.00 H new ATOM 143 N GLN A 10 5.447 -9.218 3.847 1.00 0.00 N ATOM 144 CA GLN A 10 5.391 -8.641 5.185 1.00 0.00 C ATOM 145 C GLN A 10 6.003 -7.235 5.232 1.00 0.00 C ATOM 146 O GLN A 10 5.628 -6.415 6.054 1.00 0.00 O ATOM 147 CB GLN A 10 6.062 -9.580 6.223 1.00 0.00 C ATOM 148 CG GLN A 10 7.597 -9.756 6.117 1.00 0.00 C ATOM 149 CD GLN A 10 8.101 -10.305 4.783 1.00 0.00 C ATOM 150 OE1 GLN A 10 7.415 -11.049 4.088 1.00 0.00 O ATOM 151 NE2 GLN A 10 9.290 -9.934 4.418 1.00 0.00 N ATOM 0 H GLN A 10 6.035 -10.049 3.780 1.00 0.00 H new ATOM 0 HA GLN A 10 4.338 -8.539 5.449 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.831 -9.204 7.220 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.601 -10.564 6.139 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.070 -8.790 6.296 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.925 -10.424 6.913 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.837 -9.315 5.016 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.677 -10.261 3.533 1.00 0.00 H new ATOM 160 N GLN A 11 6.900 -6.953 4.299 1.00 0.00 N ATOM 161 CA GLN A 11 7.562 -5.669 4.269 1.00 0.00 C ATOM 162 C GLN A 11 6.682 -4.567 3.656 1.00 0.00 C ATOM 163 O GLN A 11 6.949 -3.391 3.833 1.00 0.00 O ATOM 164 CB GLN A 11 8.943 -5.757 3.596 1.00 0.00 C ATOM 165 CG GLN A 11 9.922 -6.645 4.354 1.00 0.00 C ATOM 166 CD GLN A 11 11.375 -6.548 3.895 1.00 0.00 C ATOM 167 OE1 GLN A 11 11.602 -6.256 2.654 1.00 0.00 O flip ATOM 168 NE2 GLN A 11 12.286 -6.742 4.679 1.00 0.00 N flip ATOM 0 H GLN A 11 7.181 -7.596 3.559 1.00 0.00 H new ATOM 0 HA GLN A 11 7.731 -5.378 5.306 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.823 -6.141 2.583 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.363 -4.755 3.509 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.874 -6.390 5.413 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.596 -7.681 4.260 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.082 -6.971 5.652 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.254 -6.676 4.363 1.00 0.00 H new ATOM 177 N VAL A 12 5.605 -4.961 2.983 1.00 0.00 N ATOM 178 CA VAL A 12 4.684 -3.990 2.364 1.00 0.00 C ATOM 179 C VAL A 12 3.850 -3.290 3.462 1.00 0.00 C ATOM 180 O VAL A 12 3.427 -2.131 3.320 1.00 0.00 O ATOM 181 CB VAL A 12 3.719 -4.695 1.338 1.00 0.00 C ATOM 182 CG1 VAL A 12 2.495 -5.330 1.999 1.00 0.00 C ATOM 183 CG2 VAL A 12 3.312 -3.757 0.231 1.00 0.00 C ATOM 0 H VAL A 12 5.342 -5.937 2.848 1.00 0.00 H new ATOM 0 HA VAL A 12 5.279 -3.253 1.824 1.00 0.00 H new ATOM 0 HB VAL A 12 4.291 -5.514 0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.872 -5.798 1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.819 -6.084 2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.920 -4.561 2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.646 -4.276 -0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.796 -2.896 0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.199 -3.420 -0.305 1.00 0.00 H new ATOM 193 N SER A 13 3.682 -3.989 4.575 1.00 0.00 N ATOM 194 CA SER A 13 2.847 -3.550 5.654 1.00 0.00 C ATOM 195 C SER A 13 3.469 -2.377 6.401 1.00 0.00 C ATOM 196 O SER A 13 2.749 -1.535 6.940 1.00 0.00 O ATOM 197 CB SER A 13 2.597 -4.730 6.576 1.00 0.00 C ATOM 198 OG SER A 13 2.438 -5.913 5.784 1.00 0.00 O ATOM 0 H SER A 13 4.133 -4.888 4.744 1.00 0.00 H new ATOM 0 HA SER A 13 1.898 -3.190 5.258 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.430 -4.850 7.269 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.704 -4.556 7.177 1.00 0.00 H new ATOM 0 HG SER A 13 2.183 -6.662 6.362 1.00 0.00 H new ATOM 204 N HIS A 14 4.806 -2.286 6.360 1.00 0.00 N ATOM 205 CA HIS A 14 5.543 -1.222 7.056 1.00 0.00 C ATOM 206 C HIS A 14 5.146 0.136 6.513 1.00 0.00 C ATOM 207 O HIS A 14 5.078 1.126 7.251 1.00 0.00 O ATOM 208 CB HIS A 14 7.065 -1.412 6.946 1.00 0.00 C ATOM 209 CG HIS A 14 7.567 -2.719 7.487 1.00 0.00 C ATOM 210 ND1 HIS A 14 8.276 -3.684 6.875 1.00 0.00 N flip ATOM 211 CD2 HIS A 14 7.327 -3.180 8.764 1.00 0.00 C flip ATOM 212 CE1 HIS A 14 8.473 -4.741 7.753 1.00 0.00 C flip ATOM 213 NE2 HIS A 14 7.879 -4.386 8.879 1.00 0.00 N flip ATOM 0 H HIS A 14 5.401 -2.939 5.850 1.00 0.00 H new ATOM 0 HA HIS A 14 5.279 -1.279 8.112 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.354 -1.331 5.898 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.560 -0.599 7.477 1.00 0.00 H new ATOM 0 HD2 HIS A 14 6.785 -2.654 9.537 1.00 0.00 H new ATOM 0 HE1 HIS A 14 9.002 -5.662 7.557 1.00 0.00 H new ATOM 0 HE2 HIS A 14 7.848 -4.959 9.722 1.00 0.00 H new ATOM 221 N TRP A 15 4.868 0.174 5.222 1.00 0.00 N ATOM 222 CA TRP A 15 4.373 1.364 4.595 1.00 0.00 C ATOM 223 C TRP A 15 2.976 1.645 5.107 1.00 0.00 C ATOM 224 O TRP A 15 2.776 2.629 5.786 1.00 0.00 O ATOM 225 CB TRP A 15 4.412 1.238 3.057 1.00 0.00 C ATOM 226 CG TRP A 15 3.616 2.286 2.319 1.00 0.00 C ATOM 227 CD1 TRP A 15 3.914 3.606 2.163 1.00 0.00 C ATOM 228 CD2 TRP A 15 2.383 2.072 1.633 1.00 0.00 C ATOM 229 NE1 TRP A 15 2.922 4.228 1.436 1.00 0.00 N ATOM 230 CE2 TRP A 15 1.973 3.301 1.097 1.00 0.00 C ATOM 231 CE3 TRP A 15 1.586 0.954 1.428 1.00 0.00 C ATOM 232 CZ2 TRP A 15 0.795 3.434 0.371 1.00 0.00 C ATOM 233 CZ3 TRP A 15 0.426 1.095 0.705 1.00 0.00 C ATOM 234 CH2 TRP A 15 0.045 2.316 0.194 1.00 0.00 C ATOM 0 H TRP A 15 4.982 -0.619 4.591 1.00 0.00 H new ATOM 0 HA TRP A 15 5.014 2.207 4.851 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.450 1.291 2.728 1.00 0.00 H new ATOM 0 HB3 TRP A 15 4.038 0.253 2.777 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.796 4.093 2.551 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.899 5.218 1.190 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.872 -0.007 1.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.489 4.387 -0.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.199 0.231 0.534 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.877 2.386 -0.364 1.00 0.00 H new ATOM 245 N LEU A 16 2.054 0.708 4.857 1.00 0.00 N ATOM 246 CA LEU A 16 0.623 0.818 5.217 1.00 0.00 C ATOM 247 C LEU A 16 0.413 1.326 6.631 1.00 0.00 C ATOM 248 O LEU A 16 -0.309 2.298 6.849 1.00 0.00 O ATOM 249 CB LEU A 16 -0.030 -0.539 5.096 1.00 0.00 C ATOM 250 CG LEU A 16 -0.227 -1.083 3.681 1.00 0.00 C ATOM 251 CD1 LEU A 16 -0.472 -2.561 3.713 1.00 0.00 C ATOM 252 CD2 LEU A 16 -1.412 -0.412 3.023 1.00 0.00 C ATOM 0 H LEU A 16 2.280 -0.170 4.389 1.00 0.00 H new ATOM 0 HA LEU A 16 0.176 1.537 4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.570 -1.256 5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.005 -0.492 5.581 1.00 0.00 H new ATOM 0 HG LEU A 16 0.680 -0.876 3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.610 -2.929 2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.383 -3.062 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.368 -2.769 4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.541 -0.808 2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.311 -0.606 3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.239 0.663 2.970 1.00 0.00 H new ATOM 264 N VAL A 17 1.069 0.691 7.577 1.00 0.00 N ATOM 265 CA VAL A 17 0.938 1.026 8.987 1.00 0.00 C ATOM 266 C VAL A 17 1.345 2.487 9.254 1.00 0.00 C ATOM 267 O VAL A 17 0.727 3.177 10.083 1.00 0.00 O ATOM 268 CB VAL A 17 1.785 0.064 9.853 1.00 0.00 C ATOM 269 CG1 VAL A 17 1.761 0.443 11.316 1.00 0.00 C ATOM 270 CG2 VAL A 17 1.325 -1.372 9.685 1.00 0.00 C ATOM 0 H VAL A 17 1.714 -0.078 7.394 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.111 0.914 9.261 1.00 0.00 H new ATOM 0 HB VAL A 17 2.813 0.152 9.500 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.369 -0.261 11.884 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.161 1.449 11.438 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.735 