USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 674 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 86 MET CE :methyl -137:sc= -2.8 (180deg=-6.18!) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 4 ASN : amide:sc= 0.739 X(o=-1.9,f=-1.5) USER MOD Set 2.2: A 68 HIS : no HD1:sc= -2.85 K(o=-1.9,f=2.6) USER MOD Set 2.3: A 69 THR OG1 : rot -105:sc= 0.0579 USER MOD Set 2.4: A 89 ASN : amide:sc= 0.171 X(o=-1.9,f=-1.5!) USER MOD Set 3.1: A 65 ASN : amide:sc= 1.05 K(o=2.3,f=-0.25) USER MOD Set 3.2: A 71 THR OG1 : rot -124:sc= 1.24 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.159 (180deg=-0.671) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.02) USER MOD Single : A 7 ASN : amide:sc= -0.195 K(o=-0.2,f=0.41) USER MOD Single : A 8 SER OG : rot 180:sc=-0.00148 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot -177:sc= 0.23 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.83 K(o=0.83,f=-8.6!) USER MOD Single : A 29 HIS : no HD1:sc= -0.44 X(o=-0.44,f=-0.013) USER MOD Single : A 31 HIS : no HE2:sc= 1.19 K(o=1.2,f=-5.1!) USER MOD Single : A 33 THR OG1 : rot 100:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.837 K(o=-0.84,f=-0.32) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 1.13 K(o=1.1,f=-3.2) USER MOD Single : A 45 ASN : amide:sc= -4.9! C(o=-4.9!,f=-6.7!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -160:sc= -0.053 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 31:sc= 0.0916 USER MOD Single : A 73 SER OG : rot -130:sc= 0.533 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.00065) USER MOD Single : A 84 SER OG : rot 44:sc= -1.04! USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.67! C(o=-1.7!,f=-5.3!) USER MOD Single : A 95 SER OG : rot -170:sc= -0.0633 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= -0.0602 USER MOD Single : A 106 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.019) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 112 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0362) USER MOD Single : A 113 SER OG : rot 114:sc= 1.26 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.631 -0.853 0.393 1.00 0.00 N ATOM 2 CA MET A 1 15.815 -1.949 0.948 1.00 0.00 C ATOM 3 C MET A 1 14.601 -2.211 0.068 1.00 0.00 C ATOM 4 O MET A 1 13.678 -1.399 0.008 1.00 0.00 O ATOM 5 CB MET A 1 15.361 -1.602 2.368 1.00 0.00 C ATOM 6 CG MET A 1 14.587 -2.718 3.052 1.00 0.00 C ATOM 7 SD MET A 1 15.576 -4.212 3.279 1.00 0.00 S ATOM 8 CE MET A 1 16.888 -3.591 4.331 1.00 0.00 C ATOM 0 H1 MET A 1 17.455 -0.688 1.006 1.00 0.00 H new ATOM 0 H2 MET A 1 16.956 -1.111 -0.561 1.00 0.00 H new ATOM 0 H3 MET A 1 16.059 0.014 0.342 1.00 0.00 H new ATOM 0 HA MET A 1 16.426 -2.851 0.978 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.236 -1.357 2.970 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.738 -0.708 2.333 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.235 -2.369 4.023 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.704 -2.958 2.460 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.391 -4.427 4.817 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.606 -3.036 3.728 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.465 -2.932 5.089 1.00 0.00 H new ATOM 18 N GLN A 2 14.619 -3.333 -0.632 1.00 0.00 N ATOM 19 CA GLN A 2 13.515 -3.713 -1.496 1.00 0.00 C ATOM 20 C GLN A 2 12.529 -4.571 -0.725 1.00 0.00 C ATOM 21 O GLN A 2 12.912 -5.514 -0.034 1.00 0.00 O ATOM 22 CB GLN A 2 14.009 -4.474 -2.725 1.00 0.00 C ATOM 23 CG GLN A 2 14.344 -3.597 -3.926 1.00 0.00 C ATOM 24 CD GLN A 2 15.398 -2.546 -3.638 1.00 0.00 C ATOM 25 OE1 GLN A 2 16.597 -2.800 -3.761 1.00 0.00 O ATOM 26 NE2 GLN A 2 14.963 -1.345 -3.290 1.00 0.00 N ATOM 0 H GLN A 2 15.391 -4.000 -0.618 1.00 0.00 H new ATOM 0 HA GLN A 2 13.022 -2.802 -1.835 1.00 0.00 H new ATOM 0 HB2 GLN A 2 14.896 -5.044 -2.450 1.00 0.00 H new ATOM 0 HB3 GLN A 2 13.246 -5.194 -3.020 1.00 0.00 H new ATOM 0 HG2 GLN A 2 14.689 -4.231 -4.743 1.00 0.00 H new ATOM 0 HG3 GLN A 2 13.435 -3.103 -4.269 1.00 0.00 H new ATOM 0 HE21 GLN A 2 13.962 -1.172 -3.198 1.00 0.00 H new ATOM 0 HE22 GLN A 2 15.629 -0.593 -3.114 1.00 0.00 H new ATOM 33 N CYS A 3 11.265 -4.233 -0.849 1.00 0.00 N ATOM 34 CA CYS A 3 10.209 -4.958 -0.166 1.00 0.00 C ATOM 35 C CYS A 3 9.385 -5.770 -1.153 1.00 0.00 C ATOM 36 O CYS A 3 9.493 -6.995 -1.194 1.00 0.00 O ATOM 37 CB CYS A 3 9.316 -3.988 0.603 1.00 0.00 C ATOM 38 SG CYS A 3 9.694 -3.882 2.389 1.00 0.00 S ATOM 0 H CYS A 3 10.938 -3.454 -1.421 1.00 0.00 H new ATOM 0 HA CYS A 3 10.668 -5.649 0.542 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.412 -2.996 0.163 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.277 -4.292 0.480 1.00 0.00 H new ATOM 42 N ASN A 4 8.571 -5.073 -1.945 1.00 0.00 N ATOM 43 CA ASN A 4 7.716 -5.699 -2.956 1.00 0.00 C ATOM 44 C ASN A 4 6.830 -6.802 -2.374 1.00 0.00 C ATOM 45 O ASN A 4 7.190 -7.975 -2.419 1.00 0.00 O ATOM 46 CB ASN A 4 8.555 -6.293 -4.102 1.00 0.00 C ATOM 47 CG ASN A 4 9.239 -5.249 -4.957 1.00 0.00 C ATOM 48 OD1 ASN A 4 8.638 -4.693 -5.874 1.00 0.00 O ATOM 49 ND2 ASN A 4 10.512 -5.011 -4.695 1.00 0.00 N ATOM 0 H ASN A 4 8.485 -4.057 -1.905 1.00 0.00 H new ATOM 0 HA ASN A 4 7.074 -4.905 -3.337 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.310 -6.957 -3.682 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.910 -6.903 -4.735 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.034 -4.344 -5.264 1.00 0.00 H new ATOM 0 HD22 ASN A 4 10.973 -5.494 -3.924 1.00 0.00 H new ATOM 55 N PHE A 5 5.670 -6.443 -1.831 1.00 0.00 N ATOM 56 CA PHE A 5 4.763 -7.453 -1.281 1.00 0.00 C ATOM 57 C PHE A 5 4.299 -8.405 -2.388 1.00 0.00 C ATOM 58 O PHE A 5 4.191 -9.613 -2.185 1.00 0.00 O ATOM 59 CB PHE A 5 3.551 -6.791 -0.600 1.00 0.00 C ATOM 60 CG PHE A 5 2.507 -6.265 -1.552 1.00 0.00 C ATOM 61 CD1 PHE A 5 2.778 -5.195 -2.390 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.250 -6.849 -1.605 1.00 0.00 C ATOM 63 CE1 PHE A 5 1.819 -4.718 -3.263 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.288 -6.376 -2.476 1.00 0.00 C ATOM 65 CZ PHE A 5 0.572 -5.309 -3.305 1.00 0.00 C ATOM 0 H PHE A 5 5.338 -5.481 -1.759 1.00 0.00 H new ATOM 0 HA PHE A 5 5.304 -8.025 -0.527 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.084 -7.516 0.066 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.904 -5.968 0.022 1.00 0.00 H new ATOM 0 HD1 PHE A 5 3.751 -4.728 -2.360 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.021 -7.683 -0.958 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.045 -3.884 -3.911 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.686 -6.841 -2.509 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.180 -4.937 -3.985 1.00 0.00 H new ATOM 74 N ALA A 6 4.076 -7.842 -3.573 1.00 0.00 N ATOM 75 CA ALA A 6 3.619 -8.595 -4.738 1.00 0.00 C ATOM 76 C ALA A 6 4.662 -9.597 -5.218 1.00 0.00 C ATOM 77 O ALA A 6 4.333 -10.556 -5.914 1.00 0.00 O ATOM 78 CB ALA A 6 3.263 -7.645 -5.864 1.00 0.00 C ATOM 0 H ALA A 6 4.208 -6.847 -3.753 1.00 0.00 H new ATOM 0 HA ALA A 6 2.735 -9.157 -4.436 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.923 -8.216 -6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.468 -6.975 -5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.141 -7.060 -6.138 1.00 0.00 H new ATOM 84 N ASN A 7 5.915 -9.370 -4.830 1.00 0.00 N ATOM 85 CA ASN A 7 7.038 -10.222 -5.228 1.00 0.00 C ATOM 86 C ASN A 7 6.754 -11.694 -4.929 1.00 0.00 C ATOM 87 O ASN A 7 7.258 -12.588 -5.608 1.00 0.00 O ATOM 88 CB ASN A 7 8.294 -9.776 -4.478 1.00 0.00 C ATOM 89 CG ASN A 7 9.587 -10.105 -5.197 1.00 0.00 C ATOM 90 OD1 ASN A 7 9.698 -11.114 -5.891 1.00 0.00 O ATOM 91 ND2 ASN A 7 10.580 -9.244 -5.037 1.00 0.00 N ATOM 0 H ASN A 7 6.183 -8.590 -4.230 1.00 0.00 H new ATOM 0 HA ASN A 7 7.185 -10.121 -6.303 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.245 -8.700 -4.314 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.306 -10.248 -3.496 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.475 -9.407 -5.498 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.450 -8.418 -4.453 1.00 0.00 H new ATOM 97 N SER A 8 5.948 -11.947 -3.909 1.00 0.00 N ATOM 98 CA SER A 8 5.597 -13.308 -3.546 1.00 0.00 C ATOM 99 C SER A 8 4.160 -13.378 -3.033 1.00 0.00 C ATOM 100 O SER A 8 3.828 -14.234 -2.216 1.00 0.00 O ATOM 101 CB SER A 8 6.570 -13.843 -2.493 1.00 0.00 C ATOM 102 OG SER A 8 7.910 -13.762 -2.952 1.00 0.00 O ATOM 0 H SER A 8 5.527 -11.228 -3.320 1.00 0.00 H new ATOM 0 HA SER A 8 5.670 -13.932 -4.437 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.463 -13.273 -1.570 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.324 -14.879 -2.258 1.00 0.00 H new ATOM 0 HG SER A 8 8.514 -14.108 -2.262 1.00 0.00 H new ATOM 107 N CYS A 9 3.315 -12.475 -3.514 1.00 0.00 N ATOM 108 CA CYS A 9 1.916 -12.455 -3.097 1.00 0.00 C ATOM 109 C CYS A 9 0.991 -12.667 -4.285 1.00 0.00 C ATOM 110 O CYS A 9 1.242 -12.164 -5.378 1.00 0.00 O ATOM 111 CB CYS A 9 1.559 -11.145 -2.398 1.00 0.00 C ATOM 112 SG CYS A 9 0.961 -11.365 -0.690 1.00 0.00 S ATOM 0 H CYS A 9 3.569 -11.752 -4.187 1.00 0.00 H new ATOM 0 HA CYS A 9 1.781 -13.273 -2.390 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.437 -10.499 -2.386 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.793 -10.631 -2.978 1.00 0.00 H new ATOM 116 N THR A 10 -0.079 -13.414 -4.060 1.00 0.00 N ATOM 117 CA THR A 10 -1.045 -13.703 -5.109 1.00 0.00 C ATOM 118 C THR A 10 -2.475 -13.604 -4.581 1.00 0.00 C ATOM 119 O THR A 10 -2.702 -13.704 -3.372 1.00 0.00 O ATOM 120 CB THR A 10 -0.818 -15.110 -5.696 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.664 -16.064 -4.636 1.00 0.00 O ATOM 122 CG2 THR A 10 0.410 -15.142 -6.591 1.00 0.00 C ATOM 0 H THR A 10 -0.301 -13.833 -3.157 1.00 0.00 H new ATOM 0 HA THR A 10 -0.902 -12.960 -5.894 1.00 0.00 H new ATOM 0 HB THR A 10 -1.689 -15.367 -6.298 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.522 -16.956 -5.017 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.543 -16.148 -6.990 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.279 -14.440 -7.414 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.290 -14.862 -6.012 1.00 0.00 H new ATOM 130 N GLY A 11 -3.424 -13.384 -5.489 1.00 0.00 N ATOM 131 CA GLY A 11 -4.829 -13.294 -5.112 1.00 0.00 C ATOM 132 C GLY A 11 -5.132 -12.111 -4.214 1.00 0.00 C ATOM 133 O GLY A 11 -6.007 -12.188 -3.349 1.00 0.00 O ATOM 0 H GLY A 11 -3.245 -13.266 -6.486 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.437 -13.222 -6.014 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.121 -14.212 -4.603 1.00 0.00 H new ATOM 137 N VAL A 12 -4.425 -11.011 -4.431 1.00 0.00 N ATOM 138 CA VAL A 12 -4.615 -9.808 -3.629 1.00 0.00 C ATOM 139 C VAL A 12 -5.961 -9.144 -3.914 1.00 0.00 C ATOM 140 O VAL A 12 -6.407 -9.080 -5.061 1.00 0.00 O ATOM 141 CB VAL A 12 -3.480 -8.791 -3.864 1.00 0.00 C ATOM 142 CG1 VAL A 12 -2.163 -9.329 -3.327 1.00 0.00 C ATOM 143 CG2 VAL A 12 -3.357 -8.456 -5.341 1.00 0.00 C ATOM 0 H VAL A 12 -3.713 -10.926 -5.157 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.598 -10.124 -2.586 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.724 -7.875 -3.325 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.373 -8.598 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.255 -9.515 -2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.915 -10.260 -3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.551 -7.737 -5.485 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.138 -9.364 -5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.294 -8.026 -5.696 1.00 0.00 H new ATOM 153 N GLU A 13 -6.612 -8.679 -2.858 1.00 0.00 N ATOM 154 CA GLU A 13 -7.905 -8.017 -2.975 1.00 0.00 C ATOM 155 C GLU A 13 -7.913 -6.717 -2.165 1.00 0.00 C ATOM 156 O GLU A 13 -7.469 -6.694 -1.014 1.00 0.00 O ATOM 157 CB GLU A 13 -9.016 -8.964 -2.505 1.00 0.00 C ATOM 158 CG GLU A 13 -8.825 -9.486 -1.087 1.00 0.00 C ATOM 159 CD GLU A 13 -9.767 -10.623 -0.744 1.00 0.00 C ATOM 160 OE1 GLU A 13 -10.979 -10.503 -1.011 1.00 0.00 O ATOM 161 OE2 GLU A 13 -9.296 -11.651 -0.206 1.00 0.00 O ATOM 0 H GLU A 13 -6.263 -8.748 -1.902 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.085 -7.763 -4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.972 -8.444 -2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.071 -9.811 -3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.796 -9.824 -0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.977 -8.669 -0.381 1.00 0.00 H new ATOM 166 N LEU A 14 -8.399 -5.635 -2.770 1.00 0.00 N ATOM 167 CA LEU A 14 -8.452 -4.340 -2.100 1.00 0.00 C ATOM 168 C LEU A 14 -9.886 -3.831 -1.998 1.00 0.00 C ATOM 169 O LEU A 14 -10.583 -3.695 -3.005 1.00 0.00 O ATOM 170 CB LEU A 14 -7.586 -3.319 -2.850 1.00 0.00 C ATOM 171 CG LEU A 14 -7.641 -1.879 -2.321 