USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 666 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 13 THR OG1 : rot 180:sc= 0.0584 USER MOD Set 1.2: A 16 GLN : amide:sc= -0.191 K(o=-0.13,f=-3.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.0188 F(o=-0.61,f=-0.019) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.0218 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0918 X(o=-0.092,f=-0.051) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0.021) USER MOD Single : A 35 CYS SG : rot -6:sc= -0.692 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc=0.000666 USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.057) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -127:sc= -4.46 (180deg=-6.47!) USER MOD Single : A 47 MET CE :methyl -160:sc= -0.408 (180deg=-1.04) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.261 K(o=-0.26,f=-1.4) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.75 USER MOD Single : A 58 GLN : amide:sc= -0.565 X(o=-0.57,f=-0.1) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -84:sc= 0.493 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -173:sc= -0.363 (180deg=-0.512) USER MOD Single : A 81 MET CE :methyl -118:sc= -0.64 (180deg=-1.98!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.493 3.679 -14.074 1.00 0.00 N ATOM 2 CA MET A 1 13.353 2.627 -14.691 1.00 0.00 C ATOM 3 C MET A 1 12.637 1.274 -14.616 1.00 0.00 C ATOM 4 O MET A 1 12.894 0.465 -13.719 1.00 0.00 O ATOM 5 CB MET A 1 14.691 2.555 -13.942 1.00 0.00 C ATOM 6 CG MET A 1 15.746 1.906 -14.840 1.00 0.00 C ATOM 7 SD MET A 1 17.382 2.105 -14.089 1.00 0.00 S ATOM 8 CE MET A 1 17.465 0.478 -13.300 1.00 0.00 C ATOM 0 H1 MET A 1 12.978 4.598 -14.124 1.00 0.00 H new ATOM 0 H2 MET A 1 11.591 3.735 -14.588 1.00 0.00 H new ATOM 0 H3 MET A 1 12.310 3.438 -13.079 1.00 0.00 H new ATOM 0 HA MET A 1 13.542 2.874 -15.736 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.011 3.556 -13.652 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.575 1.979 -13.024 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.523 0.848 -14.976 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.730 2.365 -15.829 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.411 0.380 -12.768 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.640 0.373 -12.596 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.394 -0.299 -14.061 1.00 0.00 H new ATOM 20 N ASN A 2 11.730 1.044 -15.569 1.00 0.00 N ATOM 21 CA ASN A 2 10.971 -0.208 -15.608 1.00 0.00 C ATOM 22 C ASN A 2 10.677 -0.619 -17.050 1.00 0.00 C ATOM 23 O ASN A 2 10.145 0.165 -17.840 1.00 0.00 O ATOM 24 CB ASN A 2 9.649 -0.056 -14.853 1.00 0.00 C ATOM 25 CG ASN A 2 9.900 -0.212 -13.356 1.00 0.00 C ATOM 26 OD1 ASN A 2 10.308 -1.361 -12.891 1.00 0.00 O flip ATOM 27 ND2 ASN A 2 9.721 0.734 -12.588 1.00 0.00 N flip ATOM 0 H ASN A 2 11.505 1.701 -16.316 1.00 0.00 H new ATOM 0 HA ASN A 2 11.577 -0.979 -15.131 1.00 0.00 H new ATOM 0 HB2 ASN A 2 9.210 0.920 -15.060 1.00 0.00 H new ATOM 0 HB3 ASN A 2 8.935 -0.806 -15.193 1.00 0.00 H new ATOM 0 HD21 ASN A 2 9.402 1.632 -12.951 1.00 0.00 H new ATOM 0 HD22 ASN A 2 9.892 0.619 -11.589 1.00 0.00 H new ATOM 34 N ASP A 3 11.031 -1.864 -17.379 1.00 0.00 N ATOM 35 CA ASP A 3 10.810 -2.392 -18.729 1.00 0.00 C ATOM 36 C ASP A 3 9.608 -3.337 -18.770 1.00 0.00 C ATOM 37 O ASP A 3 8.942 -3.453 -19.802 1.00 0.00 O ATOM 38 CB ASP A 3 12.057 -3.135 -19.234 1.00 0.00 C ATOM 39 CG ASP A 3 12.331 -4.365 -18.366 1.00 0.00 C ATOM 40 OD1 ASP A 3 12.834 -4.193 -17.267 1.00 0.00 O ATOM 41 OD2 ASP A 3 12.032 -5.460 -18.814 1.00 0.00 O ATOM 0 H ASP A 3 11.469 -2.522 -16.734 1.00 0.00 H new ATOM 0 HA ASP A 3 10.608 -1.540 -19.378 1.00 0.00 H new ATOM 0 HB2 ASP A 3 11.913 -3.438 -20.271 1.00 0.00 H new ATOM 0 HB3 ASP A 3 12.919 -2.468 -19.214 1.00 0.00 H new ATOM 46 N ILE A 4 9.326 -4.006 -17.646 1.00 0.00 N ATOM 47 CA ILE A 4 8.187 -4.924 -17.596 1.00 0.00 C ATOM 48 C ILE A 4 6.890 -4.149 -17.349 1.00 0.00 C ATOM 49 O ILE A 4 5.808 -4.639 -17.651 1.00 0.00 O ATOM 50 CB ILE A 4 8.370 -5.989 -16.502 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.232 -5.352 -15.115 1.00 0.00 C ATOM 52 CG2 ILE A 4 9.755 -6.627 -16.631 1.00 0.00 C ATOM 53 CD1 ILE A 4 6.765 -5.387 -14.681 1.00 0.00 C ATOM 0 H ILE A 4 9.858 -3.931 -16.779 1.00 0.00 H new ATOM 0 HA ILE A 4 8.130 -5.430 -18.560 1.00 0.00 H new ATOM 0 HB ILE A 4 7.601 -6.752 -16.623 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.849 -5.888 -14.394 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.591 -4.323 -15.138 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.882 -7.381 -15.854 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.850 -7.095 -17.611 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.521 -5.859 -16.520 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.667 -4.934 -13.694 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.160 -4.831 -15.398 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.422 -6.421 -14.641 1.00 0.00 H new ATOM 65 N TYR A 5 7.012 -2.929 -16.803 1.00 0.00 N ATOM 66 CA TYR A 5 5.838 -2.092 -16.532 1.00 0.00 C ATOM 67 C TYR A 5 5.192 -1.676 -17.849 1.00 0.00 C ATOM 68 O TYR A 5 3.977 -1.498 -17.935 1.00 0.00 O ATOM 69 CB TYR A 5 6.233 -0.820 -15.761 1.00 0.00 C ATOM 70 CG TYR A 5 6.585 -1.143 -14.322 1.00 0.00 C ATOM 71 CD1 TYR A 5 7.126 -2.389 -13.983 1.00 0.00 C ATOM 72 CD2 TYR A 5 6.385 -0.180 -13.327 1.00 0.00 C ATOM 73 CE1 TYR A 5 7.463 -2.675 -12.661 1.00 0.00 C ATOM 74 CE2 TYR A 5 6.723 -0.464 -11.999 1.00 0.00 C ATOM 75 CZ TYR A 5 7.263 -1.711 -11.665 1.00 0.00 C ATOM 76 OH TYR A 5 7.597 -1.991 -10.354 1.00 0.00 O ATOM 0 H TYR A 5 7.903 -2.506 -16.544 1.00 0.00 H new ATOM 0 HA TYR A 5 5.141 -2.674 -15.929 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.084 -0.344 -16.249 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.410 -0.105 -15.786 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.283 -3.133 -14.750 1.00 0.00 H new ATOM 0 HD2 TYR A 5 5.969 0.783 -13.584 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.878 -3.639 -12.405 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.567 0.280 -11.232 1.00 0.00 H new ATOM 0 HH TYR A 5 7.395 -1.214 -9.792 1.00 0.00 H new ATOM 86 N LYS A 6 6.032 -1.538 -18.878 1.00 0.00 N ATOM 87 CA LYS A 6 5.559 -1.157 -20.211 1.00 0.00 C ATOM 88 C LYS A 6 4.962 -2.373 -20.906 1.00 0.00 C ATOM 89 O LYS A 6 3.926 -2.285 -21.565 1.00 0.00 O ATOM 90 CB LYS A 6 6.708 -0.595 -21.064 1.00 0.00 C ATOM 91 CG LYS A 6 7.548 0.395 -20.241 1.00 0.00 C ATOM 92 CD LYS A 6 6.628 1.329 -19.445 1.00 0.00 C ATOM 93 CE LYS A 6 7.447 2.088 -18.397 1.00 0.00 C ATOM 94 NZ LYS A 6 6.750 3.358 -18.038 1.00 0.00 N ATOM 0 H LYS A 6 7.040 -1.684 -18.814 1.00 0.00 H new ATOM 0 HA LYS A 6 4.801 -0.382 -20.098 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.339 -1.410 -21.419 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.305 -0.096 -21.945 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.204 -0.149 -19.561 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.188 0.979 -20.902 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.138 2.033 -20.118 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.841 0.753 -18.958 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.580 1.471 -17.508 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.442 2.305 -18.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.308 3.871 -17.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.645 3.949 -18.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.810 3.140 -17.650 1.00 0.00 H new ATOM 108 N ALA A 7 5.626 -3.516 -20.730 1.00 0.00 N ATOM 109 CA ALA A 7 5.151 -4.768 -21.322 1.00 0.00 C ATOM 110 C ALA A 7 3.920 -5.293 -20.568 1.00 0.00 C ATOM 111 O ALA A 7 3.094 -6.011 -21.135 1.00 0.00 O ATOM 112 CB ALA A 7 6.252 -5.830 -21.270 1.00 0.00 C ATOM 0 H ALA A 7 6.486 -3.602 -20.188 1.00 0.00 H new ATOM 0 HA ALA A 7 4.881 -4.567 -22.359 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.886 -6.756 -21.713 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.121 -5.480 -21.827 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.534 -6.011 -20.233 1.00 0.00 H new ATOM 118 N ALA A 8 3.815 -4.929 -19.282 1.00 0.00 N ATOM 119 CA ALA A 8 2.696 -5.369 -18.445 1.00 0.00 C ATOM 120 C ALA A 8 1.474 -4.465 -18.619 1.00 0.00 C ATOM 121 O ALA A 8 0.339 -4.928 -18.497 1.00 0.00 O ATOM 122 CB ALA A 8 3.104 -5.372 -16.968 1.00 0.00 C ATOM 0 H ALA A 8 4.490 -4.333 -18.803 1.00 0.00 H new ATOM 0 HA ALA A 8 2.433 -6.378 -18.762 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.262 -5.701 -16.359 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.944 -6.052 -16.824 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.396 -4.365 -16.669 1.00 0.00 H new ATOM 128 N VAL A 9 1.708 -3.173 -18.898 1.00 0.00 N