0.414 11.683 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.938 -2.025 10.305 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.282 -1.458 9.989 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.424 -1.666 8.640 1.00 0.00 H new ATOM 280 N GLY A 18 2.287 2.967 8.460 1.00 0.00 N ATOM 281 CA GLY A 18 2.828 4.289 8.622 1.00 0.00 C ATOM 282 C GLY A 18 1.819 5.363 8.309 1.00 0.00 C ATOM 283 O GLY A 18 1.771 6.394 8.978 1.00 0.00 O ATOM 0 H GLY A 18 2.694 2.443 7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.180 4.412 9.646 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.694 4.407 7.971 1.00 0.00 H new ATOM 287 N LEU A 19 0.980 5.105 7.328 1.00 0.00 N ATOM 288 CA LEU A 19 -0.034 6.077 6.920 1.00 0.00 C ATOM 289 C LEU A 19 -1.396 5.735 7.501 1.00 0.00 C ATOM 290 O LEU A 19 -2.408 6.192 6.996 1.00 0.00 O ATOM 291 CB LEU A 19 -0.141 6.212 5.380 1.00 0.00 C ATOM 292 CG LEU A 19 -0.272 4.921 4.588 1.00 0.00 C ATOM 293 CD1 LEU A 19 -1.032 5.139 3.311 1.00 0.00 C ATOM 294 CD2 LEU A 19 1.077 4.425 4.231 1.00 0.00 C ATOM 0 H LEU A 19 0.973 4.236 6.795 1.00 0.00 H new ATOM 0 HA LEU A 19 0.292 7.038 7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.003 6.839 5.153 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.742 6.742 5.023 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.807 4.203 5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.108 4.197 2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.032 5.507 3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.508 5.871 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.986 3.499 3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.591 5.172 3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.648 4.238 5.140 1.00 0.00 H new ATOM 306 N SER A 20 -1.403 4.931 8.576 1.00 0.00 N ATOM 307 CA SER A 20 -2.643 4.517 9.280 1.00 0.00 C ATOM 308 C SER A 20 -3.492 3.587 8.424 1.00 0.00 C ATOM 309 O SER A 20 -4.648 3.355 8.694 1.00 0.00 O ATOM 310 CB SER A 20 -3.447 5.748 9.737 1.00 0.00 C ATOM 311 OG SER A 20 -2.610 6.658 10.449 1.00 0.00 O ATOM 0 H SER A 20 -0.553 4.546 8.987 1.00 0.00 H new ATOM 0 HA SER A 20 -2.349 3.956 10.167 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.882 6.247 8.871 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.275 5.433 10.373 1.00 0.00 H new ATOM 0 HG SER A 20 -3.137 7.435 10.730 1.00 0.00 H new ATOM 317 N LEU A 21 -2.869 2.988 7.461 1.00 0.00 N ATOM 318 CA LEU A 21 -3.508 2.083 6.519 1.00 0.00 C ATOM 319 C LEU A 21 -3.198 0.648 6.883 1.00 0.00 C ATOM 320 O LEU A 21 -3.324 -0.248 6.054 1.00 0.00 O ATOM 321 CB LEU A 21 -3.030 2.388 5.101 1.00 0.00 C ATOM 322 CG LEU A 21 -3.824 3.407 4.243 1.00 0.00 C ATOM 323 CD1 LEU A 21 -4.957 2.728 3.536 1.00 0.00 C ATOM 324 CD2 LEU A 21 -4.369 4.564 5.065 1.00 0.00 C ATOM 0 H LEU A 21 -1.871 3.109 7.290 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.588 2.226 6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.003 2.746 5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.004 1.446 4.553 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.121 3.815 3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.503 3.458 2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.564 1.948 2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.630 2.284 4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.916 5.247 4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.039 4.180 5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.543 5.096 5.537 1.00 0.00 H new ATOM 336 N ASP A 22 -2.815 0.429 8.152 1.00 0.00 N ATOM 337 CA ASP A 22 -2.594 -0.927 8.721 1.00 0.00 C ATOM 338 C ASP A 22 -3.811 -1.820 8.493 1.00 0.00 C ATOM 339 O ASP A 22 -3.709 -3.037 8.438 1.00 0.00 O ATOM 340 CB ASP A 22 -2.287 -0.854 10.228 1.00 0.00 C ATOM 341 CG ASP A 22 -3.385 -0.188 11.034 1.00 0.00 C ATOM 342 OD1 ASP A 22 -3.400 1.060 11.093 1.00 0.00 O ATOM 343 OD2 ASP A 22 -4.251 -0.892 11.604 1.00 0.00 O ATOM 0 H ASP A 22 -2.648 1.182 8.819 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.735 -1.358 8.207 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.128 -1.863 10.608 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.356 -0.308 10.376 1.00 0.00 H new ATOM 348 N GLN A 23 -4.934 -1.182 8.333 1.00 0.00 N ATOM 349 CA GLN A 23 -6.215 -1.798 8.033 1.00 0.00 C ATOM 350 C GLN A 23 -6.179 -2.570 6.688 1.00 0.00 C ATOM 351 O GLN A 23 -6.939 -3.509 6.474 1.00 0.00 O ATOM 352 CB GLN A 23 -7.259 -0.677 7.984 1.00 0.00 C ATOM 353 CG GLN A 23 -6.986 0.344 6.867 1.00 0.00 C ATOM 354 CD GLN A 23 -7.689 1.660 7.059 1.00 0.00 C ATOM 355 OE1 GLN A 23 -8.815 1.839 6.628 1.00 0.00 O ATOM 356 NE2 GLN A 23 -6.999 2.615 7.641 1.00 0.00 N ATOM 0 H GLN A 23 -4.995 -0.167 8.410 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.464 -2.529 8.802 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.247 -1.113 7.837 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.277 -0.162 8.944 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.912 0.522 6.806 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.293 -0.085 5.913 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.059 2.426 7.989 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.403 3.546 7.745 1.00 0.00 H new ATOM 365 N TYR A 24 -5.289 -2.176 5.805 1.00 0.00 N ATOM 366 CA TYR A 24 -5.172 -2.815 4.518 1.00 0.00 C ATOM 367 C TYR A 24 -4.209 -3.986 4.551 1.00 0.00 C ATOM 368 O TYR A 24 -4.291 -4.879 3.708 1.00 0.00 O ATOM 369 CB TYR A 24 -4.792 -1.804 3.430 1.00 0.00 C ATOM 370 CG TYR A 24 -5.976 -1.285 2.631 1.00 0.00 C ATOM 371 CD1 TYR A 24 -6.746 -0.220 3.070 1.00 0.00 C ATOM 372 CD2 TYR A 24 -6.317 -1.879 1.426 1.00 0.00 C ATOM 373 CE1 TYR A 24 -7.826 0.230 2.324 1.00 0.00 C ATOM 374 CE2 TYR A 24 -7.383 -1.433 0.678 1.00 0.00 C ATOM 375 CZ TYR A 24 -8.132 -0.387 1.121 1.00 0.00 C ATOM 376 OH TYR A 24 -9.218 0.028 0.377 1.00 0.00 O ATOM 0 H TYR A 24 -4.632 -1.411 5.958 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.153 -3.219 4.267 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.282 -0.960 3.894 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.082 -2.270 2.747 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.503 0.265 4.004 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.732 -2.712 1.065 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.425 1.056 2.679 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.624 -1.913 -0.259 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.061 0.938 0.049 1.00 0.00 H new ATOM 386 N VAL A 25 -3.336 -4.000 5.554 1.00 0.00 N ATOM 387 CA VAL A 25 -2.315 -5.066 5.716 1.00 0.00 C ATOM 388 C VAL A 25 -2.943 -6.464 5.726 1.00 0.00 C ATOM 389 O VAL A 25 -2.409 -7.392 5.106 1.00 0.00 O ATOM 390 CB VAL A 25 -1.420 -4.881 6.996 1.00 0.00 C ATOM 391 CG1 VAL A 25 -0.441 -6.011 7.143 1.00 0.00 C ATOM 392 CG2 VAL A 25 -0.705 -3.554 6.969 1.00 0.00 C ATOM 0 H VAL A 25 -3.304 -3.284 6.280 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.668 -4.972 4.844 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.079 -4.893 7.864 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.163 -5.855 8.037 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.983 -6.953 7.231 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.208 -6.046 6.268 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.093 -3.452 7.865 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.067 -3.502 6.087 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.437 -2.747 6.935 1.00 0.00 H new ATOM 402 N SER A 26 -4.102 -6.581 6.360 1.00 0.00 N ATOM 403 CA SER A 26 -4.817 -7.844 6.504 1.00 0.00 C ATOM 404 C SER A 26 -5.018 -8.564 5.148 1.00 0.00 C ATOM 405 O SER A 26 -4.906 -9.797 5.053 1.00 0.00 O ATOM 406 CB SER A 26 -6.158 -7.541 7.137 1.00 0.00 