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.254 -1.817 -0.852 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.731 -0.991 -3.133 1.00 0.00 C ATOM 0 H LEU A 14 -8.762 -5.631 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.063 -4.468 -1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.550 -3.658 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.889 -3.313 -3.897 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.667 -1.524 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.302 -0.784 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.943 -2.428 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.239 -2.194 -0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.779 0.028 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.707 -1.358 -3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.049 -1.000 -4.176 1.00 0.00 H new ATOM 184 N TYR A 15 -10.322 -3.556 -0.774 1.00 0.00 N ATOM 185 CA TYR A 15 -11.670 -3.049 -0.533 1.00 0.00 C ATOM 186 C TYR A 15 -11.627 -1.794 0.325 1.00 0.00 C ATOM 187 O TYR A 15 -11.422 -1.871 1.537 1.00 0.00 O ATOM 188 CB TYR A 15 -12.530 -4.106 0.162 1.00 0.00 C ATOM 189 CG TYR A 15 -12.656 -5.395 -0.611 1.00 0.00 C ATOM 190 CD1 TYR A 15 -13.554 -5.511 -1.662 1.00 0.00 C ATOM 191 CD2 TYR A 15 -11.876 -6.496 -0.288 1.00 0.00 C ATOM 192 CE1 TYR A 15 -13.671 -6.690 -2.371 1.00 0.00 C ATOM 193 CE2 TYR A 15 -11.988 -7.678 -0.991 1.00 0.00 C ATOM 194 CZ TYR A 15 -12.886 -7.772 -2.033 1.00 0.00 C ATOM 195 OH TYR A 15 -13.001 -8.953 -2.735 1.00 0.00 O ATOM 0 H TYR A 15 -9.761 -3.676 0.069 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.111 -2.808 -1.500 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.103 -4.321 1.142 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.526 -3.696 0.331 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -14.171 -4.666 -1.930 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.170 -6.427 0.526 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -14.375 -6.764 -3.187 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.375 -8.526 -0.726 1.00 0.00 H new ATOM 0 HH TYR A 15 -12.411 -9.628 -2.339 1.00 0.00 H new ATOM 204 N GLY A 16 -11.782 -0.641 -0.310 1.00 0.00 N ATOM 205 CA GLY A 16 -11.775 0.620 0.411 1.00 0.00 C ATOM 206 C GLY A 16 -10.384 1.053 0.831 1.00 0.00 C ATOM 207 O GLY A 16 -9.909 2.113 0.436 1.00 0.00 O ATOM 0 H GLY A 16 -11.913 -0.554 -1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.217 1.394 -0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.405 0.530 1.296 1.00 0.00 H new ATOM 211 N TYR A 17 -9.735 0.232 1.645 1.00 0.00 N ATOM 212 CA TYR A 17 -8.390 0.531 2.122 1.00 0.00 C ATOM 213 C TYR A 17 -7.728 -0.684 2.774 1.00 0.00 C ATOM 214 O TYR A 17 -6.750 -0.542 3.516 1.00 0.00 O ATOM 215 CB TYR A 17 -8.421 1.706 3.108 1.00 0.00 C ATOM 216 CG TYR A 17 -9.567 1.655 4.101 1.00 0.00 C ATOM 217 CD1 TYR A 17 -9.665 0.632 5.038 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.552 2.632 4.095 1.00 0.00 C ATOM 219 CE1 TYR A 17 -10.713 0.585 5.936 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.602 2.594 4.991 1.00 0.00 C ATOM 221 CZ TYR A 17 -11.677 1.567 5.909 1.00 0.00 C ATOM 222 OH TYR A 17 -12.721 1.523 6.803 1.00 0.00 O ATOM 0 H TYR A 17 -10.118 -0.648 1.990 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.792 0.805 1.253 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.480 1.730 3.657 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.485 2.637 2.545 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.909 -0.139 5.064 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.497 3.437 3.377 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.776 -0.218 6.656 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.360 3.363 4.973 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.313 2.289 6.652 1.00 0.00 H new ATOM 231 N ILE A 18 -8.253 -1.872 2.503 1.00 0.00 N ATOM 232 CA ILE A 18 -7.694 -3.097 3.058 1.00 0.00 C ATOM 233 C ILE A 18 -7.245 -4.028 1.938 1.00 0.00 C ATOM 234 O ILE A 18 -8.012 -4.319 1.020 1.00 0.00 O ATOM 235 CB ILE A 18 -8.688 -3.836 3.988 1.00 0.00 C ATOM 236 CG1 ILE A 18 -10.025 -4.092 3.279 1.00 0.00 C ATOM 237 CG2 ILE A 18 -8.901 -3.046 5.271 1.00 0.00 C ATOM 238 CD1 ILE A 18 -11.020 -4.876 4.111 1.00 0.00 C ATOM 0 H ILE A 18 -9.065 -2.013 1.902 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.835 -2.807 3.664 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.257 -4.804 4.244 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.469 -3.135 3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.836 -4.633 2.352 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.602 -3.578 5.914 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.949 -2.930 5.789 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.305 -2.063 5.030 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.939 -5.016 3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.597 -5.848 4.363 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.240 -4.328 5.027 1.00 0.00 H new ATOM 249 N LEU A 19 -5.996 -4.468 2.010 1.00 0.00 N ATOM 250 CA LEU A 19 -5.426 -5.352 1.002 1.00 0.00 C ATOM 251 C LEU A 19 -5.068 -6.698 1.594 1.00 0.00 C ATOM 252 O LEU A 19 -4.193 -6.793 2.448 1.00 0.00 O ATOM 253 CB LEU A 19 -4.158 -4.736 0.414 1.00 0.00 C ATOM 254 CG LEU A 19 -4.202 -4.404 -1.075 1.00 0.00 C ATOM 255 CD1 LEU A 19 -2.943 -3.657 -1.470 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.352 -5.672 -1.901 1.00 0.00 C ATOM 0 H LEU A 19 -5.353 -4.224 2.763 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.178 -5.486 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.934 -3.821 0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.330 -5.423 0.588 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.066 -3.769 -1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.978 -3.422 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.873 -2.733 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.072 -4.279 -1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.382 -5.415 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.506 -6.332 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.277 -6.179 -1.625 1.00 0.00 H new ATOM 267 N ARG A 20 -5.738 -7.735 1.151 1.00 0.00 N ATOM 268 CA ARG A 20 -5.438 -9.066 1.623 1.00 0.00 C ATOM 269 C ARG A 20 -4.836 -9.868 0.487 1.00 0.00 C ATOM 270 O ARG A 20 -5.283 -9.766 -0.652 1.00 0.00 O ATOM 271 CB ARG A 20 -6.677 -9.777 2.147 1.00 0.00 C ATOM 272 CG ARG A 20 -6.370 -11.164 2.686 1.00 0.00 C ATOM 273 CD ARG A 20 -7.614 -12.029 2.716 1.00 0.00 C ATOM 274 NE ARG A 20 -8.534 -11.606 3.766 1.00 0.00 N ATOM 275 CZ ARG A 20 -9.826 -11.357 3.575 1.00 0.00 C ATOM 276 NH1 ARG A 20 -10.355 -11.438 2.360 1.00 0.00 N ATOM 277 NH2 ARG A 20 -10.588 -11.006 4.601 1.00 0.00 N ATOM 0 H ARG A 20 -6.492 -7.684 0.466 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.733 -8.982 2.450 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.130 -9.176 2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.412 -9.857 1.346 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.609 -11.638 2.065 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.956 -11.083 3.691 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.116 -11.980 1.750 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.331 -13.069 2.876 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.162 -11.494 4.709 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.769 -11.693 1.565 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.347 -11.245 2.222 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.183 -10.928 5.534 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.580 -10.814 4.458 1.00 0.00 H new ATOM 288 N GLY A 21 -3.825 -10.649 0.793 1.00 0.00 N ATOM 289 CA GLY A 21 -3.194 -11.452 -0.224 1.00 0.00 C ATOM 290 C GLY A 21 -2.479 -12.642 0.354 1.00 0.00 C ATOM 291 O GLY A 21 -2.260 -12.720 1.562 1.00 0.00 O ATOM 0 H GLY A 21 -3.427 -10.744 1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.947 -11.793 -0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.485 -10.839 -0.780 1.00 0.00 H new ATOM 295 N ASP A 22 -2.140 -13.581 -0.504 1.00 0.00 N ATOM 296 CA ASP A 22 -1.425 -14.770 -0.087 1.00 0.00 C ATOM 297 C ASP A 22 0.048 -14.592 -0.400 1.00 0.00 C ATOM 298 O ASP A 22 0.459 -14.672 -1.560 1.00 0.00 O ATOM 299 CB ASP A 22 -1.981 -16.008 -0.794 1.00 0.00 C ATOM 300 CG ASP A 22 -3.347 -16.416 -0.274 1.00 0.00 C ATOM 301 OD1 ASP A 22 -4.327 -15.677 -0.511 1.00 0.00 O ATOM 302 OD2 ASP A 22 -3.452 -17.486 0.361 1.00 0.00 O ATOM 0 H ASP A 22 -2.350 -13.544 -1.502 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.553 -14.915 0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.048 -15.811 -1.864 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.286 -16.837 -0.666 1.00 0.00 H new ATOM 306 N CYS A 23 0.839 -14.355 0.631 1.00 0.00 N ATOM 307 CA CYS A 23 2.265 -14.139 0.457 1.00 0.00 C ATOM 308 C CYS A 23 3.041 -15.373 0.889 1.00 0.00 C ATOM 309 O CYS A 23 2.819 -15.913 1.969 1.00 0.00 O ATOM 310 CB CYS A 23 2.728 -12.929 1.279 1.00 0.00 C ATOM 311 SG CYS A 23 2.658 -11.315 0.419 1.00 0.00 S ATOM 0 H CYS A 23 0.518 -14.307 1.598 1.00 0.00 H new ATOM 0 HA CYS A 23 2.455 -13.946 -0.599 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.116 -12.868 2.179 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.754 -13.104 1.603 1.00 0.00 H new ATOM 315 N ILE A 24 3.970 -15.794 0.046 1.00 0.00 N ATOM 316 CA ILE A 24 4.784 -16.974 0.307 1.00 0.00 C ATOM 317 C ILE A 24 5.766 -16.729 1.449 1.00 0.00 C ATOM 318 O ILE A 24 6.351 -15.650 1.557 1.00 0.00 O ATOM 319 CB ILE A 24 5.561 -17.389 -0.960 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.590 -17.569 -2.129 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.348 -18.667 -0.719 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.264 -17.949 -3.426 1.00 0.00 C ATOM 0 H ILE A 24 4.182 -15.330 -0.837 1.00 0.00 H new ATOM 0 HA ILE A 24 4.109 -17.779 0.596 1.00 0.00 H new ATOM 0 HB ILE A 24 6.271 -16.600 -1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.862 -18.337 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.036 -16.642 -2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.887 -18.939 -1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.059 -18.509 0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.663 -19.471 -0.449 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.513 -18.059 -4.208 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.972 -17.170 -3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.795 -18.892 -3.298 1.00 0.00 H new ATOM 333 N ASN A 25 5.931 -17.732 2.302 1.00 0.00 N ATOM 334 CA ASN A 25 6.845 -17.633 3.432 1.00 0.00 C ATOM 335 C ASN A 25 8.063 -18.520 3.192 1.00 0.00 C ATOM 336 O ASN A 25 8.216 -19.067 2.101 1.00 0.00 O ATOM 337 CB ASN A 25 6.141 -18.016 4.745 1.00 0.00 C ATOM 338 CG ASN A 25 5.944 -19.510 4.911 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.746 -20.182 5.554 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.886 -20.036 4.325 1.00 0.00 N ATOM 0 H ASN A 25 5.443 -18.625 2.232 1.00 0.00 H new ATOM 0 HA ASN A 25 7.175 -16.598 3.524 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.725 -17.639 5.585 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.170 -17.523 4.785 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.709 -21.038 4.397 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.245 -19.441 3.800 1.00 0.00 H new ATOM 346 N GLU A 26 8.909 -18.676 4.204 1.00 0.00 N ATOM 347 CA GLU A 26 10.119 -19.493 4.087 1.00 0.00 C ATOM 348 C GLU A 26 9.809 -20.923 3.627 1.00 0.00 C ATOM 349 O GLU A 26 10.610 -21.551 2.933 1.00 0.00 O ATOM 350 CB GLU A 26 10.850 -19.526 5.429 1.00 0.00 C ATOM 351 CG GLU A 26 10.030 -20.139 6.553 1.00 0.00 C ATOM 352 CD GLU A 26 10.734 -20.084 7.889 1.00 0.00 C ATOM 353 OE1 GLU A 26 11.780 -20.747 8.042 1.00 0.00 O ATOM 354 OE2 GLU A 26 10.235 -19.386 8.794 1.00 0.00 O ATOM 0 H GLU A 26 8.781 -18.247 5.120 1.00 0.00 H new ATOM 0 HA GLU A 26 10.754 -19.036 3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.775 -20.091 5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.129 -18.510 5.707 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.077 -19.616 6.628 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.805 -21.177 6.308 1.00 0.00 H new ATOM 359 N ASP A 27 8.636 -21.418 4.007 1.00 0.00 N ATOM 360 CA ASP A 27 8.201 -22.770 3.661 1.00 0.00 C ATOM 361 C ASP A 27 8.024 -22.938 2.154 1.00 0.00 C ATOM 362 O ASP A 27 8.035 -24.053 1.632 1.00 0.00 O ATOM 363 CB ASP A 27 6.888 -23.087 4.376 1.00 0.00 C ATOM 364 CG ASP A 27 6.489 -24.543 4.259 1.00 0.00 C ATOM 365 OD1 ASP A 27 7.246 -25.413 4.737 1.00 0.00 O ATOM 366 OD2 ASP A 27 5.414 -24.823 3.698 1.00 0.00 