ATOM 129 CA VAL A 9 0.600 -2.224 -19.076 1.00 0.00 C ATOM 130 C VAL A 9 -0.345 -2.678 -20.198 1.00 0.00 C ATOM 131 O VAL A 9 -1.556 -2.455 -20.128 1.00 0.00 O ATOM 132 CB VAL A 9 1.131 -0.809 -19.370 1.00 0.00 C ATOM 133 CG1 VAL A 9 1.486 -0.660 -20.854 1.00 0.00 C ATOM 134 CG2 VAL A 9 0.058 0.219 -19.000 1.00 0.00 C ATOM 0 H VAL A 9 2.638 -2.767 -19.004 1.00 0.00 H new ATOM 0 HA VAL A 9 0.037 -2.198 -18.143 1.00 0.00 H new ATOM 0 HB VAL A 9 2.031 -0.643 -18.778 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.859 0.347 -21.040 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.255 -1.386 -21.119 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.597 -0.835 -21.460 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.429 1.223 -19.206 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.840 0.036 -19.590 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.180 0.131 -17.940 1.00 0.00 H new ATOM 144 N GLU A 10 0.220 -3.327 -21.223 1.00 0.00 N ATOM 145 CA GLU A 10 -0.583 -3.820 -22.347 1.00 0.00 C ATOM 146 C GLU A 10 -1.413 -5.044 -21.939 1.00 0.00 C ATOM 147 O GLU A 10 -2.431 -5.347 -22.562 1.00 0.00 O ATOM 148 CB GLU A 10 0.319 -4.206 -23.524 1.00 0.00 C ATOM 149 CG GLU A 10 0.896 -2.940 -24.168 1.00 0.00 C ATOM 150 CD GLU A 10 1.305 -3.238 -25.607 1.00 0.00 C ATOM 151 OE1 GLU A 10 0.467 -3.097 -26.483 1.00 0.00 O ATOM 152 OE2 GLU A 10 2.452 -3.603 -25.814 1.00 0.00 O ATOM 0 H GLU A 10 1.219 -3.521 -21.297 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.254 -3.015 -22.645 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.127 -4.851 -23.179 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.250 -4.773 -24.260 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.156 -2.140 -24.148 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.758 -2.591 -23.599 1.00 0.00 H new ATOM 159 N GLN A 11 -0.970 -5.742 -20.883 1.00 0.00 N ATOM 160 CA GLN A 11 -1.682 -6.929 -20.401 1.00 0.00 C ATOM 161 C GLN A 11 -2.840 -6.529 -19.489 1.00 0.00 C ATOM 162 O GLN A 11 -3.931 -7.100 -19.564 1.00 0.00 O ATOM 163 CB GLN A 11 -0.733 -7.851 -19.626 1.00 0.00 C ATOM 164 CG GLN A 11 0.413 -8.296 -20.540 1.00 0.00 C ATOM 165 CD GLN A 11 1.437 -9.087 -19.730 1.00 0.00 C ATOM 166 OE1 GLN A 11 1.103 -10.103 -19.118 1.00 0.00 O ATOM 167 NE2 GLN A 11 2.678 -8.683 -19.692 1.00 0.00 N ATOM 0 H GLN A 11 -0.131 -5.507 -20.353 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.072 -7.458 -21.271 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.335 -7.331 -18.755 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.276 -8.721 -19.257 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.026 -8.909 -21.353 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.887 -7.426 -20.995 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.956 -7.842 -20.198 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.369 -9.208 -19.156 1.00 0.00 H new ATOM 176 N LEU A 12 -2.588 -5.542 -18.626 1.00 0.00 N ATOM 177 CA LEU A 12 -3.608 -5.059 -17.692 1.00 0.00 C ATOM 178 C LEU A 12 -4.834 -4.541 -18.445 1.00 0.00 C ATOM 179 O LEU A 12 -4.714 -3.818 -19.436 1.00 0.00 O ATOM 180 CB LEU A 12 -3.046 -3.934 -16.821 1.00 0.00 C ATOM 181 CG LEU A 12 -1.983 -4.369 -15.805 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.731 -3.507 -15.972 1.00 0.00 C ATOM 183 CD2 LEU A 12 -2.533 -4.199 -14.387 1.00 0.00 C ATOM 0 H LEU A 12 -1.690 -5.063 -18.554 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.903 -5.897 -17.061 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.615 -3.173 -17.471 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.870 -3.465 -16.283 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.728 -5.415 -15.974 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.024 -3.817 -15.249 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.338 -3.628 -16.981 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.985 -2.460 -15.805 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.778 -4.508 -13.664 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.789 -3.153 -14.219 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.424 -4.815 -14.266 1.00 0.00 H new ATOM 195 N THR A 13 -6.014 -4.925 -17.955 1.00 0.00 N ATOM 196 CA THR A 13 -7.274 -4.505 -18.576 1.00 0.00 C ATOM 197 C THR A 13 -7.865 -3.306 -17.840 1.00 0.00 C ATOM 198 O THR A 13 -7.411 -2.934 -16.754 1.00 0.00 O ATOM 199 CB THR A 13 -8.306 -5.645 -18.550 1.00 0.00 C ATOM 200 OG1 THR A 13 -8.050 -6.507 -17.447 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.230 -6.441 -19.852 1.00 0.00 C ATOM 0 H THR A 13 -6.125 -5.522 -17.136 1.00 0.00 H new ATOM 0 HA THR A 13 -7.051 -4.234 -19.608 1.00 0.00 H new ATOM 0 HB THR A 13 -9.304 -5.218 -18.446 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.712 -7.230 -17.436 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.963 -7.247 -19.829 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.442 -5.782 -20.694 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.231 -6.862 -19.963 1.00 0.00 H new ATOM 209 N ASP A 14 -8.903 -2.719 -18.443 1.00 0.00 N ATOM 210 CA ASP A 14 -9.585 -1.572 -17.840 1.00 0.00 C ATOM 211 C ASP A 14 -10.195 -1.969 -16.495 1.00 0.00 C ATOM 212 O ASP A 14 -10.293 -1.150 -15.581 1.00 0.00 O ATOM 213 CB ASP A 14 -10.700 -1.065 -18.757 1.00 0.00 C ATOM 214 CG ASP A 14 -10.090 -0.479 -20.028 1.00 0.00 C ATOM 215 OD1 ASP A 14 -9.763 0.696 -20.016 1.00 0.00 O ATOM 216 OD2 ASP A 14 -9.960 -1.215 -20.993 1.00 0.00 O ATOM 0 H ASP A 14 -9.286 -3.016 -19.340 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.849 -0.781 -17.694 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.377 -1.881 -19.009 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.292 -0.308 -18.243 1.00 0.00 H new ATOM 221 N GLU A 15 -10.597 -3.243 -16.389 1.00 0.00 N ATOM 222 CA GLU A 15 -11.192 -3.762 -15.154 1.00 0.00 C ATOM 223 C GLU A 15 -10.238 -3.572 -13.974 1.00 0.00 C ATOM 224 O GLU A 15 -10.642 -3.098 -12.913 1.00 0.00 O ATOM 225 CB GLU A 15 -11.518 -5.251 -15.298 1.00 0.00 C ATOM 226 CG GLU A 15 -12.986 -5.420 -15.703 1.00 0.00 C ATOM 227 CD GLU A 15 -13.870 -5.364 -14.459 1.00 0.00 C ATOM 228 OE1 GLU A 15 -14.267 -4.272 -14.086 1.00 0.00 O ATOM 229 OE2 GLU A 15 -14.137 -6.415 -13.898 1.00 0.00 O ATOM 0 H GLU A 15 -10.521 -3.929 -17.140 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.111 -3.206 -14.968 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.869 -5.705 -16.047 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.328 -5.768 -14.357 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.274 -4.634 -16.402 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.125 -6.371 -16.218 1.00 0.00 H new ATOM 236 N GLN A 16 -8.965 -3.938 -14.178 1.00 0.00 N ATOM 237 CA GLN A 16 -7.951 -3.794 -13.125 1.00 0.00 C ATOM 238 C GLN A 16 -7.803 -2.327 -12.737 1.00 0.00 C ATOM 239 O GLN A 16 -7.816 -1.987 -11.554 1.00 0.00 O ATOM 240 CB GLN A 16 -6.595 -4.331 -13.597 1.00 0.00 C ATOM 241 CG GLN A 16 -6.522 -5.838 -13.331 1.00 0.00 C ATOM 242 CD GLN A 16 -5.569 -6.491 -14.328 1.00 0.00 C ATOM 243 OE1 GLN A 16 -5.853 -6.545 -15.525 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.443 -7.001 -13.905 1.00 0.00 N ATOM 0 H GLN A 16 -8.616 -4.331 -15.052 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.278 -4.371 -12.260 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.463 -4.132 -14.661 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.787 -3.819 -13.074 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.179 -6.021 -12.313 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.514 -6.281 -13.418 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.204 -6.958 -12.914 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.803 -7.442 -14.565 1.00 0.00 H new ATOM 253 N LYS A 17 -7.687 -1.458 -13.748 1.00 0.00 N ATOM 254 CA LYS A 17 -7.566 -0.019 -13.497 1.00 0.00 C ATOM 255 C LYS A 17 -8.786 0.479 -12.722 1.00 0.00 C ATOM 256 O LYS A 17 -8.674 1.354 -11.864 1.00 0.00 O ATOM 257 CB LYS A 17 -7.454 0.756 -14.815 1.00 0.00 C ATOM 258 CG LYS A 17 -5.978 0.969 -15.161 1.00 0.00 C ATOM 259 CD LYS A 17 -5.464 -0.220 -15.978 1.00 0.00 C ATOM 260 CE LYS A 17 -3.933 -0.246 -15.941 1.00 0.00 C ATOM 261 NZ LYS A 17 -3.391 0.659 -16.996 1.00 0.00 N ATOM 0 H LYS A 17 -7.674 -1.721 -14.733 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.663 0.149 -12.911 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.950 0.206 -15.615 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.960 1.717 -14.727 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.857 1.892 -15.728 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.392 1.076 -14.248 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.863 -1.151 -15.575 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.812 -0.144 -17.008 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.578 0.069 -14.960 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.573 -1.262 -16.