USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 779 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 91 THR OG1 : rot 140:sc= 0.39! USER MOD Set 1.2: A 93 ASN : amide:sc= -1.28 X(o=-0.89,f=-1.4) USER MOD Set 2.1: A 17 THR OG1 : rot -123:sc= -0.269! USER MOD Set 2.2: A 20 SER OG : rot 61:sc= 1.38 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 14:sc= 0.588 USER MOD Single : A 12 CYS SG : rot 60:sc= -7.9! USER MOD Single : A 13 HIS : no HD1:sc= -2.9! K(o=-2.9!,f=-1.2) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-0.32) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 79:sc= 1.04 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 60:sc= 0.556 USER MOD Single : A 30 SER OG : rot 140:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.795 K(o=-0.8,f=-0.0071) USER MOD Single : A 37 LYS NZ :NH3+ -126:sc= 0.262 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0513 K(o=-0.051,f=-1.4!) USER MOD Single : A 45 TYR OH : rot 30:sc= -0.385 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0429 USER MOD Single : A 58 SER OG : rot 87:sc= 1.12 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 65 GLN : amide:sc=-0.00646 X(o=-0.0065,f=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= 0.059 (180deg=0.0528) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.176 USER MOD Single : A 84 TYR OH : rot -30:sc= -0.224 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.137 K(o=-0.14,f=-2!) USER MOD Single : A 99 SER OG : rot 180:sc= -0.0651 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.857 -10.530 -17.427 1.00 0.00 N ATOM 2 CA GLY A 1 -6.180 -11.427 -18.348 1.00 0.00 C ATOM 3 C GLY A 1 -6.330 -12.883 -17.905 1.00 0.00 C ATOM 4 O GLY A 1 -5.786 -13.281 -16.876 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.740 -9.548 -17.750 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.869 -10.766 -17.394 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.446 -10.633 -16.477 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.591 -11.304 -19.350 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.123 -11.167 -18.403 1.00 0.00 H new ATOM 8 N SER A 2 -7.069 -13.639 -18.704 1.00 0.00 N ATOM 9 CA SER A 2 -7.297 -15.043 -18.406 1.00 0.00 C ATOM 10 C SER A 2 -8.051 -15.181 -17.082 1.00 0.00 C ATOM 11 O SER A 2 -7.481 -14.964 -16.014 1.00 0.00 O ATOM 12 CB SER A 2 -5.978 -15.815 -18.349 1.00 0.00 C ATOM 13 OG SER A 2 -5.289 -15.789 -19.597 1.00 0.00 O ATOM 0 H SER A 2 -7.518 -13.306 -19.557 1.00 0.00 H new ATOM 0 HA SER A 2 -7.901 -15.469 -19.207 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.341 -15.388 -17.574 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.175 -16.849 -18.065 1.00 0.00 H new ATOM 0 HG SER A 2 -4.451 -16.291 -19.519 1.00 0.00 H new ATOM 19 N SER A 3 -9.321 -15.543 -17.196 1.00 0.00 N ATOM 20 CA SER A 3 -10.158 -15.713 -16.021 1.00 0.00 C ATOM 21 C SER A 3 -10.850 -17.077 -16.065 1.00 0.00 C ATOM 22 O SER A 3 -10.998 -17.668 -17.133 1.00 0.00 O ATOM 23 CB SER A 3 -11.197 -14.594 -15.918 1.00 0.00 C ATOM 24 OG SER A 3 -11.285 -14.068 -14.596 1.00 0.00 O ATOM 0 H SER A 3 -9.790 -15.723 -18.084 1.00 0.00 H new ATOM 0 HA SER A 3 -9.522 -15.663 -15.137 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.937 -13.793 -16.610 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.172 -14.975 -16.222 1.00 0.00 H new ATOM 0 HG SER A 3 -11.957 -13.355 -14.572 1.00 0.00 H new ATOM 30 N GLY A 4 -11.257 -17.537 -14.891 1.00 0.00 N ATOM 31 CA GLY A 4 -11.930 -18.820 -14.782 1.00 0.00 C ATOM 32 C GLY A 4 -11.294 -19.682 -13.689 1.00 0.00 C ATOM 33 O GLY A 4 -10.532 -19.181 -12.863 1.00 0.00 O ATOM 0 H GLY A 4 -11.134 -17.044 -14.007 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.985 -18.663 -14.558 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.881 -19.343 -15.737 1.00 0.00 H new ATOM 37 N SER A 5 -11.630 -20.963 -13.719 1.00 0.00 N ATOM 38 CA SER A 5 -11.101 -21.899 -12.742 1.00 0.00 C ATOM 39 C SER A 5 -11.612 -21.540 -11.345 1.00 0.00 C ATOM 40 O SER A 5 -12.002 -20.401 -11.096 1.00 0.00 O ATOM 41 CB SER A 5 -9.571 -21.910 -12.761 1.00 0.00 C ATOM 42 OG SER A 5 -9.054 -23.108 -13.332 1.00 0.00 O ATOM 0 H SER A 5 -12.262 -21.375 -14.405 1.00 0.00 H new ATOM 0 HA SER A 5 -11.447 -22.899 -13.004 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.209 -21.052 -13.328 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.195 -21.801 -11.744 1.00 0.00 H new ATOM 0 HG SER A 5 -8.075 -23.076 -13.328 1.00 0.00 H new ATOM 48 N SER A 6 -11.592 -22.535 -10.469 1.00 0.00 N ATOM 49 CA SER A 6 -12.048 -22.338 -9.103 1.00 0.00 C ATOM 50 C SER A 6 -10.919 -22.662 -8.123 1.00 0.00 C ATOM 51 O SER A 6 -10.399 -23.777 -8.116 1.00 0.00 O ATOM 52 CB SER A 6 -13.275 -23.201 -8.803 1.00 0.00 C ATOM 53 OG SER A 6 -12.942 -24.582 -8.689 1.00 0.00 O ATOM 0 H SER A 6 -11.267 -23.479 -10.679 1.00 0.00 H new ATOM 0 HA SER A 6 -12.334 -21.293 -8.985 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.739 -22.862 -7.876 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.013 -23.070 -9.595 1.00 0.00 H new ATOM 0 HG SER A 6 -11.970 -24.679 -8.610 1.00 0.00 H new ATOM 59 N GLY A 7 -10.573 -21.668 -7.319 1.00 0.00 N ATOM 60 CA GLY A 7 -9.515 -21.833 -6.337 1.00 0.00 C ATOM 61 C GLY A 7 -8.426 -20.774 -6.521 1.00 0.00 C ATOM 62 O GLY A 7 -7.309 -21.091 -6.927 1.00 0.00 O ATOM 0 H GLY A 7 -11.007 -20.745 -7.327 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.932 -21.760 -5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.079 -22.828 -6.430 1.00 0.00 H new ATOM 66 N GLU A 8 -8.789 -19.537 -6.213 1.00 0.00 N ATOM 67 CA GLU A 8 -7.857 -18.430 -6.340 1.00 0.00 C ATOM 68 C GLU A 8 -7.732 -17.686 -5.009 1.00 0.00 C ATOM 69 O GLU A 8 -8.678 -17.036 -4.566 1.00 0.00 O ATOM 70 CB GLU A 8 -8.282 -17.480 -7.461 1.00 0.00 C ATOM 71 CG GLU A 8 -8.249 -18.185 -8.819 1.00 0.00 C ATOM 72 CD GLU A 8 -9.224 -17.531 -9.800 1.00 0.00 C ATOM 73 OE1 GLU A 8 -10.444 -17.668 -9.564 1.00 0.00 O ATOM 74 OE2 GLU A 8 -8.727 -16.909 -10.764 1.00 0.00 O ATOM 0 H GLU A 8 -9.716 -19.277 -5.876 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.879 -18.833 -6.602 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.287 -17.107 -7.265 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.619 -16.615 -7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.239 -18.150 -9.227 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.505 -19.237 -8.693 1.00 0.00 H new ATOM 81 N GLU A 9 -6.558 -17.807 -4.407 1.00 0.00 N ATOM 82 CA GLU A 9 -6.298 -17.154 -3.136 1.00 0.00 C ATOM 83 C GLU A 9 -4.913 -16.502 -3.147 1.00 0.00 C ATOM 84 O GLU A 9 -3.949 -17.094 -3.630 1.00 0.00 O ATOM 85 CB GLU A 9 -6.429 -18.142 -1.975 1.00 0.00 C ATOM 86 CG GLU A 9 -7.769 -17.970 -1.257 1.00 0.00 C ATOM 87 CD GLU A 9 -7.622 -18.221 0.245 1.00 0.00 C ATOM 88 OE1 GLU A 9 -6.703 -17.613 0.835 1.00 0.00 O ATOM 89 OE2 GLU A 9 -8.433 -19.016 0.769 1.00 0.00 O ATOM 0 H GLU A 9 -5.776 -18.348 -4.776 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.045 -16.373 -2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.341 -19.162 -2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.612 -17.990 -1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.149 -16.962 -1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.501 -18.661 -1.675 1.00 0.00 H new ATOM 96 N ILE A 10 -4.860 -15.293 -2.609 1.00 0.00 N ATOM 97 CA ILE A 10 -3.609 -14.554 -2.551 1.00 0.00 C ATOM 98 C ILE A 10 -3.756 -13.388 -1.572 1.00 0.00 C ATOM 99 O ILE A 10 -4.862 -13.077 -1.132 1.00 0.00 O ATOM 100 CB ILE A 10 -3.174 -14.128 -3.954 1.00 0.00 C ATOM 101 CG1 ILE A 10 -1.680 -13.799 -3.988 1.00 0.00 C ATOM 102 CG2 ILE A 10 -4.028 -12.966 -4.465 1.00 0.00 C ATOM 103 CD1 ILE A 10 -1.052 -14.238 -5.313 1.00 0.00 C ATOM 0 H ILE A 10 -5.662 -14.806 -2.209 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.808 -15.189 -2.173 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.335 -14.967 -4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.537 -12.727 -3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.175 -14.296 -3.160 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.697 -12.683 -5.464 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.074 -13.272 -4.502 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.922 -12.114 -3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.010 -13.993 -5.311 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.176 -15.314 -5.435 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.543 -13.720 -6.137 1.00 0.00 H new ATOM 115 N PHE A 11 -2.624 -12.775 -1.259 1.00 0.00 N ATOM 116 CA PHE A 11 -2.612 -11.649 -0.339 1.00 0.00 C ATOM 117 C PHE A 11 -1.907 -10.442 -0.960 1.00 0.00 C ATOM 118 O PHE A 11 -0.913 -10.595 -1.669 1.00 0.00 O ATOM 119 CB PHE A 11 -1.838 -12.095 0.903 1.00 0.00 C ATOM 120 CG PHE A 11 -2.701 -12.224 2.160 1.00 0.00 C ATOM 121 CD1 PHE A 11 -3.395 -11.150 2.622 1.00 0.00 C ATOM 122 CD2 PHE A 11 -2.773 -13.414 2.816 1.00 0.00 C ATOM 123 CE1 PHE A 11 -4.195 -11.270 3.789 1.00 0.00 C ATOM 124 CE2 PHE A 11 -3.573 -13.534 3.983 1.00 0.00 C ATOM 125 CZ PHE A 11 -4.267 -12.460 4.445 1.00 0.00 C ATOM 0 H PHE A 11 -1.709 -13.036 -1.626 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.633 -11.354 -0.097 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.366 -13.056 0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.038 -11.381 1.096 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.338 -10.206 2.101 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.222 -14.267 2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.746 -10.417 4.156 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.630 -14.478 4.504 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.875 -12.551 5.333 1.00 0.00 H new ATOM 135 N CYS A 12 -2.448 -9.268 -0.670 1.00 0.00 N ATOM 136 CA CYS A 12 -1.882 -8.034 -1.190 1.00 0.00 C ATOM 137 C CYS A 12 -1.292 -7.245 -0.020 1.00 0.00 C ATOM 138 O CYS A 12 -1.963 -6.392 0.559 1.00 0.00 O ATOM 139 CB CYS A 12 -2.920 -7.218 -1.964 1.00 0.00 C ATOM 140 SG CYS A 12 -2.237 -5.573 -2.382 1.00 0.00 S ATOM 0 H CYS A 12 -3.272 -9.145 -0.082 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.092 -8.266 -1.905 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.204 -7.745 -2.875 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.825 -7.104 -1.367 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.173 -5.718 -3.114 1.00 0.00 H new ATOM 146 N HIS A 13 -0.043 -7.557 0.293 1.00 0.00 N ATOM 147 CA HIS A 13 0.645 -6.888 1.383 1.00 0.00 C ATOM 148 C HIS A 13 0.988 -5.455 0.971 1.00 0.00 C ATOM 149 O HIS A 13 1.641 -5.238 -0.048 1.00 0.00 O ATOM 150 CB HIS A 13 1.872 -7.688 1.824 1.00 0.00 C ATOM 151 CG HIS A 13 1.541 -8.963 2.562 1.00 0.00 C ATOM 152 ND1 HIS A 13 1.347 -10.173 1.918 1.00 0.00 N ATOM 153 CD2 HIS A 13 1.374 -9.205 3.893 1.00 0.00 C ATOM 154 CE1 HIS A 13 1.075 -11.094 2.831 1.00 0.00 C ATOM 155 NE2 HIS A 13 1.091 -10.492 4.054 1.00 0.00 N ATOM 0 H HIS A 13 0.510 -8.265 -0.190 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.011 -6.832 2.252 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.468 -7.933 0.945 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.492 -7.060 2.464 1.00 0.00 H new ATOM 0 HD2 HIS A 13 1.458 -8.473 4.683 1.00 0.00 H new ATOM 0 HE1 HIS A 13 0.876 -12.138 2.640 1.00 0.00 H new ATOM 0 HE2 HIS A 13 0.915 -10.954 4.946 1.00 0.00 H new ATOM 163 N VAL A 14 0.531 -4.514 1.784 1.00 0.00 N ATOM 164 CA VAL A 14 0.782 -3.108 1.517 1.00 0.00 C ATOM 165 C VAL A 14 1.649 -2.527 2.636 1.00 0.00 C ATOM 166 O VAL A 14 1.198 -2.401 3.773 1.00 0.00 O ATOM 167 CB VAL A 14 -0.544 -2.364 1.341 1.00 0.00 C ATOM 168 CG1 VAL A 14 -1.647 -3.314 0.869 1.00 0.00 C ATOM 169 CG2 VAL A 14 -0.950 -1.653 2.633 1.00 0.00 C ATOM 0 H VAL A 14 -0.012 -4.698 2.628 1.00 0.00 H new ATOM 0 HA VAL A 14 1.333 -2.989 0.584 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.402 -1.605 0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.579 -2.760 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.364 -3.754 -0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.786 -4.105 1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.895 -1.132 2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.064 -2.386 3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.180 -0.933 2.910 1.00 0.00 H new ATOM 179 N TYR A 15 2.877 -2.188 2.273 1.00 0.00 N ATOM 180 CA TYR A 15 3.811 -1.623 3.232 1.00 0.00 C ATOM 181 C TYR A 15 3.577 -0.121 3.407 1.00 0.00 C ATOM 182 O TYR A 15 3.809 0.659 2.485 1.00 0.00 O ATOM 183 CB TYR A 15 5.206 -1.844 2.643 1.00 0.00 C ATOM 184 CG TYR A 15 5.779 -3.238 2.906 1.00 0.00 C ATOM 185 CD1 TYR A 15 4.957 -4.345 2.845 1.00 0.00 C ATOM 186 CD2 TYR A 15 7.118 -3.389 3.204 1.00 0.00 C ATOM 187 CE1 TYR A 15 5.496 -5.657 3.092 1.00 0.00 C ATOM 188 CE2 TYR A 15 7.657 -4.701 3.452 1.00 0.00 C ATOM 189 CZ TYR A 15 6.819 -5.770 3.384 1.00 0.00 C ATOM 190 OH TYR A 15 7.329 -7.009 3.618 1.00 0.00 O ATOM 0 H TYR A 15 3.247 -2.294 1.328 1.00 0.00 H new ATOM 0 HA TYR A 15 3.689 -2.093 4.208 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.165 -1.676 1.567 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.886 -1.099 3.056 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.909 -4.227 2.612 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.762 -2.523 3.251 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.864 -6.531 3.046 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.703 -4.833 3.687 1.00 0.00 H new ATOM 0 HH TYR A 15 8.287 -6.937 3.813 1.00 0.00 H new ATOM 200 N ILE A 16 3.120 0.239 4.598 1.00 0.00 N ATOM 201 CA ILE A 16 2.851 1.634 4.905 1.00 0.00 C ATOM 202 C ILE A 16 4.177 2.385 5.043 1.00 0.00 C ATOM 203 O ILE A 16 4.444 3.321 4.291 1.00 0.00 O ATOM 204 CB ILE A 16 1.950 1.747 6.136 1.00 0.00 C ATOM 205 CG1 ILE A 16 0.738 0.821 6.015 1.00 0.00 C ATOM 206 CG2 ILE A 16 1.539 3.200 6.383 1.00 0.00 C ATOM 207 CD1 ILE A 16 0.235 0.392 7.395 1.00 0.00 C ATOM 0 H ILE A 16 2.929 -0.410 5.361 1.00 0.00 H new ATOM 0 HA ILE A 16 2.300 2.105 4.091 1.00 0.00 H new ATOM 0 HB ILE A 16 2.519 1.421 7.007 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.060 1.330 5.475 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.006 -0.060 5.432 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.899 3.252 7.264 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.429 3.807 6.545 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.995 3.577 5.517 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.627 -0.265 7.280 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.028 -0.138 7.923 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.055 1.274 7.967 1.00 0.00 H new ATOM 219 N THR A 17 4.971 1.948 6.008 1.00 0.00 N ATOM 220 CA THR A 17 6.262 2.568 6.254 1.00 0.00 C ATOM 221 C THR A 17 7.394 1.632 5.823 1.00 0.00 C ATOM 222 O THR A 17 7.319 1.008 4.766 1.00 0.00 O ATOM 223 CB THR A 17 6.326 2.957 7.732 1.00 0.00 C ATOM 224 OG1 THR A 17 6.187 1.719 8.424 1.00 0.00 O ATOM 225 CG2 THR A 17 5.109 3.771 8.176 1.00 0.00 C ATOM 0 H THR A 17 4.746 1.171 6.630 1.00 0.00 H new ATOM 0 HA THR A 17 6.386 3.473 5.659 1.00 0.00 H new ATOM 0 HB THR A 17 7.234 3.531 7.917 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.421 1.769 9.033 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.204 4.021 9.233 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.051 4.688 7.590 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.203 3.184 8.022 1.00 0.00 H new ATOM 233 N GLU A 18 8.416 1.565 6.663 1.00 0.00 N ATOM 234 CA GLU A 18 9.561 0.716 6.382 1.00 0.00 C ATOM 235 C GLU A 18 9.378 -0.655 7.036 1.00 0.00 C ATOM 236 O GLU A 18 9.763 -1.675 6.465 1.00 0.00 O ATOM 237 CB GLU A 18 10.860 1.377 6.848 1.00 0.00 C ATOM 238 CG GLU A 18 12.029 0.986 5.942 1.00 0.00 C ATOM 239 CD GLU A 18 12.358 2.109 4.957 1.00 0.00 C ATOM 240 OE1 GLU A 18 12.807 3.173 5.437 1.00 0.00 O ATOM 241 OE2 GLU A 18 12.153 1.879 3.745 1.00 0.00 O ATOM 0 H GLU A 18 8.475 2.085 7.539 1.00 0.00 H new ATOM 0 HA GLU A 18 9.630 0.576 5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.741 2.461 6.848 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.076 1.080 7.874 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.906 0.762 6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.781 0.077 5.394 1.00 0.00 H new ATOM 248 N HIS A 19 8.791 -0.636 8.223 1.00 0.00 N ATOM 249 CA HIS A 19 8.553 -1.866 8.960 1.00 0.00 C ATOM 250 C HIS A 19 7.064 -1.984 9.292 1.00 0.00 C ATOM 251 O HIS A 19 6.698 -2.532 10.331 1.00 0.00 O ATOM 252 CB HIS A 19 9.445 -1.937 10.201 1.00 0.00 C ATOM 253 CG HIS A 19 10.847 -1.422 9.980 1.00 0.00 C ATOM 254 ND1 HIS A 19 11.545 -0.712 10.941 1.00 0.00 N ATOM 255 CD2 HIS A 19 11.674 -1.524 8.900 1.00 0.00 C ATOM 256 CE1 HIS A 19 12.736 -0.403 10.450 1.00 0.00 C ATOM 257 NE2 HIS A 19 12.814 -0.907 9.184 1.00 0.00 N ATOM 0 H HIS A 19 8.473 0.211 8.693 1.00 0.00 H new ATOM 0 HA HIS A 19 8.821 -2.723 8.342 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.980 -1.363 11.003 1.00 0.00 H new ATOM 0 HB3 HIS A 19 9.498 -2.972 10.539 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.440 -2.023 7.971 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.509 0.151 10.962 1.00 0.00 H new ATOM 0 HE2 HIS A 19 13.616 -0.823 8.559 1.00 0.00 H new ATOM 265 N SER A 20 6.246 -1.462 8.390 1.00 0.00 N ATOM 266 CA SER A 20 4.805 -1.503 8.575 1.00 0.00 C ATOM 267 C SER A 20 4.116 -1.820 7.246 1.00 0.00 C ATOM 268 O SER A 20 4.498 -1.290 6.203 1.00 0.00 O ATOM 269 CB SER A 20 4.285 -0.180 9.140 1.00 0.00 C ATOM 270 OG SER A 20 5.164 0.364 10.121 1.00 0.00 O ATOM 0 H SER A 20 6.553 -1.009 7.529 1.00 0.00 H new ATOM 0 HA SER A 20 4.574 -2.290 9.293 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.160 0.537 8.328 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.301 -0.336 9.582 1.00 0.00 H new ATOM 0 HG SER A 20 6.037 0.545 9.714 1.00 0.00 H new ATOM 276 N TYR A 21 3.114 -2.682 7.326 1.00 0.00 N ATOM 277 CA TYR A 21 2.368 -3.076 6.143 1.00 0.00 C ATOM 278 C TYR A 21 1.009 -3.666 6.522 1.00 0.00 C ATOM 279 O TYR A 21 0.707 -3.829 7.703 1.00 0.00 O ATOM 280 CB TYR A 21 3.206 -4.156 5.457 1.00 0.00 C ATOM 281 CG TYR A 21 3.204 -5.502 6.185 1.00 0.00 C ATOM 282 CD1 TYR A 21 2.125 -6.354 6.057 1.00 0.00 C ATOM 283 CD2 TYR A 21 4.279 -5.864 6.970 1.00 0.00 C ATOM 284 CE1 TYR A 21 2.123 -7.620 6.742 1.00 0.00 C ATOM 285 CE2 TYR A 21 4.277 -7.130 7.655 1.00 0.00 C ATOM 286 CZ TYR A 21 3.199 -7.946 7.508 1.00 0.00 C ATOM 287 OH TYR A 21 3.196 -9.142 8.155 1.00 0.00 O ATOM 0 H TYR A 21 2.801 -3.119 8.193 1.00 0.00 H new ATOM 0 HA TYR A 21 2.187 -2.215 5.500 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.832 -4.302 4.444 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.234 -3.803 5.370 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.283 -6.071 5.443 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.123 -5.197 7.071 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.286 -8.296 6.650 1.00 0.00 H new ATOM 0 HE2 TYR A 21 5.113 -7.425 8.272 1.00 0.00 H new ATOM 0 HH TYR A 21 4.028 -9.241 8.663 1.00 0.00 H new ATOM 297 N VAL A 22 0.224 -3.969 5.498 1.00 0.00 N ATOM 298 CA VAL A 22 -1.096 -4.537 5.709 1.00 0.00 C ATOM 299 C VAL A 22 -1.335 -5.653 4.690 1.00 0.00 C ATOM 300 O VAL A 22 -1.158 -5.451 3.490 1.00 0.00 O ATOM 301 CB VAL A 22 -2.156 -3.435 5.649 1.00 0.00 C ATOM 302 CG1 VAL A 22 -3.452 -3.883 6.328 1.00 0.00 C ATOM 303 CG2 VAL A 22 -1.633 -2.137 6.267 1.00 0.00 C ATOM 0 H VAL A 22 0.478 -3.832 4.520 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.166 -4.982 6.701 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.378 -3.240 4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.188 -3.081 6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.840 -4.768 5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.252 -4.119 7.373 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.406 -1.370 6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.369 -2.311 7.310 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.751 -1.803 5.720 1.00 0.00 H new ATOM 313 N SER A 23 -1.735 -6.806 5.206 1.00 0.00 N ATOM 314 CA SER A 23 -2.000 -7.955 4.356 1.00 0.00 C ATOM 315 C SER A 23 -3.478 -7.984 3.963 1.00 0.00 C ATOM 316 O SER A 23 -4.340 -8.260 4.796 1.00 0.00 O ATOM 317 CB SER A 23 -1.611 -9.259 5.055 1.00 0.00 C ATOM 318 OG SER A 23 -2.636 -9.723 5.929 1.00 0.00 O ATOM 0 H SER A 23 -1.882 -6.969 6.202 1.00 0.00 H new ATOM 0 HA SER A 23 -1.392 -7.862 3.456 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.400 -10.023 4.306 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.693 -9.106 5.622 1.00 0.00 H new ATOM 0 HG SER A 23 -3.337 -10.165 5.406 1.00 0.00 H new ATOM 324 N VAL A 24 -3.726 -7.695 2.694 1.00 0.00 N ATOM 325 CA VAL A 24 -5.085 -7.685 2.180 1.00 0.00 C ATOM 326 C VAL A 24 -5.304 -8.922 1.306 1.00 0.00 C ATOM 327 O VAL A 24 -4.763 -9.012 0.205 1.00 0.00 O ATOM 328 CB VAL A 24 -5.354 -6.374 1.439 1.00 0.00 C ATOM 329 CG1 VAL A 24 -6.755 -6.369 0.824 1.00 0.00 C ATOM 330 CG2 VAL A 24 -5.157 -5.171 2.363 1.00 0.00 C ATOM 0 H VAL A 24 -3.008 -7.466 2.006 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.804 -7.734 2.998 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.631 -6.294 0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.920 -5.426 0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.845 -7.194 0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.499 -6.483 1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.355 -4.252 1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.845 -5.243 3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.131 -5.159 2.732 1.00 0.00 H new ATOM 340 N LYS A 25 -6.099 -9.843 1.829 1.00 0.00 N ATOM 341 CA LYS A 25 -6.397 -11.070 1.111 1.00 0.00 C ATOM 342 C LYS A 25 -7.433 -10.781 0.023 1.00 0.00 C ATOM 343 O LYS A 25 -8.630 -10.727 0.299 1.00 0.00 O ATOM 344 CB LYS A 25 -6.820 -12.172 2.084 1.00 0.00 C ATOM 345 CG LYS A 25 -8.152 -11.831 2.754 1.00 0.00 C ATOM 346 CD LYS A 25 -8.133 -12.207 4.237 1.00 0.00 C ATOM 347 CE LYS A 25 -7.919 -13.711 4.419 1.00 0.00 C ATOM 348 NZ LYS A 25 -9.218 -14.404 4.574 1.00 0.00 N ATOM 0 H LYS A 25 -6.546 -9.764 2.742 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.504 -11.444 0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.909 -13.118 1.551 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.050 -12.306 2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.354 -10.765 2.648 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.962 -12.360 2.252 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.339 -11.659 4.745 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.073 -11.911 4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.385 -14.115 3.559 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.296 -13.892 5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.055 -15.424 4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.714 -14.030 5.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.799 -14.246 3.726 1.00 0.00 H new ATOM 362 N ALA A 26 -6.934 -10.602 -1.192 1.00 0.00 N ATOM 363 CA ALA A 26 -7.802 -10.319 -2.323 1.00 0.00 C ATOM 364 C ALA A 26 -7.720 -11.473 -3.324 1.00 0.00 C ATOM 365 O ALA A 26 -6.999 -12.444 -3.100 1.00 0.00 O ATOM 366 CB ALA A 26 -7.408 -8.978 -2.945 1.00 0.00 C ATOM 0 H ALA A 26 -5.940 -10.647 -1.418 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.840 -10.236 -2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.059 -8.765 -3.793 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.511 -8.188 -2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.373 -9.024 -3.284 1.00 0.00 H new ATOM 372 N LYS A 27 -8.470 -11.329 -4.406 1.00 0.00 N ATOM 373 CA LYS A 27 -8.492 -12.348 -5.442 1.00 0.00 C ATOM 374 C LYS A 27 -7.209 -12.255 -6.270 1.00 0.00 C ATOM 375 O LYS A 27 -6.388 -11.365 -6.051 1.00 0.00 O ATOM 376 CB LYS A 27 -9.770 -12.238 -6.276 1.00 0.00 C ATOM 377 CG LYS A 27 -11.004 -12.133 -5.376 1.00 0.00 C ATOM 378 CD LYS A 27 -11.745 -13.470 -5.304 1.00 0.00 C ATOM 379 CE LYS A 27 -12.890 -13.408 -4.292 1.00 0.00 C ATOM 380 NZ LYS A 27 -13.405 -14.767 -4.008 1.00 0.00 N ATOM 0 H LYS A 27 -9.067 -10.522 -4.588 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.514 -13.343 -4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.712 -11.363 -6.923 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.861 -13.109 -6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.703 -11.825 -4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.673 -11.362 -5.759 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.138 -13.725 -6.288 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.049 -14.261 -5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.543 -12.944 -3.369 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.693 -12.782 -4.