O ATOM 0 H ASP A 27 7.959 -20.895 4.563 1.00 0.00 H new ATOM 0 HA ASP A 27 8.976 -23.465 3.984 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.982 -22.825 5.430 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.095 -22.464 3.962 1.00 0.00 H new ATOM 370 N GLY A 28 7.855 -21.823 1.454 1.00 0.00 N ATOM 371 CA GLY A 28 7.676 -21.870 0.017 1.00 0.00 C ATOM 372 C GLY A 28 6.216 -21.931 -0.363 1.00 0.00 C ATOM 373 O GLY A 28 5.870 -22.057 -1.534 1.00 0.00 O ATOM 0 H GLY A 28 7.839 -20.886 1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.133 -20.990 -0.435 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.193 -22.741 -0.386 1.00 0.00 H new ATOM 377 N HIS A 29 5.355 -21.847 0.640 1.00 0.00 N ATOM 378 CA HIS A 29 3.918 -21.882 0.421 1.00 0.00 C ATOM 379 C HIS A 29 3.296 -20.537 0.778 1.00 0.00 C ATOM 380 O HIS A 29 3.794 -19.823 1.653 1.00 0.00 O ATOM 381 CB HIS A 29 3.279 -23.009 1.237 1.00 0.00 C ATOM 382 CG HIS A 29 3.645 -24.379 0.749 1.00 0.00 C ATOM 383 ND1 HIS A 29 2.777 -25.181 0.043 1.00 0.00 N ATOM 384 CD2 HIS A 29 4.790 -25.088 0.871 1.00 0.00 C ATOM 385 CE1 HIS A 29 3.371 -26.321 -0.246 1.00 0.00 C ATOM 386 NE2 HIS A 29 4.594 -26.292 0.245 1.00 0.00 N ATOM 0 H HIS A 29 5.629 -21.754 1.618 1.00 0.00 H new ATOM 0 HA HIS A 29 3.731 -22.078 -0.635 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.582 -22.910 2.279 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.195 -22.899 1.208 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.692 -24.765 1.369 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.930 -27.141 -0.793 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.281 -27.042 0.171 1.00 0.00 H new ATOM 394 N PRO A 30 2.211 -20.161 0.082 1.00 0.00 N ATOM 395 CA PRO A 30 1.516 -18.892 0.311 1.00 0.00 C ATOM 396 C PRO A 30 0.758 -18.857 1.635 1.00 0.00 C ATOM 397 O PRO A 30 0.030 -19.789 1.981 1.00 0.00 O ATOM 398 CB PRO A 30 0.545 -18.798 -0.865 1.00 0.00 C ATOM 399 CG PRO A 30 0.310 -20.206 -1.286 1.00 0.00 C ATOM 400 CD PRO A 30 1.586 -20.945 -1.002 1.00 0.00 C ATOM 0 HA PRO A 30 2.217 -18.059 0.373 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.386 -18.314 -0.570 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.967 -18.208 -1.679 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.524 -20.643 -0.736 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.057 -20.259 -2.345 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.393 -21.972 -0.693 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.226 -20.992 -1.883 1.00 0.00 H new ATOM 405 N HIS A 31 0.949 -17.773 2.365 1.00 0.00 N ATOM 406 CA HIS A 31 0.306 -17.560 3.648 1.00 0.00 C ATOM 407 C HIS A 31 -0.577 -16.316 3.569 1.00 0.00 C ATOM 408 O HIS A 31 -0.146 -15.274 3.076 1.00 0.00 O ATOM 409 CB HIS A 31 1.368 -17.396 4.746 1.00 0.00 C ATOM 410 CG HIS A 31 0.818 -17.000 6.087 1.00 0.00 C ATOM 411 ND1 HIS A 31 1.025 -15.756 6.641 1.00 0.00 N ATOM 412 CD2 HIS A 31 0.072 -17.687 6.983 1.00 0.00 C ATOM 413 CE1 HIS A 31 0.431 -15.694 7.815 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.155 -16.850 8.050 1.00 0.00 N ATOM 0 H HIS A 31 1.561 -17.008 2.080 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.314 -18.422 3.894 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.911 -18.335 4.852 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.090 -16.645 4.427 1.00 0.00 H new ATOM 0 HD1 HIS A 31 1.556 -15.000 6.209 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.279 -18.703 6.879 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.425 -14.839 8.474 1.00 0.00 H new ATOM 422 N ALA A 32 -1.806 -16.435 4.047 1.00 0.00 N ATOM 423 CA ALA A 32 -2.750 -15.328 4.026 1.00 0.00 C ATOM 424 C ALA A 32 -2.300 -14.188 4.932 1.00 0.00 C ATOM 425 O ALA A 32 -1.993 -14.391 6.107 1.00 0.00 O ATOM 426 CB ALA A 32 -4.132 -15.811 4.429 1.00 0.00 C ATOM 0 H ALA A 32 -2.175 -17.293 4.457 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.789 -14.942 3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.830 -14.974 4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.467 -16.579 3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.093 -16.227 5.436 1.00 0.00 H new ATOM 432 N THR A 33 -2.248 -12.996 4.365 1.00 0.00 N ATOM 433 CA THR A 33 -1.858 -11.803 5.092 1.00 0.00 C ATOM 434 C THR A 33 -2.714 -10.633 4.623 1.00 0.00 C ATOM 435 O THR A 33 -3.234 -10.646 3.506 1.00 0.00 O ATOM 436 CB THR A 33 -0.360 -11.470 4.879 1.00 0.00 C ATOM 437 OG1 THR A 33 0.042 -10.376 5.717 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.090 -11.122 3.423 1.00 0.00 C ATOM 0 H THR A 33 -2.476 -12.828 3.385 1.00 0.00 H new ATOM 0 HA THR A 33 -2.011 -11.983 6.156 1.00 0.00 H new ATOM 0 HB THR A 33 0.220 -12.353 5.148 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.505 -10.723 6.508 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.967 -10.891 3.294 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.356 -11.969 2.791 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.688 -10.256 3.139 1.00 0.00 H new ATOM 446 N SER A 34 -2.874 -9.638 5.470 1.00 0.00 N ATOM 447 CA SER A 34 -3.671 -8.478 5.121 1.00 0.00 C ATOM 448 C SER A 34 -3.024 -7.197 5.622 1.00 0.00 C ATOM 449 O SER A 34 -2.428 -7.175 6.697 1.00 0.00 O ATOM 450 CB SER A 34 -5.075 -8.628 5.688 1.00 0.00 C ATOM 451 OG SER A 34 -5.046 -9.132 7.016 1.00 0.00 O ATOM 0 H SER A 34 -2.464 -9.608 6.404 1.00 0.00 H new ATOM 0 HA SER A 34 -3.732 -8.414 4.035 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.580 -7.662 5.675 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.655 -9.299 5.055 1.00 0.00 H new ATOM 0 HG SER A 34 -5.962 -9.216 7.354 1.00 0.00 H new ATOM 456 N ILE A 35 -3.128 -6.140 4.830 1.00 0.00 N ATOM 457 CA ILE A 35 -2.552 -4.860 5.189 1.00 0.00 C ATOM 458 C ILE A 35 -3.599 -3.758 5.091 1.00 0.00 C ATOM 459 O ILE A 35 -4.459 -3.780 4.209 1.00 0.00 O ATOM 460 CB ILE A 35 -1.361 -4.465 4.279 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.442 -5.657 4.005 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.562 -3.329 4.903 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.793 -6.418 2.740 1.00 0.00 C ATOM 0 H ILE A 35 -3.609 -6.148 3.931 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.192 -4.968 6.212 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.776 -4.130 3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.586 -5.303 3.932 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.484 -6.340 4.853 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.269 -3.067 4.249 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.207 -2.461 5.036 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.175 -3.645 5.872 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.099 -7.249 2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.810 -6.803 2.817 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.722 -5.750 1.882 1.00 0.00 H new ATOM 474 N ASN A 36 -3.524 -2.803 5.997 1.00 0.00 N ATOM 475 CA ASN A 36 -4.442 -1.678 6.005 1.00 0.00 C ATOM 476 C ASN A 36 -3.731 -0.459 5.426 1.00 0.00 C ATOM 477 O ASN A 36 -3.103 0.311 6.155 1.00 0.00 O ATOM 478 CB ASN A 36 -4.916 -1.390 7.431 1.00 0.00 C ATOM 479 CG ASN A 36 -6.304 -0.772 7.500 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.999 -0.914 8.503 1.00 0.00 O ATOM 481 ND2 ASN A 36 -6.740 -0.114 6.437 1.00 0.00 N ATOM 0 H ASN A 36 -2.830 -2.783 6.744 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.316 -1.914 5.399 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.913 -2.320 8.000 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.205 -0.719 7.912 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.676 0.291 6.437 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.140 -0.012 5.619 1.00 0.00 H new ATOM 487 N LEU A 37 -3.846 -0.289 4.111 1.00 0.00 N ATOM 488 CA LEU A 37 -3.193 0.817 3.396 1.00 0.00 C ATOM 489 C LEU A 37 -3.612 2.168 3.953 1.00 0.00 C ATOM 490 O LEU A 37 -2.897 3.157 3.808 1.00 0.00 O ATOM 491 CB LEU A 37 -3.528 0.796 1.895 1.00 0.00 C ATOM 492 CG LEU A 37 -3.194 -0.482 1.128 1.00 0.00 C ATOM 493 CD1 LEU A 37 -1.880 -1.083 1.604 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.330 -1.476 1.253 1.00 0.00 C ATOM 0 H LEU A 37 -4.390 -0.907 3.509 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.121 0.677 3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.595 0.989 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.003 1.624 1.419 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.071 -0.230 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.670 -1.991 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.074 -0.365 1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.953 -1.324 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.082 -2.383 0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.486 -1.720 2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.241 -1.041 0.843 1.00 0.00 H new ATOM 505 N ASN A 38 -4.775 2.198 4.584 1.00 0.00 N ATOM 506 CA ASN A 38 -5.320 3.423 5.159 1.00 0.00 C ATOM 507 C ASN A 38 -4.326 4.113 6.087 1.00 0.00 C ATOM 508 O ASN A 38 -4.312 5.334 6.182 1.00 0.00 O ATOM 509 CB ASN A 38 -6.598 3.109 5.939 1.00 0.00 C ATOM 510 CG ASN A 38 -7.327 4.349 6.412 1.00 0.00 C ATOM 511 OD1 ASN A 38 -7.056 4.883 7.486 1.00 0.00 O ATOM 512 ND2 ASN A 38 -8.278 4.804 5.614 1.00 0.00 N ATOM 0 H ASN A 38 -5.368 1.378 4.713 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.537 4.099 4.332 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.265 2.521 5.309 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.347 2.491 6.801 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.818 5.627 5.882 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.472 4.332 4.731 1.00 0.00 H new ATOM 518 N TYR A 39 -3.485 3.333 6.747 1.00 0.00 N ATOM 519 CA TYR A 39 -2.514 3.894 7.677 1.00 0.00 C ATOM 520 C TYR A 39 -1.098 3.814 7.122 1.00 0.00 C ATOM 521 O TYR A 39 -0.127 3.947 7.865 1.00 0.00 O ATOM 522 CB TYR A 39 -2.598 3.164 9.021 1.00 0.00 C ATOM 523 CG TYR A 39 -4.007 3.075 9.561 1.00 0.00 C ATOM 524 CD1 TYR A 39 -4.645 4.193 10.078 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.700 1.873 9.540 1.00 0.00 C ATOM 526 CE1 TYR A 39 -5.937 4.116 10.558 1.00 0.00 C ATOM 527 CE2 TYR A 39 -5.992 1.787 10.020 1.00 0.00 C ATOM 528 CZ TYR A 39 -6.607 2.911 10.527 1.00 0.00 C ATOM 529 OH TYR A 39 -7.899 2.830 10.999 1.00 0.00 O ATOM 0 H TYR A 39 -3.453 2.317 6.658 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.754 4.947 7.821 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.195 2.158 8.907 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.969 3.679 9.747 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.123 5.138 10.105 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.221 0.991 9.142 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.421 4.996 10.956 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.518 0.844 9.998 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.225 1.911 10.904 1.00 0.00 H new ATOM 538 N TYR A 40 -0.981 3.595 5.816 1.00 0.00 N ATOM 539 CA TYR A 40 0.332 3.496 5.184 1.00 0.00 C ATOM 540 C TYR A 40 0.462 4.388 3.953 1.00 0.00 C ATOM 541 O TYR A 40 1.569 4.755 3.572 1.00 0.00 O ATOM 542 CB TYR A 40 0.660 2.042 4.829 1.00 0.00 C ATOM 543 CG TYR A 40 0.859 1.158 6.042 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.790 1.491 7.019 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.111 -0.001 6.217 1.00 0.00 C ATOM 546 CE1 TYR A 40 1.971 0.697 8.133 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.285 -0.801 7.332 1.00 0.00 C ATOM 548 CZ TYR A 40 1.217 -0.447 8.287 1.00 0.00 C ATOM 549 OH TYR A 40 1.397 -1.235 9.403 1.00 0.00 O ATOM 0 H TYR A 40 -1.770 3.484 5.179 1.00 0.00 H new ATOM 0 HA TYR A 40 1.056 3.854 5.916 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.146 1.634 4.219 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.564 2.019 4.220 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.382 2.387 6.904 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.617 -0.281 5.470 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.700 0.971 8.881 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.305 -1.697 7.455 1.00 0.00 H new ATOM 0 HH TYR A 40 0.790 -2.003 9.363 1.00 0.00 H new ATOM 558 N ILE A 41 -0.655 4.746 3.341 1.00 0.00 N ATOM 559 CA ILE A 41 -0.641 5.603 2.161 1.00 0.00 C ATOM 560 C ILE A 41 -1.298 6.937 2.489 1.00 0.00 C ATOM 561 O ILE A 41 -2.277 6.983 3.239 1.00 0.00 O ATOM 562 CB ILE A 41 -1.369 4.950 0.964 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.502 3.892 0.283 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.794 5.994 -0.051 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.379 2.612 1.064 1.00 0.00 C ATOM 0 H ILE A 41 -1.586 4.457 3.641 1.00 0.00 