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.352 0.640 -16.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.719 0.339 -17.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.724 1.629 -16.826 1.00 0.00 H new ATOM 275 N ASN A 18 -9.949 -0.110 -13.028 1.00 0.00 N ATOM 276 CA ASN A 18 -11.194 0.249 -12.350 1.00 0.00 C ATOM 277 C ASN A 18 -11.146 -0.197 -10.886 1.00 0.00 C ATOM 278 O ASN A 18 -11.609 0.516 -9.994 1.00 0.00 O ATOM 279 CB ASN A 18 -12.390 -0.418 -13.039 1.00 0.00 C ATOM 280 CG ASN A 18 -13.486 0.618 -13.272 1.00 0.00 C ATOM 281 OD1 ASN A 18 -14.441 0.703 -12.500 1.00 0.00 O ATOM 282 ND2 ASN A 18 -13.405 1.420 -14.299 1.00 0.00 N ATOM 0 H ASN A 18 -10.050 -0.835 -13.739 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.308 1.332 -12.398 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.079 -0.854 -13.988 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.770 -1.233 -12.423 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.133 2.116 -14.461 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.614 1.350 -14.939 1.00 0.00 H new ATOM 289 N GLU A 19 -10.566 -1.384 -10.652 1.00 0.00 N ATOM 290 CA GLU A 19 -10.440 -1.921 -9.294 1.00 0.00 C ATOM 291 C GLU A 19 -9.630 -0.961 -8.429 1.00 0.00 C ATOM 292 O GLU A 19 -10.052 -0.579 -7.336 1.00 0.00 O ATOM 293 CB GLU A 19 -9.731 -3.283 -9.303 1.00 0.00 C ATOM 294 CG GLU A 19 -10.551 -4.291 -10.112 1.00 0.00 C ATOM 295 CD GLU A 19 -10.502 -5.656 -9.432 1.00 0.00 C ATOM 296 OE1 GLU A 19 -11.350 -5.909 -8.591 1.00 0.00 O ATOM 297 OE2 GLU A 19 -9.619 -6.430 -9.764 1.00 0.00 O ATOM 0 H GLU A 19 -10.180 -1.984 -11.381 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.445 -2.042 -8.889 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.735 -3.182 -9.734 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.601 -3.642 -8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.584 -3.952 -10.195 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.158 -4.364 -11.126 1.00 0.00 H new ATOM 304 N PHE A 20 -8.456 -0.578 -8.941 1.00 0.00 N ATOM 305 CA PHE A 20 -7.576 0.343 -8.218 1.00 0.00 C ATOM 306 C PHE A 20 -8.185 1.745 -8.138 1.00 0.00 C ATOM 307 O PHE A 20 -7.981 2.459 -7.157 1.00 0.00 O ATOM 308 CB PHE A 20 -6.212 0.444 -8.908 1.00 0.00 C ATOM 309 CG PHE A 20 -5.581 -0.926 -9.007 1.00 0.00 C ATOM 310 CD1 PHE A 20 -5.292 -1.659 -7.847 1.00 0.00 C ATOM 311 CD2 PHE A 20 -5.285 -1.462 -10.262 1.00 0.00 C ATOM 312 CE1 PHE A 20 -4.709 -2.926 -7.949 1.00 0.00 C ATOM 313 CE2 PHE A 20 -4.703 -2.728 -10.364 1.00 0.00 C ATOM 314 CZ PHE A 20 -4.415 -3.461 -9.208 1.00 0.00 C ATOM 0 H PHE A 20 -8.097 -0.888 -9.844 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.454 -0.056 -7.211 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.329 0.872 -9.903 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.560 1.114 -8.347 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.519 -1.245 -6.876 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.506 -0.897 -11.155 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.486 -3.491 -7.056 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.475 -3.141 -11.336 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.966 -4.440 -9.287 1.00 0.00 H new ATOM 324 N LYS A 21 -8.922 2.137 -9.185 1.00 0.00 N ATOM 325 CA LYS A 21 -9.546 3.463 -9.230 1.00 0.00 C ATOM 326 C LYS A 21 -10.486 3.670 -8.041 1.00 0.00 C ATOM 327 O LYS A 21 -10.347 4.641 -7.295 1.00 0.00 O ATOM 328 CB LYS A 21 -10.329 3.646 -10.539 1.00 0.00 C ATOM 329 CG LYS A 21 -10.979 5.037 -10.581 1.00 0.00 C ATOM 330 CD LYS A 21 -9.914 6.121 -10.379 1.00 0.00 C ATOM 331 CE LYS A 21 -8.929 6.104 -11.550 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.794 7.479 -12.111 1.00 0.00 N ATOM 0 H LYS A 21 -9.099 1.559 -10.006 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.749 4.205 -9.180 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.660 3.524 -11.391 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.096 2.876 -10.623 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.482 5.184 -11.537 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.741 5.115 -9.805 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.388 7.100 -10.304 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.383 5.952 -9.442 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.958 5.740 -11.216 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.278 5.418 -12.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.124 7.465 -12.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.722 7.810 -12.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.442 8.122 -11.373 1.00 0.00 H new ATOM 346 N ALA A 22 -11.439 2.750 -7.872 1.00 0.00 N ATOM 347 CA ALA A 22 -12.397 2.846 -6.765 1.00 0.00 C ATOM 348 C ALA A 22 -11.685 2.707 -5.421 1.00 0.00 C ATOM 349 O ALA A 22 -11.962 3.456 -4.484 1.00 0.00 O ATOM 350 CB ALA A 22 -13.464 1.756 -6.879 1.00 0.00 C ATOM 0 H ALA A 22 -11.568 1.940 -8.478 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.872 3.825 -6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.165 1.844 -6.049 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.001 1.870 -7.821 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.988 0.776 -6.849 1.00 0.00 H new ATOM 356 N ALA A 23 -10.761 1.745 -5.341 1.00 0.00 N ATOM 357 CA ALA A 23 -10.003 1.512 -4.107 1.00 0.00 C ATOM 358 C ALA A 23 -9.155 2.736 -3.734 1.00 0.00 C ATOM 359 O ALA A 23 -8.829 2.942 -2.563 1.00 0.00 O ATOM 360 CB ALA A 23 -9.082 0.300 -4.265 1.00 0.00 C ATOM 0 H ALA A 23 -10.521 1.119 -6.110 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.725 1.326 -3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.527 0.142 -3.340 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.679 -0.585 -4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.383 0.479 -5.082 1.00 0.00 H new ATOM 366 N PHE A 24 -8.806 3.545 -4.740 1.00 0.00 N ATOM 367 CA PHE A 24 -8.006 4.746 -4.507 1.00 0.00 C ATOM 368 C PHE A 24 -8.909 5.919 -4.124 1.00 0.00 C ATOM 369 O PHE A 24 -8.700 6.564 -3.100 1.00 0.00 O ATOM 370 CB PHE A 24 -7.214 5.111 -5.774 1.00 0.00 C ATOM 371 CG PHE A 24 -5.985 5.921 -5.414 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.796 5.271 -5.060 1.00 0.00 C ATOM 373 CD2 PHE A 24 -6.032 7.322 -5.447 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.658 6.019 -4.736 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.893 8.069 -5.122 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.707 7.418 -4.767 1.00 0.00 C ATOM 0 H PHE A 24 -9.064 3.390 -5.715 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.312 4.542 -3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.918 4.203 -6.300 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.847 5.681 -6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.757 4.192 -5.037 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.947 7.825 -5.723 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.742 5.517 -4.462 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.930 9.148 -5.145 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.829 7.995 -4.517 1.00 0.00 H new ATOM 386 N ASP A 25 -9.911 6.188 -4.970 1.00 0.00 N ATOM 387 CA ASP A 25 -10.841 7.301 -4.738 1.00 0.00 C ATOM 388 C ASP A 25 -11.508 7.236 -3.360 1.00 0.00 C ATOM 389 O ASP A 25 -11.696 8.271 -2.718 1.00 0.00 O ATOM 390 CB ASP A 25 -11.932 7.322 -5.813 1.00 0.00 C ATOM 391 CG ASP A 25 -12.555 8.715 -5.882 1.00 0.00 C ATOM 392 OD1 ASP A 25 -12.020 9.546 -6.596 1.00 0.00 O ATOM 393 OD2 ASP A 25 -13.555 8.929 -5.216 1.00 0.00 O ATOM 0 H ASP A 25 -10.098 5.653 -5.818 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.245 8.212 -4.784 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.509 7.053 -6.781 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.698 6.581 -5.583 1.00 0.00 H new ATOM 398 N ILE A 26 -11.870 6.028 -2.910 1.00 0.00 N ATOM 399 CA ILE A 26 -12.521 5.881 -1.599 1.00 0.00 C ATOM 400 C ILE A 26 -11.666 6.507 -0.492 1.00 0.00 C ATOM 401 O ILE A 26 -12.191 7.106 0.448 1.00 0.00 O ATOM 402 CB ILE A 26 -12.778 4.405 -1.266 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.472 3.607 -1.375 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.817 3.838 -2.239 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.730 2.141 -1.028 1.00 0.00 C ATOM 0 H ILE A 26 -11.728 5.156 -3.419 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.477 6.401 -1.654 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.154 4.326 -0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.070 3.686 -2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.723 4.023 -0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -14.001 2.790 