C ATOM 407 OG SER A 26 -5.972 -6.702 8.268 1.00 0.00 O ATOM 0 H SER A 26 -4.579 -5.791 6.795 1.00 0.00 H new ATOM 0 HA SER A 26 -4.228 -8.517 7.127 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.811 -7.053 6.413 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.648 -8.468 7.436 1.00 0.00 H new ATOM 0 HG SER A 26 -6.841 -6.505 8.676 1.00 0.00 H new ATOM 413 N GLU A 27 -5.267 -7.795 4.109 1.00 0.00 N ATOM 414 CA GLU A 27 -5.498 -8.350 2.798 1.00 0.00 C ATOM 415 C GLU A 27 -4.265 -8.134 1.897 1.00 0.00 C ATOM 416 O GLU A 27 -3.977 -8.956 1.037 1.00 0.00 O ATOM 417 CB GLU A 27 -6.765 -7.738 2.197 1.00 0.00 C ATOM 418 CG GLU A 27 -7.170 -8.268 0.825 1.00 0.00 C ATOM 419 CD GLU A 27 -7.553 -9.722 0.788 1.00 0.00 C ATOM 420 OE1 GLU A 27 -8.622 -10.081 1.295 1.00 0.00 O ATOM 421 OE2 GLU A 27 -6.837 -10.517 0.173 1.00 0.00 O ATOM 0 H GLU A 27 -5.314 -6.777 4.151 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.651 -9.426 2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.590 -7.905 2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.625 -6.660 2.123 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.010 -7.678 0.459 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.343 -8.109 0.133 1.00 0.00 H new ATOM 428 N PHE A 28 -3.510 -7.044 2.130 1.00 0.00 N ATOM 429 CA PHE A 28 -2.278 -6.759 1.361 1.00 0.00 C ATOM 430 C PHE A 28 -1.320 -7.934 1.419 1.00 0.00 C ATOM 431 O PHE A 28 -0.778 -8.367 0.399 1.00 0.00 O ATOM 432 CB PHE A 28 -1.576 -5.501 1.882 1.00 0.00 C ATOM 433 CG PHE A 28 -1.753 -4.266 1.028 1.00 0.00 C ATOM 434 CD1 PHE A 28 -2.980 -3.646 0.906 1.00 0.00 C ATOM 435 CD2 PHE A 28 -0.671 -3.722 0.354 1.00 0.00 C ATOM 436 CE1 PHE A 28 -3.128 -2.508 0.129 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.814 -2.585 -0.419 1.00 0.00 C ATOM 438 CZ PHE A 28 -2.045 -1.981 -0.531 1.00 0.00 C ATOM 0 H PHE A 28 -3.728 -6.347 2.842 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.575 -6.591 0.326 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.946 -5.286 2.885 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.510 -5.710 1.974 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.836 -4.053 1.423 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.298 -4.193 0.434 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.095 -2.035 0.042 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.040 -2.171 -0.935 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.159 -1.094 -1.137 1.00 0.00 H new ATOM 448 N SER A 29 -1.183 -8.499 2.600 1.00 0.00 N ATOM 449 CA SER A 29 -0.299 -9.611 2.800 1.00 0.00 C ATOM 450 C SER A 29 -0.893 -10.891 2.183 1.00 0.00 C ATOM 451 O SER A 29 -0.168 -11.781 1.745 1.00 0.00 O ATOM 452 CB SER A 29 -0.037 -9.796 4.299 1.00 0.00 C ATOM 453 OG SER A 29 0.446 -8.586 4.878 1.00 0.00 O ATOM 0 H SER A 29 -1.680 -8.198 3.438 1.00 0.00 H new ATOM 0 HA SER A 29 0.649 -9.410 2.301 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.956 -10.103 4.799 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.690 -10.594 4.451 1.00 0.00 H new ATOM 0 HG SER A 29 -0.308 -7.987 5.060 1.00 0.00 H new ATOM 459 N ALA A 30 -2.206 -10.931 2.063 1.00 0.00 N ATOM 460 CA ALA A 30 -2.887 -12.111 1.592 1.00 0.00 C ATOM 461 C ALA A 30 -2.751 -12.268 0.097 1.00 0.00 C ATOM 462 O ALA A 30 -2.645 -13.384 -0.406 1.00 0.00 O ATOM 463 CB ALA A 30 -4.342 -12.098 2.011 1.00 0.00 C ATOM 0 H ALA A 30 -2.823 -10.150 2.289 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.411 -12.975 2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.834 -12.998 1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.407 -12.067 3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.833 -11.220 1.593 1.00 0.00 H new ATOM 469 N GLN A 31 -2.704 -11.159 -0.620 1.00 0.00 N ATOM 470 CA GLN A 31 -2.592 -11.239 -2.087 1.00 0.00 C ATOM 471 C GLN A 31 -1.147 -11.111 -2.504 1.00 0.00 C ATOM 472 O GLN A 31 -0.843 -11.022 -3.706 1.00 0.00 O ATOM 473 CB GLN A 31 -3.412 -10.161 -2.809 1.00 0.00 C ATOM 474 CG GLN A 31 -4.510 -9.555 -1.985 1.00 0.00 C ATOM 475 CD GLN A 31 -5.505 -8.749 -2.800 1.00 0.00 C ATOM 476 OE1 GLN A 31 -5.169 -8.145 -3.823 1.00 0.00 O ATOM 477 NE2 GLN A 31 -6.738 -8.756 -2.374 1.00 0.00 N ATOM 0 H GLN A 31 -2.739 -10.214 -0.237 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.993 -12.211 -2.375 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.739 -9.367 -3.133 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.848 -10.596 -3.708 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.041 -10.350 -1.461 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.069 -8.911 -1.224 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.981 -9.266 -1.525 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.459 -8.252 -2.890 1.00 0.00 H new ATOM 486 N ASN A 32 -0.251 -11.107 -1.503 1.00 0.00 N ATOM 487 CA ASN A 32 1.188 -10.986 -1.711 1.00 0.00 C ATOM 488 C ASN A 32 1.490 -9.682 -2.400 1.00 0.00 C ATOM 489 O ASN A 32 2.392 -9.602 -3.243 1.00 0.00 O ATOM 490 CB ASN A 32 1.749 -12.171 -2.524 1.00 0.00 C ATOM 491 CG ASN A 32 1.508 -13.514 -1.865 1.00 0.00 C ATOM 492 OD1 ASN A 32 2.321 -13.986 -1.065 1.00 0.00 O ATOM 493 ND2 ASN A 32 0.434 -14.161 -2.234 1.00 0.00 N ATOM 0 H ASN A 32 -0.515 -11.189 -0.521 1.00 0.00 H new ATOM 0 HA ASN A 32 1.676 -11.003 -0.737 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.293 -12.172 -3.514 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.820 -12.031 -2.667 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.244 -15.090 -1.858 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.214 -13.737 -2.898 1.00 0.00 H new ATOM 500 N ILE A 33 0.739 -8.648 -2.032 1.00 0.00 N ATOM 501 CA ILE A 33 0.936 -7.352 -2.602 1.00 0.00 C ATOM 502 C ILE A 33 2.267 -6.837 -2.113 1.00 0.00 C ATOM 503 O ILE A 33 2.458 -6.659 -0.927 1.00 0.00 O ATOM 504 CB ILE A 33 -0.182 -6.333 -2.204 1.00 0.00 C ATOM 505 CG1 ILE A 33 -1.570 -6.835 -2.634 1.00 0.00 C ATOM 506 CG2 ILE A 33 0.090 -4.960 -2.836 1.00 0.00 C ATOM 507 CD1 ILE A 33 -1.727 -7.020 -4.133 1.00 0.00 C ATOM 0 H ILE A 33 -0.008 -8.699 -1.340 1.00 0.00 H new ATOM 0 HA ILE A 33 0.903 -7.448 -3.687 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.169 -6.237 -1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.770 -7.785 -2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.324 -6.129 -2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.698 -4.264 -2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.052 -4.583 -2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.110 -5.057 -3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.734 -7.376 -4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.561 -6.068 -4.636 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.999 -7.750 -4.488 1.00 0.00 H new ATOM 519 N SER A 34 3.190 -6.690 -3.000 1.00 0.00 N ATOM 520 CA SER A 34 4.470 -6.190 -2.638 1.00 0.00 C ATOM 521 C SER A 34 4.567 -4.753 -3.107 1.00 0.00 C ATOM 522 O SER A 34 3.573 -4.192 -3.596 1.00 0.00 O ATOM 523 CB SER A 34 5.565 -7.048 -3.272 1.00 0.00 C ATOM 524 OG SER A 34 5.545 -6.968 -4.685 1.00 0.00 O ATOM 0 H SER A 34 3.080 -6.911 -3.990 1.00 0.00 H new ATOM 0 HA SER A 34 4.603 -6.229 -1.557 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.539 -6.725 -2.904 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.437 -8.086 -2.965 1.00 0.00 H new ATOM 0 HG SER A 34 4.808 -7.512 -5.033 1.00 0.00 H new ATOM 530 N GLY A 35 5.757 -4.177 -3.027 1.00 0.00 N ATOM 531 CA GLY A 35 5.968 -2.811 -3.462 1.00 0.00 C ATOM 532 C GLY A 35 5.693 -2.668 -4.937 1.00 0.00 C ATOM 533 O GLY A 35 5.250 -1.626 -5.401 1.00 0.00 O ATOM 0 H GLY A 35 6.591 -4.638 -2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.317 -2.141 -2.900 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.994 -2.511 -3.249 1.00 0.00 H new ATOM 537 N GLU A 36 5.898 -3.761 -5.638 1.00 0.00 N ATOM 538 CA GLU A 36 5.657 -3.894 -7.059 1.00 0.00 C ATOM 539 C GLU A 36 4.204 -3.495 -7.395 1.00 0.00 C ATOM 540 O GLU A 36 3.951 -2.720 -8.325 1.00 0.00 O ATOM 541 CB GLU A 36 5.912 -5.350 -7.411 1.00 0.00 C ATOM 542 CG GLU A 36 5.705 -5.736 -8.844 1.00 0.00 C ATOM 543 CD GLU A 36 5.953 -7.200 -9.030 1.00 0.00 C ATOM 544 OE1 GLU A 36 5.066 -8.013 -8.700 1.00 0.00 O ATOM 545 OE2 GLU A 36 7.060 -7.571 -9.463 1.00 0.00 O ATOM 0 H GLU A 36 6.253 -4.619 -5.215 1.00 0.00 H new ATOM 0 HA GLU A 36 6.312 -3.238 -7.633 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.939 -5.593 -7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.262 -5.970 -6.793 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.688 -5.491 -9.150 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.377 -5.163 -9.483 1.00 0.00 H new ATOM 552 N GLN A 37 3.260 -3.975 -6.592 1.00 0.00 N ATOM 553 CA GLN A 37 1.863 -3.658 -6.814 1.00 0.00 C ATOM 554 C GLN A 37 1.398 -2.485 -5.970 1.00 0.00 C ATOM 555 O GLN A 37 0.264 -2.046 -6.080 1.00 0.00 O ATOM 556 CB GLN A 37 0.914 -4.881 -6.680 1.00 0.00 C ATOM 557 CG GLN A 37 1.402 -6.072 -5.884 1.00 0.00 C ATOM 558 CD GLN A 37 2.512 -6.884 -6.523 1.00 0.00 C ATOM 559 OE1 GLN A 37 3.288 -7.483 -5.819 1.00 0.00 O ATOM 560 NE2 GLN A 37 2.612 -6.891 -7.826 1.00 0.00 N ATOM 0 H GLN A 37 3.439 -4.579 -5.790 1.00 0.00 H new ATOM 0 HA GLN A 37 1.802 -3.352 -7.858 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.016 -4.535 -6.228 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.671 -5.227 -7.685 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.749 -5.718 -4.913 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.555 -6.733 -5.698 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.939 -6.374 -8.392 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.363 -7.414 -8.277 1.00 0.00 H new ATOM 569 N LEU A 38 2.305 -1.969 -5.175 1.00 0.00 N ATOM 570 CA LEU A 38 2.063 -0.835 -4.296 1.00 0.00 C ATOM 571 C LEU A 38 2.252 0.450 -5.115 1.00 0.00 C ATOM 572 O LEU A 38 1.459 1.380 -5.041 1.00 0.00 O ATOM 573 CB LEU A 38 3.091 -0.914 -3.150 1.00 0.00 C ATOM 574 CG LEU A 38 2.787 -0.211 -1.826 1.00 0.00 C ATOM 575 CD1 LEU A 38 3.916 -0.453 -0.857 1.00 0.00 C ATOM 576 CD2 LEU A 38 2.614 1.259 -1.998 1.00 0.00 C ATOM 0 H LEU A 38 3.257 -2.330 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 38 1.055 -0.842 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.258 -1.969 -2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.033 -0.514 -3.526 1.00 0.00 H new ATOM 0 HG LEU A 38 1.852 -0.623 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.699 0.048 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.023 -1.524 -0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.843 -0.058 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.400 1.716 -1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.529 1.688 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.787 1.451 -2.681 1.00 0.00 H new ATOM 588 N LEU A 39 3.297 0.460 -5.921 1.00 0.00 N ATOM 589 CA LEU A 39 3.644 1.600 -6.780 1.00 0.00 C ATOM 590 C LEU A 39 2.509 1.941 -7.746 1.00 0.00 C ATOM 591 O LEU A 39 2.198 3.104 -7.973 1.00 0.00 O ATOM 592 CB LEU A 39 4.909 1.257 -7.584 1.00 0.00 C ATOM 593 CG LEU A 39 6.199 1.029 -6.786 1.00 0.00 C ATOM 594 CD1 LEU A 39 7.103 0.032 -7.520 1.00 0.00 C ATOM 595 CD2 LEU A 39 6.936 2.360 -6.600 1.00 0.00 C ATOM 0 H LEU A 39 3.942 -0.326 -6.006 1.00 0.00 H new ATOM 0 HA LEU A 39 3.818 2.467 -6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.707 0.358 -8.166 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.088 2.064 -8.295 1.00 0.00 H new ATOM 0 HG LEU A 39 5.943 0.621 -5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.016 -0.123 -6.945 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.580 -0.918 -7.634 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.356 0.427 -8.504 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.852 2.193 -6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.185 2.778 -7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.296 3.058 -6.059 1.00 0.00 H new ATOM 607 N GLN A 40 1.889 0.929 -8.284 1.00 0.00 N ATOM 608 CA GLN A 40 0.858 1.132 -9.294 1.00 0.00 C ATOM 609 C GLN A 40 -0.577 1.011 -8.733 1.00 0.00 C ATOM 610 O GLN A 40 -1.530 0.873 -9.494 1.00 0.00 O ATOM 611 CB GLN A 40 1.130 0.209 -10.508 1.00 0.00 C ATOM 612 CG GLN A 40 1.126 -1.295 -10.216 1.00 0.00 C ATOM 613 CD GLN A 40 -0.257 -1.898 -10.254 1.00 0.00 C ATOM 614 OE1 GLN A 40 -1.110 -1.465 -11.002 1.00 0.00 O ATOM 615 NE2 GLN A 40 -0.500 -2.867 -9.440 1.00 0.00 N ATOM 0 H GLN A 40 2.070 -0.047 -8.049 1.00 0.00 H new ATOM 0 HA GLN A 40 0.916 2.164 -9.640 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.379 0.414 -11.271 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.098 0.475 -10.933 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.758 -1.803 -10.944 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.566 -1.470 -9.234 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.235 -3.211 -8.823 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.428 -3.290 -9.413 1.00 0.00 H new ATOM 624 N LEU A 41 -0.720 1.120 -7.405 1.00 0.00 N ATOM 625 CA LEU A 41 -2.030 1.052 -6.745 1.00 0.00 C ATOM 626 C LEU A 41 -3.041 2.040 -7.316 1.00 0.00 C ATOM 627 O LEU A 41 -2.694 3.142 -7.746 1.00 0.00 O ATOM 628 CB LEU A 41 -1.912 1.291 -5.254 1.00 0.00 C ATOM 629 CG LEU A 41 -1.411 0.136 -4.423 1.00 0.00 C ATOM 630 CD1 LEU A 41 -1.116 0.635 -3.055 1.00 0.00 C ATOM 631 CD2 LEU A 41 -2.459 -0.962 -4.336 1.00 0.00 C ATOM 0 H LEU A 41 0.061 1.256 -6.764 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.394 0.042 -6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.245 2.139 -5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.892 1.582 -4.877 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.516 -0.277 -4.888 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.752 -0.187 -2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.355 1.414 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.024 1.045 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.075 -1.784 -3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.364 -0.565 -3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.690 -1.325 -5.338 1.00 0.00 H new ATOM 643 N ASP A 42 -4.272 1.630 -7.312 1.00 0.00 N ATOM 644 CA ASP A 42 -5.391 2.419 -7.782 1.00 0.00 C ATOM 645 C ASP A 42 -6.607 1.932 -7.032 1.00 0.00 C ATOM 646 O ASP A 42 -6.504 0.929 -6.306 1.00 0.00 O ATOM 647 CB ASP A 42 -5.586 2.252 -9.318 1.00 0.00 C ATOM 648 CG ASP A 42 -6.801 2.996 -9.860 1.00 0.00 C ATOM 649 OD1 ASP A 42 -6.897 4.222 -9.670 1.00 0.00 O ATOM 650 OD2 ASP A 42 -7.729 2.351 -10.403 1.00 0.00 O ATOM 0 H ASP A 42 -4.544 0.708 -6.972 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.219 3.480 -7.603 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.693 2.609 -9.831 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.685 1.192 -9.551 1.00 0.00 H new ATOM 655 N GLY A 43 -7.737 2.612 -7.179 1.00 0.00 N ATOM 656 CA GLY A 43 -8.965 2.204 -6.549 1.00 0.00 C ATOM 657 C GLY A 43 -9.343 0.829 -6.948 1.00 0.00 C ATOM 658 O GLY A 43 -9.922 0.120 -6.162 1.00 0.00 O ATOM 0 H GLY A 43 -7.818 3.460 -7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.854 2.253 -5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.763 2.896 -6.820 1.00 0.00 H new ATOM 662 N ASN A 44 -8.975 0.449 -8.169 1.00 0.00 N ATOM 663 CA ASN A 44 -9.242 -0.884 -8.696 1.00 0.00 C ATOM 664 C ASN A 44 -8.714 -1.910 -7.733 1.00 0.00 C ATOM 665 O ASN A 44 -9.408 -2.861 -7.360 1.00 0.00 O ATOM 666 CB ASN A 44 -8.519 -1.087 -10.016 1.00 0.00 