H new ATOM 0 HA ILE A 41 0.400 5.756 1.876 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.257 4.460 1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.921 3.669 -0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.494 4.303 0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.304 5.507 -0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.470 6.707 0.421 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.914 6.520 -0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.251 1.911 0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.069 2.820 2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.368 2.176 1.206 1.00 0.00 H new ATOM 576 N GLY A 42 -0.757 8.023 1.943 1.00 0.00 N ATOM 577 CA GLY A 42 -1.317 9.328 2.219 1.00 0.00 C ATOM 578 C GLY A 42 -1.884 10.013 0.996 1.00 0.00 C ATOM 579 O GLY A 42 -1.604 9.627 -0.141 1.00 0.00 O ATOM 0 H GLY A 42 0.051 8.020 1.321 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.104 9.226 2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.544 9.961 2.655 1.00 0.00 H new ATOM 583 N ASN A 43 -2.685 11.040 1.245 1.00 0.00 N ATOM 584 CA ASN A 43 -3.319 11.816 0.188 1.00 0.00 C ATOM 585 C ASN A 43 -2.580 13.133 -0.015 1.00 0.00 C ATOM 586 O ASN A 43 -2.683 14.051 0.803 1.00 0.00 O ATOM 587 CB ASN A 43 -4.789 12.080 0.541 1.00 0.00 C ATOM 588 CG ASN A 43 -5.467 13.056 -0.406 1.00 0.00 C ATOM 589 OD1 ASN A 43 -5.130 13.145 -1.586 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.432 13.802 0.110 1.00 0.00 N ATOM 0 H ASN A 43 -2.914 11.359 2.186 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.277 11.247 -0.741 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.334 11.136 0.530 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.847 12.470 1.557 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.923 14.478 -0.476 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.685 13.701 1.093 1.00 0.00 H new ATOM 596 N ASP A 44 -1.819 13.223 -1.097 1.00 0.00 N ATOM 597 CA ASP A 44 -1.069 14.433 -1.387 1.00 0.00 C ATOM 598 C ASP A 44 -1.652 15.144 -2.602 1.00 0.00 C ATOM 599 O ASP A 44 -1.470 14.705 -3.734 1.00 0.00 O ATOM 600 CB ASP A 44 0.409 14.091 -1.616 1.00 0.00 C ATOM 601 CG ASP A 44 1.223 15.269 -2.115 1.00 0.00 C ATOM 602 OD1 ASP A 44 1.142 16.363 -1.516 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.966 15.098 -3.107 1.00 0.00 O ATOM 0 H ASP A 44 -1.706 12.477 -1.783 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.143 15.106 -0.533 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.840 13.728 -0.683 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.480 13.277 -2.337 1.00 0.00 H new ATOM 607 N ASN A 45 -2.365 16.238 -2.342 1.00 0.00 N ATOM 608 CA ASN A 45 -2.990 17.053 -3.387 1.00 0.00 C ATOM 609 C ASN A 45 -3.858 16.199 -4.308 1.00 0.00 C ATOM 610 O ASN A 45 -3.806 16.334 -5.530 1.00 0.00 O ATOM 611 CB ASN A 45 -1.915 17.779 -4.200 1.00 0.00 C ATOM 612 CG ASN A 45 -2.405 19.067 -4.830 1.00 0.00 C ATOM 613 OD1 ASN A 45 -3.196 19.796 -4.241 1.00 0.00 O ATOM 614 ND2 ASN A 45 -1.932 19.355 -6.033 1.00 0.00 N ATOM 0 H ASN A 45 -2.527 16.587 -1.398 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.633 17.789 -2.904 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.067 18.000 -3.552 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.552 17.115 -4.984 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.224 20.211 -6.504 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.275 18.721 -6.488 1.00 0.00 H new ATOM 620 N GLY A 46 -4.635 15.300 -3.716 1.00 0.00 N ATOM 621 CA GLY A 46 -5.513 14.448 -4.495 1.00 0.00 C ATOM 622 C GLY A 46 -4.776 13.325 -5.198 1.00 0.00 C ATOM 623 O GLY A 46 -5.307 12.705 -6.117 1.00 0.00 O ATOM 0 H GLY A 46 -4.673 15.146 -2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.273 14.022 -3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.034 15.054 -5.236 1.00 0.00 H new ATOM 627 N ARG A 47 -3.555 13.058 -4.763 1.00 0.00 N ATOM 628 CA ARG A 47 -2.741 12.013 -5.360 1.00 0.00 C ATOM 629 C ARG A 47 -2.303 11.009 -4.313 1.00 0.00 C ATOM 630 O ARG A 47 -2.258 11.318 -3.120 1.00 0.00 O ATOM 631 CB ARG A 47 -1.517 12.621 -6.040 1.00 0.00 C ATOM 632 CG ARG A 47 -1.563 12.549 -7.556 1.00 0.00 C ATOM 633 CD ARG A 47 -2.849 13.143 -8.115 1.00 0.00 C ATOM 634 NE ARG A 47 -2.971 14.566 -7.806 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.222 15.504 -8.717 1.00 0.00 C ATOM 636 NH1 ARG A 47 -3.393 15.169 -9.989 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.299 16.777 -8.352 1.00 0.00 N ATOM 0 H ARG A 47 -3.104 13.554 -3.994 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.344 11.496 -6.106 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.425 13.664 -5.737 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.623 12.106 -5.687 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.707 13.082 -7.971 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.476 11.510 -7.873 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.874 13.003 -9.196 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.705 12.608 -7.704 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.857 14.858 -6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.332 14.191 -10.271 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.585 15.890 -10.685 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.166 17.036 -7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.491 17.497 -9.049 1.00 0.00 H new ATOM 648 N LEU A 48 -1.974 9.813 -4.768 1.00 0.00 N ATOM 649 CA LEU A 48 -1.545 8.749 -3.880 1.00 0.00 C ATOM 650 C LEU A 48 -0.061 8.874 -3.579 1.00 0.00 C ATOM 651 O LEU A 48 0.778 8.715 -4.465 1.00 0.00 O ATOM 652 CB LEU A 48 -1.845 7.389 -4.518 1.00 0.00 C ATOM 653 CG LEU A 48 -3.281 7.202 -4.999 1.00 0.00 C ATOM 654 CD1 LEU A 48 -3.495 5.789 -5.500 1.00 0.00 C ATOM 655 CD2 LEU A 48 -4.255 7.527 -3.887 1.00 0.00 C ATOM 0 H LEU A 48 -1.996 9.554 -5.754 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.093 8.830 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.173 7.246 -5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.616 6.607 -3.794 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.461 7.888 -5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.525 5.675 -5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.816 5.590 -6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.298 5.083 -4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.275 7.389 -4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.075 6.865 -3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.117 8.562 -3.574 1.00 0.00 H new ATOM 666 N GLU A 49 0.248 9.165 -2.330 1.00 0.00 N ATOM 667 CA GLU A 49 1.622 9.305 -1.889 1.00 0.00 C ATOM 668 C GLU A 49 2.028 8.055 -1.129 1.00 0.00 C ATOM 669 O GLU A 49 1.279 7.602 -0.258 1.00 0.00 O ATOM 670 CB GLU A 49 1.757 10.547 -1.001 1.00 0.00 C ATOM 671 CG GLU A 49 3.123 10.728 -0.353 1.00 0.00 C ATOM 672 CD GLU A 49 4.239 10.930 -1.355 1.00 0.00 C ATOM 673 OE1 GLU A 49 4.034 11.671 -2.342 1.00 0.00 O ATOM 674 OE2 GLU A 49 5.332 10.364 -1.146 1.00 0.00 O ATOM 0 H GLU A 49 -0.444 9.311 -1.595 1.00 0.00 H new ATOM 0 HA GLU A 49 2.279 9.427 -2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.536 11.430 -1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.003 10.498 -0.216 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.088 11.585 0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.346 9.853 0.258 1.00 0.00 H new ATOM 679 N TYR A 50 3.183 7.494 -1.500 1.00 0.00 N ATOM 680 CA TYR A 50 3.719 6.286 -0.878 1.00 0.00 C ATOM 681 C TYR A 50 3.466 6.220 0.522 1.00 0.00 C ATOM 682 O TYR A 50 2.647 5.394 0.927 1.00 0.00 O ATOM 683 CB TYR A 50 5.204 6.023 -1.165 1.00 0.00 C ATOM 684 CG TYR A 50 5.958 7.108 -1.931 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.555 7.524 -3.195 1.00 0.00 C ATOM 686 CD2 TYR A 50 7.090 7.702 -1.383 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.250 8.499 -3.883 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.788 8.677 -2.066 1.00 0.00 C ATOM 689 CZ TYR A 50 7.364 9.072 -3.313 1.00 0.00 C ATOM 690 OH TYR A 50 8.058 10.046 -3.992 1.00 0.00 O ATOM 0 H TYR A 50 3.772 7.869 -2.243 1.00 0.00 H new ATOM 0 HA TYR A 50 3.163 5.485 -1.365 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.711 5.864 -0.213 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.282 5.093 -1.728 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.682 7.076 -3.647 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.429 7.394 -0.405 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.921 8.810 -4.863 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.664 9.128 -1.623 1.00 0.00 H new ATOM 0 HH TYR A 50 8.817 10.346 -3.449 1.00 0.00 H new ATOM 699 N PRO A 51 4.078 6.978 1.340 1.00 0.00 N ATOM 700 CA PRO A 51 3.747 6.766 2.623 1.00 0.00 C ATOM 701 C PRO A 51 2.897 7.875 3.181 1.00 0.00 C ATOM 702 O PRO A 51 3.162 9.066 2.999 1.00 0.00 O ATOM 703 CB PRO A 51 5.095 6.645 3.209 1.00 0.00 C ATOM 704 CG PRO A 51 5.880 7.733 2.528 1.00 0.00 C ATOM 705 CD PRO A 51 5.177 7.938 1.201 1.00 0.00 C ATOM 0 HA PRO A 51 3.114 5.902 2.823 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.075 6.782 4.290 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.527 5.662 3.020 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.885 8.648 3.120 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.920 7.441 2.385 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.822 8.961 1.072 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.820 7.714 0.350 1.00 0.00 H new ATOM 710 N GLY A 52 1.866 7.475 3.836 1.00 0.00 N ATOM 711 CA GLY A 52 0.956 8.431 4.381 1.00 0.00 C ATOM 712 C GLY A 52 0.020 7.856 5.409 1.00 0.00 C ATOM 713 O GLY A 52 0.240 6.758 5.917 1.00 0.00 O ATOM 0 H GLY A 52 1.628 6.499 4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.524 9.244 4.834 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.370 8.865 3.571 1.00 0.00 H new ATOM 717 N GLU A 53 -1.040 8.599 5.687 1.00 0.00 N ATOM 718 CA GLU A 53 -2.034 8.200 6.668 1.00 0.00 C ATOM 719 C GLU A 53 -3.402 8.778 6.323 1.00 0.00 C ATOM 720 O GLU A 53 -3.502 9.899 5.820 1.00 0.00 O ATOM 721 CB GLU A 53 -1.631 8.678 8.068 1.00 0.00 C ATOM 722 CG GLU A 53 -0.407 7.977 8.632 1.00 0.00 C ATOM 723 CD GLU A 53 0.070 8.582 9.934 1.00 0.00 C ATOM 724 OE1 GLU A 53 -0.521 8.272 10.992 1.00 0.00 O ATOM 725 OE2 GLU A 53 1.049 9.358 9.915 1.00 0.00 O ATOM 0 H GLU A 53 -1.234 9.494 5.239 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.090 7.112 6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.439 9.750 8.033 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.469 8.526 8.748 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.638 6.924 8.790 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.400 8.020 7.900 1.00 0.00 H new ATOM 730 N SER A 54 -4.437 7.988 6.591 1.00 0.00 N ATOM 731 CA SER A 54 -5.825 8.369 6.364 1.00 0.00 C ATOM 732 C SER A 54 -6.095 8.879 4.945 1.00 0.00 C ATOM 733 O SER A 54 -6.778 9.886 4.761 1.00 0.00 O ATOM 734 CB SER A 54 -6.237 9.415 7.392 1.00 0.00 C ATOM 735 OG SER A 54 -6.005 8.943 8.711 1.00 0.00 O ATOM 0 H SER A 54 -4.332 7.050 6.978 1.00 0.00 H new ATOM 0 HA SER A 54 -6.427 7.467 6.478 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.677 10.335 7.226 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.292 9.658 7.268 1.00 0.00 H new ATOM 0 HG SER A 54 -6.274 9.630 9.356 1.00 0.00 H new ATOM 740 N PHE A 55 -5.573 8.187 3.940 1.00 0.00 N ATOM 741 CA PHE A 55 -5.813 8.594 2.562 1.00 0.00 C ATOM 742 C PHE A 55 -7.243 8.239 2.167 1.00 0.00 C ATOM 743 O PHE A 55 -7.915 9.000 1.478 1.00 0.00 O ATOM 744 CB PHE A 55 -4.813 7.940 1.591 1.00 0.00 C ATOM 745 CG PHE A 55 -5.133 6.513 1.222 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.883 5.479 2.107 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.685 6.211 -0.016 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.179 4.174 1.767 1.00 0.00 C ATOM 749 CE2 PHE A 55 -5.981 4.906 -0.360 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.728 3.886 0.534 1.00 0.00 C ATOM 0 H PHE A 55 -4.991 7.356 4.049 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.671 9.673 2.497 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.770 8.536 0.679 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.820 7.971 2.039 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.452 5.695 3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.885 7.006 -0.719 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.980 3.377 2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.409 4.685 -1.326 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.959 2.865 0.270 1.00 0.00 H new ATOM 759 N GLY A 56 -7.724 7.103 2.676 1.00 0.00 N ATOM 760 CA GLY A 56 -9.064 6.634 