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.747 4.399 -2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.443 3.921 -3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.799 1.579 -1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.111 2.070 -0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.464 1.727 -1.720 1.00 0.00 H new ATOM 417 N PHE A 27 -10.343 6.369 -0.623 1.00 0.00 N ATOM 418 CA PHE A 27 -9.418 6.933 0.362 1.00 0.00 C ATOM 419 C PHE A 27 -9.104 8.399 0.043 1.00 0.00 C ATOM 420 O PHE A 27 -8.813 9.188 0.944 1.00 0.00 O ATOM 421 CB PHE A 27 -8.110 6.137 0.391 1.00 0.00 C ATOM 422 CG PHE A 27 -8.237 4.998 1.378 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.725 3.756 0.954 1.00 0.00 C ATOM 424 CD2 PHE A 27 -7.870 5.188 2.716 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.846 2.703 1.870 1.00 0.00 C ATOM 426 CE2 PHE A 27 -7.993 4.135 3.630 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.481 2.893 3.207 1.00 0.00 C ATOM 0 H PHE A 27 -9.893 5.876 -1.394 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.901 6.875 1.337 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.886 5.749 -0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.282 6.787 0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -9.008 3.610 -0.078 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.493 6.146 3.042 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.221 1.744 1.544 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.711 4.281 4.662 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.576 2.081 3.913 1.00 0.00 H new ATOM 437 N ILE A 28 -9.160 8.755 -1.249 1.00 0.00 N ATOM 438 CA ILE A 28 -8.870 10.132 -1.674 1.00 0.00 C ATOM 439 C ILE A 28 -10.159 10.961 -1.781 1.00 0.00 C ATOM 440 O ILE A 28 -10.257 11.874 -2.604 1.00 0.00 O ATOM 441 CB ILE A 28 -8.150 10.143 -3.035 1.00 0.00 C ATOM 442 CG1 ILE A 28 -7.043 9.082 -3.077 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.518 11.512 -3.286 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.328 8.992 -1.722 1.00 0.00 C ATOM 0 H ILE A 28 -9.400 8.118 -2.009 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.223 10.576 -0.918 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.891 9.925 -3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.471 8.113 -3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.324 9.330 -3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.012 11.508 -4.251 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.295 12.277 -3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.796 11.729 -2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.546 8.234 -1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.882 9.957 -1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.047 8.721 -0.949 1.00 0.00 H new ATOM 456 N GLN A 29 -11.144 10.650 -0.931 1.00 0.00 N ATOM 457 CA GLN A 29 -12.405 11.399 -0.943 1.00 0.00 C ATOM 458 C GLN A 29 -12.164 12.829 -0.450 1.00 0.00 C ATOM 459 O GLN A 29 -12.737 13.785 -0.974 1.00 0.00 O ATOM 460 CB GLN A 29 -13.474 10.720 -0.067 1.00 0.00 C ATOM 461 CG GLN A 29 -12.944 10.484 1.353 1.00 0.00 C ATOM 462 CD GLN A 29 -14.111 10.178 2.288 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.979 11.026 2.504 1.00 0.00 O ATOM 464 NE2 GLN A 29 -14.186 9.009 2.863 1.00 0.00 N ATOM 0 H GLN A 29 -11.096 9.901 -0.240 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.773 11.420 -1.969 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.368 11.343 -0.028 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.767 9.770 -0.513 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.236 9.656 1.355 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.405 11.365 1.703 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.468 8.306 2.685 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.962 8.798 3.490 1.00 0.00 H new ATOM 473 N ASP A 30 -11.288 12.955 0.554 1.00 0.00 N ATOM 474 CA ASP A 30 -10.941 14.260 1.116 1.00 0.00 C ATOM 475 C ASP A 30 -9.497 14.229 1.636 1.00 0.00 C ATOM 476 O ASP A 30 -9.200 14.721 2.728 1.00 0.00 O ATOM 477 CB ASP A 30 -11.893 14.623 2.266 1.00 0.00 C ATOM 478 CG ASP A 30 -13.280 14.934 1.709 1.00 0.00 C ATOM 479 OD1 ASP A 30 -13.446 16.008 1.153 1.00 0.00 O ATOM 480 OD2 ASP A 30 -14.154 14.094 1.845 1.00 0.00 O ATOM 0 H ASP A 30 -10.808 12.168 0.992 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.034 15.013 0.333 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.952 13.798 2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.508 15.485 2.811 1.00 0.00 H new ATOM 485 N ALA A 31 -8.602 13.631 0.836 1.00 0.00 N ATOM 486 CA ALA A 31 -7.191 13.522 1.216 1.00 0.00 C ATOM 487 C ALA A 31 -6.500 14.885 1.167 1.00 0.00 C ATOM 488 O ALA A 31 -6.919 15.789 0.438 1.00 0.00 O ATOM 489 CB ALA A 31 -6.459 12.557 0.278 1.00 0.00 C ATOM 0 H ALA A 31 -8.830 13.220 -0.069 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.154 13.142 2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.412 12.487 0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.920 11.571 0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.523 12.926 -0.746 1.00 0.00 H new ATOM 495 N GLU A 32 -5.435 15.016 1.960 1.00 0.00 N ATOM 496 CA GLU A 32 -4.675 16.269 2.020 1.00 0.00 C ATOM 497 C GLU A 32 -3.840 16.464 0.752 1.00 0.00 C ATOM 498 O GLU A 32 -3.825 17.550 0.169 1.00 0.00 O ATOM 499 CB GLU A 32 -3.743 16.281 3.238 1.00 0.00 C ATOM 500 CG GLU A 32 -4.564 16.472 4.520 1.00 0.00 C ATOM 501 CD GLU A 32 -4.955 17.942 4.666 1.00 0.00 C ATOM 502 OE1 GLU A 32 -4.152 18.700 5.186 1.00 0.00 O ATOM 503 OE2 GLU A 32 -6.052 18.286 4.256 1.00 0.00 O ATOM 0 H GLU A 32 -5.080 14.276 2.566 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.394 17.084 2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.184 15.346 3.289 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.012 17.084 3.140 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.458 15.849 4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.984 16.152 5.386 1.00 0.00 H new ATOM 510 N ASP A 33 -3.147 15.402 0.337 1.00 0.00 N ATOM 511 CA ASP A 33 -2.305 15.461 -0.865 1.00 0.00 C ATOM 512 C ASP A 33 -2.908 14.643 -2.018 1.00 0.00 C ATOM 513 O ASP A 33 -2.221 14.335 -2.994 1.00 0.00 O ATOM 514 CB ASP A 33 -0.902 14.923 -0.557 1.00 0.00 C ATOM 515 CG ASP A 33 -0.212 15.834 0.456 1.00 0.00 C ATOM 516 OD1 ASP A 33 -0.371 15.596 1.644 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.467 16.754 0.030 1.00 0.00 O ATOM 0 H ASP A 33 -3.150 14.498 0.809 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.247 16.506 -1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.969 13.909 -0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.313 14.870 -1.473 1.00 0.00 H new ATOM 522 N GLY A 34 -4.199 14.295 -1.900 1.00 0.00 N ATOM 523 CA GLY A 34 -4.875 13.513 -2.941 1.00 0.00 C ATOM 524 C GLY A 34 -4.256 12.118 -3.086 1.00 0.00 C ATOM 525 O GLY A 34 -4.280 11.531 -4.169 1.00 0.00 O ATOM 0 H GLY A 34 -4.788 14.540 -1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.933 13.419 -2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.812 14.041 -3.893 1.00 0.00 H new ATOM 529 N CYS A 35 -3.700 11.598 -1.985 1.00 0.00 N ATOM 530 CA CYS A 35 -3.070 10.275 -1.998 1.00 0.00 C ATOM 531 C CYS A 35 -3.255 9.578 -0.651 1.00 0.00 C ATOM 532 O CYS A 35 -3.851 10.133 0.276 1.00 0.00 O ATOM 533 CB CYS A 35 -1.569 10.406 -2.274 1.00 0.00 C ATOM 534 SG CYS A 35 -1.311 11.215 -3.870 1.00 0.00 S ATOM 0 H CYS A 35 -3.674 12.070 -1.081 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.544 9.687 -2.783 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.093 10.983 -1.482 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.102 9.421 -2.275 1.00 0.00 H new ATOM 0 HG CYS A 35 -2.457 11.387 -4.459 1.00 0.00 H new ATOM 540 N ILE A 36 -2.723 8.359 -0.552 1.00 0.00 N ATOM 541 CA ILE A 36 -2.815 7.593 0.690 1.00 0.00 C ATOM 542 C ILE A 36 -1.448 7.561 1.378 1.00 0.00 C ATOM 543 O ILE A 36 -0.475 8.118 0.869 1.00 0.00 O ATOM 544 CB ILE A 36 -3.296 6.158 0.420 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.359 5.466 -0.577 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.714 6.192 -0.157 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.625 4.324 0.126 1.00 0.00 C ATOM 0 H ILE A 36 -2.229 7.885 -1.308 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.542 8.079 1.341 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.294 5.603 1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.929 5.081 -1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.642 6.183 -0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.054 5.174 -0.348 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.385 6.671 0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.714 6.755 -1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.958 3.830 -0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.043 4.723 0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.350 3.604 0.504 1.00 0.00 H new ATOM 559 N SER A 37 -1.383 6.909 2.537 1.00 0.00 N ATOM 560 CA SER A 37 -0.129 6.820 3.279 1.00 0.00 C ATOM 561 C SER A 37 0.614 5.538 2.914 1.00 0.00 C ATOM 562 O SER A 37 -0.001 4.503 2.645 1.00 0.00 O ATOM 563 CB SER A 37 -0.394 6.836 4.786 1.00 0.00 C ATOM 564 OG SER A 37 0.767 7.296 5.465 1.00 0.00 O ATOM 0 H SER A 37 -2.174 6.440 2.978 1.00 0.00 H new ATOM 0 HA SER A 37 0.483 7.682 3.013 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.241 7.484 5.011 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.658 5.836 5.131 1.00 0.00 H new ATOM 0 HG SER A 37 0.598 7.308 6.430 1.00 0.00 H new ATOM 570 N THR A 38 1.944 5.620 2.914 1.00 0.00 N ATOM 571 CA THR A 38 2.782 4.459 2.587 1.00 0.00 C ATOM 572 C THR A 38 2.469 3.295 3.529 1.00 0.00 C ATOM 573 O THR A 38 2.300 2.158 3.091 1.00 0.00 O ATOM 574 CB THR A 38 4.274 4.809 2.691 1.00 0.00 C ATOM 575 OG1 THR A 38 4.516 5.525 3.895 1.00 0.00 O ATOM 576 CG2 THR A 38 4.683 5.669 1.494 1.00 0.00 C ATOM 0 H THR A 38 2.464 6.469 3.134 1.00 0.00 H new ATOM 0 HA THR A 38 2.560 4.167 1.561 1.00 0.00 H new ATOM 0 HB THR A 38 4.860 3.890 2.695 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.469 5.745 3.959 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.742 5.917 1.569 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.504 5.117 0.571 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.095 6.587 1.488 1.00 0.00 H new ATOM 584 N LYS A 39 2.379 3.599 4.828 1.00 0.00 N ATOM 585 CA LYS A 39 2.071 2.577 5.832 1.00 0.00 C ATOM 586 C LYS A 39 0.596 2.147 5.759 1.00 0.00 C ATOM 587 O LYS A 39 0.239 1.056 6.210 1.00 0.00 O ATOM 588 CB LYS A 39 2.377 3.105 7.240 1.00 0.00 C ATOM 589 CG LYS A 39 1.436 4.268 7.590 1.00 0.00 C ATOM 590 CD LYS A 39 0.348 3.786 8.558 1.00 0.00 C ATOM 591 CE LYS A 39 0.936 3.625 9.965 1.00 0.00 C ATOM 592 NZ LYS A 39 1.071 4.962 10.613 1.00 0.00 N ATOM 0 H LYS A 39 2.514 4.537 5.206 1.00 0.00 H new ATOM 0 HA LYS A 39 2.696 1.710 5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.262 2.303 7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.413 3.438 7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.002 5.082 8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.979 4.663 6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.476 4.500 8.578 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.062 2.836 8.215 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.293 2.983 10.566 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.910 3.138 9.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.274 4.838 11.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.849 5.488 10.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.184 5.494 10.500 1.00 0.00 H new ATOM 606 N GLU A 40 -0.255 3.014 5.187 1.00 0.00 N ATOM 607 CA GLU A 40 -1.687 2.710 5.065 1.00 0.00 C ATOM 608 C GLU A 40 -1.991 1.855 3.824 1.00 0.00 C ATOM 609 O GLU A 40 -3.159 1.630 3.495 1.00 0.00 O ATOM 610 CB GLU A 40 -2.499 4.005 4.976 1.00 0.00 C ATOM 611 CG GLU A 40 -2.669 4.606 6.374 1.00 0.00 C ATOM 612 CD GLU A 40 -3.787 5.643 6.351 1.00 0.00 C ATOM 613 OE1 GLU A 40 -3.494 6.798 6.090 1.00 0.00 O ATOM 614 OE2 GLU A 40 -4.923 5.266 6.594 1.00 0.00 O ATOM 0 H GLU A 40 0.020 3.919 4.807 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.967 2.146 5.954 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.995 4.717 4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.475 3.804 4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.902 3.821 7.093 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.737 5.068 6.698 1.00 0.00 H new ATOM 621 N LEU A 41 -0.942 1.376 3.141 1.00 0.00 N ATOM 622 CA LEU A 41 -1.131 0.544 1.948 1.00 0.00 C ATOM 623 C LEU A 41 -1.893 -0.736 2.292 1.00 0.00 C ATOM 624 O LEU A 41 -2.738 -1.193 1.524 1.00 0.00 O ATOM 625 CB LEU A 41 0.216 0.166 1.331 1.00 0.00 C ATOM 626 CG LEU A 41 0.376 0.559 -0.136 1.00 0.00 C ATOM 627 CD1 LEU A 41 1.772 0.165 -0.623 1.00 0.00 C ATOM 628 CD2 LEU A 41 -0.684 -0.159 -0.977 1.00 0.00 C ATOM 0 H LEU A 41 0.032 1.548 3.390 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.708 1.128 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.011 0.638 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.353 -0.912 1.422 1.00 0.00 H new ATOM 0 HG LEU A 41 0.249 1.637 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.885 0.446 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.524 0.680 -0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.903 -0.912 -0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.569 0.122 -2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.560 -1.237 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.677 0.127 -0.631 1.00 0.00 H new ATOM 640 N GLY A 42 -1.587 -1.304 3.460 1.00 0.00 N ATOM 641 CA GLY A 42 -2.251 -2.530 3.912 1.00 0.00 C ATOM 642 C GLY A 42 -3.772 -2.351 4.009 1.00 0.00 C ATOM 643 O GLY A 42 -4.521 -3.327 3.962 1.00 0.00 O ATOM 0 H GLY A 42 -0.888 -0.938 4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.024 -3.342 3.222 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.856 -2.820 4.886 1.00 0.00 H new ATOM 647 N LYS A 43 -4.219 -1.095 4.146 1.00 0.00 N ATOM 648 CA LYS A 43 -5.648 -0.802 4.250 1.00 0.00 C ATOM 649 C LYS A 43 -6.309 -0.782 2.868 1.00 0.00 C ATOM 650 O LYS A 43 -7.424 -1.280 2.698 1.00 0.00 O ATOM 651 CB LYS A 43 -5.858 0.558 4.925 1.00 0.00 C ATOM 652 CG LYS A 43 -7.261 0.623 5.531 1.00 0.00 C ATOM 653 CD LYS A 43 -7.283 -0.118 6.873 1.00 0.00 C ATOM 654 CE LYS A 43 -7.179 0.890 8.022 1.00 0.00 C ATOM 655 NZ LYS A 43 -7.723 0.284 9.271 1.00 0.00 N ATOM 0 H LYS A 43 -3.614 -0.274 4.187 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.107 -1.589 4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.109 0.708 5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.728 1.359 4.198 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.557 1.662 5.674 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.983 0.177 4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.203 -0.695 6.965 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.456 -0.826 6.922 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.139 1.181 8.170 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.732 1.796 7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.651 0.970 10.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.720 0.027 9.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.177 -0.569 9.510 1.00 0.00 H new ATOM 669 N VAL A 44 -5.613 -0.200 1.884 1.00 0.00 N ATOM 670 CA VAL A 44 -6.151 -0.118 0.520 1.00 0.00 C ATOM 671 C VAL A 44 -6.080 -1.478 -0.185 1.00 0.00 C ATOM 672 O VAL A 44 -6.989 -1.839 -0.937 1.00 0.00 O ATOM 673 CB VAL A 44 -5.405 0.940 -0.315 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.780 2.340 0.175 1.00 0.00 C ATOM 675 CG2 VAL A 44 -3.889 0.755 -0.184 1.00 0.00 C ATOM 0 H VAL A 44 -4.689 0.216 2.003 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.196 0.180 0.605 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.691 0.821 -1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.251 3.087 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.855 2.487 0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.502 2.445 1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.377 1.511 -0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.599 0.860 0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.611 -0.237 -0.540 1.00 0.00 H new ATOM 685 N MET A 45 -5.002 -2.235 0.067 1.00 0.00 N ATOM 686 CA MET A 45 -4.843 -3.560 -0.549 1.00 0.00 C ATOM 687 C MET A 45 -5.901 -4.532 -0.025 1.00 0.00 C ATOM 688 O MET A 45 -6.347 -5.425 -0.745 1.00 0.00 O ATOM 689 CB MET A 45 -3.457 -4.134 -0.255 1.00 0.00 C ATOM 690 CG MET A 45 -2.395 -3.243 -0.897 1.00 0.00 C ATOM 691 SD MET A 45 -0.765 -4.004 -0.700 1.00 0.00 S ATOM 692 CE MET A 45 -0.547 -3.608 1.051 1.00 0.00 C ATOM 0 H MET A 45 -4.238 -1.958 0.683 1.00 0.00 H new ATOM 0 HA MET A 45 -4.963 -3.436 -1.625 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.296 -4.193 0.821 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.381 -5.149 -0.645 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.616 -3.101 -1.955 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.405 -2.256 -0.434 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.405 -3.097 1.193 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.359 -2.961 1.381 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.555 -4.528 1.636 1.00 0.00 H new ATOM 702 N ARG A 46 -6.299 -4.338 1.236 1.00 0.00 N ATOM 703 CA ARG A 46 -7.317 -5.194 1.852 1.00 0.00 C ATOM 704 C ARG A 46 -8.616 -5.134 1.048 1.00 0.00 C ATOM 705 O ARG A 46 -9.262 -6.158 