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.182 -14.707 -3.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.755 -15.197 -4.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.640 -15.353 -3.617 1.00 0.00 H new ATOM 394 N VAL A 28 -7.076 -13.185 -7.204 1.00 0.00 N ATOM 395 CA VAL A 28 -5.906 -13.219 -8.065 1.00 0.00 C ATOM 396 C VAL A 28 -6.102 -12.239 -9.223 1.00 0.00 C ATOM 397 O VAL A 28 -5.206 -12.056 -10.045 1.00 0.00 O ATOM 398 CB VAL A 28 -5.642 -14.652 -8.533 1.00 0.00 C ATOM 399 CG1 VAL A 28 -6.690 -15.097 -9.555 1.00 0.00 C ATOM 400 CG2 VAL A 28 -4.228 -14.792 -9.101 1.00 0.00 C ATOM 0 H VAL A 28 -7.759 -13.921 -7.383 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.019 -12.902 -7.517 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.721 -15.307 -7.666 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.479 -16.119 -9.871 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.681 -15.054 -9.102 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.658 -14.435 -10.421 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.067 -15.820 -9.426 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.109 -14.120 -9.951 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.500 -14.536 -8.331 1.00 0.00 H new ATOM 410 N SER A 29 -7.281 -11.635 -9.252 1.00 0.00 N ATOM 411 CA SER A 29 -7.606 -10.678 -10.295 1.00 0.00 C ATOM 412 C SER A 29 -8.217 -9.418 -9.679 1.00 0.00 C ATOM 413 O SER A 29 -8.949 -8.688 -10.345 1.00 0.00 O ATOM 414 CB SER A 29 -8.567 -11.285 -11.320 1.00 0.00 C ATOM 415 OG SER A 29 -9.929 -11.012 -11.003 1.00 0.00 O ATOM 0 H SER A 29 -8.023 -11.790 -8.569 1.00 0.00 H new ATOM 0 HA SER A 29 -6.684 -10.412 -10.812 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.339 -10.889 -12.310 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.415 -12.363 -11.365 1.00 0.00 H new ATOM 0 HG SER A 29 -10.074 -10.043 -10.992 1.00 0.00 H new ATOM 421 N SER A 30 -7.892 -9.201 -8.412 1.00 0.00 N ATOM 422 CA SER A 30 -8.399 -8.041 -7.698 1.00 0.00 C ATOM 423 C SER A 30 -7.536 -6.817 -8.009 1.00 0.00 C ATOM 424 O SER A 30 -6.316 -6.925 -8.122 1.00 0.00 O ATOM 425 CB SER A 30 -8.436 -8.296 -6.190 1.00 0.00 C ATOM 426 OG SER A 30 -9.558 -7.674 -5.570 1.00 0.00 O ATOM 0 H SER A 30 -7.284 -9.808 -7.862 1.00 0.00 H new ATOM 0 HA SER A 30 -9.419 -7.852 -8.032 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.469 -9.370 -6.005 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.518 -7.922 -5.737 1.00 0.00 H new ATOM 0 HG SER A 30 -9.932 -8.275 -4.892 1.00 0.00 H new ATOM 432 N ILE A 31 -8.204 -5.679 -8.137 1.00 0.00 N ATOM 433 CA ILE A 31 -7.513 -4.436 -8.433 1.00 0.00 C ATOM 434 C ILE A 31 -6.958 -3.845 -7.135 1.00 0.00 C ATOM 435 O ILE A 31 -7.366 -4.241 -6.044 1.00 0.00 O ATOM 436 CB ILE A 31 -8.431 -3.482 -9.199 1.00 0.00 C ATOM 437 CG1 ILE A 31 -9.782 -3.337 -8.496 1.00 0.00 C ATOM 438 CG2 ILE A 31 -8.588 -3.923 -10.656 1.00 0.00 C ATOM 439 CD1 ILE A 31 -10.513 -2.077 -8.964 1.00 0.00 C ATOM 0 H ILE A 31 -9.216 -5.592 -8.041 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.663 -4.620 -9.090 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.966 -2.496 -9.209 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.397 -4.214 -8.698 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.632 -3.295 -7.417 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.245 -3.228 -11.178 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.612 -3.932 -11.141 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.019 -4.924 -10.689 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.470 -1.999 -8.448 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.907 -1.200 -8.739 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.684 -2.134 -10.039 1.00 0.00 H new ATOM 451 N ALA A 32 -6.036 -2.907 -7.296 1.00 0.00 N ATOM 452 CA ALA A 32 -5.421 -2.258 -6.151 1.00 0.00 C ATOM 453 C ALA A 32 -6.507 -1.593 -5.303 1.00 0.00 C ATOM 454 O ALA A 32 -6.480 -1.676 -4.076 1.00 0.00 O ATOM 455 CB ALA A 32 -4.366 -1.261 -6.634 1.00 0.00 C ATOM 0 H ALA A 32 -5.700 -2.581 -8.202 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.914 -2.990 -5.522 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.905 -0.774 -5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.602 -1.788 -7.206 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.838 -0.509 -7.266 1.00 0.00 H new ATOM 461 N GLN A 33 -7.437 -0.947 -5.991 1.00 0.00 N ATOM 462 CA GLN A 33 -8.530 -0.267 -5.317 1.00 0.00 C ATOM 463 C GLN A 33 -9.194 -1.204 -4.305 1.00 0.00 C ATOM 464 O GLN A 33 -9.519 -0.792 -3.193 1.00 0.00 O ATOM 465 CB GLN A 33 -9.551 0.264 -6.325 1.00 0.00 C ATOM 466 CG GLN A 33 -10.814 0.758 -5.617 1.00 0.00 C ATOM 467 CD GLN A 33 -10.645 2.202 -5.140 1.00 0.00 C ATOM 468 OE1 GLN A 33 -11.211 3.134 -5.688 1.00 0.00 O ATOM 469 NE2 GLN A 33 -9.838 2.335 -4.092 1.00 0.00 N ATOM 0 H GLN A 33 -7.456 -0.880 -7.009 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.123 0.589 -4.778 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.110 1.078 -6.900 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.811 -0.522 -7.034 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.665 0.692 -6.295 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.034 0.113 -4.766 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.396 1.513 -3.681 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.661 3.259 -3.699 1.00 0.00 H new ATOM 478 N GLU A 34 -9.375 -2.446 -4.728 1.00 0.00 N ATOM 479 CA GLU A 34 -9.995 -3.445 -3.873 1.00 0.00 C ATOM 480 C GLU A 34 -9.142 -3.677 -2.624 1.00 0.00 C ATOM 481 O GLU A 34 -9.595 -4.302 -1.667 1.00 0.00 O ATOM 482 CB GLU A 34 -10.221 -4.753 -4.633 1.00 0.00 C ATOM 483 CG GLU A 34 -11.407 -4.632 -5.593 1.00 0.00 C ATOM 484 CD GLU A 34 -12.626 -5.385 -5.056 1.00 0.00 C ATOM 485 OE1 GLU A 34 -12.868 -5.275 -3.834 1.00 0.00 O ATOM 486 OE2 GLU A 34 -13.287 -6.054 -5.879 1.00 0.00 O ATOM 0 H GLU A 34 -9.103 -2.784 -5.651 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.970 -3.072 -3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.322 -5.013 -5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.402 -5.562 -3.926 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.658 -3.581 -5.736 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.131 -5.029 -6.570 1.00 0.00 H new ATOM 493 N ILE A 35 -7.923 -3.160 -2.674 1.00 0.00 N ATOM 494 CA ILE A 35 -7.003 -3.302 -1.559 1.00 0.00 C ATOM 495 C ILE A 35 -6.953 -1.990 -0.773 1.00 0.00 C ATOM 496 O ILE A 35 -7.157 -1.981 0.440 1.00 0.00 O ATOM 497 CB ILE A 35 -5.635 -3.778 -2.050 1.00 0.00 C ATOM 498 CG1 ILE A 35 -5.782 -4.862 -3.120 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.763 -4.241 -0.882 1.00 0.00 C ATOM 500 CD1 ILE A 35 -6.472 -6.103 -2.551 1.00 0.00 C ATOM 0 H ILE A 35 -7.551 -2.642 -3.470 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.354 -4.072 -0.872 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.128 -2.933 -2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.359 -4.474 -3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.799 -5.133 -3.506 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.796 -4.574 -1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.616 -3.414 -0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.254 -5.065 -0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.564 -6.858 -3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.880 -6.503 -1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.464 -5.834 -2.188 1.00 0.00 H new ATOM 512 N LEU A 36 -6.681 -0.915 -1.497 1.00 0.00 N ATOM 513 CA LEU A 36 -6.601 0.400 -0.883 1.00 0.00 C ATOM 514 C LEU A 36 -7.835 0.624 -0.007 1.00 0.00 C ATOM 515 O LEU A 36 -7.731 1.177 1.087 1.00 0.00 O ATOM 516 CB LEU A 36 -6.400 1.478 -1.950 1.00 0.00 C ATOM 517 CG LEU A 36 -6.132 2.893 -1.432 1.00 0.00 C ATOM 518 CD1 LEU A 36 -4.678 3.044 -0.981 1.00 0.00 C ATOM 519 CD2 LEU A 36 -6.521 3.942 -2.476 1.00 0.00 C ATOM 0 H LEU A 36 -6.513 -0.927 -2.503 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.730 0.464 -0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.566 1.181 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.288 1.506 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.760 3.062 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.513 4.058 -0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.469 2.333 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.014 2.848 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.321 4.939 -2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.938 3.786 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.582 3.850 -2.707 1.00 0.00 H new ATOM 531 N LYS A 37 -8.974 0.185 -0.521 1.00 0.00 N ATOM 532 CA LYS A 37 -10.227 0.331 0.201 1.00 0.00 C ATOM 533 C LYS A 37 -10.134 -0.421 1.531 1.00 0.00 C ATOM 534 O LYS A 37 -10.758 -0.027 2.515 1.00 0.00 O ATOM 535 CB LYS A 37 -11.403 -0.108 -0.673 1.00 0.00 C ATOM 536 CG LYS A 37 -11.299 -1.593 -1.028 1.00 0.00 C ATOM 537 CD LYS A 37 -12.535 -2.358 -0.553 1.00 0.00 C ATOM 538 CE LYS A 37 -12.380 -3.860 -0.803 1.00 0.00 C ATOM 539 NZ LYS A 37 -13.703 -4.493 -0.999 1.00 0.00 N ATOM 0 H LYS A 37 -9.056 -0.272 -1.429 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.411 1.379 0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.340 0.079 -0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.424 0.487 -1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.189 -1.706 -2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.406 -2.018 -0.571 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.693 -2.177 0.510 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.418 -1.988 -1.074 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.757 -4.026 -1.682 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.870 -4.324 0.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.809 -5.288 -0.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.452 -3.793 -0.