2.356 1.00 0.00 C ATOM 761 C GLY A 56 -10.130 7.621 2.769 1.00 0.00 C ATOM 762 O GLY A 56 -11.252 7.581 2.269 1.00 0.00 O ATOM 0 H GLY A 56 -7.204 6.496 3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.136 6.452 1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.242 5.681 2.854 1.00 0.00 H new ATOM 766 N SER A 57 -9.760 8.512 3.673 1.00 0.00 N ATOM 767 CA SER A 57 -10.651 9.542 4.167 1.00 0.00 C ATOM 768 C SER A 57 -11.084 10.476 3.034 1.00 0.00 C ATOM 769 O SER A 57 -12.167 11.062 3.075 1.00 0.00 O ATOM 770 CB SER A 57 -9.929 10.325 5.263 1.00 0.00 C ATOM 771 OG SER A 57 -9.617 9.485 6.362 1.00 0.00 O ATOM 0 H SER A 57 -8.828 8.539 4.086 1.00 0.00 H new ATOM 0 HA SER A 57 -11.551 9.082 4.574 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.014 10.761 4.862 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.556 11.152 5.598 1.00 0.00 H new ATOM 0 HG SER A 57 -9.455 10.034 7.158 1.00 0.00 H new ATOM 776 N SER A 58 -10.242 10.592 2.010 1.00 0.00 N ATOM 777 CA SER A 58 -10.538 11.455 0.876 1.00 0.00 C ATOM 778 C SER A 58 -10.256 10.746 -0.449 1.00 0.00 C ATOM 779 O SER A 58 -10.188 11.386 -1.503 1.00 0.00 O ATOM 780 CB SER A 58 -9.698 12.731 0.966 1.00 0.00 C ATOM 781 OG SER A 58 -9.769 13.301 2.265 1.00 0.00 O ATOM 0 H SER A 58 -9.351 10.099 1.945 1.00 0.00 H new ATOM 0 HA SER A 58 -11.598 11.707 0.908 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.660 12.505 0.721 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.049 13.453 0.229 1.00 0.00 H new ATOM 0 HG SER A 58 -9.223 14.114 2.296 1.00 0.00 H new ATOM 786 N CYS A 59 -10.105 9.427 -0.399 1.00 0.00 N ATOM 787 CA CYS A 59 -9.820 8.645 -1.592 1.00 0.00 C ATOM 788 C CYS A 59 -10.886 7.581 -1.829 1.00 0.00 C ATOM 789 O CYS A 59 -11.374 6.951 -0.889 1.00 0.00 O ATOM 790 CB CYS A 59 -8.452 7.976 -1.477 1.00 0.00 C ATOM 791 SG CYS A 59 -7.060 9.135 -1.273 1.00 0.00 S ATOM 0 H CYS A 59 -10.176 8.878 0.458 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.821 9.330 -2.440 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.466 7.292 -0.629 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.280 7.374 -2.369 1.00 0.00 H new ATOM 795 N VAL A 60 -11.240 7.398 -3.093 1.00 0.00 N ATOM 796 CA VAL A 60 -12.235 6.410 -3.495 1.00 0.00 C ATOM 797 C VAL A 60 -11.757 5.669 -4.737 1.00 0.00 C ATOM 798 O VAL A 60 -10.717 6.021 -5.301 1.00 0.00 O ATOM 799 CB VAL A 60 -13.607 7.056 -3.796 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.235 7.617 -2.528 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.467 8.145 -4.851 1.00 0.00 C ATOM 0 H VAL A 60 -10.847 7.929 -3.870 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.358 5.719 -2.661 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.267 6.281 -4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.199 8.066 -2.767 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.378 6.813 -1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.578 8.375 -2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.443 8.587 -5.049 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.786 8.916 -4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.072 7.713 -5.770 1.00 0.00 H new ATOM 811 N LYS A 61 -12.514 4.654 -5.157 1.00 0.00 N ATOM 812 CA LYS A 61 -12.177 3.860 -6.343 1.00 0.00 C ATOM 813 C LYS A 61 -10.849 3.140 -6.150 1.00 0.00 C ATOM 814 O LYS A 61 -10.022 3.079 -7.058 1.00 0.00 O ATOM 815 CB LYS A 61 -12.135 4.742 -7.601 1.00 0.00 C ATOM 816 CG LYS A 61 -13.487 4.922 -8.286 1.00 0.00 C ATOM 817 CD LYS A 61 -14.548 5.478 -7.348 1.00 0.00 C ATOM 818 CE LYS A 61 -15.877 5.675 -8.061 1.00 0.00 C ATOM 819 NZ LYS A 61 -16.972 5.991 -7.109 1.00 0.00 N ATOM 0 H LYS A 61 -13.372 4.360 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.957 3.111 -6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.744 5.723 -7.330 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.435 4.306 -8.313 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.372 5.593 -9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.822 3.962 -8.679 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.683 4.798 -6.507 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.210 6.430 -6.938 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.783 6.482 -8.788 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.128 4.772 -8.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.861 6.118 -7.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -17.078 5.210 -6.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.744 6.867 -6.596 1.00 0.00 H new ATOM 829 N THR A 62 -10.655 2.606 -4.955 1.00 0.00 N ATOM 830 CA THR A 62 -9.437 1.888 -4.615 1.00 0.00 C ATOM 831 C THR A 62 -9.362 0.530 -5.311 1.00 0.00 C ATOM 832 O THR A 62 -10.279 -0.289 -5.203 1.00 0.00 O ATOM 833 CB THR A 62 -9.340 1.674 -3.094 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.580 1.145 -2.606 1.00 0.00 O ATOM 835 CG2 THR A 62 -9.015 2.974 -2.373 1.00 0.00 C ATOM 0 H THR A 62 -11.334 2.658 -4.196 1.00 0.00 H new ATOM 0 HA THR A 62 -8.604 2.501 -4.958 1.00 0.00 H new ATOM 0 HB THR A 62 -8.533 0.968 -2.897 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.000 0.599 -3.303 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.953 2.790 -1.300 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.060 3.359 -2.730 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.798 3.706 -2.571 1.00 0.00 H new ATOM 843 N ALA A 63 -8.257 0.299 -6.004 1.00 0.00 N ATOM 844 CA ALA A 63 -8.027 -0.946 -6.723 1.00 0.00 C ATOM 845 C ALA A 63 -6.528 -1.209 -6.833 1.00 0.00 C ATOM 846 O ALA A 63 -5.720 -0.300 -6.637 1.00 0.00 O ATOM 847 CB ALA A 63 -8.666 -0.903 -8.103 1.00 0.00 C ATOM 0 H ALA A 63 -7.493 0.970 -6.084 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.490 -1.761 -6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.480 -1.845 -8.620 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.741 -0.751 -8.002 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.236 -0.083 -8.678 1.00 0.00 H new ATOM 853 N LEU A 64 -6.157 -2.444 -7.135 1.00 0.00 N ATOM 854 CA LEU A 64 -4.751 -2.809 -7.250 1.00 0.00 C ATOM 855 C LEU A 64 -4.408 -3.286 -8.661 1.00 0.00 C ATOM 856 O LEU A 64 -4.887 -4.328 -9.108 1.00 0.00 O ATOM 857 CB LEU A 64 -4.413 -3.899 -6.221 1.00 0.00 C ATOM 858 CG LEU A 64 -3.510 -3.461 -5.059 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.065 -3.372 -5.509 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.956 -2.123 -4.501 1.00 0.00 C ATOM 0 H LEU A 64 -6.808 -3.210 -7.305 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.152 -1.921 -7.049 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.345 -4.284 -5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.929 -4.726 -6.741 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.591 -4.212 -4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.442 -3.060 -4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.734 -4.348 -5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.979 -2.644 -6.316 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.301 -1.835 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.908 -1.368 -5.285 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.980 -2.204 -4.137 1.00 0.00 H new ATOM 871 N ASN A 65 -3.581 -2.514 -9.361 1.00 0.00 N ATOM 872 CA ASN A 65 -3.152 -2.864 -10.708 1.00 0.00 C ATOM 873 C ASN A 65 -2.150 -4.005 -10.665 1.00 0.00 C ATOM 874 O ASN A 65 -1.062 -3.866 -10.093 1.00 0.00 O ATOM 875 CB ASN A 65 -2.523 -1.660 -11.409 1.00 0.00 C ATOM 876 CG ASN A 65 -3.534 -0.833 -12.175 1.00 0.00 C ATOM 877 OD1 ASN A 65 -4.122 0.109 -11.643 1.00 0.00 O ATOM 878 ND2 ASN A 65 -3.744 -1.181 -13.435 1.00 0.00 N ATOM 0 H ASN A 65 -3.194 -1.637 -9.013 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.032 -3.178 -11.269 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.032 -1.030 -10.668 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.750 -2.007 -12.095 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.414 -0.662 -14.003 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.236 -1.968 -13.838 1.00 0.00 H new ATOM 884 N ASP A 66 -2.548 -5.135 -11.251 1.00 0.00 N ATOM 885 CA ASP A 66 -1.725 -6.350 -11.322 1.00 0.00 C ATOM 886 C ASP A 66 -1.341 -6.860 -9.924 1.00 0.00 C ATOM 887 O ASP A 66 -0.589 -7.822 -9.780 1.00 0.00 O ATOM 888 CB ASP A 66 -0.475 -6.097 -12.175 1.00 0.00 C ATOM 889 CG ASP A 66 0.240 -7.376 -12.579 1.00 0.00 C ATOM 890 OD1 ASP A 66 -0.206 -8.033 -13.543 1.00 0.00 O ATOM 891 OD2 ASP A 66 1.256 -7.724 -11.942 1.00 0.00 O ATOM 0 H ASP A 66 -3.460 -5.237 -11.696 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.321 -7.130 -11.797 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.760 -5.548 -13.073 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.215 -5.462 -11.619 1.00 0.00 H new ATOM 895 N GLY A 67 -1.879 -6.219 -8.894 1.00 0.00 N ATOM 896 CA GLY A 67 -1.591 -6.618 -7.534 1.00 0.00 C ATOM 897 C GLY A 67 -0.306 -6.026 -6.983 1.00 0.00 C ATOM 898 O GLY A 67 0.316 -6.621 -6.109 1.00 0.00 O ATOM 0 H GLY A 67 -2.514 -5.425 -8.980 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.421 -6.320 -6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.528 -7.705 -7.489 1.00 0.00 H new ATOM 902 N HIS A 68 0.094 -4.856 -7.478 1.00 0.00 N ATOM 903 CA HIS A 68 1.316 -4.213 -6.986 1.00 0.00 C ATOM 904 C HIS A 68 1.198 -2.686 -6.962 1.00 0.00 C ATOM 905 O HIS A 68 1.906 -2.012 -6.214 1.00 0.00 O ATOM 906 CB HIS A 68 2.554 -4.649 -7.792 1.00 0.00 C ATOM 907 CG HIS A 68 2.491 -4.411 -9.276 1.00 0.00 C ATOM 908 ND1 HIS A 68 2.731 -5.403 -10.198 1.00 0.00 N ATOM 909 CD2 HIS A 68 2.264 -3.288 -9.996 1.00 0.00 C ATOM 910 CE1 HIS A 68 2.657 -4.902 -11.414 1.00 0.00 C ATOM 911 NE2 HIS A 68 2.372 -3.620 -11.321 1.00 0.00 N ATOM 0 H HIS A 68 -0.399 -4.339 -8.207 1.00 0.00 H new ATOM 0 HA HIS A 68 1.446 -4.549 -5.957 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.424 -4.125 -7.396 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.718 -5.713 -7.621 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.039 -2.309 -9.599 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.805 -5.450 -12.333 1.00 0.00 H new ATOM 0 HE2 HIS A 68 2.251 -2.980 -12.106 1.00 0.00 H new ATOM 919 N THR A 69 0.302 -2.146 -7.773 1.00 0.00 N ATOM 920 CA THR A 69 0.097 -0.712 -7.841 1.00 0.00 C ATOM 921 C THR A 69 -1.295 -0.342 -7.346 1.00 0.00 C ATOM 922 O THR A 69 -2.276 -0.941 -7.753 1.00 0.00 O ATOM 923 CB THR A 69 0.264 -0.224 -9.289 1.00 0.00 C ATOM 924 OG1 THR A 69 1.628 -0.362 -9.699 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.200 1.215 -9.446 1.00 0.00 C ATOM 0 H THR A 69 -0.298 -2.686 -8.397 1.00 0.00 H new ATOM 0 HA THR A 69 0.840 -0.233 -7.203 1.00 0.00 H new ATOM 0 HB THR A 69 -0.363 -0.843 -9.931 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.055 0.520 -9.717 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.068 1.529 -10.482 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.253 1.289 -9.175 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.388 1.860 -8.794 1.00 0.00 H new ATOM 933 N LEU A 70 -1.379 0.625 -6.459 1.00 0.00 N ATOM 934 CA LEU A 70 -2.669 1.063 -5.946 1.00 0.00 C ATOM 935 C LEU A 70 -3.200 2.205 -6.786 1.00 0.00 C ATOM 936 O LEU A 70 -2.502 3.177 -7.028 1.00 0.00 O ATOM 937 CB LEU A 70 -2.551 1.490 -4.477 1.00 0.00 C ATOM 938 CG LEU A 70 -3.692 2.363 -3.932 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.021 1.627 -3.977 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.384 2.807 -2.510 1.00 0.00 C ATOM 0 H LEU A 70 -0.576 1.124 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.368 0.228 -6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.483 0.592 -3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.614 2.033 -4.352 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.774 3.243 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.807 2.272 -3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.253 1.358 -5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.957 0.723 -3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.201 3.425 -2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.271 1.931 -1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.459 3.384 -2.501 1.00 0.00 H new ATOM 951 N THR A 71 -4.420 2.072 -7.252 1.00 0.00 N ATOM 952 CA THR A 71 -5.046 3.113 -8.042 1.00 0.00 C ATOM 953 C THR A 71 -6.288 3.620 -7.334 1.00 0.00 C ATOM 954 O THR A 71 -7.121 2.830 -6.892 1.00 0.00 O ATOM 955 CB THR A 71 -5.422 2.623 -9.452 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.436 1.186 -9.498 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.450 3.170 -10.485 1.00 0.00 C ATOM 0 H THR A 71 -5.003 1.250 -7.098 1.00 0.00 H new ATOM 0 HA THR A 71 -4.321 3.920 -8.152 1.00 0.00 H new ATOM 0 HB THR A 71 -6.421 2.990 -9.686 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.833 0.875 -10.205 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.732 2.813 -11.475 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.479 4.260 -10.471 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.441 2.831 -10.251 1.00 0.00 H new ATOM 965 N ALA A 72 -6.389 4.931 -7.197 1.00 0.00 N ATOM 966 CA ALA A 72 -7.537 5.532 -6.543 1.00 0.00 C ATOM 967 C ALA A 72 -7.676 6.996 -6.933 1.00 0.00 C ATOM 968 O ALA A 72 -6.805 7.559 -7.593 1.00 0.00 O ATOM 969 CB ALA A 72 -7.417 5.396 -5.034 1.00 0.00 C ATOM 0 H ALA A 72 -5.692 5.597 -7.529 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.432 5.004 -6.872 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.285 5.851 -4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.368 4.340 -4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.511 5.899 -4.694 1.00 0.00 H new ATOM 975 N SER A 73 -8.785 7.594 -6.544 1.00 0.00 N ATOM 976 CA SER A 73 -9.045 8.992 -6.833 1.00 0.00 C ATOM 977 C SER A 73 -9.180 9.745 -5.519 1.00 0.00 C ATOM 978 O SER A 73 -10.035 9.413 -4.690 1.00 0.00 O ATOM 979 CB SER A 73 -10.319 9.125 -7.671 1.00 0.00 C ATOM 980 OG SER A 73 -10.523 10.458 -8.092 1.00 0.00 O ATOM 0 H SER A 73 -9.527 7.129 -6.022 1.00 0.00 H new ATOM 0 HA SER A 73 -8.220 9.416 -7.406 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.253 8.473 -8.542 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.177 8.791 -7.087 1.00 0.00 H new ATOM 0 HG SER A 73 -11.441 10.730 -7.884 1.00 0.00 H new ATOM 985 N CYS A 74 -8.336 10.744 -5.317 1.00 0.00 N ATOM 986 CA CYS A 74 -8.355 11.500 -4.078 1.00 0.00 C ATOM 987 C CYS A 74 -8.603 12.978 -4.322 1.00 0.00 C ATOM 988 O CYS A 74 -8.251 13.519 -5.371 1.00 0.00 O ATOM 989 CB CYS A 74 -7.030 11.319 -3.351 1.00 0.00 C ATOM 990 SG CYS A 74 -6.533 9.584 -3.171 1.00 0.00 S ATOM 0 H CYS A 74 -7.634 11.048 -5.991 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.174 11.120 -3.468 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.252 11.857 -3.892 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.103 11.772 -2.362 1.00 0.00 H new ATOM 994 N LYS A 75 -9.234 13.615 -3.350 1.00 0.00 N ATOM 995 CA LYS A 75 -9.527 15.034 -3.416 1.00 0.00 C ATOM 996 C LYS A 75 -8.499 15.817 -2.599 1.00 0.00 C ATOM 997 O LYS A 75 -8.018 15.334 -1.575 1.00 0.00 O ATOM 998 CB LYS A 75 -10.957 15.294 -2.914 1.00 0.00 C ATOM 999 CG LYS A 75 -11.277 16.758 -2.649 1.00 0.00 C ATOM 1000 CD LYS A 75 -11.023 17.119 -1.195 1.00 0.00 C ATOM 1001 CE LYS A 75 -10.943 18.618 -0.987 1.00 0.00 C ATOM 1002 NZ LYS A 75 -10.812 18.957 0.453 1.00 0.00 N ATOM 0 H LYS A 75 -9.557 13.162 -2.495 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.464 15.373 -4.450 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.662 14.909 -3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.114 14.729 -1.995 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.668 17.389 -3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.319 16.957 -2.900 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.821 16.709 -0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.093 16.657 -0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.091 19.018 -1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.836 19.092 -1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.760 19.990 0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.638 18.595 0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.947 18.524 0.834 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.156 17.012 -3.065 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.199 17.839 -2.350 1.00 0.00 C ATOM 1014 C GLY A 76 -6.473 18.800 -3.268 1.00 0.00 C ATOM 1015 O GLY A 76 -6.020 19.860 -2.845 1.00 0.00 O ATOM 0 H GLY A 76 -8.522 17.424 -3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.717 18.402 -1.574 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.472 17.200 -1.849 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.344 18.399 -4.525 1.00 0.00 N ATOM 1020 CA ALA A 77 -5.689 19.208 -5.543 1.00 0.00 C ATOM 1021 C ALA A 77 -6.320 20.590 -5.679 1.00 0.00 C ATOM 1022 O ALA A 77 -5.616 21.585 -5.863 1.00 0.00 O ATOM 1023 CB ALA A 77 -5.719 18.477 -6.872 1.00 0.00 C ATOM 0 H ALA A 77 -6.691 17.503 -4.868 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.656 19.362 -5.232 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.228 19.084 -7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.197 17.525 -6.775 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.753 18.296 -7.164 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.644 20.650 -5.579 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.367 21.915 -5.700 1.00 0.00 C ATOM 1031 C ASP A 78 -9.834 21.709 -5.349 1.00 0.00 C ATOM 1032 O ASP A 78 -10.730 22.073 -6.106 1.00 0.00 O ATOM 1033 CB ASP A 78 -8.238 22.471 -7.126 1.00 0.00 C ATOM 1034 CG ASP A 78 -8.648 23.928 -7.231 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -7.867 24.800 -6.793 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -9.735 24.213 -7.768 1.00 0.00 O ATOM 0 H ASP A 78 -8.240 19.839 -5.415 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.933 22.635 -5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.206 22.364 -7.460 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.854 21.876 -7.800 1.00 0.00 H new ATOM 1040 N GLY A 79 -10.075 21.092 -4.200 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.436 20.819 -3.769 1.00 0.00 C ATOM 1042 C GLY A 79 -12.094 19.740 -4.606 1.00 0.00 C ATOM 1043 O GLY A 79 -13.260 19.405 -4.408 1.00 0.00 O ATOM 0 H GLY A 79 -9.351 20.774 -3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.430 20.512 -2.723 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.025 21.734 -3.830 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.335 19.199 -5.543 1.00 0.00 N ATOM 1048 CA GLN A 80 -11.814 18.155 -6.429 1.00 0.00 C ATOM 1049 C GLN A 80 -10.889 16.953 -6.357 1.00 0.00 C ATOM 1050 O GLN A 80 -9.788 17.042 -5.804 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.888 18.680 -7.864 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.580 19.275 -8.364 1.00 0.00 C ATOM 1053 CD GLN A 80 -10.679 19.768 -9.792 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -11.752 20.155 -10.252 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -9.560 19.770 -10.498 1.00 0.00 N ATOM 0 H GLN A 80 -10.367 19.473 -5.710 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.813 17.851 -6.115 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.183 17.865 -8.525 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.669 19.438 -7.925 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.289 20.102 -7.716 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.793 18.524 -8.295 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.691 19.440 -10.078 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.566 20.101 -11.463 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.341 15.840 -6.907 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.562 14.615 -6.908 1.00 0.00 C ATOM 1064 C TYR A 81 -9.979 14.356 -8.291 1.00 0.00 C ATOM 1065 O TYR A 81 -10.352 15.021 -9.259 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.430 13.433 -6.458 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.668 13.222 -7.302 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.607 12.502 -8.486 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -13.897 13.735 -6.912 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.728 12.299 -9.258 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -15.026 13.537 -7.681 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.937 12.817 -8.853 1.00 0.00 C ATOM 1073 OH TYR A 81 -16.059 12.614 -9.620 1.00 0.00 O ATOM 0 H TYR A 81 -12.250 15.760 -7.362 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.737 14.726 -6.204 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.828 12.524 -6.480 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -11.731 13.590 -5.422 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.661 12.093 -8.808 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -13.971 14.298 -5.993 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.659 11.736 -10.177 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -15.975 13.945 -7.366 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.829 13.044 -9.193 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.077 13.390 -8.381 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.443 13.046 -9.645 1.00 0.00 C ATOM 1084 C HIS A 82 -7.822 11.656 -9.544 1.00 0.00 C ATOM 1085 O HIS A 82 -7.364 11.253 -8.473 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.375 14.084 -10.000 1.00 0.00 C ATOM 1087 CG HIS A 82 -7.292 14.373 -11.466 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -6.205 14.042 -12.242 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -8.175 14.970 -12.297 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -6.422 14.424 -13.486 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -7.612 14.989 -13.550 1.00 0.00 N ATOM 0 H HIS A 82 -8.766 12.828 -7.589 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.194 13.042 -10.435 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.587 15.010 -9.466 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.405 13.730 -9.651 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -9.145 15.360 -12.026 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -5.740 14.296 -14.313 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.043 15.376 -14.390 1.00 0.00 H new ATOM 1099 N ASP A 83 -7.820 10.928 -10.657 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.271 9.573 -10.698 1.00 0.00 C ATOM 1101 C ASP A 83 -5.765 9.585 -10.489 1.00 0.00 C ATOM 1102 O ASP A 83 -5.042 10.342 -11.137 1.00 0.00 O ATOM 1103 CB ASP A 83 -7.600 8.891 -12.032 1.00 0.00 C ATOM 1104 CG ASP A 83 -9.082 8.631 -12.205 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -9.819 9.578 -12.549 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -9.520 7.480 -11.996 1.00 0.00 O ATOM 0 H ASP A 83 -8.194 11.255 -11.548 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.732 9.009 -9.887 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.247 9.516 -12.852 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.060 7.947 -12.096 1.00 0.00 H new ATOM 1110 N SER A 84 -5.297 8.749 -9.579 1.00 0.00 N ATOM 1111 CA SER A 84 -3.882 8.654 -9.273 1.00 0.00 C ATOM 1112 C SER A 84 -3.509 7.213 -8.948 1.00 0.00 C ATOM 1113 O SER A 84 -4.378 6.395 -8.644 1.00 0.00 O ATOM 1114 CB SER A 84 -3.557 9.569 -8.088 1.00 0.00 C ATOM 1115 OG SER A 84 -2.189 9.498 -7.717 1.00 0.00 O ATOM 0 H SER A 84 -5.885 8.119 -9.033 1.00 0.00 H new ATOM 0 HA SER A 84 -3.303 8.970 -10.140 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.809 10.598 -8.345 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.178 9.292 -7.236 1.00 0.00 H new ATOM 0 HG SER A 84 -1.630 9.516 -8.522 1.00 0.00 H new ATOM 1120 N SER A 85 -2.226 6.899 -9.027 1.00 0.00 N ATOM 1121 CA SER A 85 -1.760 5.563 -8.714 1.00 0.00 C ATOM 1122 C SER A 85 -0.549 5.640 -7.800 1.00 0.00 C ATOM 1123 O SER A 85 0.118 6.674 -7.720 1.00 0.00 O ATOM 1124 CB SER A 85 -1.405 4.780 -9.971 1.00 0.00 C ATOM 1125 OG SER A 85 -2.032 5.330 -11.120 1.00 0.00 O ATOM 0 H SER A 85 -1.492 7.551 -9.305 1.00 0.00 H new ATOM 0 HA SER A 85 -2.572 5.038 -8.210 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.324 4.782 -10.109 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.709 3.740 -9.852 1.00 0.00 H new ATOM 0 HG SER A 85 -1.783 4.807 -11.910 1.00 0.00 H new ATOM 1130 N MET A 86 -0.273 4.547 -7.122 1.00 0.00 N ATOM 1131 CA MET A 86 0.835 4.470 -6.196 1.00 0.00 C ATOM 1132 C MET A 86 1.460 3.085 -6.241 1.00 0.00 C ATOM 1133 O MET A 86 0.825 2.107 -5.851 1.00 0.00 O ATOM 1134 CB MET A 86 0.314 4.755 -4.788 1.00 0.00 C ATOM 1135 CG MET A 86 1.379 4.722 -3.710 1.00 0.00 C ATOM 1136 SD MET A 86 2.724 5.862 -4.061 1.00 0.00 S ATOM 1137 CE MET A 86 4.069 4.713 -4.295 1.00 0.00 C ATOM 0 H MET A 86 -0.812 3.685 -7.198 1.00 0.00 H new ATOM 0 HA MET A 86 1.594 5.202 -6.470 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.163 5.735 -4.781 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.457 4.024 -4.544 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.931 4.974 -2.749 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.775 3.710 -3.621 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.959 5.087 -3.790 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.796 3.743 -3.878 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.274 4.605 -5.360 1.00 0.00 H new ATOM 1145 N ASP A 87 2.689 2.991 -6.724 1.00 0.00 N ATOM 1146 CA ASP A 87 3.369 1.707 -6.785 1.00 0.00 C ATOM 1147 