C ATOM 667 CG ASN A 44 -9.177 -2.153 -10.853 1.00 0.00 C ATOM 668 OD1 ASN A 44 -10.077 -1.856 -11.639 1.00 0.00 O ATOM 669 ND2 ASN A 44 -8.751 -3.378 -10.713 1.00 0.00 N ATOM 0 H ASN A 44 -8.482 1.059 -8.821 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.318 -0.988 -8.838 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.502 -0.148 -10.570 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.482 -1.363 -9.824 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.166 -4.128 -11.265 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.003 -3.585 -10.051 1.00 0.00 H new ATOM 676 N LYS A 45 -7.485 -1.683 -7.307 1.00 0.00 N ATOM 677 CA LYS A 45 -6.832 -2.554 -6.393 1.00 0.00 C ATOM 678 C LYS A 45 -7.425 -2.404 -5.005 1.00 0.00 C ATOM 679 O LYS A 45 -7.712 -3.373 -4.384 1.00 0.00 O ATOM 680 CB LYS A 45 -5.327 -2.307 -6.371 1.00 0.00 C ATOM 681 CG LYS A 45 -4.718 -2.175 -7.756 1.00 0.00 C ATOM 682 CD LYS A 45 -3.232 -2.536 -7.776 1.00 0.00 C ATOM 683 CE LYS A 45 -2.958 -3.990 -7.371 1.00 0.00 C ATOM 684 NZ LYS A 45 -3.618 -4.965 -8.261 1.00 0.00 N ATOM 0 H LYS A 45 -6.924 -0.882 -7.596 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.992 -3.579 -6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.124 -1.398 -5.804 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.839 -3.127 -5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.256 -2.822 -8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.845 -1.152 -8.110 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.836 -2.364 -8.777 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.694 -1.870 -7.101 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.883 -4.168 -7.378 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.300 -4.148 -6.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.318 -5.927 -8.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.650 -4.885 -8.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.351 -4.771 -9.247 1.00 0.00 H new ATOM 698 N LEU A 46 -7.661 -1.171 -4.563 1.00 0.00 N ATOM 699 CA LEU A 46 -8.249 -0.901 -3.226 1.00 0.00 C ATOM 700 C LEU A 46 -9.583 -1.638 -3.058 1.00 0.00 C ATOM 701 O LEU A 46 -9.907 -2.184 -1.989 1.00 0.00 O ATOM 702 CB LEU A 46 -8.426 0.609 -3.043 1.00 0.00 C ATOM 703 CG LEU A 46 -7.114 1.425 -3.119 1.00 0.00 C ATOM 704 CD1 LEU A 46 -7.367 2.916 -3.020 1.00 0.00 C ATOM 705 CD2 LEU A 46 -6.126 0.976 -2.047 1.00 0.00 C ATOM 0 H LEU A 46 -7.458 -0.331 -5.104 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.572 -1.272 -2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.112 0.976 -3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.897 0.792 -2.077 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.674 1.231 -4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.419 3.451 -3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.012 3.231 -3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.853 3.140 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.213 1.566 -2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.569 1.119 -1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.889 -0.078 -2.189 1.00 0.00 H new ATOM 717 N LYS A 47 -10.326 -1.685 -4.136 1.00 0.00 N ATOM 718 CA LYS A 47 -11.567 -2.407 -4.195 1.00 0.00 C ATOM 719 C LYS A 47 -11.324 -3.930 -4.195 1.00 0.00 C ATOM 720 O LYS A 47 -12.041 -4.680 -3.534 1.00 0.00 O ATOM 721 CB LYS A 47 -12.360 -1.976 -5.423 1.00 0.00 C ATOM 722 CG LYS A 47 -12.801 -0.520 -5.392 1.00 0.00 C ATOM 723 CD LYS A 47 -13.054 0.007 -6.797 1.00 0.00 C ATOM 724 CE LYS A 47 -13.692 1.381 -6.780 1.00 0.00 C ATOM 725 NZ LYS A 47 -15.022 1.383 -6.123 1.00 0.00 N ATOM 0 H LYS A 47 -10.080 -1.216 -5.007 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.150 -2.172 -3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.753 -2.143 -6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.241 -2.611 -5.515 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.708 -0.425 -4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.035 0.085 -4.906 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.112 0.051 -7.343 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.701 -0.687 -7.334 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.033 2.077 -6.261 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.795 1.742 -7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.543 2.241 -6.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.558 0.543 -6.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.899 1.367 -5.090 1.00 0.00 H new ATOM 739 N ALA A 48 -10.284 -4.363 -4.897 1.00 0.00 N ATOM 740 CA ALA A 48 -9.921 -5.785 -4.987 1.00 0.00 C ATOM 741 C ALA A 48 -9.251 -6.273 -3.697 1.00 0.00 C ATOM 742 O ALA A 48 -9.083 -7.479 -3.472 1.00 0.00 O ATOM 743 CB ALA A 48 -9.026 -6.035 -6.189 1.00 0.00 C ATOM 0 H ALA A 48 -9.665 -3.745 -5.422 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.840 -6.356 -5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.769 -7.093 -6.237 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.551 -5.747 -7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.115 -5.444 -6.093 1.00 0.00 H new ATOM 749 N LEU A 49 -8.868 -5.328 -2.853 1.00 0.00 N ATOM 750 CA LEU A 49 -8.332 -5.613 -1.544 1.00 0.00 C ATOM 751 C LEU A 49 -9.485 -5.811 -0.575 1.00 0.00 C ATOM 752 O LEU A 49 -9.287 -6.026 0.608 1.00 0.00 O ATOM 753 CB LEU A 49 -7.409 -4.476 -1.048 1.00 0.00 C ATOM 754 CG LEU A 49 -5.874 -4.570 -1.325 1.00 0.00 C ATOM 755 CD1 LEU A 49 -5.266 -5.773 -0.667 1.00 0.00 C ATOM 756 CD2 LEU A 49 -5.540 -4.577 -2.793 1.00 0.00 C ATOM 0 H LEU A 49 -8.924 -4.332 -3.066 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.729 -6.519 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.767 -3.546 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.544 -4.389 0.030 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.445 -3.667 -0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.198 -5.804 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.418 -5.714 0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.740 -6.676 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.459 -4.644 -2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.015 -5.434 -3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.903 -3.658 -3.253 1.00 0.00 H new ATOM 768 N GLY A 50 -10.694 -5.653 -1.088 1.00 0.00 N ATOM 769 CA GLY A 50 -11.894 -5.928 -0.338 1.00 0.00 C ATOM 770 C GLY A 50 -12.181 -4.958 0.783 1.00 0.00 C ATOM 771 O GLY A 50 -13.117 -5.169 1.556 1.00 0.00 O ATOM 0 H GLY A 50 -10.864 -5.329 -2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.741 -5.929 -1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.821 -6.932 0.080 1.00 0.00 H new ATOM 775 N MET A 51 -11.412 -3.898 0.895 1.00 0.00 N ATOM 776 CA MET A 51 -11.674 -2.956 1.970 1.00 0.00 C ATOM 777 C MET A 51 -12.720 -1.998 1.500 1.00 0.00 C ATOM 778 O MET A 51 -13.740 -1.815 2.157 1.00 0.00 O ATOM 779 CB MET A 51 -10.426 -2.241 2.422 1.00 0.00 C ATOM 780 CG MET A 51 -10.585 -1.501 3.741 1.00 0.00 C ATOM 781 SD MET A 51 -10.914 -2.621 5.120 1.00 0.00 S ATOM 782 CE MET A 51 -11.045 -1.457 6.479 1.00 0.00 C ATOM 0 H MET A 51 -10.629 -3.668 0.284 1.00 0.00 H new ATOM 0 HA MET A 51 -12.031 -3.498 2.846 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.618 -2.966 2.518 1.00 0.00 H new ATOM 0 HB3 MET A 51 -10.127 -1.531 1.652 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.679 -0.931 3.947 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.401 -0.783 3.656 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.141 -2.003 7.418 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.151 -0.834 6.512 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.922 -0.826 6.335 1.00 0.00 H new ATOM 792 N THR A 52 -12.475 -1.429 