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.779 -4.843 -1.975 1.00 0.00 H new ATOM 553 N VAL A 38 -9.351 -1.490 1.517 1.00 0.00 N ATOM 554 CA VAL A 38 -9.169 -2.300 2.709 1.00 0.00 C ATOM 555 C VAL A 38 -8.142 -1.630 3.624 1.00 0.00 C ATOM 556 O VAL A 38 -8.461 -1.254 4.751 1.00 0.00 O ATOM 557 CB VAL A 38 -8.781 -3.727 2.317 1.00 0.00 C ATOM 558 CG1 VAL A 38 -8.852 -4.665 3.524 1.00 0.00 C ATOM 559 CG2 VAL A 38 -9.656 -4.239 1.172 1.00 0.00 C ATOM 0 H VAL A 38 -8.835 -1.814 0.699 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.102 -2.373 3.268 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.749 -3.709 1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.572 -5.673 3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.167 -4.316 4.297 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.868 -4.675 3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.359 -5.255 0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.701 -4.234 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.533 -3.593 0.303 1.00 0.00 H new ATOM 569 N VAL A 39 -6.930 -1.501 3.104 1.00 0.00 N ATOM 570 CA VAL A 39 -5.854 -0.883 3.860 1.00 0.00 C ATOM 571 C VAL A 39 -6.371 0.396 4.522 1.00 0.00 C ATOM 572 O VAL A 39 -6.264 0.558 5.737 1.00 0.00 O ATOM 573 CB VAL A 39 -4.648 -0.640 2.951 1.00 0.00 C ATOM 574 CG1 VAL A 39 -3.545 0.118 3.693 1.00 0.00 C ATOM 575 CG2 VAL A 39 -4.118 -1.957 2.379 1.00 0.00 C ATOM 0 H VAL A 39 -6.670 -1.814 2.169 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.516 -1.547 4.655 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.977 -0.020 2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.700 0.277 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.928 1.081 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.220 -0.464 4.555 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.261 -1.756 1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.814 -2.612 3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.902 -2.443 1.797 1.00 0.00 H new ATOM 585 N ALA A 40 -6.920 1.272 3.694 1.00 0.00 N ATOM 586 CA ALA A 40 -7.454 2.532 4.184 1.00 0.00 C ATOM 587 C ALA A 40 -8.152 2.298 5.525 1.00 0.00 C ATOM 588 O ALA A 40 -7.987 3.081 6.459 1.00 0.00 O ATOM 589 CB ALA A 40 -8.392 3.131 3.134 1.00 0.00 C ATOM 0 H ALA A 40 -7.007 1.135 2.687 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.652 3.250 4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.793 4.076 3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.840 3.305 2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.212 2.439 2.942 1.00 0.00 H new ATOM 595 N GLU A 41 -8.917 1.218 5.577 1.00 0.00 N ATOM 596 CA GLU A 41 -9.641 0.871 6.788 1.00 0.00 C ATOM 597 C GLU A 41 -8.673 0.361 7.858 1.00 0.00 C ATOM 598 O GLU A 41 -8.764 0.752 9.020 1.00 0.00 O ATOM 599 CB GLU A 41 -10.731 -0.162 6.499 1.00 0.00 C ATOM 600 CG GLU A 41 -11.486 0.184 5.213 1.00 0.00 C ATOM 601 CD GLU A 41 -12.962 0.463 5.502 1.00 0.00 C ATOM 602 OE1 GLU A 41 -13.225 1.113 6.537 1.00 0.00 O ATOM 603 OE2 GLU A 41 -13.795 0.020 4.682 1.00 0.00 O ATOM 0 H GLU A 41 -9.051 0.571 4.800 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.129 1.770 7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.284 -1.152 6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.429 -0.203 7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.032 1.057 4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.400 -0.639 4.504 1.00 0.00 H new ATOM 610 N LYS A 42 -7.767 -0.505 7.426 1.00 0.00 N ATOM 611 CA LYS A 42 -6.783 -1.073 8.332 1.00 0.00 C ATOM 612 C LYS A 42 -6.056 0.058 9.062 1.00 0.00 C ATOM 613 O LYS A 42 -5.611 -0.116 10.196 1.00 0.00 O ATOM 614 CB LYS A 42 -5.847 -2.021 7.580 1.00 0.00 C ATOM 615 CG LYS A 42 -6.092 -3.474 7.992 1.00 0.00 C ATOM 616 CD LYS A 42 -7.544 -3.881 7.731 1.00 0.00 C ATOM 617 CE LYS A 42 -7.674 -4.626 6.401 1.00 0.00 C ATOM 618 NZ LYS A 42 -7.744 -6.087 6.631 1.00 0.00 N ATOM 0 H LYS A 42 -7.694 -0.827 6.461 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.272 -1.682 9.093 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.000 -1.913 6.506 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.811 -1.751 7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.421 -4.131 7.438 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.860 -3.600 9.050 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.899 -4.515 8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.177 -2.994 7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.568 -4.291 5.876 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.823 -4.393 5.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.832 -6.578 5.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.879 -6.404 7.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.570 -6.306 7.223 1.00 0.00 H new ATOM 632 N ILE A 43 -5.959 1.191 8.383 1.00 0.00 N ATOM 633 CA ILE A 43 -5.293 2.350 8.953 1.00 0.00 C ATOM 634 C ILE A 43 -6.345 3.364 9.407 1.00 0.00 C ATOM 635 O ILE A 43 -6.053 4.249 10.211 1.00 0.00 O ATOM 636 CB ILE A 43 -4.274 2.922 7.966 1.00 0.00 C ATOM 637 CG1 ILE A 43 -4.927 3.944 7.033 1.00 0.00 C ATOM 638 CG2 ILE A 43 -3.574 1.804 7.190 1.00 0.00 C ATOM 639 CD1 ILE A 43 -3.878 4.644 6.166 1.00 0.00 C ATOM 0 H ILE A 43 -6.330 1.331 7.443 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.721 2.065 9.836 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.508 3.449 8.535 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.657 3.445 6.395 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.470 4.684 7.621 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.855 2.238 6.495 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.054 1.147 7.888 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.314 1.229 6.634 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.369 5.365 5.512 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.164 5.162 6.806 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.353 3.904 5.561 1.00 0.00 H new ATOM 651 N GLN A 44 -7.546 3.203 8.873 1.00 0.00 N ATOM 652 CA GLN A 44 -8.643 4.093 9.214 1.00 0.00 C ATOM 653 C GLN A 44 -8.467 5.443 8.516 1.00 0.00 C ATOM 654 O GLN A 44 -8.418 6.483 9.171 1.00 0.00 O ATOM 655 CB GLN A 44 -8.755 4.270 10.729 1.00 0.00 C ATOM 656 CG GLN A 44 -8.692 2.919 11.445 1.00 0.00 C ATOM 657 CD GLN A 44 -9.154 3.046 12.898 1.00 0.00 C ATOM 658 OE1 GLN A 44 -9.925 3.921 13.257 1.00 0.00 O ATOM 659 NE2 GLN A 44 -8.641 2.127 13.711 1.00 0.00 N ATOM 0 H GLN A 44 -7.784 2.469 8.206 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.572 3.643 8.864 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.949 4.912 11.084 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.692 4.771 10.972 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.319 2.197 10.922 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.672 2.535 11.416 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.001 1.422 13.345 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.888 2.127 14.701 1.00 0.00 H new ATOM 668 N TYR A 45 -8.376 5.384 7.196 1.00 0.00 N ATOM 669 CA TYR A 45 -8.206 6.589 6.402 1.00 0.00 C ATOM 670 C TYR A 45 -9.197 6.622 5.237 1.00 0.00 C ATOM 671 O TYR A 45 -10.209 5.924 5.258 1.00 0.00 O ATOM 672 CB TYR A 45 -6.782 6.529 5.844 1.00 0.00 C ATOM 673 CG TYR A 45 -5.878 7.666 6.323 1.00 0.00 C ATOM 674 CD1 TYR A 45 -5.259 7.583 7.554 1.00 0.00 C ATOM 675 CD2 TYR A 45 -5.681 8.774 5.525 1.00 0.00 C ATOM 676 CE1 TYR A 45 -4.408 8.653 8.005 1.00 0.00 C ATOM 677 CE2 TYR A 45 -4.829 9.845 5.976 1.00 0.00 C ATOM 678 CZ TYR A 45 -4.235 9.731 7.194 1.00 0.00 C ATOM 679 OH TYR A 45 -3.431 10.742 7.620 1.00 0.00 O ATOM 0 H TYR A 45 -8.417 4.520 6.656 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.380 7.477 7.010 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.332 5.577 6.126 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.828 6.549 4.755 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.413 6.716 8.179 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.166 8.839 4.562 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.918 8.601 8.966 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.666 10.718 5.361 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.734 10.381 8.206 1.00 0.00 H new ATOM 689 N ALA A 46 -8.870 7.441 4.247 1.00 0.00 N ATOM 690 CA ALA A 46 -9.719 7.574 3.076 1.00 0.00 C ATOM 691 C ALA A 46 -8.989 7.010 1.855 1.00 0.00 C ATOM 692 O ALA A 46 -8.147 7.685 1.264 1.00 0.00 O ATOM 693 CB ALA A 46 -10.111 9.042 2.893 1.00 0.00 C ATOM 0 H ALA A 46 -8.029 8.018 4.232 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.639 7.004 3.203 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.748 9.142 2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.652 9.387 3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.213 9.645 2.760 1.00 0.00 H new ATOM 699 N GLU A 47 -9.337 5.778 1.514 1.00 0.00 N ATOM 700 CA GLU A 47 -8.725 5.115 0.375 1.00 0.00 C ATOM 701 C GLU A 47 -8.577 6.094 -0.791 1.00 0.00 C ATOM 702 O GLU A 47 -7.544 6.118 -1.459 1.00 0.00 O ATOM 703 CB GLU A 47 -9.532 3.884 -0.041 1.00 0.00 C ATOM 704 CG GLU A 47 -11.002 4.242 -0.266 1.00 0.00 C ATOM 705 CD GLU A 47 -11.799 3.021 -0.731 1.00 0.00 C ATOM 706 OE1 GLU A 47 -11.769 2.755 -1.952 1.00 0.00 O ATOM 707 OE2 GLU A 47 -12.420 2.382 0.145 1.00 0.00 O ATOM 0 H GLU A 47 -10.035 5.221 2.007 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.731 4.775 0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.113 3.462 -0.954 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.455 3.117 0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.431 4.630 0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.077 5.035 -1.010 1.00 0.00 H new ATOM 714 N GLU A 48 -9.624 6.878 -1.001 1.00 0.00 N ATOM 715 CA GLU A 48 -9.623 7.856 -2.075 1.00 0.00 C ATOM 716 C GLU A 48 -8.457 8.832 -1.904 1.00 0.00 C ATOM 717 O GLU A 48 -7.812 9.211 -2.881 1.00 0.00 O ATOM 718 CB GLU A 48 -10.957 8.602 -2.139 1.00 0.00 C ATOM 719 CG GLU A 48 -11.203 9.395 -0.853 1.00 0.00 C ATOM 720 CD GLU A 48 -12.684 9.753 -0.705 1.00 0.00 C ATOM 721 OE1 GLU A 48 -13.073 10.803 -1.260 1.00 0.00 O ATOM 722 OE2 GLU A 48 -13.393 8.968 -0.039 1.00 0.00 O ATOM 0 H GLU A 48 -10.479 6.856 -0.445 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.494 7.328 -3.020 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.959 9.278 -2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.769 7.891 -2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.879 8.809 0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.604 10.306 -0.863 1.00 0.00 H new ATOM 729 N ASP A 49 -8.222 9.210 -0.656 1.00 0.00 N ATOM 730 CA ASP A 49 -7.145 10.135 -0.345 1.00 0.00 C ATOM 731 C ASP A 49 -5.816 9.376 -0.331 1.00 0.00 C ATOM 732 O ASP A 49 -4.754 9.979 -0.182 1.00 0.00 O ATOM 733 CB ASP A 49 -7.343 10.767 1.034 1.00 0.00 C ATOM 734 CG ASP A 49 -8.595 11.636 1.173 1.00 0.00 C ATOM 735 OD1 ASP A 49 -8.960 12.272 0.161 1.00 0.00 O ATOM 736 OD2 ASP A 49 -9.159 11.644 2.289 1.00 0.00 O ATOM 0 H ASP A 49 -8.759 8.893 0.151 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.143 10.918 -1.103 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.386 9.972 1.779 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.469 11.375 1.267 1.00 0.00 H new ATOM 741 N LEU A 50 -5.918 8.064 -0.487 1.00 0.00 N ATOM 742 CA LEU A 50 -4.738 7.217 -0.493 1.00 0.00 C ATOM 743 C LEU A 50 -4.461 6.748 -1.923 1.00 0.00 C ATOM 744 O LEU A 50 -5.183 7.109 -2.850 1.00 0.00 O ATOM 745 CB LEU A 50 -4.894 6.073 0.510 1.00 0.00 C ATOM 746 CG LEU A 50 -5.104 6.484 1.969 1.00 0.00 C ATOM 747 CD1 LEU A 50 -5.049 5.268 2.895 1.00 0.00 C ATOM 748 CD2 LEU A 50 -4.104 7.566 2.383 1.00 0.00 C ATOM 0 H LEU A 50 -6.800 7.567 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.863 7.779 -0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.739 5.458 0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.005 5.444 0.455 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.101 6.914 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.201 5.588 3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.831 4.562 2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.076 4.786 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.275 7.840 3.424 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.089 7.186 2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.235 8.444 1.750 1.00 0.00 H new ATOM 760 N ALA A 51 -3.412 5.949 -2.056 1.00 0.00 N ATOM 761 CA ALA A 51 -3.030 5.426 -3.357 1.00 0.00 C ATOM 762 C ALA A 51 -1.992 4.318 -3.172 1.00 0.00 C ATOM 763 O ALA A 51 -1.198 4.357 -2.233 1.00 0.00 O ATOM 764 CB ALA A 51 -2.514 6.568 -4.235 1.00 0.00 C ATOM 0 H ALA A 51 -2.815 5.651 -1.284 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.891 4.989 -3.863 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.227 6.176 -5.211 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.299 7.314 -4.360 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.648 7.029 -3.761 1.00 0.00 H new ATOM 770 N LEU A 52 -2.031 3.356 -4.082 1.00 0.00 