C ASP A 87 3.758 1.275 -5.381 1.00 0.00 C ATOM 1148 O ASP A 87 4.720 1.777 -4.801 1.00 0.00 O ATOM 1149 CB ASP A 87 4.606 1.783 -7.685 1.00 0.00 C ATOM 1150 CG ASP A 87 4.263 1.779 -9.165 1.00 0.00 C ATOM 1151 OD1 ASP A 87 3.063 1.809 -9.507 1.00 0.00 O ATOM 1152 OD2 ASP A 87 5.197 1.735 -9.995 1.00 0.00 O ATOM 0 H ASP A 87 3.231 3.780 -7.076 1.00 0.00 H new ATOM 0 HA ASP A 87 2.691 0.970 -7.215 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.165 2.689 -7.449 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.260 0.939 -7.467 1.00 0.00 H new ATOM 1156 N LEU A 88 3.020 0.312 -4.854 1.00 0.00 N ATOM 1157 CA LEU A 88 3.246 -0.187 -3.503 1.00 0.00 C ATOM 1158 C LEU A 88 4.499 -1.036 -3.453 1.00 0.00 C ATOM 1159 O LEU A 88 4.950 -1.433 -2.378 1.00 0.00 O ATOM 1160 CB LEU A 88 2.051 -1.009 -3.029 1.00 0.00 C ATOM 1161 CG LEU A 88 0.674 -0.420 -3.350 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.423 -1.316 -2.798 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.548 0.988 -2.783 1.00 0.00 C ATOM 0 H LEU A 88 2.252 -0.145 -5.345 1.00 0.00 H new ATOM 0 HA LEU A 88 3.372 0.671 -2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.115 -2.001 -3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.128 -1.140 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 88 0.566 -0.363 -4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.397 -0.886 -3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.345 -2.306 -3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.315 -1.400 -1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.437 1.389 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.675 0.957 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.316 1.626 -3.220 1.00 0.00 H new ATOM 1174 N ASN A 89 5.037 -1.327 -4.626 1.00 0.00 N ATOM 1175 CA ASN A 89 6.253 -2.121 -4.753 1.00 0.00 C ATOM 1176 C ASN A 89 7.356 -1.617 -3.824 1.00 0.00 C ATOM 1177 O ASN A 89 8.205 -2.392 -3.384 1.00 0.00 O ATOM 1178 CB ASN A 89 6.749 -2.105 -6.198 1.00 0.00 C ATOM 1179 CG ASN A 89 5.892 -2.946 -7.124 1.00 0.00 C ATOM 1180 OD1 ASN A 89 4.910 -2.468 -7.686 1.00 0.00 O ATOM 1181 ND2 ASN A 89 6.272 -4.204 -7.295 1.00 0.00 N ATOM 0 H ASN A 89 4.646 -1.021 -5.517 1.00 0.00 H new ATOM 0 HA ASN A 89 6.008 -3.143 -4.464 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.766 -1.077 -6.560 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.775 -2.471 -6.229 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.742 -4.817 -7.914 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.095 -4.559 -6.808 1.00 0.00 H new ATOM 1187 N TYR A 90 7.336 -0.326 -3.509 1.00 0.00 N ATOM 1188 CA TYR A 90 8.337 0.245 -2.629 1.00 0.00 C ATOM 1189 C TYR A 90 7.698 0.905 -1.412 1.00 0.00 C ATOM 1190 O TYR A 90 8.262 1.834 -0.832 1.00 0.00 O ATOM 1191 CB TYR A 90 9.243 1.229 -3.383 1.00 0.00 C ATOM 1192 CG TYR A 90 8.521 2.315 -4.157 1.00 0.00 C ATOM 1193 CD1 TYR A 90 8.118 2.109 -5.471 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.274 3.557 -3.584 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.487 3.106 -6.190 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.639 4.558 -4.296 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.250 4.327 -5.600 1.00 0.00 C ATOM 1198 OH TYR A 90 6.619 5.323 -6.317 1.00 0.00 O ATOM 0 H TYR A 90 6.640 0.337 -3.850 1.00 0.00 H new ATOM 0 HA TYR A 90 8.961 -0.572 -2.269 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.913 1.702 -2.666 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.866 0.665 -4.077 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.301 1.153 -5.938 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.583 3.743 -2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.181 2.928 -7.210 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.448 5.516 -3.834 1.00 0.00 H new ATOM 0 HH TYR A 90 6.527 6.121 -5.756 1.00 0.00 H new ATOM 1207 N VAL A 91 6.506 0.443 -1.043 1.00 0.00 N ATOM 1208 CA VAL A 91 5.823 0.978 0.132 1.00 0.00 C ATOM 1209 C VAL A 91 5.359 -0.154 1.050 1.00 0.00 C ATOM 1210 O VAL A 91 4.999 0.073 2.205 1.00 0.00 O ATOM 1211 CB VAL A 91 4.637 1.914 -0.220 1.00 0.00 C ATOM 1212 CG1 VAL A 91 4.963 2.779 -1.403 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.342 1.179 -0.459 1.00 0.00 C ATOM 0 H VAL A 91 5.998 -0.292 -1.534 1.00 0.00 H new ATOM 0 HA VAL A 91 6.555 1.591 0.658 1.00 0.00 H new ATOM 0 HB VAL A 91 4.487 2.542 0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.114 3.424 -1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.835 3.392 -1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.177 2.149 -2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.556 1.895 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.466 0.483 -1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.066 0.626 0.439 1.00 0.00 H new ATOM 1223 N VAL A 92 5.382 -1.380 0.529 1.00 0.00 N ATOM 1224 CA VAL A 92 4.982 -2.552 1.296 1.00 0.00 C ATOM 1225 C VAL A 92 5.647 -3.811 0.738 1.00 0.00 C ATOM 1226 O VAL A 92 5.744 -3.988 -0.481 1.00 0.00 O ATOM 1227 CB VAL A 92 3.441 -2.722 1.316 1.00 0.00 C ATOM 1228 CG1 VAL A 92 2.875 -2.806 -0.088 1.00 0.00 C ATOM 1229 CG2 VAL A 92 3.035 -3.939 2.136 1.00 0.00 C ATOM 0 H VAL A 92 5.675 -1.585 -0.426 1.00 0.00 H new ATOM 0 HA VAL A 92 5.315 -2.402 2.323 1.00 0.00 H new ATOM 0 HB VAL A 92 3.020 -1.836 1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.793 -2.925 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.115 -1.892 -0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.310 -3.661 -0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.949 -4.034 2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.479 -4.835 1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.386 -3.821 3.161 1.00 0.00 H new ATOM 1239 N GLY A 93 6.145 -4.661 1.627 1.00 0.00 N ATOM 1240 CA GLY A 93 6.792 -5.885 1.197 1.00 0.00 C ATOM 1241 C GLY A 93 6.313 -7.111 1.938 1.00 0.00 C ATOM 1242 O GLY A 93 5.372 -7.044 2.732 1.00 0.00 O ATOM 0 H GLY A 93 6.112 -4.525 2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.618 -6.024 0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.869 -5.785 1.334 1.00 0.00 H new ATOM 1246 N ASN A 94 6.973 -8.226 1.669 1.00 0.00 N ATOM 1247 CA ASN A 94 6.642 -9.500 2.291 1.00 0.00 C ATOM 1248 C ASN A 94 7.859 -10.080 2.992 1.00 0.00 C ATOM 1249 O ASN A 94 8.958 -10.099 2.437 1.00 0.00 O ATOM 1250 CB ASN A 94 6.146 -10.494 1.238 1.00 0.00 C ATOM 1251 CG ASN A 94 5.984 -11.905 1.782 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.598 -12.110 2.933 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.302 -12.889 0.957 1.00 0.00 N ATOM 0 H ASN A 94 7.753 -8.274 1.014 1.00 0.00 H new ATOM 0 HA ASN A 94 5.854 -9.325 3.023 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.189 -10.150 0.844 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.847 -10.511 0.403 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.231 -13.858 1.268 1.00 0.00 H new ATOM 0 HD22 ASN A 94 6.618 -12.679 0.010 1.00 0.00 H new ATOM 1259 N SER A 95 7.660 -10.532 4.213 1.00 0.00 N ATOM 1260 CA SER A 95 8.717 -11.136 4.990 1.00 0.00 C ATOM 1261 C SER A 95 8.200 -12.371 5.709 1.00 0.00 C ATOM 1262 O SER A 95 7.457 -12.262 6.687 1.00 0.00 O ATOM 1263 CB SER A 95 9.263 -10.136 5.994 1.00 0.00 C ATOM 1264 OG SER A 95 9.916 -9.063 5.336 1.00 0.00 O ATOM 0 H SER A 95 6.761 -10.490 4.692 1.00 0.00 H new ATOM 0 HA SER A 95 9.521 -11.434 4.317 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.449 -9.750 6.608 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.961 -10.634 6.667 1.00 0.00 H new ATOM 0 HG SER A 95 10.394 -8.517 5.995 1.00 0.00 H new ATOM 1269 N TYR A 96 8.573 -13.539 5.196 1.00 0.00 N ATOM 1270 CA TYR A 96 8.165 -14.810 5.779 1.00 0.00 C ATOM 1271 C TYR A 96 6.643 -14.947 5.778 1.00 0.00 C ATOM 1272 O TYR A 96 6.039 -15.354 6.771 1.00 0.00 O ATOM 1273 CB TYR A 96 8.727 -14.954 7.196 1.00 0.00 C ATOM 1274 CG TYR A 96 10.231 -15.134 7.238 1.00 0.00 C ATOM 1275 CD1 TYR A 96 11.088 -14.037 7.265 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.796 -16.401 7.250 1.00 0.00 C ATOM 1277 CE1 TYR A 96 12.461 -14.202 7.302 1.00 0.00 C ATOM 1278 CE2 TYR A 96 12.166 -16.574 7.287 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.993 -15.474 7.313 1.00 0.00 C ATOM 1280 OH TYR A 96 14.359 -15.648 7.350 1.00 0.00 O ATOM 0 H TYR A 96 9.163 -13.630 4.369 1.00 0.00 H new ATOM 0 HA TYR A 96 8.572 -15.614 5.166 1.00 0.00 H new ATOM 0 HB2 TYR A 96 8.459 -14.070 7.775 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.254 -15.808 7.680 1.00 0.00 H new ATOM 0 HD1 TYR A 96 10.674 -13.040 7.257 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.153 -17.268 7.230 1.00 0.00 H new ATOM 0 HE1 TYR A 96 13.112 -13.340 7.322 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.587 -17.569 7.295 1.00 0.00 H new ATOM 0 HH TYR A 96 14.567 -16.606 7.354 1.00 0.00 H new ATOM 1289 N GLY A 97 6.035 -14.615 4.643 1.00 0.00 N ATOM 1290 CA GLY A 97 4.594 -14.702 4.503 1.00 0.00 C ATOM 1291 C GLY A 97 3.848 -13.712 5.371 1.00 0.00 C ATOM 1292 O GLY A 97 2.661 -13.898 5.647 1.00 0.00 O ATOM 0 H GLY A 97 6.522 -14.284 3.810 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.326 -14.534 3.460 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.272 -15.712 4.756 1.00 0.00 H new ATOM 1296 N TYR A 98 4.525 -12.661 5.803 1.00 0.00 N ATOM 1297 CA TYR A 98 3.898 -11.661 6.647 1.00 0.00 C ATOM 1298 C TYR A 98 4.106 -10.276 6.050 1.00 0.00 C ATOM 1299 O TYR A 98 5.143 -10.001 5.440 1.00 0.00 O ATOM 1300 CB TYR A 98 4.479 -11.725 8.059 1.00 0.00 C ATOM 1301 CG TYR A 98 3.481 -11.396 9.152 1.00 0.00 C ATOM 1302 CD1 TYR A 98 2.936 -10.122 9.271 1.00 0.00 C ATOM 1303 CD2 TYR A 98 3.081 -12.366 10.064 1.00 0.00 C ATOM 1304 CE1 TYR A 98 2.026 -9.825 10.269 1.00 0.00 C ATOM 1305 CE2 TYR A 98 2.172 -12.075 11.064 1.00 0.00 C ATOM 1306 CZ TYR A 98 1.649 -10.805 11.163 1.00 0.00 C ATOM 1307 OH TYR A 98 0.746 -10.511 12.162 1.00 0.00 O ATOM 0 H TYR A 98 5.504 -12.480 5.584 1.00 0.00 H new ATOM 0 HA TYR A 98 2.828 -11.862 6.703 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.876 -12.725 8.233 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.318 -11.033 8.127 1.00 0.00 H new ATOM 0 HD1 TYR A 98 3.228 -9.352 8.572 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.487 -13.364 9.990 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.613 -8.830 10.348 1.00 0.00 H new ATOM 0 HE2 TYR A 98 1.873 -12.841 11.765 1.00 0.00 H new ATOM 0 HH TYR A 98 0.587 -11.311 12.705 1.00 0.00 H new ATOM 1316 N MET A 99 3.103 -9.425 6.219 1.00 0.00 N ATOM 1317 CA MET A 99 3.141 -8.061 5.706 1.00 0.00 C ATOM 1318 C MET A 99 4.240 -7.233 6.366 1.00 0.00 C ATOM 1319 O MET A 99 4.368 -7.202 7.592 1.00 0.00 O ATOM 1320 CB MET A 99 1.795 -7.363 5.924 1.00 0.00 C ATOM 1321 CG MET A 99 1.423 -7.206 7.390 1.00 0.00 C ATOM 1322 SD MET A 99 0.182 -5.932 7.670 1.00 0.00 S ATOM 1323 CE MET A 99 0.022 -6.008 9.452 1.00 0.00 C ATOM 0 H MET A 99 2.242 -9.659 6.714 1.00 0.00 H new ATOM 0 HA MET A 99 3.354 -8.133 4.639 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.826 -6.378 5.458 1.00 0.00 H new ATOM 0 HB3 MET A 99 1.014 -7.931 5.418 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.050 -8.158 7.768 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.319 -6.965 7.962 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.714 -5.275 9.783 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.302 -7.006 9.746 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.985 -5.789 9.913 1.00 0.00 H new ATOM 1331 N GLU A 100 5.026 -6.568 5.537 1.00 0.00 N ATOM 1332 CA GLU A 100 6.100 -5.701 6.003 1.00 0.00 C ATOM 1333 C GLU A 100 6.164 -4.453 5.132 1.00 0.00 C ATOM 1334 O GLU A 100 7.000 -4.349 4.237 1.00 0.00 O ATOM 1335 CB GLU A 100 7.442 -6.431 5.984 1.00 0.00 C ATOM 1336 CG GLU A 100 7.678 -7.303 7.206 1.00 0.00 C ATOM 1337 CD GLU A 100 8.072 -6.501 8.430 1.00 0.00 C ATOM 1338 OE1 GLU A 100 7.184 -5.896 9.072 1.00 0.00 O ATOM 1339 OE2 GLU A 100 9.278 -6.474 8.761 1.00 0.00 O ATOM 0 H GLU A 100 4.940 -6.612 4.522 1.00 0.00 H new ATOM 0 HA GLU A 100 5.891 -5.412 7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.496 -7.051 5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.244 -5.697 5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.772 -7.869 7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.461 -8.028 6.984 1.00 0.00 H new ATOM 1344 N PRO A 101 5.253 -3.501 5.365 1.00 0.00 N ATOM 1345 CA PRO A 101 5.196 -2.257 4.596 1.00 0.00 C ATOM 1346 C PRO A 101 6.386 -1.341 4.868 1.00 0.00 C ATOM 1347 O PRO A 101 6.410 -0.591 5.847 1.00 0.00 O ATOM 1348 CB PRO A 101 3.894 -1.604 5.053 1.00 0.00 C ATOM 1349 CG PRO A 101 3.620 -2.179 6.399 1.00 0.00 C ATOM 1350 CD PRO A 101 4.205 -3.564 6.398 1.00 0.00 C