0.814 1.00 0.00 O ATOM 706 CB ARG A 46 -7.600 -4.754 3.293 1.00 0.00 C ATOM 707 CG ARG A 46 -6.765 -5.596 4.264 1.00 0.00 C ATOM 708 CD ARG A 46 -7.627 -6.011 5.460 1.00 0.00 C ATOM 709 NE ARG A 46 -8.038 -4.841 6.242 1.00 0.00 N ATOM 710 CZ ARG A 46 -7.215 -4.247 7.119 1.00 0.00 C ATOM 711 NH1 ARG A 46 -5.993 -4.690 7.305 1.00 0.00 N ATOM 712 NH2 ARG A 46 -7.636 -3.209 7.799 1.00 0.00 N ATOM 0 H ARG A 46 -5.936 -3.604 1.845 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.936 -6.215 1.859 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.361 -3.698 3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.661 -4.868 3.517 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.381 -6.481 3.756 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.902 -5.025 4.606 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.509 -6.546 5.109 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.068 -6.699 6.094 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.979 -4.467 6.115 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.657 -5.497 6.779 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.379 -4.227 7.976 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.584 -2.858 7.660 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.016 -2.752 8.468 1.00 0.00 H new ATOM 726 N MET A 47 -8.979 -3.921 0.615 1.00 0.00 N ATOM 727 CA MET A 47 -10.196 -3.727 -0.179 1.00 0.00 C ATOM 728 C MET A 47 -10.053 -4.388 -1.554 1.00 0.00 C ATOM 729 O MET A 47 -11.020 -4.929 -2.094 1.00 0.00 O ATOM 730 CB MET A 47 -10.486 -2.234 -0.367 1.00 0.00 C ATOM 731 CG MET A 47 -11.529 -1.780 0.659 1.00 0.00 C ATOM 732 SD MET A 47 -10.734 -1.551 2.271 1.00 0.00 S ATOM 733 CE MET A 47 -11.224 -3.134 3.002 1.00 0.00 C ATOM 0 H MET A 47 -8.453 -3.067 0.799 1.00 0.00 H new ATOM 0 HA MET A 47 -11.023 -4.189 0.360 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.569 -1.657 -0.248 1.00 0.00 H new ATOM 0 HB3 MET A 47 -10.850 -2.048 -1.377 1.00 0.00 H new ATOM 0 HG2 MET A 47 -11.992 -0.848 0.334 1.00 0.00 H new ATOM 0 HG3 MET A 47 -12.325 -2.521 0.736 1.00 0.00 H new ATOM 0 HE1 MET A 47 -11.155 -3.070 4.088 1.00 0.00 H new ATOM 0 HE2 MET A 47 -12.251 -3.364 2.717 1.00 0.00 H new ATOM 0 HE3 MET A 47 -10.562 -3.922 2.642 1.00 0.00 H new ATOM 743 N LEU A 48 -8.832 -4.346 -2.108 1.00 0.00 N ATOM 744 CA LEU A 48 -8.569 -4.954 -3.417 1.00 0.00 C ATOM 745 C LEU A 48 -8.808 -6.465 -3.363 1.00 0.00 C ATOM 746 O LEU A 48 -9.483 -7.029 -4.228 1.00 0.00 O ATOM 747 CB LEU A 48 -7.117 -4.701 -3.853 1.00 0.00 C ATOM 748 CG LEU A 48 -6.921 -3.620 -4.925 1.00 0.00 C ATOM 749 CD1 LEU A 48 -7.652 -4.019 -6.211 1.00 0.00 C ATOM 750 CD2 LEU A 48 -7.477 -2.288 -4.418 1.00 0.00 C ATOM 0 H LEU A 48 -8.022 -3.903 -1.675 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.250 -4.498 -4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.536 -4.423 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.701 -5.637 -4.227 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.856 -3.517 -5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.508 -3.246 -6.966 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.253 -4.964 -6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.717 -4.130 -6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.337 -1.522 -5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.540 -2.396 -4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.951 -1.996 -3.509 1.00 0.00 H new ATOM 762 N GLY A 49 -8.249 -7.108 -2.333 1.00 0.00 N ATOM 763 CA GLY A 49 -8.403 -8.554 -2.160 1.00 0.00 C ATOM 764 C GLY A 49 -7.080 -9.199 -1.749 1.00 0.00 C ATOM 765 O GLY A 49 -6.629 -10.166 -2.367 1.00 0.00 O ATOM 0 H GLY A 49 -7.690 -6.653 -1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.161 -8.755 -1.403 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.756 -9.000 -3.090 1.00 0.00 H new ATOM 769 N GLN A 50 -6.465 -8.653 -0.694 1.00 0.00 N ATOM 770 CA GLN A 50 -5.191 -9.176 -0.195 1.00 0.00 C ATOM 771 C GLN A 50 -5.020 -8.843 1.286 1.00 0.00 C ATOM 772 O GLN A 50 -5.287 -7.720 1.717 1.00 0.00 O ATOM 773 CB GLN A 50 -4.019 -8.578 -0.978 1.00 0.00 C ATOM 774 CG GLN A 50 -3.507 -9.605 -1.989 1.00 0.00 C ATOM 775 CD GLN A 50 -2.364 -9.001 -2.800 1.00 0.00 C ATOM 776 OE1 GLN A 50 -1.225 -8.952 -2.336 1.00 0.00 O ATOM 777 NE2 GLN A 50 -2.603 -8.532 -3.996 1.00 0.00 N ATOM 0 H GLN A 50 -6.827 -7.854 -0.173 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.200 -10.258 -0.327 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.336 -7.671 -1.493 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.219 -8.293 -0.295 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.165 -10.501 -1.471 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.316 -9.910 -2.653 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.547 -8.573 -4.381 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.846 -8.125 -4.545 1.00 0.00 H new ATOM 786 N ASN A 51 -4.575 -9.836 2.058 1.00 0.00 N ATOM 787 CA ASN A 51 -4.371 -9.645 3.495 1.00 0.00 C ATOM 788 C ASN A 51 -3.002 -10.185 3.928 1.00 0.00 C ATOM 789 O ASN A 51 -2.900 -11.272 4.504 1.00 0.00 O ATOM 790 CB ASN A 51 -5.481 -10.349 4.287 1.00 0.00 C ATOM 791 CG ASN A 51 -5.551 -9.776 5.702 1.00 0.00 C ATOM 792 OD1 ASN A 51 -5.521 -8.558 5.887 1.00 0.00 O ATOM 793 ND2 ASN A 51 -5.647 -10.586 6.719 1.00 0.00 N ATOM 0 H ASN A 51 -4.351 -10.771 1.717 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.405 -8.576 3.703 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.439 -10.217 3.784 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.287 -11.421 4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.697 -10.211 7.666 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.672 -11.594 6.567 1.00 0.00 H new ATOM 800 N PRO A 52 -1.935 -9.422 3.653 1.00 0.00 N ATOM 801 CA PRO A 52 -0.556 -9.814 4.015 1.00 0.00 C ATOM 802 C PRO A 52 -0.200 -9.464 5.465 1.00 0.00 C ATOM 803 O PRO A 52 -1.074 -9.151 6.277 1.00 0.00 O ATOM 804 CB PRO A 52 0.275 -8.983 3.042 1.00 0.00 C ATOM 805 CG PRO A 52 -0.575 -7.784 2.635 1.00 0.00 C ATOM 806 CD PRO A 52 -2.034 -8.122 2.960 1.00 0.00 C ATOM 0 HA PRO A 52 -0.394 -10.890 3.950 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.203 -8.656 3.511 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.550 -9.574 2.169 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.260 -6.890 3.173 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.458 -7.574 1.572 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.491 -7.362 3.594 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.641 -8.192 2.058 1.00 0.00 H new ATOM 814 N THR A 53 1.100 -9.513 5.771 1.00 0.00 N ATOM 815 CA THR A 53 1.584 -9.192 7.117 1.00 0.00 C ATOM 816 C THR A 53 2.225 -7.798 7.111 1.00 0.00 C ATOM 817 O THR A 53 2.383 -7.190 6.052 1.00 0.00 O ATOM 818 CB THR A 53 2.619 -10.237 7.584 1.00 0.00 C ATOM 819 OG1 THR A 53 3.903 -9.920 7.058 1.00 0.00 O ATOM 820 CG2 THR A 53 2.212 -11.633 7.110 1.00 0.00 C ATOM 0 H THR A 53 1.832 -9.770 5.109 1.00 0.00 H new ATOM 0 HA THR A 53 0.740 -9.206 7.807 1.00 0.00 H new ATOM 0 HB THR A 53 2.657 -10.223 8.673 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.554 -10.587 7.360 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.950 -12.361 7.446 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.237 -11.888 7.524 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.159 -11.646 6.021 1.00 0.00 H new ATOM 828 N PRO A 54 2.618 -7.279 8.283 1.00 0.00 N ATOM 829 CA PRO A 54 3.259 -5.948 8.369 1.00 0.00 C ATOM 830 C PRO A 54 4.691 -5.956 7.828 1.00 0.00 C ATOM 831 O PRO A 54 5.190 -4.938 7.345 1.00 0.00 O ATOM 832 CB PRO A 54 3.228 -5.662 9.866 1.00 0.00 C ATOM 833 CG PRO A 54 3.118 -7.005 10.571 1.00 0.00 C ATOM 834 CD PRO A 54 2.464 -7.973 9.583 1.00 0.00 C ATOM 0 HA PRO A 54 2.752 -5.193 7.768 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.130 -5.135 10.177 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.382 -5.023 10.119 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.102 -7.365 10.871 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.521 -6.917 11.478 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.959 -8.944 9.583 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.416 -8.149 9.825 1.00 0.00 H new ATOM 842 N GLU A 55 5.332 -7.125 7.899 1.00 0.00 N ATOM 843 CA GLU A 55 6.699 -7.279 7.398 1.00 0.00 C ATOM 844 C GLU A 55 6.681 -7.534 5.888 1.00 0.00 C ATOM 845 O GLU A 55 7.526 -7.022 5.152 1.00 0.00 O ATOM 846 CB GLU A 55 7.406 -8.452 8.093 1.00 0.00 C ATOM 847 CG GLU A 55 7.142 -8.399 9.602 1.00 0.00 C ATOM 848 CD GLU A 55 8.004 -9.439 10.311 1.00 0.00 C ATOM 849 OE1 GLU A 55 9.144 -9.128 10.619 1.00 0.00 O ATOM 850 OE2 GLU A 55 7.510 -10.531 10.541 1.00 0.00 O ATOM 0 H GLU A 55 4.929 -7.974 8.296 1.00 0.00 H new ATOM 0 HA GLU A 55 7.241 -6.358 