N ATOM 771 CA LEU A 52 -1.104 2.239 -4.031 1.00 0.00 C ATOM 772 C LEU A 52 0.215 2.646 -4.691 1.00 0.00 C ATOM 773 O LEU A 52 0.239 3.012 -5.866 1.00 0.00 O ATOM 774 CB LEU A 52 -1.737 0.988 -4.643 1.00 0.00 C ATOM 775 CG LEU A 52 -2.948 0.418 -3.901 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.894 0.768 -2.413 1.00 0.00 C ATOM 777 CD2 LEU A 52 -4.255 0.877 -4.551 1.00 0.00 C ATOM 0 H LEU A 52 -2.691 3.327 -4.859 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.877 1.980 -2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.038 1.220 -5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.974 0.212 -4.704 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.915 -0.669 -3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.766 0.351 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.988 0.351 -1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.890 1.851 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.100 0.458 -4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.311 1.965 -4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.287 0.535 -5.586 1.00 0.00 H new ATOM 789 N VAL A 53 1.281 2.568 -3.908 1.00 0.00 N ATOM 790 CA VAL A 53 2.600 2.924 -4.402 1.00 0.00 C ATOM 791 C VAL A 53 3.431 1.653 -4.587 1.00 0.00 C ATOM 792 O VAL A 53 3.279 0.693 -3.833 1.00 0.00 O ATOM 793 CB VAL A 53 3.256 3.935 -3.460 1.00 0.00 C ATOM 794 CG1 VAL A 53 4.765 4.014 -3.705 1.00 0.00 C ATOM 795 CG2 VAL A 53 2.606 5.314 -3.596 1.00 0.00 C ATOM 0 H VAL A 53 1.258 2.263 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 53 2.525 3.408 -5.376 1.00 0.00 H new ATOM 0 HB VAL A 53 3.100 3.590 -2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.207 4.740 -3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.213 3.035 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.951 4.323 -4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.091 6.014 -2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.716 5.669 -4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.547 5.243 -3.349 1.00 0.00 H new ATOM 805 N ALA A 54 4.291 1.687 -5.594 1.00 0.00 N ATOM 806 CA ALA A 54 5.146 0.550 -5.887 1.00 0.00 C ATOM 807 C ALA A 54 6.609 0.956 -5.703 1.00 0.00 C ATOM 808 O ALA A 54 7.035 1.999 -6.199 1.00 0.00 O ATOM 809 CB ALA A 54 4.855 0.043 -7.301 1.00 0.00 C ATOM 0 H ALA A 54 4.414 2.485 -6.218 1.00 0.00 H new ATOM 0 HA ALA A 54 4.943 -0.270 -5.198 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.497 -0.810 -7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.811 -0.261 -7.371 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.050 0.839 -8.020 1.00 0.00 H new ATOM 815 N ILE A 55 7.340 0.112 -4.990 1.00 0.00 N ATOM 816 CA ILE A 55 8.747 0.370 -4.734 1.00 0.00 C ATOM 817 C ILE A 55 9.583 -0.775 -5.308 1.00 0.00 C ATOM 818 O ILE A 55 9.667 -1.847 -4.712 1.00 0.00 O ATOM 819 CB ILE A 55 8.984 0.617 -3.243 1.00 0.00 C ATOM 820 CG1 ILE A 55 7.959 1.605 -2.681 1.00 0.00 C ATOM 821 CG2 ILE A 55 10.421 1.074 -2.985 1.00 0.00 C ATOM 822 CD1 ILE A 55 8.577 2.994 -2.503 1.00 0.00 C ATOM 0 H ILE A 55 6.984 -0.752 -4.581 1.00 0.00 H new ATOM 0 HA ILE A 55 9.065 1.282 -5.239 1.00 0.00 H new ATOM 0 HB ILE A 55 8.846 -0.326 -2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.103 1.667 -3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.587 1.243 -1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.563 1.243 -1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.114 0.305 -3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.611 2.000 -3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.828 3.677 -2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.418 2.932 -1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.926 3.363 -3.467 1.00 0.00 H new ATOM 834 N THR A 56 10.182 -0.508 -6.460 1.00 0.00 N ATOM 835 CA THR A 56 11.009 -1.503 -7.122 1.00 0.00 C ATOM 836 C THR A 56 12.210 -1.865 -6.246 1.00 0.00 C ATOM 837 O THR A 56 12.626 -1.075 -5.400 1.00 0.00 O ATOM 838 CB THR A 56 11.401 -0.955 -8.495 1.00 0.00 C ATOM 839 OG1 THR A 56 12.137 -2.017 -9.096 1.00 0.00 O ATOM 840 CG2 THR A 56 12.409 0.192 -8.402 1.00 0.00 C ATOM 0 H THR A 56 10.111 0.383 -6.952 1.00 0.00 H new ATOM 0 HA THR A 56 10.463 -2.435 -7.273 1.00 0.00 H new ATOM 0 HB THR A 56 10.508 -0.611 -9.017 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.429 -1.747 -9.992 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.653 0.544 -9.404 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.977 1.010 -7.825 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.316 -0.160 -7.910 1.00 0.00 H new ATOM 848 N PHE A 57 12.735 -3.059 -6.481 1.00 0.00 N ATOM 849 CA PHE A 57 13.880 -3.535 -5.724 1.00 0.00 C ATOM 850 C PHE A 57 15.060 -2.568 -5.849 1.00 0.00 C ATOM 851 O PHE A 57 15.795 -2.604 -6.834 1.00 0.00 O ATOM 852 CB PHE A 57 14.279 -4.887 -6.319 1.00 0.00 C ATOM 853 CG PHE A 57 14.835 -4.801 -7.742 1.00 0.00 C ATOM 854 CD1 PHE A 57 13.986 -4.748 -8.803 1.00 0.00 C ATOM 855 CD2 PHE A 57 16.180 -4.777 -7.946 1.00 0.00 C ATOM 856 CE1 PHE A 57 14.502 -4.668 -10.123 1.00 0.00 C ATOM 857 CE2 PHE A 57 16.696 -4.697 -9.266 1.00 0.00 C ATOM 858 CZ PHE A 57 15.847 -4.644 -10.327 1.00 0.00 C ATOM 0 H PHE A 57 12.388 -3.711 -7.185 1.00 0.00 H new ATOM 0 HA PHE A 57 13.621 -3.616 -4.668 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.027 -5.349 -5.675 1.00 0.00 H new ATOM 0 HB3 PHE A 57 13.409 -5.543 -6.319 1.00 0.00 H new ATOM 0 HD1 PHE A 57 12.918 -4.767 -8.641 1.00 0.00 H new ATOM 0 HD2 PHE A 57 16.855 -4.819 -7.104 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.827 -4.626 -10.965 1.00 0.00 H new ATOM 0 HE2 PHE A 57 17.764 -4.678 -9.428 1.00 0.00 H new ATOM 0 HZ PHE A 57 16.240 -4.583 -11.331 1.00 0.00 H new ATOM 868 N SER A 58 15.204 -1.727 -4.836 1.00 0.00 N ATOM 869 CA SER A 58 16.281 -0.752 -4.820 1.00 0.00 C ATOM 870 C SER A 58 15.894 0.442 -3.945 1.00 0.00 C ATOM 871 O SER A 58 16.469 0.646 -2.877 1.00 0.00 O ATOM 872 CB SER A 58 16.622 -0.284 -6.236 1.00 0.00 C ATOM 873 OG SER A 58 17.693 -1.034 -6.803 1.00 0.00 O ATOM 0 H SER A 58 14.593 -1.700 -4.020 1.00 0.00 H new ATOM 0 HA SER A 58 17.167 -1.229 -4.401 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.740 -0.375 -6.870 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.891 0.772 -6.214 1.00 0.00 H new ATOM 0 HG SER A 58 17.337 -1.838 -7.234 1.00 0.00 H new ATOM 879 N GLY A 59 14.921 1.199 -4.430 1.00 0.00 N ATOM 880 CA GLY A 59 14.450 2.368 -3.706 1.00 0.00 C ATOM 881 C GLY A 59 13.844 3.398 -4.662 1.00 0.00 C ATOM 882 O GLY A 59 14.383 4.491 -4.824 1.00 0.00 O ATOM 0 H GLY A 59 14.446 1.026 -5.316 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.705 2.068 -2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.277 2.818 -3.158 1.00 0.00 H new ATOM 886 N GLU A 60 12.732 3.012 -5.270 1.00 0.00 N ATOM 887 CA GLU A 60 12.048 3.888 -6.205 1.00 0.00 C ATOM 888 C GLU A 60 10.534 3.691 -6.106 1.00 0.00 C ATOM 889 O GLU A 60 9.998 2.703 -6.606 1.00 0.00 O ATOM 890 CB GLU A 60 12.539 3.655 -7.635 1.00 0.00 C ATOM 891 CG GLU A 60 13.824 4.439 -7.909 1.00 0.00 C ATOM 892 CD GLU A 60 14.110 4.515 -9.410 1.00 0.00 C ATOM 893 OE1 GLU A 60 13.604 5.471 -10.036 1.00 0.00 O ATOM 894 OE2 GLU A 60 14.828 3.615 -9.897 1.00 0.00 O ATOM 0 H GLU A 60 12.288 2.104 -5.133 1.00 0.00 H new ATOM 0 HA GLU A 60 12.279 4.920 -5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.717 2.591 -7.793 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.767 3.957 -8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.734 5.446 -7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.661 3.962 -7.399 1.00 0.00 H new ATOM 901 N LYS A 61 9.886 4.648 -5.457 1.00 0.00 N ATOM 902 CA LYS A 61 8.444 4.592 -5.286 1.00 0.00 C ATOM 903 C LYS A 61 7.764 5.092 -6.562 1.00 0.00 C ATOM 904 O LYS A 61 8.282 5.978 -7.240 1.00 0.00 O ATOM 905 CB LYS A 61 8.024 5.353 -4.027 1.00 0.00 C ATOM 906 CG LYS A 61 7.856 6.845 -4.318 1.00 0.00 C ATOM 907 CD LYS A 61 8.339 7.692 -3.139 1.00 0.00 C ATOM 908 CE LYS A 61 9.821 8.042 -3.287 1.00 0.00 C ATOM 909 NZ LYS A 61 10.207 9.085 -2.311 1.00 0.00 N ATOM 0 H LYS A 61 10.333 5.466 -5.043 1.00 0.00 H new ATOM 0 HA LYS A 61 8.118 3.563 -5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.087 4.945 -3.647 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.772 5.213 -3.247 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.417 7.110 -5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.808 7.063 -4.522 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.750 8.607 -3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.181 7.149 -2.207 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.428 7.150 -3.134 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.019 8.393 -4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.216 9.311 -2.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.640 9.941 -2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.037 8.737 -1.346 1.00 0.00 H new ATOM 923 N HIS A 62 6.613 4.502 -6.851 1.00 0.00 N ATOM 924 CA HIS A 62 5.856 4.877 -8.033 1.00 0.00 C ATOM 925 C HIS A 62 4.359 4.799 -7.730 1.00 0.00 C ATOM 926 O HIS A 62 3.945 4.105 -6.803 1.00 0.00 O ATOM 927 CB HIS A 62 6.264 4.019 -9.233 1.00 0.00 C ATOM 928 CG HIS A 62 6.110 4.713 -10.565 1.00 0.00 C ATOM 929 ND1 HIS A 62 6.842 5.835 -10.915 1.00 0.00 N ATOM 930 CD2 HIS A 62 5.302 4.434 -11.628 1.00 0.00 C ATOM 931 CE1 HIS A 62 6.482 6.205 -12.135 1.00 0.00 C ATOM 932 NE2 HIS A 62 5.527 5.336 -12.575 1.00 0.00 N ATOM 0 H HIS A 62 6.187 3.767 -6.287 1.00 0.00 H new ATOM 0 HA HIS A 62 6.083 5.908 -8.303 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.303 3.714 -9.112 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.663 3.109 -9.237 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.598 3.617 -11.689 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.876 7.047 -12.685 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.062 5.373 -13.482 1.00 0.00 H new ATOM 940 N GLU A 63 3.587 5.520 -8.530 1.00 0.00 N ATOM 941 CA GLU A 63 2.145 5.542 -8.360 1.00 0.00 C ATOM 942 C GLU A 63 1.461 4.829 -9.528 1.00 0.00 C ATOM 943 O GLU A 63 1.763 5.103 -10.689 1.00 0.00 O ATOM 944 CB GLU A 63 1.631 6.976 -8.216 1.00 0.00 C ATOM 945 CG GLU A 63 0.105 7.003 -8.106 1.00 0.00 C ATOM 946 CD GLU A 63 -0.502 7.953 -9.140 1.00 0.00 C ATOM 947 OE1 GLU A 63 -0.403 9.178 -8.911 1.00 0.00 O ATOM 948 OE2 GLU A 63 -1.051 7.433 -10.135 1.00 0.00 O ATOM 0 H GLU A 63 3.934 6.094 -9.299 1.00 0.00 H new ATOM 0 HA GLU A 63 1.900 5.009 -7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.071 7.437 -7.332 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.948 7.568 -9.075 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.292 5.998 -8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.185 7.317 -7.103 1.00 0.00 H new ATOM 955 N LEU A 64 0.553 3.929 -9.181 1.00 0.00 N ATOM 956 CA LEU A 64 -0.176 3.175 -10.187 1.00 0.00 C ATOM 957 C LEU A 64 -1.630 3.650 -10.220 1.00 0.00 C ATOM 958 O LEU A 64 -1.932 4.765 -9.798 1.00 0.00 O ATOM 959 CB LEU A 64 -0.025 1.672 -9.944 1.00 0.00 C ATOM 960 CG LEU A 64 1.204 1.243 -9.140 1.00 0.00 C ATOM 961 CD1 LEU A 64 0.890 1.195 -7.643 1.00 0.00 C ATOM 962 CD2 LEU A 64 1.757 -0.089 -9.652 1.00 0.00 C ATOM 0 H LEU A 64 0.305 3.705 -8.217 1.00 0.00 H new ATOM 0 HA LEU A 64 0.242 3.358 -11.177 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.916 1.316 -9.426 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.004 1.169 -10.910 1.00 0.00 H new ATOM 0 HG LEU A 64 1.984 1.991 -9.282 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.780 0.887 -7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.579 2.183 -7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.087 0.480 -7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.630 -0.371 -9.063 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.992 -0.860 -9.559 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.043 0.014 -10.699 1.00 0.00 H new ATOM 974 N GLN