ATOM 0 HA PRO A 101 5.233 -2.447 3.523 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.993 -0.520 5.101 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.081 -1.820 4.360 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.071 -1.568 7.181 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.549 -2.210 6.597 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.619 -3.824 7.372 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.453 -4.316 6.160 1.00 0.00 H new ATOM 1355 N CYS A 102 7.373 -1.416 3.995 1.00 0.00 N ATOM 1356 CA CYS A 102 8.558 -0.592 4.119 1.00 0.00 C ATOM 1357 C CYS A 102 8.656 0.338 2.920 1.00 0.00 C ATOM 1358 O CYS A 102 8.451 -0.084 1.782 1.00 0.00 O ATOM 1359 CB CYS A 102 9.826 -1.454 4.223 1.00 0.00 C ATOM 1360 SG CYS A 102 10.492 -2.035 2.624 1.00 0.00 S ATOM 0 H CYS A 102 7.376 -2.042 3.190 1.00 0.00 H new ATOM 0 HA CYS A 102 8.477 -0.004 5.034 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.598 -0.879 4.735 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.608 -2.321 4.846 1.00 0.00 H new ATOM 1364 N ARG A 103 8.925 1.605 3.170 1.00 0.00 N ATOM 1365 CA ARG A 103 9.056 2.557 2.082 1.00 0.00 C ATOM 1366 C ARG A 103 10.511 2.624 1.641 1.00 0.00 C ATOM 1367 O ARG A 103 11.420 2.615 2.469 1.00 0.00 O ATOM 1368 CB ARG A 103 8.554 3.956 2.478 1.00 0.00 C ATOM 1369 CG ARG A 103 9.537 4.778 3.305 1.00 0.00 C ATOM 1370 CD ARG A 103 9.780 4.168 4.673 1.00 0.00 C ATOM 1371 NE ARG A 103 10.624 5.013 5.514 1.00 0.00 N ATOM 1372 CZ ARG A 103 10.604 4.992 6.846 1.00 0.00 C ATOM 1373 NH1 ARG A 103 9.798 4.152 7.486 1.00 0.00 N ATOM 1374 NH2 ARG A 103 11.398 5.803 7.530 1.00 0.00 N ATOM 0 H ARG A 103 9.056 1.996 4.103 1.00 0.00 H new ATOM 0 HA ARG A 103 8.434 2.214 1.255 1.00 0.00 H new ATOM 0 HB2 ARG A 103 8.312 4.510 1.571 1.00 0.00 H new ATOM 0 HB3 ARG A 103 7.628 3.848 3.042 1.00 0.00 H new ATOM 0 HG2 ARG A 103 10.483 4.857 2.770 1.00 0.00 H new ATOM 0 HG3 ARG A 103 9.153 5.791 3.423 1.00 0.00 H new ATOM 0 HD2 ARG A 103 8.824 4.004 5.170 1.00 0.00 H new ATOM 0 HD3 ARG A 103 10.250 3.192 4.555 1.00 0.00 H new ATOM 0 HE ARG A 103 11.267 5.658 5.054 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.194 3.523 6.958 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.783 4.137 8.506 1.00 0.00 H new ATOM 0 HH21 ARG A 103 12.022 6.441 7.037 1.00 0.00 H new ATOM 0 HH22 ARG A 103 11.385 5.789 8.550 1.00 0.00 H new ATOM 1385 N ALA A 104 10.732 2.668 0.346 1.00 0.00 N ATOM 1386 CA ALA A 104 12.083 2.739 -0.180 1.00 0.00 C ATOM 1387 C ALA A 104 12.355 4.107 -0.778 1.00 0.00 C ATOM 1388 O ALA A 104 13.166 4.253 -1.693 1.00 0.00 O ATOM 1389 CB ALA A 104 12.295 1.665 -1.227 1.00 0.00 C ATOM 0 H ALA A 104 9.999 2.656 -0.363 1.00 0.00 H new ATOM 0 HA ALA A 104 12.779 2.576 0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.312 1.729 -1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.138 0.684 -0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.587 1.808 -2.043 1.00 0.00 H new ATOM 1395 N SER A 105 11.672 5.111 -0.258 1.00 0.00 N ATOM 1396 CA SER A 105 11.820 6.464 -0.761 1.00 0.00 C ATOM 1397 C SER A 105 11.511 7.497 0.310 1.00 0.00 C ATOM 1398 O SER A 105 12.415 8.099 0.888 1.00 0.00 O ATOM 1399 CB SER A 105 10.912 6.654 -1.978 1.00 0.00 C ATOM 1400 OG SER A 105 11.302 5.806 -3.046 1.00 0.00 O ATOM 0 H SER A 105 11.010 5.015 0.512 1.00 0.00 H new ATOM 0 HA SER A 105 12.858 6.613 -1.057 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.879 6.443 -1.701 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.949 7.694 -2.304 1.00 0.00 H new ATOM 0 HG SER A 105 10.705 5.946 -3.810 1.00 0.00 H new ATOM 1405 N ASN A 106 10.228 7.669 0.570 1.00 0.00 N ATOM 1406 CA ASN A 106 9.737 8.631 1.565 1.00 0.00 C ATOM 1407 C ASN A 106 10.081 10.061 1.152 1.00 0.00 C ATOM 1408 O ASN A 106 11.189 10.546 1.382 1.00 0.00 O ATOM 1409 CB ASN A 106 10.310 8.317 2.952 1.00 0.00 C ATOM 1410 CG ASN A 106 9.916 9.323 4.024 1.00 0.00 C ATOM 1411 OD1 ASN A 106 10.700 9.614 4.927 1.00 0.00 O ATOM 1412 ND2 ASN A 106 8.696 9.835 3.958 1.00 0.00 N ATOM 0 H ASN A 106 9.487 7.148 0.101 1.00 0.00 H new ATOM 0 HA ASN A 106 8.652 8.542 1.615 1.00 0.00 H new ATOM 0 HB2 ASN A 106 9.975 7.326 3.257 1.00 0.00 H new ATOM 0 HB3 ASN A 106 11.397 8.279 2.885 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.380 10.493 4.670 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.073 9.571 3.195 1.00 0.00 H new ATOM 1418 N ALA A 107 9.114 10.725 0.546 1.00 0.00 N ATOM 1419 CA ALA A 107 9.297 12.092 0.075 1.00 0.00 C ATOM 1420 C ALA A 107 9.270 13.096 1.223 1.00 0.00 C ATOM 1421 O ALA A 107 10.234 13.833 1.437 1.00 0.00 O ATOM 1422 CB ALA A 107 8.239 12.437 -0.961 1.00 0.00 C ATOM 0 H ALA A 107 8.187 10.340 0.366 1.00 0.00 H new ATOM 0 HA ALA A 107 10.282 12.154 -0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 107 8.387 13.461 -1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.322 11.755 -1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 107 7.249 12.343 -0.515 1.00 0.00 H new ATOM 1428 N ASP A 108 8.169 13.115 1.961 1.00 0.00 N ATOM 1429 CA ASP A 108 8.011 14.041 3.081 1.00 0.00 C ATOM 1430 C ASP A 108 8.917 13.643 4.246 1.00 0.00 C ATOM 1431 O ASP A 108 8.937 12.490 4.667 1.00 0.00 O ATOM 1432 CB ASP A 108 6.554 14.080 3.534 1.00 0.00 C ATOM 1433 CG ASP A 108 6.275 15.266 4.427 1.00 0.00 C ATOM 1434 OD1 ASP A 108 5.979 16.356 3.895 1.00 0.00 O ATOM 1435 OD2 ASP A 108 6.363 15.125 5.660 1.00 0.00 O ATOM 0 H ASP A 108 7.370 12.500 1.807 1.00 0.00 H new ATOM 0 HA ASP A 108 8.302 15.036 2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 108 5.903 14.122 2.661 1.00 0.00 H new ATOM 0 HB3 ASP A 108 6.314 13.160 4.067 1.00 0.00 H new ATOM 1439 N HIS A 109 9.659 14.620 4.753 1.00 0.00 N ATOM 1440 CA HIS A 109 10.608 14.401 5.843 1.00 0.00 C ATOM 1441 C HIS A 109 9.928 14.313 7.211 1.00 0.00 C ATOM 1442 O HIS A 109 10.169 13.371 7.967 1.00 0.00 O ATOM 1443 CB HIS A 109 11.649 15.527 5.844 1.00 0.00 C ATOM 1444 CG HIS A 109 12.687 15.410 6.921 1.00 0.00 C ATOM 1445 ND1 HIS A 109 13.053 16.470 7.723 1.00 0.00 N ATOM 1446 CD2 HIS A 109 13.444 14.362 7.319 1.00 0.00 C ATOM 1447 CE1 HIS A 109 13.988 16.079 8.568 1.00 0.00 C ATOM 1448 NE2 HIS A 109 14.245 14.806 8.342 1.00 0.00 N ATOM 0 H HIS A 109 9.622 15.584 4.423 1.00 0.00 H new ATOM 0 HA HIS A 109 11.091 13.439 5.670 1.00 0.00 H new ATOM 0 HB2 HIS A 109 12.148 15.545 4.875 1.00 0.00 H new ATOM 0 HB3 HIS A 109 11.134 16.481 5.955 1.00 0.00 H new ATOM 0 HD2 HIS A 109 13.422 13.363 6.909 1.00 0.00 H new ATOM 0 HE1 HIS A 109 14.462 16.696 9.317 1.00 0.00 H new ATOM 0 HE2 HIS A 109 14.929 14.242 8.846 1.00 0.00 H new ATOM 1456 N VAL A 110 9.102 15.294 7.541 1.00 0.00 N ATOM 1457 CA VAL A 110 8.428 15.301 8.838 1.00 0.00 C ATOM 1458 C VAL A 110 7.063 14.632 8.727 1.00 0.00 C ATOM 1459 O VAL A 110 6.013 15.253 8.929 1.00 0.00 O ATOM 1460 CB VAL A 110 8.275 16.732 9.404 1.00 0.00 C ATOM 1461 CG1 VAL A 110 7.824 16.691 10.857 1.00 0.00 C ATOM 1462 CG2 VAL A 110 9.580 17.503 9.270 1.00 0.00 C ATOM 0 H VAL A 110 8.882 16.088 6.940 1.00 0.00 H new ATOM 0 HA VAL A 110 9.052 14.738 9.533 1.00 0.00 H new ATOM 0 HB VAL A 110 7.510 17.248 8.824 1.00 0.00 H new ATOM 0 HG11 VAL A 110 7.723 17.708 11.235 1.00 0.00 H new ATOM 0 HG12 VAL A 110 6.863 16.181 10.925 1.00 0.00 H new ATOM 0 HG13 VAL A 110 8.563 16.154 11.452 1.00 0.00 H new ATOM 0 HG21 VAL A 110 9.452 18.507 9.674 1.00 0.00 H new ATOM 0 HG22 VAL A 110 10.366 16.987 9.822 1.00 0.00 H new ATOM 0 HG23 VAL A 110 9.858 17.567 8.218 1.00 0.00 H new ATOM 1472 N LEU A 111 7.097 13.352 8.409 1.00 0.00 N ATOM 1473 CA LEU A 111 5.885 12.570 8.250 1.00 0.00 C ATOM 1474 C LEU A 111 5.704 11.616 9.425 1.00 0.00 C ATOM 1475 O LEU A 111 6.002 10.425 9.329 1.00 0.00 O ATOM 1476 CB LEU A 111 5.934 11.788 6.938 1.00 0.00 C ATOM 1477 CG LEU A 111 4.642 11.064 6.559 1.00 0.00 C ATOM 1478 CD1 LEU A 111 3.519 12.058 6.304 1.00 0.00 C ATOM 1479 CD2 LEU A 111 4.872 10.190 5.339 1.00 0.00 C ATOM 0 H LEU A 111 7.958 12.828 8.255 1.00 0.00 H new ATOM 0 HA LEU A 111 5.034 13.251 8.225 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.195 12.476 6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.737 11.054 7.002 1.00 0.00 H new ATOM 0 HG LEU A 111 4.344 10.428 7.393 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.610 11.519 6.036 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.341 12.645 7.205 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.800 12.723 5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.945 9.679 5.078 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.193 10.810 4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 111 5.643 9.452 5.560 1.00 0.00 H new ATOM 1490 N LYS A 112 5.235 12.152 10.537 1.00 0.00 N ATOM 1491 CA LYS A 112 5.002 11.355 11.729 1.00 0.00 C ATOM 1492 C LYS A 112 3.812 11.916 12.487 1.00 0.00 C ATOM 1493 O LYS A 112 3.966 12.746 13.385 1.00 0.00 O ATOM 1494 CB LYS A 112 6.242 11.344 12.631 1.00 0.00 C ATOM 1495 CG LYS A 112 6.144 10.372 13.797 1.00 0.00 C ATOM 1496 CD LYS A 112 7.331 10.513 14.735 1.00 0.00 C ATOM 1497 CE LYS A 112 7.243 9.549 15.908 1.00 0.00 C ATOM 1498 NZ LYS A 112 7.409 8.131 15.485 1.00 0.00 N ATOM 0 H LYS A 112 5.007 13.141 10.640 1.00 0.00 H new ATOM 0 HA LYS A 112 4.793 10.328 11.428 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.115 11.089 12.030 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.406 12.349 13.020 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.220 10.552 14.347 1.00 0.00 H new ATOM 0 HG3 LYS A 112 6.096 9.351 13.419 1.00 0.00 H new ATOM 0 HD2 LYS A 112 8.253 10.331 14.184 1.00 0.00 H new ATOM 0 HD3 LYS A 112 7.380 11.536 15.108 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.010 9.800 16.641 1.00 0.00 H new ATOM 0 HE3 LYS A 112 6.279 9.668 16.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.461 7.522 16.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 6.598 7.846 14.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.285 8.034 14.933 1.00 0.00 H new ATOM 1508 N SER A 113 2.626 11.475 12.114 1.00 0.00 N ATOM 1509 CA SER A 113 1.397 11.933 12.755 1.00 0.00 C ATOM 1510 C SER A 113 1.181 11.211 14.088 1.00 0.00 C ATOM 1511 O SER A 113 0.064 10.825 14.431 1.00 0.00 O ATOM 1512 CB SER A 113 0.212 11.683 11.824 1.00 0.00 C ATOM 1513 OG SER A 113 0.588 11.871 10.467 1.00 0.00 O ATOM 0 H SER A 113 2.482 10.796 11.367 1.00 0.00 H new ATOM 0 HA SER A 113 1.481 13.001 12.955 1.00 0.00 H new ATOM 0 HB2 SER A 113 -0.160 10.668 11.966 1.00 0.00 H new ATOM 0 HB3 SER A 113 -0.604 12.360 12.077 1.00 0.00 H new ATOM 0 HG SER A 113 0.547 11.013 9.994 1.00 0.00 H new ATOM 1518 N SER A 114 2.262 11.039 14.835 1.00 0.00 N ATOM 1519 CA SER A 114 2.215 10.365 16.117 1.00 0.00 C ATOM 1520 C SER A 114 2.518 11.338 17.251 1.00 0.00 C ATOM 1521 O SER A 114 3.588 11.284 17.859 1.00 0.00 O ATOM 1522 CB SER A 114 3.221 9.213 16.132 1.00 0.00 C ATOM 1523 OG SER A 114 2.937 8.272 15.111 1.00 0.00 O ATOM 0 H SER A 114 3.192 11.363 14.568 1.00 0.00 H new ATOM 0 HA SER A 114 1.210 9.969 16.265 1.00 0.00 H new ATOM 0 HB2 SER A 114 4.229 9.605 15.999 1.00 0.00 H new ATOM 0 HB3 SER A 114 3.197 8.718 17.103 1.00 0.00 H new ATOM 0 HG SER A 114 3.596 7.547 15.142 1.00 0.00 H new ATOM 1528 N SER A 115 1.583 12.233 17.521 1.00 0.00 N ATOM 1529 CA SER A 115 1.752 13.205 18.587 1.00 0.00 C ATOM 1530 C SER A 115 1.486 12.542 19.931 1.00 0.00 C ATOM 1531 O SER A 115 2.264 12.682 20.880 1.00 0.00 O ATOM 1532 CB SER A 115 0.801 14.381 18.373 1.00 0.00 C ATOM 1533 OG SER A 115 0.964 14.929 17.073 1.00 0.00 O ATOM 0 H SER A 115 0.699 12.307 17.017 1.00 0.00 H new ATOM 0 HA SER A 115 2.775 13.580 18.577 1.00 0.00 H new ATOM 0 HB2 SER A 115 -0.229 14.051 18.507 1.00 0.00 H new ATOM 0 HB3 SER A 115 0.990 15.149 19.123 1.00 0.00 H new ATOM 0 HG SER A 115 0.345 15.680 16.955 1.00 0.00 H new ATOM 1538 N GLU A 116 0.394 11.799 19.995 1.00 0.00 N ATOM 1539 CA GLU A 116 0.014 11.099 21.198 1.00 0.00 C ATOM 1540 C GLU A 116 -0.113 9.607 20.906 1.00 0.00 C ATOM 1541 O GLU A 116 0.788 8.839 21.302 1.00 0.00 O ATOM 1542 CB GLU A 116 -1.305 11.654 21.735 1.00 0.00 C ATOM 1543 CG GLU A 116 -1.686 11.102 23.093 1.00 0.00 C ATOM 1544 CD GLU A 116 -3.034 11.596 23.564 1.00 0.00 C ATOM 1545 OE1 GLU A 116 -3.130 12.764 23.992 1.00 0.00 O ATOM 1546 OE2 GLU A 116 -4.009 10.819 23.506 1.00 0.00 O ATOM 0 H GLU A 116 -0.249 11.668 19.214 1.00 0.00 H new ATOM 0 HA GLU A 116 0.783 11.245 21.957 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -1.233 12.740 21.800 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -2.100 11.429 21.024 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -1.698 10.013 23.048 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -0.925 11.383 23.822 1.00 0.00 H new TER 1551 GLU A 116