7.612 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.048 -9.397 7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.478 -8.408 7.901 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.367 -7.404 9.986 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.088 -8.588 9.803 1.00 0.00 H new ATOM 857 N GLU A 56 5.704 -8.334 5.440 1.00 0.00 N ATOM 858 CA GLU A 56 5.573 -8.661 4.018 1.00 0.00 C ATOM 859 C GLU A 56 5.139 -7.434 3.213 1.00 0.00 C ATOM 860 O GLU A 56 5.763 -7.092 2.206 1.00 0.00 O ATOM 861 CB GLU A 56 4.545 -9.780 3.814 1.00 0.00 C ATOM 862 CG GLU A 56 5.160 -11.125 4.218 1.00 0.00 C ATOM 863 CD GLU A 56 5.981 -11.685 3.058 1.00 0.00 C ATOM 864 OE1 GLU A 56 7.161 -11.378 2.991 1.00 0.00 O ATOM 865 OE2 GLU A 56 5.418 -12.410 2.255 1.00 0.00 O ATOM 0 H GLU A 56 4.998 -8.763 6.039 1.00 0.00 H new ATOM 0 HA GLU A 56 6.549 -8.994 3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.654 -9.582 4.411 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.229 -9.812 2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.793 -10.997 5.096 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.373 -11.828 4.492 1.00 0.00 H new ATOM 872 N LEU A 57 4.066 -6.772 3.669 1.00 0.00 N ATOM 873 CA LEU A 57 3.561 -5.579 2.981 1.00 0.00 C ATOM 874 C LEU A 57 4.614 -4.461 2.977 1.00 0.00 C ATOM 875 O LEU A 57 4.641 -3.635 2.063 1.00 0.00 O ATOM 876 CB LEU A 57 2.261 -5.078 3.643 1.00 0.00 C ATOM 877 CG LEU A 57 2.286 -3.644 4.193 1.00 0.00 C ATOM 878 CD1 LEU A 57 0.854 -3.135 4.365 1.00 0.00 C ATOM 879 CD2 LEU A 57 2.997 -3.621 5.552 1.00 0.00 C ATOM 0 H LEU A 57 3.538 -7.039 4.500 1.00 0.00 H new ATOM 0 HA LEU A 57 3.345 -5.855 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.455 -5.150 2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.011 -5.754 4.461 1.00 0.00 H new ATOM 0 HG LEU A 57 2.821 -3.003 3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.874 -2.117 4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.346 -3.144 3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.320 -3.781 5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.012 -2.602 5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.465 -4.266 6.252 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.020 -3.979 5.434 1.00 0.00 H new ATOM 891 N GLN A 58 5.478 -4.447 4.003 1.00 0.00 N ATOM 892 CA GLN A 58 6.528 -3.426 4.103 1.00 0.00 C ATOM 893 C GLN A 58 7.353 -3.368 2.815 1.00 0.00 C ATOM 894 O GLN A 58 7.667 -2.287 2.316 1.00 0.00 O ATOM 895 CB GLN A 58 7.467 -3.720 5.283 1.00 0.00 C ATOM 896 CG GLN A 58 7.573 -2.481 6.180 1.00 0.00 C ATOM 897 CD GLN A 58 8.159 -1.314 5.386 1.00 0.00 C ATOM 898 OE1 GLN A 58 9.377 -1.178 5.278 1.00 0.00 O ATOM 899 NE2 GLN A 58 7.353 -0.456 4.818 1.00 0.00 N ATOM 0 H GLN A 58 5.470 -5.123 4.766 1.00 0.00 H new ATOM 0 HA GLN A 58 6.036 -2.466 4.263 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.090 -4.566 5.858 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.454 -3.999 4.914 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.588 -2.213 6.564 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.203 -2.698 7.043 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.343 -0.569 4.907 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.734 0.326 4.285 1.00 0.00 H new ATOM 908 N GLU A 59 7.691 -4.546 2.281 1.00 0.00 N ATOM 909 CA GLU A 59 8.474 -4.626 1.045 1.00 0.00 C ATOM 910 C GLU A 59 7.689 -4.049 -0.135 1.00 0.00 C ATOM 911 O GLU A 59 8.240 -3.318 -0.957 1.00 0.00 O ATOM 912 CB GLU A 59 8.837 -6.080 0.728 1.00 0.00 C ATOM 913 CG GLU A 59 10.133 -6.461 1.449 1.00 0.00 C ATOM 914 CD GLU A 59 10.882 -7.508 0.628 1.00 0.00 C ATOM 915 OE1 GLU A 59 11.627 -7.118 -0.256 1.00 0.00 O ATOM 916 OE2 GLU A 59 10.697 -8.684 0.895 1.00 0.00 O ATOM 0 H GLU A 59 7.437 -5.449 2.681 1.00 0.00 H new ATOM 0 HA GLU A 59 9.384 -4.045 1.196 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.029 -6.742 1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.958 -6.208 -0.348 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.757 -5.578 1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.908 -6.853 2.441 1.00 0.00 H new ATOM 923 N MET A 60 6.395 -4.388 -0.209 1.00 0.00 N ATOM 924 CA MET A 60 5.534 -3.906 -1.295 1.00 0.00 C ATOM 925 C MET A 60 5.471 -2.378 -1.304 1.00 0.00 C ATOM 926 O MET A 60 5.529 -1.754 -2.363 1.00 0.00 O ATOM 927 CB MET A 60 4.111 -4.459 -1.149 1.00 0.00 C ATOM 928 CG MET A 60 4.112 -5.966 -1.413 1.00 0.00 C ATOM 929 SD MET A 60 2.407 -6.573 -1.427 1.00 0.00 S ATOM 930 CE MET A 60 2.769 -8.267 -1.950 1.00 0.00 C ATOM 0 H MET A 60 5.924 -4.990 0.466 1.00 0.00 H new ATOM 0 HA MET A 60 5.966 -4.256 -2.232 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.733 -4.256 -0.147 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.443 -3.958 -1.849 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.594 -6.179 -2.367 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.687 -6.481 -0.644 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.839 -8.831 -2.025 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.263 -8.250 -2.922 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.423 -8.742 -1.219 1.00 0.00 H new ATOM 940 N ILE A 61 5.350 -1.786 -0.110 1.00 0.00 N ATOM 941 CA ILE A 61 5.275 -0.330 0.022 1.00 0.00 C ATOM 942 C ILE A 61 6.486 0.342 -0.633 1.00 0.00 C ATOM 943 O ILE A 61 6.357 1.019 -1.652 1.00 0.00 O ATOM 944 CB ILE A 61 5.215 0.045 1.507 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.868 -0.407 2.074 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.372 1.556 1.679 1.00 0.00 C ATOM 947 CD1 ILE A 61 4.045 -0.835 3.526 1.00 0.00 C ATOM 0 H ILE A 61 5.302 -2.292 0.774 1.00 0.00 H new ATOM 0 HA ILE A 61 4.375 0.019 -0.484 1.00 0.00 H new ATOM 0 HB ILE A 61 6.027 -0.448 2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.143 0.405 2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.473 -1.235 1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.327 1.808 2.738 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.333 1.871 1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.568 2.068 1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.085 -1.157 3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.756 -1.660 3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.421 0.005 4.110 1.00 0.00 H new ATOM 959 N ASP A 62 7.659 0.148 -0.029 1.00 0.00 N ATOM 960 CA ASP A 62 8.899 0.735 -0.550 1.00 0.00 C ATOM 961 C ASP A 62 9.111 0.377 -2.029 1.00 0.00 C ATOM 962 O ASP A 62 9.652 1.175 -2.797 1.00 0.00 O ATOM 963 CB ASP A 62 10.100 0.241 0.261 1.00 0.00 C ATOM 964 CG ASP A 62 10.002 0.758 1.695 1.00 0.00 C ATOM 965 OD1 ASP A 62 10.469 1.858 1.942 1.00 0.00 O ATOM 966 OD2 ASP A 62 9.459 0.046 2.524 1.00 0.00 O ATOM 0 H ASP A 62 7.779 -0.408 0.818 1.00 0.00 H new ATOM 0 HA ASP A 62 8.811 1.818 -0.462 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.129 -0.849 0.258 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.027 0.586 -0.197 1.00 0.00 H new ATOM 971 N GLU A 63 8.681 -0.832 -2.416 1.00 0.00 N ATOM 972 CA GLU A 63 8.831 -1.291 -3.804 1.00 0.00 C ATOM 973 C GLU A 63 8.027 -0.415 -4.770 1.00 0.00 C ATOM 974 O GLU A 63 8.544 0.024 -5.799 1.00 0.00 O ATOM 975 CB GLU A 63 8.353 -2.744 -3.949 1.00 0.00 C ATOM 976 CG GLU A 63 9.512 -3.705 -3.668 1.00 0.00 C ATOM 977 CD GLU A 63 9.043 -5.144 -3.874 1.00 0.00 C ATOM 978 OE1 GLU A 63 8.481 -5.704 -2.945 1.00 0.00 O ATOM 979 OE2 GLU A 63 9.250 -5.667 -4.958 1.00 0.00 O ATOM 0 H GLU A 63 8.231 -1.504 -1.795 1.00 0.00 H new ATOM 0 HA GLU A 63 9.890 -1.222 -4.052 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.533 -2.937 -3.257 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.967 -2.910 -4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.349 -3.486 -4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.870 -3.571 -2.647 1.00 0.00 H new ATOM 986 N VAL A 64 6.753 -0.180 -4.435 1.00 0.00 N ATOM 987 CA VAL A 64 5.877 0.631 -5.294 1.00 0.00 C ATOM 988 C VAL A 64 6.192 2.130 -5.186 1.00 0.00 C ATOM 989 O VAL A 64 5.831 2.903 -6.075 1.00 0.00 O ATOM 990 CB VAL A 64 4.396 0.409 -4.944 1.00 0.00 C ATOM 991 CG1 VAL A 64 4.073 -1.088 -4.952 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.090 0.991 -3.560 1.00 0.00 C ATOM 0 H VAL A 64 6.309 -0.533 -3.588 1.00 0.00 H new ATOM 0 HA VAL A 64 6.065 0.306 -6.317 1.00 0.00 H new ATOM 0 HB VAL A 64 3.782 0.913 -5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.022 -1.235 -4.703 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.272 -1.498 -5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.695 -1.598 -4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.039 0.829 -3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.712 0.499 -2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.301 2.060 -3.560 1.00 0.00 H new