A 65 -2.492 2.780 -10.725 1.00 0.00 N ATOM 975 CA GLN A 65 -3.907 3.096 -10.819 1.00 0.00 C ATOM 976 C GLN A 65 -4.707 2.249 -9.827 1.00 0.00 C ATOM 977 O GLN A 65 -4.213 1.239 -9.328 1.00 0.00 O ATOM 978 CB GLN A 65 -4.420 2.899 -12.247 1.00 0.00 C ATOM 979 CG GLN A 65 -4.169 4.146 -13.097 1.00 0.00 C ATOM 980 CD GLN A 65 -5.464 4.634 -13.750 1.00 0.00 C ATOM 981 OE1 GLN A 65 -5.974 4.048 -14.691 1.00 0.00 O ATOM 982 NE2 GLN A 65 -5.966 5.735 -13.200 1.00 0.00 N ATOM 0 H GLN A 65 -2.238 1.856 -11.074 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.042 4.147 -10.562 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.925 2.040 -12.700 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.487 2.677 -12.227 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.751 4.937 -12.474 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.431 3.923 -13.867 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.488 6.176 -12.414 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.829 6.139 -13.564 1.00 0.00 H new ATOM 991 N PRO A 66 -5.961 2.704 -9.564 1.00 0.00 N ATOM 992 CA PRO A 66 -6.834 1.999 -8.641 1.00 0.00 C ATOM 993 C PRO A 66 -7.392 0.725 -9.278 1.00 0.00 C ATOM 994 O PRO A 66 -8.080 -0.053 -8.619 1.00 0.00 O ATOM 995 CB PRO A 66 -7.916 3.003 -8.278 1.00 0.00 C ATOM 996 CG PRO A 66 -7.874 4.070 -9.360 1.00 0.00 C ATOM 997 CD PRO A 66 -6.580 3.896 -10.137 1.00 0.00 C ATOM 0 HA PRO A 66 -6.312 1.655 -7.748 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.895 2.525 -8.238 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.733 3.436 -7.295 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.733 3.974 -10.024 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -7.922 5.065 -8.917 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.772 3.769 -11.202 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.934 4.768 -10.031 1.00 0.00 H new ATOM 1005 N ASN A 67 -7.074 0.550 -10.552 1.00 0.00 N ATOM 1006 CA ASN A 67 -7.534 -0.617 -11.286 1.00 0.00 C ATOM 1007 C ASN A 67 -6.333 -1.490 -11.652 1.00 0.00 C ATOM 1008 O ASN A 67 -6.403 -2.288 -12.586 1.00 0.00 O ATOM 1009 CB ASN A 67 -8.236 -0.210 -12.583 1.00 0.00 C ATOM 1010 CG ASN A 67 -9.734 0.000 -12.353 1.00 0.00 C ATOM 1011 OD1 ASN A 67 -10.529 -0.926 -12.381 1.00 0.00 O ATOM 1012 ND2 ASN A 67 -10.075 1.265 -12.125 1.00 0.00 N ATOM 0 H ASN A 67 -6.503 1.197 -11.095 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.235 -1.160 -10.652 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.792 0.707 -12.969 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.085 -0.980 -13.340 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.052 1.508 -11.960 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.360 1.992 -12.115 1.00 0.00 H new ATOM 1019 N ASP A 68 -5.259 -1.310 -10.898 1.00 0.00 N ATOM 1020 CA ASP A 68 -4.044 -2.072 -11.132 1.00 0.00 C ATOM 1021 C ASP A 68 -4.087 -3.359 -10.306 1.00 0.00 C ATOM 1022 O ASP A 68 -4.293 -3.317 -9.094 1.00 0.00 O ATOM 1023 CB ASP A 68 -2.806 -1.279 -10.707 1.00 0.00 C ATOM 1024 CG ASP A 68 -1.478 -1.815 -11.245 1.00 0.00 C ATOM 1025 OD1 ASP A 68 -1.239 -3.028 -11.060 1.00 0.00 O ATOM 1026 OD2 ASP A 68 -0.732 -1.000 -11.829 1.00 0.00 O ATOM 0 H ASP A 68 -5.205 -0.648 -10.124 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.984 -2.291 -12.198 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.924 -0.247 -11.036 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.760 -1.263 -9.618 1.00 0.00 H new ATOM 1031 N LEU A 69 -3.891 -4.473 -10.996 1.00 0.00 N ATOM 1032 CA LEU A 69 -3.905 -5.771 -10.341 1.00 0.00 C ATOM 1033 C LEU A 69 -2.747 -5.847 -9.345 1.00 0.00 C ATOM 1034 O LEU A 69 -1.639 -6.242 -9.705 1.00 0.00 O ATOM 1035 CB LEU A 69 -3.899 -6.894 -11.380 1.00 0.00 C ATOM 1036 CG LEU A 69 -5.250 -7.227 -12.017 1.00 0.00 C ATOM 1037 CD1 LEU A 69 -6.286 -7.584 -10.950 1.00 0.00 C ATOM 1038 CD2 LEU A 69 -5.726 -6.086 -12.919 1.00 0.00 C ATOM 0 H LEU A 69 -3.722 -4.504 -12.001 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.825 -5.901 -9.770 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.202 -6.624 -12.174 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.510 -7.796 -10.908 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.123 -8.106 -12.649 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.237 -7.816 -11.429 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.943 -8.451 -10.385 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.418 -6.739 -10.274 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.688 -6.348 -13.360 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.833 -5.176 -12.329 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.997 -5.921 -13.712 1.00 0.00 H new ATOM 1050 N VAL A 70 -3.043 -5.464 -8.112 1.00 0.00 N ATOM 1051 CA VAL A 70 -2.040 -5.484 -7.061 1.00 0.00 C ATOM 1052 C VAL A 70 -1.156 -6.722 -7.229 1.00 0.00 C ATOM 1053 O VAL A 70 0.066 -6.636 -7.121 1.00 0.00 O ATOM 1054 CB VAL A 70 -2.716 -5.414 -5.690 1.00 0.00 C ATOM 1055 CG1 VAL A 70 -2.770 -3.973 -5.178 1.00 0.00 C ATOM 1056 CG2 VAL A 70 -4.115 -6.032 -5.737 1.00 0.00 C ATOM 0 H VAL A 70 -3.963 -5.138 -7.817 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.393 -4.610 -7.134 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.116 -5.996 -4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.255 -3.952 -4.202 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.757 -3.581 -5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.336 -3.359 -5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.574 -5.970 -4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.728 -5.490 -6.457 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.041 -7.077 -6.037 1.00 0.00 H new ATOM 1066 N ILE A 71 -1.809 -7.845 -7.490 1.00 0.00 N ATOM 1067 CA ILE A 71 -1.098 -9.098 -7.674 1.00 0.00 C ATOM 1068 C ILE A 71 -0.152 -8.972 -8.870 1.00 0.00 C ATOM 1069 O ILE A 71 1.044 -9.235 -8.750 1.00 0.00 O ATOM 1070 CB ILE A 71 -2.085 -10.262 -7.792 1.00 0.00 C ATOM 1071 CG1 ILE A 71 -1.350 -11.603 -7.822 1.00 0.00 C ATOM 1072 CG2 ILE A 71 -3.002 -10.083 -9.003 1.00 0.00 C ATOM 1073 CD1 ILE A 71 -2.207 -12.683 -8.487 1.00 0.00 C ATOM 0 H ILE A 71 -2.823 -7.913 -7.578 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.483 -9.318 -6.801 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.720 -10.263 -6.906 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.410 -11.495 -8.364 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.099 -11.907 -6.806 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.693 -10.924 -9.063 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.566 -9.156 -8.898 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.401 -10.041 -9.911 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.661 -13.627 -8.495 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.135 -12.806 -7.929 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.436 -12.387 -9.511 1.00 0.00 H new ATOM 1085 N SER A 72 -0.722 -8.570 -9.996 1.00 0.00 N ATOM 1086 CA SER A 72 0.056 -8.406 -11.212 1.00 0.00 C ATOM 1087 C SER A 72 1.346 -7.642 -10.908 1.00 0.00 C ATOM 1088 O SER A 72 1.394 -6.843 -9.974 1.00 0.00 O ATOM 1089 CB SER A 72 -0.752 -7.677 -12.288 1.00 0.00 C ATOM 1090 OG SER A 72 0.045 -7.351 -13.424 1.00 0.00 O ATOM 0 H SER A 72 -1.714 -8.353 -10.092 1.00 0.00 H new ATOM 0 HA SER A 72 0.308 -9.395 -11.593 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.589 -8.302 -12.599 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.175 -6.765 -11.868 1.00 0.00 H new ATOM 0 HG SER A 72 -0.507 -6.888 -14.089 1.00 0.00 H new ATOM 1096 N LYS A 73 2.361 -7.914 -11.715 1.00 0.00 N ATOM 1097 CA LYS A 73 3.648 -7.262 -11.545 1.00 0.00 C ATOM 1098 C LYS A 73 4.600 -7.725 -12.650 1.00 0.00 C ATOM 1099 O LYS A 73 4.915 -8.910 -12.747 1.00 0.00 O ATOM 1100 CB LYS A 73 4.186 -7.499 -10.132 1.00 0.00 C ATOM 1101 CG LYS A 73 4.589 -6.180 -9.471 1.00 0.00 C ATOM 1102 CD LYS A 73 5.561 -5.397 -10.356 1.00 0.00 C ATOM 1103 CE LYS A 73 5.197 -3.911 -10.389 1.00 0.00 C ATOM 1104 NZ LYS A 73 6.414 -3.083 -10.551 1.00 0.00 N ATOM 0 H LYS A 73 2.318 -8.577 -12.489 1.00 0.00 H new ATOM 0 HA LYS A 73 3.543 -6.182 -11.645 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.426 -7.995 -9.528 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.046 -8.167 -10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.700 -5.578 -9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.052 -6.380 -8.505 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.577 -5.518 -9.981 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.544 -5.802 -11.368 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.506 -3.718 -11.210 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.683 -3.636 -9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.172 -2.080 -10.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.122 -3.364 -9.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.804 -3.222 -11.505 1.00 0.00 H new ATOM 1118 N SER A 74 5.031 -6.765 -13.456 1.00 0.00 N ATOM 1119 CA SER A 74 5.940 -7.059 -14.551 1.00 0.00 C ATOM 1120 C SER A 74 7.056 -7.989 -14.069 1.00 0.00 C ATOM 1121 O SER A 74 7.065 -9.175 -14.396 1.00 0.00 O ATOM 1122 CB SER A 74 6.533 -5.775 -15.134 1.00 0.00 C ATOM 1123 OG SER A 74 6.548 -5.793 -16.559 1.00 0.00 O ATOM 0 H SER A 74 4.767 -5.783 -13.372 1.00 0.00 H new ATOM 0 HA SER A 74 5.376 -7.557 -15.340 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.954 -4.919 -14.788 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.549 -5.644 -14.762 1.00 0.00 H new ATOM 0 HG SER A 74 6.932 -4.955 -16.893 1.00 0.00 H new ATOM 1129 N LEU A 75 7.969 -7.415 -13.300 1.00 0.00 N ATOM 1130 CA LEU A 75 9.087 -8.178 -12.770 1.00 0.00 C ATOM 1131 C LEU A 75 9.888 -7.298 -11.809 1.00 0.00 C ATOM 1132 O LEU A 75 10.172 -6.140 -12.111 1.00 0.00 O ATOM 1133 CB LEU A 75 9.923 -8.764 -13.909 1.00 0.00 C ATOM 1134 CG LEU A 75 10.915 -7.808 -14.575 1.00 0.00 C ATOM 1135 CD1 LEU A 75 10.208 -6.548 -15.078 1.00 0.00 C ATOM 1136 CD2 LEU A 75 12.074 -7.477 -13.632 1.00 0.00 C ATOM 0 H LEU A 75 7.958 -6.431 -13.031 1.00 0.00 H new ATOM 0 HA LEU A 75 8.728 -9.033 -12.197 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.477 -9.620 -13.523 1.00 0.00 H new ATOM 0 HB3 LEU A 75 9.244 -9.142 -14.674 1.00 0.00 H new ATOM 0 HG LEU A 75 11.340 -8.308 -15.445 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.935 -5.885 -15.547 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.446 -6.825 -15.807 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.738 -6.035 -14.239 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.765 -6.796 -14.129 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.685 -7.005 -12.730 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.599 -8.394 -13.364 1.00 0.00 H new ATOM 1148 N GLU A 76 10.231 -7.881 -10.669 1.00 0.00 N ATOM 1149 CA GLU A 76 10.994 -7.165 -9.662 1.00 0.00 C ATOM 1150 C GLU A 76 11.301 -8.082 -8.476 1.00 0.00 C ATOM 1151 O GLU A 76 10.488 -8.934 -8.119 1.00 0.00 O ATOM 1152 CB GLU A 76 10.253 -5.907 -9.204 1.00 0.00 C ATOM 1153 CG GLU A 76 9.200 -6.245 -8.147 1.00 0.00 C ATOM 1154 CD GLU A 76 8.506 -4.979 -7.640 1.00 0.00 C ATOM 1155 OE1 GLU A 76 9.142 -4.267 -6.835 1.00 0.00 O ATOM 1156 OE2 GLU A 76 7.354 -4.753 -8.070 1.00 0.00 O ATOM 0 H GLU A 76 9.994 -8.842 -10.421 1.00 0.00 H new ATOM 0 HA GLU A 76 11.938 -6.850 -10.106 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.965 -5.189 -8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.775 -5.431 -10.060 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.460 -6.925 -8.570 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.671 -6.765 -7.313 1.00 0.00 H new ATOM 1163 N ALA A 77 12.476 -7.878 -7.899 1.00 0.00 N ATOM 1164 CA ALA A 77 12.900 -8.676 -6.762 1.00 0.00 C ATOM 1165 C ALA A 77 12.027 -8.337 -5.553 1.00 0.00 C ATOM 1166 O ALA A 77 12.104 -7.233 -5.016 1.00 0.00 O ATOM 1167 CB ALA A 77 14.387 -8.433 -6.493 1.00 