0.317 1.00 0.00 N ATOM 793 CA THR A 52 -13.433 -0.608 -0.439 1.00 0.00 C ATOM 794 C THR A 52 -14.007 0.560 0.377 1.00 0.00 C ATOM 795 O THR A 52 -15.133 1.029 0.105 1.00 0.00 O ATOM 796 CB THR A 52 -14.602 -1.491 -0.967 1.00 0.00 C ATOM 797 OG1 THR A 52 -15.368 -2.073 0.104 1.00 0.00 O ATOM 798 CG2 THR A 52 -14.091 -2.600 -1.834 1.00 0.00 C ATOM 0 H THR A 52 -11.578 -1.528 -0.158 1.00 0.00 H new ATOM 0 HA THR A 52 -12.876 -0.178 -1.271 1.00 0.00 H new ATOM 0 HB THR A 52 -15.245 -0.828 -1.546 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.008 -1.773 0.965 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.929 -3.200 -2.188 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.559 -2.179 -2.687 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.412 -3.229 -1.258 1.00 0.00 H new ATOM 806 N SER A 53 -13.232 1.042 1.316 1.00 0.00 N ATOM 807 CA SER A 53 -13.637 2.077 2.208 1.00 0.00 C ATOM 808 C SER A 53 -13.702 3.463 1.507 1.00 0.00 C ATOM 809 O SER A 53 -13.725 3.555 0.268 1.00 0.00 O ATOM 810 CB SER A 53 -12.677 2.061 3.379 1.00 0.00 C ATOM 811 OG SER A 53 -12.718 0.814 4.060 1.00 0.00 O ATOM 0 H SER A 53 -12.281 0.711 1.478 1.00 0.00 H new ATOM 0 HA SER A 53 -14.653 1.898 2.560 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.664 2.252 3.025 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.930 2.865 4.071 1.00 0.00 H new ATOM 0 HG SER A 53 -12.088 0.830 4.810 1.00 0.00 H new ATOM 817 N SER A 54 -13.794 4.518 2.280 1.00 0.00 N ATOM 818 CA SER A 54 -13.912 5.830 1.715 1.00 0.00 C ATOM 819 C SER A 54 -12.714 6.716 2.112 1.00 0.00 C ATOM 820 O SER A 54 -12.191 7.476 1.289 1.00 0.00 O ATOM 821 CB SER A 54 -15.251 6.451 2.162 1.00 0.00 C ATOM 822 OG SER A 54 -15.521 7.687 1.517 1.00 0.00 O ATOM 0 H SER A 54 -13.789 4.489 3.300 1.00 0.00 H new ATOM 0 HA SER A 54 -13.902 5.758 0.627 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.060 5.751 1.952 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.234 6.604 3.241 1.00 0.00 H new ATOM 0 HG SER A 54 -16.380 8.040 1.832 1.00 0.00 H new ATOM 828 N GLN A 55 -12.254 6.583 3.351 1.00 0.00 N ATOM 829 CA GLN A 55 -11.182 7.439 3.864 1.00 0.00 C ATOM 830 C GLN A 55 -9.847 7.063 3.252 1.00 0.00 C ATOM 831 O GLN A 55 -8.987 7.921 3.005 1.00 0.00 O ATOM 832 CB GLN A 55 -11.134 7.389 5.411 1.00 0.00 C ATOM 833 CG GLN A 55 -10.666 6.066 6.025 1.00 0.00 C ATOM 834 CD GLN A 55 -9.148 5.932 6.116 1.00 0.00 C ATOM 835 OE1 GLN A 55 -8.435 6.911 6.261 1.00 0.00 O ATOM 836 NE2 GLN A 55 -8.653 4.736 6.004 1.00 0.00 N ATOM 0 H GLN A 55 -12.602 5.895 4.019 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.396 8.467 3.573 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.474 8.183 5.760 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.130 7.612 5.793 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.090 5.970 7.024 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.059 5.241 5.431 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.274 3.936 5.884 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.643 4.597 6.036 1.00 0.00 H new ATOM 845 N ASP A 56 -9.697 5.792 2.969 1.00 0.00 N ATOM 846 CA ASP A 56 -8.465 5.255 2.452 1.00 0.00 C ATOM 847 C ASP A 56 -8.297 5.736 1.036 1.00 0.00 C ATOM 848 O ASP A 56 -7.232 6.160 0.651 1.00 0.00 O ATOM 849 CB ASP A 56 -8.485 3.724 2.481 1.00 0.00 C ATOM 850 CG ASP A 56 -9.517 3.175 1.542 1.00 0.00 C ATOM 851 OD1 ASP A 56 -10.692 3.450 1.762 1.00 0.00 O ATOM 852 OD2 ASP A 56 -9.150 2.578 0.531 1.00 0.00 O ATOM 0 H ASP A 56 -10.433 5.097 3.092 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.633 5.592 3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.502 3.340 2.209 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.692 3.380 3.494 1.00 0.00 H new ATOM 857 N ARG A 57 -9.404 5.747 0.310 1.00 0.00 N ATOM 858 CA ARG A 57 -9.491 6.172 -1.075 1.00 0.00 C ATOM 859 C ARG A 57 -9.013 7.614 -1.269 1.00 0.00 C ATOM 860 O ARG A 57 -8.767 8.043 -2.390 1.00 0.00 O ATOM 861 CB ARG A 57 -10.928 5.983 -1.558 1.00 0.00 C ATOM 862 CG ARG A 57 -11.374 4.514 -1.591 1.00 0.00 C ATOM 863 CD ARG A 57 -10.779 3.769 -2.777 1.00 0.00 C ATOM 864 NE ARG A 57 -11.308 4.311 -4.049 1.00 0.00 N ATOM 865 CZ ARG A 57 -10.598 4.897 -5.026 1.00 0.00 C ATOM 866 NH1 ARG A 57 -9.288 5.093 -4.896 1.00 0.00 N ATOM 867 NH2 ARG A 57 -11.218 5.327 -6.112 1.00 0.00 N ATOM 0 H ARG A 57 -10.303 5.447 0.687 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.823 5.555 -1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -11.599 6.544 -0.907 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -11.026 6.407 -2.557 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.074 4.022 -0.666 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.462 4.465 -1.640 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.693 3.857 -2.761 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.014 2.707 -2.702 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.314 4.231 -4.198 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.810 4.797 -4.045 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.762 5.540 -5.647 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.228 5.212 -6.202 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.687 5.774 -6.860 1.00 0.00 H new ATOM 881 N ALA A 58 -8.890 8.342 -0.173 1.00 0.00 N ATOM 882 CA ALA A 58 -8.346 9.672 -0.189 1.00 0.00 C ATOM 883 C ALA A 58 -6.926 9.677 0.399 1.00 0.00 C ATOM 884 O ALA A 58 -6.032 10.366 -0.105 1.00 0.00 O ATOM 885 CB ALA A 58 -9.243 10.616 0.590 1.00 0.00 C ATOM 0 H ALA A 58 -9.168 8.018 0.753 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.294 10.014 -1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.819 11.620 0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.235 10.632 0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.320 10.275 1.623 1.00 0.00 H new ATOM 891 N LEU A 59 -6.715 8.884 1.439 1.00 0.00 N ATOM 892 CA LEU A 59 -5.434 8.853 2.146 1.00 0.00 C ATOM 893 C LEU A 59 -4.368 8.098 1.343 1.00 0.00 C ATOM 894 O LEU A 59 -3.357 8.687 0.923 1.00 0.00 O ATOM 895 CB LEU A 59 -5.599 8.200 3.533 1.00 0.00 C ATOM 896 CG LEU A 59 -4.495 8.488 4.591 1.00 0.00 C ATOM 897 CD1 LEU A 59 -3.138 8.073 4.175 1.00 0.00 C ATOM 898 CD2 LEU A 59 -4.531 9.916 5.090 1.00 0.00 C ATOM 0 H LEU A 59 -7.417 8.248 1.817 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.103 9.884 2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.555 8.522 3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.659 7.121 3.393 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.742 7.847 5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.427 8.308 4.967 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.128 7.000 3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.858 8.605 3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.741 10.064 5.826 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.380 10.598 4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.498 10.116 5.551 1.00 0.00 H new ATOM 910 N VAL A 60 -4.596 6.794 1.111 1.00 0.00 N ATOM 911 CA VAL A 60 -3.596 5.933 0.464 1.00 0.00 C ATOM 912 C VAL A 60 -3.326 6.423 -0.953 1.00 0.00 C ATOM 913 O VAL A 60 -2.239 6.286 -1.490 1.00 0.00 O ATOM 914 CB VAL A 60 -4.018 4.416 0.423 1.00 0.00 C ATOM 915 CG1 VAL A 60 -5.280 4.207 -0.374 1.00 0.00 C ATOM 916 CG2 VAL A 60 -2.925 3.608 -0.192 1.00 0.00 C ATOM 0 H VAL A 60 -5.462 6.316 1.362 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.692 5.998 1.069 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.201 4.099 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.537 3.148 -0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.093 4.776 0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.124 4.546 -1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.219 2.559 -0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.740 3.959 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.016 3.715 0.400 1.00 0.00 H new ATOM 926 N LYS A 61 -4.301 7.101 -1.468 1.00 0.00 N ATOM 927 CA LYS A 61 -4.321 7.587 -2.822 1.00 0.00 C ATOM 928 C LYS A 61 -3.287 8.688 -2.997 1.00 0.00 C ATOM 929 O LYS A 61 -2.713 8.864 -4.065 1.00 0.00 O ATOM 930 CB LYS A 61 -5.726 8.087 -3.113 1.00 0.00 C ATOM 931 CG LYS A 61 -5.985 8.550 -4.523 1.00 0.00 C ATOM 932 CD LYS A 61 -5.686 7.471 -5.544 1.00 0.00 C ATOM 933 CE LYS A 61 -6.204 7.904 -6.878 1.00 0.00 C ATOM 934 NZ LYS A 61 -5.783 7.023 -7.990 1.00 0.00 N ATOM 0 H LYS A 61 -5.140 7.344 -0.942 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.065 6.794 -3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.430 7.288 -2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.944 8.912 -2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.026 8.858 -4.617 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.373 9.427 -4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.612 7.291 -5.598 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.152 6.532 -5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.293 7.936 -6.843 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.862 8.919 -7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.176 7.380 -8.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.745 7.010 -8.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.132 6.058 -7.820 1.00 0.00 H new ATOM 948 N LYS A 62 -3.019 9.371 -1.921 1.00 0.00 N ATOM 949 CA LYS A 62 -2.055 10.438 -1.915 1.00 0.00 C ATOM 950 C LYS A 62 -0.685 9.881 -1.578 1.00 0.00 C ATOM 951 O LYS A 62 0.345 10.340 -2.076 1.00 0.00 O ATOM 952 CB LYS A 62 -2.465 11.512 -0.900 1.00 0.00 C ATOM 953 CG LYS A 62 -1.407 12.581 -0.696 1.00 0.00 C ATOM 954 CD LYS A 62 -1.867 13.734 0.186 1.00 0.00 C ATOM 955 CE LYS A 62 -3.027 14.515 -0.422 1.00 0.00 C ATOM 956 NZ LYS A 62 -3.452 15.623 0.455 1.00 0.00 N ATOM 0 H LYS A 62 -3.464 9.204 -1.018 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.016 10.897 -2.903 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.389 11.984 -1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.679 11.035 0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.523 12.125 -0.251 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.108 12.975 -1.668 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.167 13.344 1.159 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.030 14.410 0.358 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.731 14.911 -1.393 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.868 13.844 -0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.242 16.133 0.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.758 15.242 1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.656 16.276 0.600 1.00 0.00 H new ATOM 970 N LYS A 63 -0.690 8.874 -0.766 1.00 0.00 N ATOM 971 CA LYS A 63 0.520 8.275 -0.302 1.00 0.00 C ATOM 972 C LYS A 63 1.178 7.420 -1.369 1.00 0.00 C ATOM 973 O LYS A 63 2.381 7.442 -1.512 1.00 0.00 O ATOM 974 CB LYS A 63 0.266 7.429 0.919 1.00 0.00 C ATOM 975 CG LYS A 63 1.262 7.694 2.032 1.00 0.00 C ATOM 976 CD LYS A 63 1.088 9.084 2.622 1.00 0.00 C ATOM 977 CE LYS A 63 -0.235 9.231 3.381 1.00 0.00 C ATOM 978 NZ LYS A 63 -0.349 10.559 4.007 1.00 0.00 N ATOM 0 H LYS A 63 -1.539 8.441 -0.403 1.00 0.00 H new ATOM 0 HA LYS A 63 1.195 9.093 -0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.742 7.621 1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.309 6.376 0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.138 6.947 2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.276 7.586 1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.917 9.296 3.297 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.130 9.824 1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.069 9.077 2.696 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.305 8.459 4.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.255 10.628 4.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.434 10.695 4.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.306 11.294 3.272 1.00 0.00 H new ATOM 992 N LEU A 64 0.383 6.683 -2.126 1.00 0.00 N ATOM 993 CA LEU A 64 0.917 5.761 -3.134 1.00 0.00 C ATOM 994 C LEU A 64 1.637 6.527 -4.253 1.00 0.00 C ATOM 995 O LEU A 64 2.589 6.027 -4.860 1.00 0.00 O ATOM 996 CB LEU A 64 -0.204 4.839 -3.691 1.00 0.00 C ATOM 997 CG LEU A 64 -1.168 5.418 -4.749 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.601 5.243 -6.166 1.00 0.00 C ATOM 999 CD2 LEU A 64 -2.548 4.793 -4.633 1.00 0.00 C ATOM 0 H LEU A 64 -0.635 6.700 -2.068 1.00 0.00 H new ATOM 0 HA LEU A 64 1.656 5.120 -2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.273 3.959 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.803 4.496 -2.847 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.269 6.486 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.300 5.659 -6.892 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.354 5.763 -6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.454 4.183 -6.371 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.206 5.220 -5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.473 3.716 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.957 4.994 -3.643 1.00 0.00 H new ATOM 1011 N LYS A 65 1.215 7.750 -4.492 1.00 0.00 N ATOM 1012 CA LYS A 65 1.808 8.542 -5.547 1.00 0.00 C ATOM 1013 C LYS A 65 3.084 9.244 -5.084 1.00 0.00 C ATOM 1014 O LYS A 65 3.841 9.765 -5.901 1.00 0.00 O ATOM 1015 CB LYS A 65 0.805 9.539 -6.144 1.00 0.00 C ATOM 1016 CG LYS A 65 0.241 10.539 -5.154 1.00 0.00 C ATOM 1017 CD LYS A 65 -0.734 11.508 -5.809 1.00 0.00 C ATOM 1018 CE LYS A 65 -0.045 12.381 -6.848 1.00 0.00 C ATOM 1019 NZ LYS A 65 -0.965 13.349 -7.448 1.00 0.00 N ATOM 0 H LYS A 65 0.469 8.215 -3.974 1.00 0.00 H new ATOM 0 HA LYS A 65 2.090 7.850 -6.341 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.292 10.084 -6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.020 8.982 -6.587 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.265 10.006 -4.349 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.058 11.100 -4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.542 10.949 -6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.188 12.140 -5.045 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.786 12.911 -6.383 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.377 11.750 -7.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.456 13.923 -8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.745 12.844 -7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.349 13.969 -6.706 1.00 0.00 H new ATOM 1033 N GLU A 66 3.354 9.230 -3.784 1.00 0.00 N ATOM 1034 CA GLU A 66 4.568 9.881 -3.287 1.00 0.00 C ATOM 1035 C GLU A 66 5.484 8.831 -2.762 1.00 0.00 C ATOM 1036 O GLU A 66 6.642 9.061 -2.507 1.00 0.00 O ATOM 1037 CB GLU A 66 4.268 10.873 -2.178 1.00 0.00 C ATOM 1038 CG GLU A 66 3.676 10.252 -0.931 1.00 0.00 C ATOM 1039 CD GLU A 66 3.567 11.236 0.180 1.00 0.00 C ATOM 1040 OE1 GLU A 66 2.560 11.975 0.253 1.00 0.00 O ATOM 1041 OE2 GLU A 66 4.508 11.318 0.988 1.00 0.00 O ATOM 0 H GLU A 66 2.772 8.791 -3.071 1.00 0.00 H new ATOM 0 HA GLU A 66 5.024 10.430 -4.111 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.189 11.390 -1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.578 11.627 -2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.689 9.851 -1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.296 9.413 -0.614 1.00 0.00 H new ATOM 1048 N MET A 67 4.934 7.660 -2.684 1.00 0.00 N ATOM 1049 CA MET A 67 5.506 6.471 -2.133 1.00 0.00 C ATOM 1050 C MET A 67 6.831 6.202 -2.787 1.00 0.00 C ATOM 1051 O MET A 67 7.785 5.867 -2.146 1.00 0.00 O ATOM 1052 CB MET A 67 4.508 5.398 -2.451 1.00 0.00 C ATOM 1053 CG MET A 67 4.478 4.220 -1.561 1.00 0.00 C ATOM 1054 SD MET A 67 5.834 3.097 -1.789 1.00 0.00 S ATOM 1055 CE MET A 67 5.564 2.672 -3.499 1.00 0.00 C ATOM 0 H MET A 67 3.990 7.498 -3.035 1.00 0.00 H new ATOM 0 HA MET A 67 5.696 6.536 -1.062 1.00 0.00 H new ATOM 0 HB2 MET A 67 3.515 5.848 -2.449 1.00 0.00 H new ATOM 0 HB3 MET A 67 4.698 5.050 -3.466 1.00 0.00 H new ATOM 0 HG2 MET A 67 4.474 4.561 -0.526 1.00 0.00 H new ATOM 0 HG3 MET A 67 3.544 3.681 -1.722 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.612 1.589 -3.617 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.582 3.028 -3.812 1.00 0.00 H new ATOM 0 HE3 MET A 67 6.333 3.138 -4.116 1.00 0.00 H new ATOM 1065 N LYS A 68 6.874 6.484 -4.057 1.00 0.00 N ATOM 1066 CA LYS A 68 8.054 6.329 -4.887 1.00 0.00 C ATOM 1067 C LYS A 68 9.239 7.218 -4.471 1.00 0.00 C ATOM 1068 O LYS A 68 10.370 6.979 -4.883 1.00 0.00 O ATOM 1069 CB LYS A 68 7.672 6.506 -6.340 1.00 0.00 C ATOM 1070 CG LYS A 68 6.929 7.796 -6.679 1.00 0.00 C ATOM 1071 CD LYS A 68 6.455 7.757 -8.123 1.00 0.00 C ATOM 1072 CE LYS A 68 5.567 8.944 -8.480 1.00 0.00 C ATOM 1073 NZ LYS A 68 6.286 10.229 -8.420 1.00 0.00 N ATOM 0 H LYS A 68 6.067 6.840 -4.569 1.00 0.00 H new ATOM 0 HA LYS A 68 8.428 5.316 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.579 6.462 -6.943 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.050 5.662 -6.638 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.077 7.921 -6.011 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.584 8.654 -6.525 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.320 7.743 -8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.906 6.832 -8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.165 8.803 -9.483 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.717 8.975 -7.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.637 11.002 -8.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.648 10.380 -7.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.081 10.213 -9.090 1.00 0.00 H new ATOM 1087 N MET A 69 8.982 8.239 -3.685 1.00 0.00 N ATOM 1088 CA MET A 69 10.055 9.048 -3.137 1.00 0.00 C ATOM 1089 C MET A 69 10.064 8.895 -1.619 1.00 0.00 C ATOM 1090 O MET A 69 11.098 9.050 -0.964 1.00 0.00 O ATOM 1091 CB MET A 69 9.928 10.542 -3.535 1.00 0.00 C ATOM 1092 CG MET A 69 8.724 11.275 -2.943 1.00 0.00 C ATOM 1093 SD MET A 69 8.597 13.000 -3.471 1.00 0.00 S ATOM 1094 CE MET A 69 10.144 13.675 -2.840 1.00 0.00 C ATOM 0 H MET A 69 8.044 8.531 -3.410 1.00 0.00 H new ATOM 0 HA MET A 69 10.998 8.695 -3.554 1.00 0.00 H new ATOM 0 HB2 MET A 69 10.836 11.061 -3.228 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.875 10.608 -4.622 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.813 10.749 -3.227 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.786 11.240 -1.855 1.00 0.00 H new ATOM 0 HE1 MET A 69 10.083 14.763 -2.814 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.322 13.298 -1.833 1.00 0.00 H new ATOM 0 HE3 MET A 69 10.965 13.373 -3.490 1.00 0.00 H new ATOM 1104 N SER A 70 8.927 8.521 -1.072 1.00 0.00 N ATOM 1105 CA SER A 70 8.776 8.407 0.364 1.00 0.00 C ATOM 1106 C SER A 70 9.337 7.088 0.889 1.00 0.00 C ATOM 1107 O SER A 70 9.818 7.028 2.029 1.00 0.00 O ATOM 1108 CB SER A 70 7.315 8.638 0.779 1.00 0.00 C ATOM 1109 OG SER A 70 6.893 9.943 0.364 1.00 0.00 O ATOM 0 H SER A 70 8.088 8.289 -1.604 1.00 0.00 H new ATOM 0 HA SER A 70 9.369 9.193 0.831 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.675 7.879 0.329 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.215 8.540 1.860 1.00 0.00 H new ATOM 0 HG SER A 70 6.005 10.133 0.734 1.00 0.00 H new ATOM 1115 N LEU A 71 9.332 6.050 0.040 1.00 0.00 N ATOM 1116 CA LEU A 71 9.903 4.747 0.384 1.00 0.00 C ATOM 1117 C LEU A 71 11.384 4.882 0.712 1.00 0.00 C ATOM 1118 O LEU A 71 11.935 4.149 1.527 1.00 0.00 O ATOM 1119 CB LEU A 71 9.696 3.778 -0.793 1.00 0.00 C ATOM 1120 CG LEU A 71 10.483 4.068 -2.130 1.00 0.00 C ATOM 1121 CD1 LEU A 71 11.876 3.464 -2.128 1.00 0.00 C ATOM 1122 CD2 LEU A 71 9.722 3.598 -3.352 1.00 0.00 C ATOM 0 H LEU A 71 8.934 6.093 -0.898 1.00 0.00 H new ATOM 0 HA LEU A 71 9.399 4.354 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.966 2.778 -0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.632 3.758 -1.028 1.00 0.00 H new ATOM 0 HG LEU A 71 10.585 5.152 -2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.373 3.693 -3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 71 12.452 3.882 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.804 2.383 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.302 3.818 -4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.553 2.523 -3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.763 4.114 -3.404 1.00 0.00 H new ATOM 1134 N GLU A 72 12.008 5.846 0.063 1.00 0.00 N ATOM 1135 CA GLU A 72 13.403 6.111 0.217 1.00 0.00 C ATOM 1136 C GLU A 72 13.709 6.644 1.598 1.00 0.00 C ATOM 1137 O GLU A 72 14.752 6.351 2.177 1.00 0.00 O ATOM 1138 CB GLU A 72 13.884 7.077 -0.877 1.00 0.00 C ATOM 1139 CG GLU A 72 15.120 7.886 -0.509 1.00 0.00 C ATOM 1140 CD GLU A 72 15.745 8.568 -1.685 1.00 0.00 C ATOM 1141 OE1 GLU A 72 15.253 9.636 -2.095 1.00 0.00 O ATOM 1142 OE2 GLU A 72 16.742 8.047 -2.226 1.00 0.00 O ATOM 0 H GLU A 72 11.541 6.471 -0.594 1.00 0.00 H new ATOM 0 HA GLU A 72 13.947 5.173 0.106 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.096 6.505 -1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.074 7.765 -1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.849 8.634 0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.854 7.227 -0.046 1.00 0.00 H new ATOM 1149 N LYS A 73 12.782 7.378 2.137 1.00 0.00 N ATOM 1150 CA LYS A 73 12.980 7.993 3.415 1.00 0.00 C ATOM 1151 C LYS A 73 12.651 7.004 4.534 1.00 0.00 C ATOM 1152 O LYS A 73 12.983 7.239 5.690 1.00 0.00 O ATOM 1153 CB LYS A 73 12.127 9.254 3.532 1.00 0.00 C ATOM 1154 CG LYS A 73 12.389 10.262 2.425 1.00 0.00 C ATOM 1155 CD LYS A 73 11.553 11.514 2.597 1.00 0.00 C ATOM 1156 CE LYS A 73 11.834 12.516 1.487 1.00 0.00 C ATOM 1157 NZ LYS A 73 11.007 13.733 1.623 1.00 0.00 N ATOM 0 H LYS A 73 11.876 7.566 1.708 1.00 0.00 H new ATOM 0 HA LYS A 73 14.027 8.280 3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.074 8.974 3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.318 9.725 4.496 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.446 10.528 2.418 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.169 9.807 1.459 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.495 11.252 2.595 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.767 11.968 3.564 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.889 12.790 1.503 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.640 12.051 0.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.228 14.391 0.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.000 13.475 1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.210 14.191 2.534 1.00 0.00 H new ATOM 1171 N ALA A 74 11.991 5.905 4.144 1.00 0.00 N ATOM 1172 CA ALA A 74 11.595 4.803 5.024 1.00 0.00 C ATOM 1173 C ALA A 74 10.807 5.286 6.242 1.00 0.00 C ATOM 1174 O ALA A 74 11.393 5.437 7.348 1.00 0.00 O ATOM 1175 CB ALA A 74 12.805 3.952 5.422 1.00 0.00 C ATOM 1176 OXT ALA A 74 9.580 5.536 6.103 1.00 0.00 O ATOM 0 H ALA A 74 11.710 5.756 3.175 1.00 0.00 H new ATOM 0 HA ALA A 74 10.917 4.165 4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.481 3.142 6.075 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.266 3.534 4.527 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.530 4.574 5.947 1.00 0.00 H new TER 1182 ALA A 74