0.00 C ATOM 0 H ALA A 77 13.148 -7.171 -8.198 1.00 0.00 H new ATOM 0 HA ALA A 77 12.776 -9.738 -6.972 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.705 -9.032 -5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.967 -8.716 -7.371 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.550 -7.377 -6.276 1.00 0.00 H new ATOM 1173 N SER A 78 11.215 -9.308 -5.159 1.00 0.00 N ATOM 1174 CA SER A 78 10.327 -9.126 -4.023 1.00 0.00 C ATOM 1175 C SER A 78 9.525 -7.834 -4.187 1.00 0.00 C ATOM 1176 O SER A 78 10.010 -6.752 -3.861 1.00 0.00 O ATOM 1177 CB SER A 78 11.112 -9.100 -2.710 1.00 0.00 C ATOM 1178 OG SER A 78 10.291 -8.733 -1.605 1.00 0.00 O ATOM 0 H SER A 78 11.154 -10.223 -5.606 1.00 0.00 H new ATOM 0 HA SER A 78 9.639 -9.971 -3.988 1.00 0.00 H new ATOM 0 HB2 SER A 78 11.547 -10.083 -2.528 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.940 -8.396 -2.796 1.00 0.00 H new ATOM 0 HG SER A 78 10.828 -8.729 -0.785 1.00 0.00 H new ATOM 1184 N GLY A 79 8.310 -7.990 -4.692 1.00 0.00 N ATOM 1185 CA GLY A 79 7.435 -6.849 -4.903 1.00 0.00 C ATOM 1186 C GLY A 79 6.685 -6.488 -3.620 1.00 0.00 C ATOM 1187 O GLY A 79 6.081 -7.352 -2.985 1.00 0.00 O ATOM 0 H GLY A 79 7.911 -8.889 -4.961 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.022 -5.994 -5.238 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.721 -7.076 -5.694 1.00 0.00 H new ATOM 1191 N ARG A 80 6.748 -5.210 -3.275 1.00 0.00 N ATOM 1192 CA ARG A 80 6.082 -4.724 -2.078 1.00 0.00 C ATOM 1193 C ARG A 80 5.281 -3.460 -2.393 1.00 0.00 C ATOM 1194 O ARG A 80 5.855 -2.419 -2.709 1.00 0.00 O ATOM 1195 CB ARG A 80 7.093 -4.416 -0.972 1.00 0.00 C ATOM 1196 CG ARG A 80 7.254 -5.610 -0.029 1.00 0.00 C ATOM 1197 CD ARG A 80 8.727 -5.845 0.312 1.00 0.00 C ATOM 1198 NE ARG A 80 9.391 -4.556 0.605 1.00 0.00 N ATOM 1199 CZ ARG A 80 10.136 -3.877 -0.278 1.00 0.00 C ATOM 1200 NH1 ARG A 80 10.316 -4.360 -1.515 1.00 0.00 N ATOM 1201 NH2 ARG A 80 10.701 -2.714 0.075 1.00 0.00 N ATOM 0 H ARG A 80 7.250 -4.496 -3.803 1.00 0.00 H new ATOM 0 HA ARG A 80 5.409 -5.508 -1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.057 -4.165 -1.415 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.765 -3.543 -0.407 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.689 -5.434 0.886 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.838 -6.504 -0.494 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.808 -6.509 1.173 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.227 -6.340 -0.521 1.00 0.00 H new ATOM 0 HE ARG A 80 9.274 -4.159 1.537 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.886 -5.245 -1.785 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.883 -3.843 -2.187 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.564 -2.345 1.016 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.268 -2.198 -0.597 1.00 0.00 H new ATOM 1215 N ILE A 81 3.966 -3.592 -2.297 1.00 0.00 N ATOM 1216 CA ILE A 81 3.079 -2.473 -2.567 1.00 0.00 C ATOM 1217 C ILE A 81 3.016 -1.568 -1.335 1.00 0.00 C ATOM 1218 O ILE A 81 3.106 -2.046 -0.205 1.00 0.00 O ATOM 1219 CB ILE A 81 1.711 -2.974 -3.033 1.00 0.00 C ATOM 1220 CG1 ILE A 81 1.849 -3.894 -4.248 1.00 0.00 C ATOM 1221 CG2 ILE A 81 0.762 -1.804 -3.305 1.00 0.00 C ATOM 1222 CD1 ILE A 81 2.630 -3.208 -5.370 1.00 0.00 C ATOM 0 H ILE A 81 3.493 -4.457 -2.036 1.00 0.00 H new ATOM 0 HA ILE A 81 3.467 -1.869 -3.387 1.00 0.00 H new ATOM 0 HB ILE A 81 1.272 -3.565 -2.229 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.357 -4.813 -3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.860 -4.177 -4.609 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.203 -2.188 -3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.629 -1.224 -2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.184 -1.166 -4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.713 -3.884 -6.221 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.107 -2.302 -5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.627 -2.949 -5.014 1.00 0.00 H new ATOM 1234 N TYR A 82 2.862 -0.278 -1.595 1.00 0.00 N ATOM 1235 CA TYR A 82 2.785 0.697 -0.520 1.00 0.00 C ATOM 1236 C TYR A 82 1.495 1.514 -0.612 1.00 0.00 C ATOM 1237 O TYR A 82 0.730 1.368 -1.564 1.00 0.00 O ATOM 1238 CB TYR A 82 3.981 1.632 -0.714 1.00 0.00 C ATOM 1239 CG TYR A 82 5.322 1.021 -0.302 1.00 0.00 C ATOM 1240 CD1 TYR A 82 5.771 -0.132 -0.912 1.00 0.00 C ATOM 1241 CD2 TYR A 82 6.081 1.623 0.681 1.00 0.00 C ATOM 1242 CE1 TYR A 82 7.033 -0.707 -0.524 1.00 0.00 C ATOM 1243 CE2 TYR A 82 7.343 1.047 1.069 1.00 0.00 C ATOM 1244 CZ TYR A 82 7.757 -0.089 0.447 1.00 0.00 C ATOM 1245 OH TYR A 82 8.948 -0.632 0.814 1.00 0.00 O ATOM 0 H TYR A 82 2.789 0.115 -2.534 1.00 0.00 H new ATOM 0 HA TYR A 82 2.794 0.200 0.450 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.034 1.925 -1.763 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.815 2.542 -0.137 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.176 -0.603 -1.680 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.729 2.525 1.159 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.396 -1.609 -0.994 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.947 1.507 1.837 1.00 0.00 H new ATOM 0 HH TYR A 82 9.355 -0.083 1.517 1.00 0.00 H new ATOM 1255 N VAL A 83 1.292 2.356 0.390 1.00 0.00 N ATOM 1256 CA VAL A 83 0.108 3.196 0.435 1.00 0.00 C ATOM 1257 C VAL A 83 0.486 4.576 0.976 1.00 0.00 C ATOM 1258 O VAL A 83 0.986 4.692 2.094 1.00 0.00 O ATOM 1259 CB VAL A 83 -0.989 2.512 1.254 1.00 0.00 C ATOM 1260 CG1 VAL A 83 -0.461 2.081 2.624 1.00 0.00 C ATOM 1261 CG2 VAL A 83 -2.212 3.419 1.398 1.00 0.00 C ATOM 0 H VAL A 83 1.929 2.475 1.178 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.296 3.340 -0.567 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.299 1.616 0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.260 1.598 3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.364 1.382 2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.111 2.956 3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.976 2.909 1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.924 4.341 1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.609 3.654 0.410 1.00 0.00 H new ATOM 1271 N TYR A 84 0.233 5.588 0.159 1.00 0.00 N ATOM 1272 CA TYR A 84 0.541 6.955 0.542 1.00 0.00 C ATOM 1273 C TYR A 84 -0.738 7.768 0.748 1.00 0.00 C ATOM 1274 O TYR A 84 -1.810 7.371 0.293 1.00 0.00 O ATOM 1275 CB TYR A 84 1.329 7.553 -0.625 1.00 0.00 C ATOM 1276 CG TYR A 84 2.774 7.057 -0.719 1.00 0.00 C ATOM 1277 CD1 TYR A 84 3.035 5.705 -0.809 1.00 0.00 C ATOM 1278 CD2 TYR A 84 3.815 7.963 -0.714 1.00 0.00 C ATOM 1279 CE1 TYR A 84 4.394 5.239 -0.898 1.00 0.00 C ATOM 1280 CE2 TYR A 84 5.175 7.496 -0.803 1.00 0.00 C ATOM 1281 CZ TYR A 84 5.397 6.157 -0.891 1.00 0.00 C ATOM 1282 OH TYR A 84 6.681 5.717 -0.975 1.00 0.00 O ATOM 0 H TYR A 84 -0.182 5.488 -0.767 1.00 0.00 H new ATOM 0 HA TYR A 84 1.100 6.974 1.477 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.814 7.318 -1.556 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.334 8.639 -0.528 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.220 4.997 -0.813 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.610 9.021 -0.643 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.612 4.184 -0.969 1.00 0.00 H new ATOM 0 HE2 TYR A 84 6.000 8.193 -0.800 1.00 0.00 H new ATOM 0 HH TYR A 84 6.750 4.829 -0.565 1.00 0.00 H new ATOM 1292 N ARG A 85 -0.584 8.891 1.434 1.00 0.00 N ATOM 1293 CA ARG A 85 -1.714 9.763 1.705 1.00 0.00 C ATOM 1294 C ARG A 85 -1.603 11.048 0.881 1.00 0.00 C ATOM 1295 O ARG A 85 -0.597 11.752 0.955 1.00 0.00 O ATOM 1296 CB ARG A 85 -1.787 10.124 3.190 1.00 0.00 C ATOM 1297 CG ARG A 85 -0.527 10.867 3.637 1.00 0.00 C ATOM 1298 CD ARG A 85 -0.848 12.316 4.009 1.00 0.00 C ATOM 1299 NE ARG A 85 0.076 12.784 5.066 1.00 0.00 N ATOM 1300 CZ ARG A 85 0.010 12.395 6.347 1.00 0.00 C ATOM 1301 NH1 ARG A 85 -0.935 11.529 6.736 1.00 0.00 N ATOM 1302 NH2 ARG A 85 0.890 12.871 7.238 1.00 0.00 N ATOM 0 H ARG A 85 0.306 9.217 1.810 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.621 9.226 1.427 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -2.664 10.745 3.374 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.908 9.217 3.783 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.084 10.358 4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.213 10.849 2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.760 12.954 3.129 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.879 12.391 4.356 1.00 0.00 H new ATOM 0 HE ARG A 85 0.809 13.443 4.803 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.604 11.166 6.057 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.985 11.233 7.711 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.610 13.530 6.942 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.840 12.575 8.213 1.00 0.00 H new ATOM 1316 N LYS A 86 -2.650 11.314 0.114 1.00 0.00 N ATOM 1317 CA LYS A 86 -2.683 12.501 -0.723 1.00 0.00 C ATOM 1318 C LYS A 86 -2.877 13.736 0.159 1.00 0.00 C ATOM 1319 O LYS A 86 -3.840 13.815 0.920 1.00 0.00 O ATOM 1320 CB LYS A 86 -3.741 12.355 -1.818 1.00 0.00 C ATOM 1321 CG LYS A 86 -3.219 11.500 -2.975 1.00 0.00 C ATOM 1322 CD LYS A 86 -3.897 11.887 -4.291 1.00 0.00 C ATOM 1323 CE LYS A 86 -2.876 12.424 -5.296 1.00 0.00 C ATOM 1324 NZ LYS A 86 -3.378 12.266 -6.680 1.00 0.00 N ATOM 0 H LYS A 86 -3.482 10.727 0.055 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.734 12.627 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.640 11.900 -1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.025 13.340 -2.188 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.140 11.625 -3.067 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.401 10.446 -2.764 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.405 11.019 -4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.660 12.643 -4.103 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.676 13.476 -5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.931 11.892 -5.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.673 12.635 -7.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.546 11.258 -6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.268 12.793 -6.789 1.00 0.00 H new ATOM 1338 N ASP A 87 -1.946 14.670 0.026 1.00 0.00 N ATOM 1339 CA ASP A 87 -2.003 15.898 0.801 1.00 0.00 C ATOM 1340 C ASP A 87 -0.826 16.795 0.413 1.00 0.00 C ATOM 1341 O ASP A 87 0.278 16.309 0.173 1.00 0.00 O ATOM 1342 CB ASP A 87 -1.901 15.608 2.300 1.00 0.00 C ATOM 1343 CG ASP A 87 -3.226 15.264 2.984 1.00 0.00 C ATOM 1344 OD1 ASP A 87 -4.095 16.162 3.021 1.00 0.00 O ATOM 1345 OD2 ASP A 87 -3.340 14.111 3.454 1.00 0.00 O ATOM 0 H ASP A 87 -1.149 14.601 -0.606 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.955 16.386 0.591 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.207 14.780 2.448 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.469 16.478 2.795 1.00 0.00 H new ATOM 1350 N LEU A 88 -1.103 18.090 0.362 1.00 0.00 N ATOM 1351 CA LEU A 88 -0.081 19.060 0.007 1.00 0.00 C ATOM 1352 C LEU A 88 0.423 18.768 -1.408 1.00 0.00 C ATOM 1353 O LEU A 88 0.934 17.682 -1.677 1.00 0.00 O ATOM 1354 CB LEU A 88 1.026 19.083 1.062 1.00 0.00 C ATOM 1355 CG LEU A 88 0.708 19.841 2.353 1.00 0.00 C ATOM 1356 CD1 LEU A 88 1.945 19.944 3.247 1.00 0.00 C ATOM 1357 CD2 LEU A 88 0.105 21.214 2.048 1.00 0.00 C ATOM 0 H LEU A 88 -2.020 18.490 0.561 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.499 20.067 -0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.275 18.054 1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.917 19.524 0.615 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.042 19.275 2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.692 20.487 4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.291 18.943 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.735 20.475 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.112 21.732 2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.814 21.801 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.817 21.088 1.480 1.00 0.00 H new ATOM 1369 N ALA A 89 0.261 19.757 -2.275 1.00 0.00 N ATOM 1370 CA ALA A 89 0.694 19.620 -3.655 1.00 0.00 C ATOM 1371 C ALA A 89 0.102 18.338 -4.246 1.00 0.00 C ATOM 1372 O ALA A 89 -0.696 17.663 -3.598 1.00 0.00 O ATOM 1373 CB ALA A 89 2.222 19.637 -3.716 1.00 0.00 C ATOM 0 H ALA A 89 -0.164 20.656 -2.048 1.00 0.00 H new ATOM 0 HA ALA A 89 0.335 20.457 -4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.546 19.534 -4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.592 20.579 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.619 18.810 -3.128 1.00 0.00 H new ATOM 1379 N ASP A 90 0.515 18.043 -5.469 1.00 0.00 N ATOM 1380 CA ASP A 90 0.035 16.854 -6.154 1.00 0.00 C ATOM 1381 C ASP A 90 1.056 15.727 -5.986 1.00 0.00 C ATOM 1382 O ASP A 90 1.434 15.077 -6.960 1.00 0.00 O ATOM 1383 CB ASP A 90 -0.139 17.115 -7.652 1.00 0.00 C ATOM 1384 CG ASP A 90 -1.456 17.789 -8.042 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -2.257 18.047 -7.118 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -1.631 18.031 -9.256 1.00 0.00 O ATOM 0 H ASP A 90 1.176 18.606 -6.004 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.927 16.580 -5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.686 17.739 -7.995 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.063 16.166 -8.182 1.00 0.00 H new ATOM 1391 N THR A 91 1.473 15.530 -4.744 1.00 0.00 N ATOM 1392 CA THR A 91 2.443 14.493 -4.436 1.00 0.00 C ATOM 1393 C THR A 91 1.811 13.419 -3.548 1.00 0.00 C ATOM 1394 O THR A 91 0.588 13.302 -3.484 1.00 0.00 O ATOM 1395 CB THR A 91 3.666 15.161 -3.805 1.00 0.00 C ATOM 1396 OG1 THR A 91 4.584 14.089 -3.607 1.00 0.00 O ATOM 1397 CG2 THR A 91 3.387 15.677 -2.392 1.00 0.00 C ATOM 0 H THR A 91 1.157 16.071 -3.939 1.00 0.00 H new ATOM 0 HA THR A 91 2.768 13.975 -5.338 1.00 0.00 H new ATOM 0 HB THR A 91 3.994 15.987 -4.436 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.490 14.390 -3.827 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.287 16.142 -1.990 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.583 16.412 -2.425 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.092 14.845 -1.753 1.00 0.00 H new ATOM 1405 N LEU A 92 2.673 12.663 -2.884 1.00 0.00 N ATOM 1406 CA LEU A 92 2.214 11.602 -2.003 1.00 0.00 C ATOM 1407 C LEU A 92 3.074 11.590 -0.737 1.00 0.00 C ATOM 1408 O LEU A 92 2.591 11.907 0.349 1.00 0.00 O ATOM 1409 CB LEU A 92 2.190 10.264 -2.743 1.00 0.00 C ATOM 1410 CG LEU A 92 0.913 9.954 -3.528 1.00 0.00 C ATOM 1411 CD1 LEU A 92 1.082 8.690 -4.372 1.00 0.00 C ATOM 1412 CD2 LEU A 92 -0.296 9.864 -2.595 1.00 0.00 C ATOM 0 H LEU A 92 3.687 12.764 -2.938 1.00 0.00 H new ATOM 0 HA LEU A 92 1.186 11.784 -1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.033 10.238 -3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.349 9.467 -2.017 1.00 0.00 H new ATOM 0 HG LEU A 92 0.727 10.778 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.161 8.492 -4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.901 8.831 -5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.306 7.845 -3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.190 9.643 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.134 9.071 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.427 10.814 -2.076 1.00 0.00 H new ATOM 1424 N ASN A 93 4.333 11.221 -0.920 1.00 0.00 N ATOM 1425 CA ASN A 93 5.265 11.163 0.194 1.00 0.00 C ATOM 1426 C ASN A 93 4.864 10.020 1.129 1.00 0.00 C ATOM 1427 O ASN A 93 3.682 9.829 1.411 1.00 0.00 O ATOM 1428 CB ASN A 93 5.242 12.463 1.000 1.00 0.00 C ATOM 1429 CG ASN A 93 5.089 13.676 0.079 1.00 0.00 C ATOM 1430 OD1 ASN A 93 4.355 14.610 0.356 1.00 0.00 O ATOM 1431 ND2 ASN A 93 5.822 13.609 -1.029 1.00 0.00 N ATOM 0 H ASN A 93 4.730 10.959 -1.822 1.00 0.00 H new ATOM 0 HA ASN A 93 6.265 11.008 -0.211 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.419 12.438 1.714 1.00 0.00 H new ATOM 0 HB3 ASN A 93 6.162 12.554 1.577 1.00 0.00 H new ATOM 0 HD21 ASN A 93 5.790 14.369 -1.708 1.00 0.00 H new ATOM 0 HD22 ASN A 93 6.416 12.797 -1.199 1.00 0.00 H new ATOM 1438 N PRO A 94 5.898 9.271 1.598 1.00 0.00 N ATOM 1439 CA PRO A 94 5.666 8.153 2.496 1.00 0.00 C ATOM 1440 C PRO A 94 5.336 8.642 3.907 1.00 0.00 C ATOM 1441 O PRO A 94 5.743 9.734 4.300 1.00 0.00 O ATOM 1442 CB PRO A 94 6.942 7.329 2.436 1.00 0.00 C ATOM 1443 CG PRO A 94 8.009 8.253 1.874 1.00 0.00 C ATOM 1444 CD PRO A 94 7.311 9.469 1.286 1.00 0.00 C ATOM 0 HA PRO A 94 4.805 7.551 2.205 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.220 6.968 3.426 1.00 0.00 H new ATOM 0 HB3 PRO A 94 6.811 6.452 1.802 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.704 8.554 2.658 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.593 7.741 1.109 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.688 10.393 1.725 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.473 9.537 0.210 1.00 0.00 H new ATOM 1452 N PHE A 95 4.601 7.810 4.631 1.00 0.00 N ATOM 1453 CA PHE A 95 4.212 8.144 5.990 1.00 0.00 C ATOM 1454 C PHE A 95 5.427 8.159 6.921 1.00 0.00 C ATOM 1455 O PHE A 95 6.523 7.769 6.522 1.00 0.00 O ATOM 1456 CB PHE A 95 3.240 7.059 6.457 1.00 0.00 C ATOM 1457 CG PHE A 95 1.769 7.382 6.187 1.00 0.00 C ATOM 1458 CD1 PHE A 95 1.120 8.292 6.962 1.00 0.00 C ATOM 1459 CD2 PHE A 95 1.112 6.761 5.172 1.00 0.00 C ATOM 1460 CE1 PHE A 95 -0.245 8.592 6.712 1.00 0.00 C ATOM 1461 CE2 PHE A 95 -0.254 7.061 4.921 1.00 0.00 C ATOM 1462 CZ PHE A 95 -0.903 7.970 5.696 1.00 0.00 C ATOM 0 H PHE A 95 4.265 6.905 4.301 1.00 0.00 H new ATOM 0 HA PHE A 95 3.758 9.135 6.014 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.492 6.122 5.961 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.376 6.900 7.527 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.643 8.786 7.767 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.628 6.039 4.556 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.761 9.314 7.328 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.776 6.567 4.115 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.941 8.199 5.505 1.00 0.00 H new ATOM 1472 N ALA A 96 5.190 8.614 8.142 1.00 0.00 N ATOM 1473 CA ALA A 96 6.251 8.685 9.133 1.00 0.00 C ATOM 1474 C ALA A 96 7.248 9.773 8.729 1.00 0.00 C ATOM 1475 O ALA A 96 8.300 9.478 8.164 1.00 0.00 O ATOM 1476 CB ALA A 96 6.912 7.312 9.272 1.00 0.00 C ATOM 0 H ALA A 96 4.279 8.937 8.468 1.00 0.00 H new ATOM 0 HA ALA A 96 5.847 8.953 10.109 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.708 7.365 10.015 1.00 0.00 H new ATOM 0 HB2 ALA A 96 6.168 6.580 9.588 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.331 7.011 8.312 1.00 0.00 H new ATOM 1482 N GLU A 97 6.881 11.009 9.035 1.00 0.00 N ATOM 1483 CA GLU A 97 7.730 12.143 8.712 1.00 0.00 C ATOM 1484 C GLU A 97 7.694 13.173 9.843 1.00 0.00 C ATOM 1485 O GLU A 97 6.830 13.111 10.716 1.00 0.00 O ATOM 1486 CB GLU A 97 7.316 12.776 7.381 1.00 0.00 C ATOM 1487 CG GLU A 97 8.198 12.272 6.237 1.00 0.00 C ATOM 1488 CD GLU A 97 9.537 13.012 6.211 1.00 0.00 C ATOM 1489 OE1 GLU A 97 9.551 14.142 5.676 1.00 0.00 O ATOM 1490 OE2 GLU A 97 10.517 12.431 6.726 1.00 0.00 O ATOM 0 H GLU A 97 6.007 11.250 9.503 1.00 0.00 H new ATOM 0 HA GLU A 97 8.754 11.786 8.605 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.273 12.541 7.171 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.390 13.861 7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.372 11.202 6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.683 12.412 5.287 1.00 0.00 H new ATOM 1497 N ASN A 98 8.644 14.095 9.791 1.00 0.00 N ATOM 1498 CA ASN A 98 8.732 15.136 10.800 1.00 0.00 C ATOM 1499 C ASN A 98 7.403 15.891 10.865 1.00 0.00 C ATOM 1500 O ASN A 98 7.102 16.701 9.989 1.00 0.00 O ATOM 1501 CB ASN A 98 9.832 16.144 10.458 1.00 0.00 C ATOM 1502 CG ASN A 98 11.179 15.700 11.031 1.00 0.00 C ATOM 1503 OD1 ASN A 98 11.302 14.668 11.670 1.00 0.00 O ATOM 1504 ND2 ASN A 98 12.180 16.536 10.769 1.00 0.00 N ATOM 0 H ASN A 98 9.359 14.143 9.066 1.00 0.00 H new ATOM 0 HA ASN A 98 8.962 14.662 11.754 1.00 0.00 H new ATOM 0 HB2 ASN A 98 9.910 16.250 9.376 1.00 0.00 H new ATOM 0 HB3 ASN A 98 9.569 17.124 10.856 1.00 0.00 H new ATOM 0 HD21 ASN A 98 13.119 16.330 11.109 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.008 17.383 10.228 1.00 0.00 H new ATOM 1511 N SER A 99 6.644 15.600 11.911 1.00 0.00 N ATOM 1512 CA SER A 99 5.354 16.241 12.102 1.00 0.00 C ATOM 1513 C SER A 99 4.797 15.894 13.484 1.00 0.00 C ATOM 1514 O SER A 99 5.327 15.022 14.170 1.00 0.00 O ATOM 1515 CB SER A 99 4.366 15.826 11.011 1.00 0.00 C ATOM 1516 OG SER A 99 3.174 16.606 11.044 1.00 0.00 O ATOM 0 H SER A 99 6.898 14.928 12.636 1.00 0.00 H new ATOM 0 HA SER A 99 5.495 17.320 12.035 1.00 0.00 H new ATOM 0 HB2 SER A 99 4.840 15.929 10.035 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.113 14.773 11.133 1.00 0.00 H new ATOM 0 HG SER A 99 2.570 16.311 10.331 1.00 0.00 H new ATOM 1522 N GLY A 100 3.733 16.594 13.850 1.00 0.00 N ATOM 1523 CA GLY A 100 3.097 16.370 15.138 1.00 0.00 C ATOM 1524 C GLY A 100 2.211 15.124 15.102 1.00 0.00 C ATOM 1525 O GLY A 100 1.938 14.582 14.032 1.00 0.00 O ATOM 0 H GLY A 100 3.295 17.316 13.278 1.00 0.00 H new ATOM 0 HA2 GLY A 100 3.859 16.257 15.909 1.00 0.00 H new ATOM 0 HA3 GLY A 100 2.497 17.239 15.408 1.00 0.00 H new ATOM 1529 N PRO A 101 1.775 14.694 16.317 1.00 0.00 N ATOM 1530 CA PRO A 101 0.925 13.521 16.435 1.00 0.00 C ATOM 1531 C PRO A 101 -0.506 13.835 15.993 1.00 0.00 C ATOM 1532 O PRO A 101 -0.936 14.986 16.039 1.00 0.00 O ATOM 1533 CB PRO A 101 1.019 13.112 17.895 1.00 0.00 C ATOM 1534 CG PRO A 101 1.541 14.332 18.637 1.00 0.00 C ATOM 1535 CD PRO A 101 2.078 15.311 17.605 1.00 0.00 C ATOM 0 HA PRO A 101 1.242 12.705 15.786 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.045 12.808 18.279 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.690 12.262 18.020 1.00 0.00 H new ATOM 0 HG2 PRO A 101 0.745 14.793 19.222 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.326 14.046 19.337 1.00 0.00 H new ATOM 0 HD2 PRO A 101 1.601 16.287 17.699 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.150 15.467 17.727 1.00 0.00 H new ATOM 1543 N SER A 102 -1.205 12.790 15.574 1.00 0.00 N ATOM 1544 CA SER A 102 -2.578 12.939 15.124 1.00 0.00 C ATOM 1545 C SER A 102 -3.514 12.130 16.024 1.00 0.00 C ATOM 1546 O SER A 102 -3.061 11.299 16.810 1.00 0.00 O ATOM 1547 CB SER A 102 -2.731 12.499 13.667 1.00 0.00 C ATOM 1548 OG SER A 102 -3.352 13.503 12.869 1.00 0.00 O ATOM 0 H SER A 102 -0.845 11.836 15.537 1.00 0.00 H new ATOM 0 HA SER A 102 -2.846 13.994 15.186 1.00 0.00 H new ATOM 0 HB2 SER A 102 -1.750 12.263 13.254 1.00 0.00 H new ATOM 0 HB3 SER A 102 -3.323 11.585 13.625 1.00 0.00 H new ATOM 0 HG SER A 102 -3.430 13.185 11.945 1.00 0.00 H new ATOM 1554 N SER A 103 -4.803 12.401 15.879 1.00 0.00 N ATOM 1555 CA SER A 103 -5.807 11.708 16.669 1.00 0.00 C ATOM 1556 C SER A 103 -7.207 12.160 16.249 1.00 0.00 C ATOM 1557 O SER A 103 -8.028 11.345 15.832 1.00 0.00 O ATOM 1558 CB SER A 103 -5.597 11.953 18.164 1.00 0.00 C ATOM 1559 OG SER A 103 -6.026 10.846 18.952 1.00 0.00 O ATOM 0 H SER A 103 -5.175 13.091 15.226 1.00 0.00 H new ATOM 0 HA SER A 103 -5.707 10.638 16.486 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.541 12.146 18.355 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.144 12.846 18.465 1.00 0.00 H new ATOM 0 HG SER A 103 -5.874 11.041 19.900 1.00 0.00 H new ATOM 1565 N GLY A 104 -7.437 13.459 16.373 1.00 0.00 N ATOM 1566 CA GLY A 104 -8.723 14.030 16.012 1.00 0.00 C ATOM 1567 C GLY A 104 -8.610 15.539 15.785 1.00 0.00 C ATOM 1568 O GLY A 104 -9.005 16.044 14.735 1.00 0.00 O ATOM 0 H GLY A 104 -6.754 14.133 16.719 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -9.097 13.550 15.108 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.448 13.831 16.802 1.00 0.00 H new TER 1572 GLY A 104