ATOM 1002 N ASP A 65 6.858 2.538 -4.093 1.00 0.00 N ATOM 1003 CA ASP A 65 7.197 3.950 -3.902 1.00 0.00 C ATOM 1004 C ASP A 65 8.241 4.374 -4.937 1.00 0.00 C ATOM 1005 O ASP A 65 9.448 4.222 -4.731 1.00 0.00 O ATOM 1006 CB ASP A 65 7.749 4.196 -2.489 1.00 0.00 C ATOM 1007 CG ASP A 65 7.191 5.504 -1.916 1.00 0.00 C ATOM 1008 OD1 ASP A 65 6.989 6.438 -2.678 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.980 5.553 -0.717 1.00 0.00 O ATOM 0 H ASP A 65 7.166 1.919 -3.343 1.00 0.00 H new ATOM 0 HA ASP A 65 6.289 4.540 -4.028 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.482 3.364 -1.838 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.838 4.241 -2.520 1.00 0.00 H new ATOM 1014 N GLU A 66 7.748 4.885 -6.066 1.00 0.00 N ATOM 1015 CA GLU A 66 8.624 5.311 -7.161 1.00 0.00 C ATOM 1016 C GLU A 66 9.334 6.632 -6.845 1.00 0.00 C ATOM 1017 O GLU A 66 10.497 6.818 -7.209 1.00 0.00 O ATOM 1018 CB GLU A 66 7.815 5.482 -8.451 1.00 0.00 C ATOM 1019 CG GLU A 66 7.334 4.112 -8.944 1.00 0.00 C ATOM 1020 CD GLU A 66 6.037 4.279 -9.733 1.00 0.00 C ATOM 1021 OE1 GLU A 66 4.995 4.385 -9.108 1.00 0.00 O ATOM 1022 OE2 GLU A 66 6.105 4.298 -10.951 1.00 0.00 O ATOM 0 H GLU A 66 6.752 5.014 -6.247 1.00 0.00 H new ATOM 0 HA GLU A 66 9.378 4.534 -7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.961 6.135 -8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.428 5.960 -9.215 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.097 3.652 -9.572 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.173 3.445 -8.097 1.00 0.00 H new ATOM 1029 N ASP A 67 8.628 7.547 -6.173 1.00 0.00 N ATOM 1030 CA ASP A 67 9.218 8.849 -5.831 1.00 0.00 C ATOM 1031 C ASP A 67 9.823 8.834 -4.425 1.00 0.00 C ATOM 1032 O ASP A 67 10.881 9.423 -4.195 1.00 0.00 O ATOM 1033 CB ASP A 67 8.184 9.990 -5.925 1.00 0.00 C ATOM 1034 CG ASP A 67 6.804 9.520 -5.461 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.619 9.365 -4.265 1.00 0.00 O ATOM 1036 OD2 ASP A 67 5.951 9.328 -6.312 1.00 0.00 O ATOM 0 H ASP A 67 7.666 7.417 -5.859 1.00 0.00 H new ATOM 0 HA ASP A 67 10.007 9.031 -6.560 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.510 10.832 -5.314 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.124 10.347 -6.953 1.00 0.00 H new ATOM 1041 N GLY A 68 9.142 8.168 -3.488 1.00 0.00 N ATOM 1042 CA GLY A 68 9.623 8.100 -2.109 1.00 0.00 C ATOM 1043 C GLY A 68 9.408 9.438 -1.407 1.00 0.00 C ATOM 1044 O GLY A 68 10.309 9.968 -0.757 1.00 0.00 O ATOM 0 H GLY A 68 8.266 7.674 -3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.097 7.311 -1.572 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.682 7.842 -2.098 1.00 0.00 H new ATOM 1048 N SER A 69 8.198 9.979 -1.561 1.00 0.00 N ATOM 1049 CA SER A 69 7.852 11.265 -0.956 1.00 0.00 C ATOM 1050 C SER A 69 7.270 11.071 0.446 1.00 0.00 C ATOM 1051 O SER A 69 7.708 11.706 1.408 1.00 0.00 O ATOM 1052 CB SER A 69 6.831 12.000 -1.830 1.00 0.00 C ATOM 1053 OG SER A 69 5.720 11.146 -2.086 1.00 0.00 O ATOM 0 H SER A 69 7.445 9.548 -2.097 1.00 0.00 H new ATOM 0 HA SER A 69 8.764 11.857 -0.879 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.496 12.909 -1.330 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.293 12.304 -2.769 1.00 0.00 H new ATOM 0 HG SER A 69 5.923 10.565 -2.848 1.00 0.00 H new ATOM 1059 N GLY A 70 6.272 10.191 0.543 1.00 0.00 N ATOM 1060 CA GLY A 70 5.613 9.911 1.819 1.00 0.00 C ATOM 1061 C GLY A 70 4.212 9.344 1.585 1.00 0.00 C ATOM 1062 O GLY A 70 3.736 8.499 2.345 1.00 0.00 O ATOM 0 H GLY A 70 5.903 9.661 -0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.208 9.201 2.394 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.548 10.825 2.410 1.00 0.00 H new ATOM 1066 N THR A 71 3.565 9.824 0.518 1.00 0.00 N ATOM 1067 CA THR A 71 2.218 9.372 0.169 1.00 0.00 C ATOM 1068 C THR A 71 2.259 8.521 -1.099 1.00 0.00 C ATOM 1069 O THR A 71 3.133 8.698 -1.952 1.00 0.00 O ATOM 1070 CB THR A 71 1.294 10.574 -0.067 1.00 0.00 C ATOM 1071 OG1 THR A 71 1.739 11.302 -1.205 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.319 11.485 1.160 1.00 0.00 C ATOM 0 H THR A 71 3.952 10.523 -0.116 1.00 0.00 H new ATOM 0 HA THR A 71 1.834 8.777 0.998 1.00 0.00 H new ATOM 0 HB THR A 71 0.277 10.220 -0.238 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.147 12.068 -1.355 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.663 12.339 0.993 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.976 10.929 2.033 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.336 11.837 1.331 1.00 0.00 H new ATOM 1080 N VAL A 72 1.302 7.600 -1.216 1.00 0.00 N ATOM 1081 CA VAL A 72 1.235 6.729 -2.389 1.00 0.00 C ATOM 1082 C VAL A 72 0.227 7.276 -3.395 1.00 0.00 C ATOM 1083 O VAL A 72 -0.968 7.378 -3.107 1.00 0.00 O ATOM 1084 CB VAL A 72 0.829 5.304 -1.992 1.00 0.00 C ATOM 1085 CG1 VAL A 72 1.001 4.371 -3.194 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.713 4.820 -0.839 1.00 0.00 C ATOM 0 H VAL A 72 0.571 7.439 -0.523 1.00 0.00 H new ATOM 0 HA VAL A 72 2.226 6.701 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.214 5.300 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.713 3.358 -2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.370 4.714 -4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.043 4.376 -3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.423 3.807 -0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.757 4.824 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.590 5.483 0.017 1.00 0.00 H new ATOM 1096 N ASP A 73 0.723 7.616 -4.584 1.00 0.00 N ATOM 1097 CA ASP A 73 -0.135 8.147 -5.644 1.00 0.00 C ATOM 1098 C ASP A 73 -0.778 6.995 -6.414 1.00 0.00 C ATOM 1099 O ASP A 73 -0.511 5.825 -6.137 1.00 0.00 O ATOM 1100 CB ASP A 73 0.683 9.000 -6.625 1.00 0.00 C ATOM 1101 CG ASP A 73 1.233 10.239 -5.917 1.00 0.00 C ATOM 1102 OD1 ASP A 73 2.182 10.100 -5.160 1.00 0.00 O ATOM 1103 OD2 ASP A 73 0.700 11.312 -6.151 1.00 0.00 O ATOM 0 H ASP A 73 1.708 7.534 -4.837 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.904 8.766 -5.183 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.504 8.411 -7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.058 9.300 -7.466 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.626 7.334 -7.388 1.00 0.00 N ATOM 1109 CA PHE A 74 -2.292 6.311 -8.194 1.00 0.00 C ATOM 1110 C PHE A 74 -1.269 5.542 -9.032 1.00 0.00 C ATOM 1111 O PHE A 74 -1.410 4.337 -9.243 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.342 6.941 -9.120 1.00 0.00 C ATOM 1113 CG PHE A 74 -4.313 5.881 -9.592 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.797 4.919 -8.696 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.730 5.863 -10.927 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.695 3.941 -9.136 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.630 4.886 -11.367 1.00 0.00 C ATOM 1118 CZ PHE A 74 -6.112 3.924 -10.471 1.00 0.00 C ATOM 0 H PHE A 74 -1.865 8.295 -7.635 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.792 5.622 -7.513 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.879 7.730 -8.593 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.853 7.406 -9.976 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.477 4.933 -7.665 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.357 6.604 -11.619 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.066 3.199 -8.445 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.953 4.874 -12.398 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.806 3.169 -10.811 1.00 0.00 H new ATOM 1128 N ASP A 75 -0.223 6.246 -9.486 1.00 0.00 N ATOM 1129 CA ASP A 75 0.834 5.614 -10.278 1.00 0.00 C ATOM 1130 C ASP A 75 1.578 4.585 -9.427 1.00 0.00 C ATOM 1131 O ASP A 75 1.910 3.495 -9.896 1.00 0.00 O ATOM 1132 CB ASP A 75 1.826 6.666 -10.781 1.00 0.00 C ATOM 1133 CG ASP A 75 1.357 7.202 -12.130 1.00 0.00 C ATOM 1134 OD1 ASP A 75 0.554 8.120 -12.134 1.00 0.00 O ATOM 1135 OD2 ASP A 75 1.805 6.682 -13.140 1.00 0.00 O ATOM 0 H ASP A 75 -0.089 7.243 -9.319 1.00 0.00 H new ATOM 0 HA ASP A 75 0.375 5.118 -11.133 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.905 7.481 -10.061 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.820 6.228 -10.877 1.00 0.00 H new ATOM 1140 N GLU A 76 1.807 4.941 -8.158 1.00 0.00 N ATOM 1141 CA GLU A 76 2.486 4.048 -7.213 1.00 0.00 C ATOM 1142 C GLU A 76 1.520 2.963 -6.725 1.00 0.00 C ATOM 1143 O GLU A 76 1.935 1.902 -6.260 1.00 0.00 O ATOM 1144 CB GLU A 76 2.997 4.834 -5.999 1.00 0.00 C ATOM 1145 CG GLU A 76 3.567 6.182 -6.452 1.00 0.00 C ATOM 1146 CD GLU A 76 4.324 6.834 -5.298 1.00 0.00 C ATOM 1147 OE1 GLU A 76 5.501 6.554 -5.153 1.00 0.00 O ATOM 1148 OE2 GLU A 76 3.719 7.611 -4.581 1.00 0.00 O ATOM 0 H GLU A 76 1.532 5.840 -7.762 1.00 0.00 H new ATOM 0 HA GLU A 76 3.329 3.590 -7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.185 4.993 -5.290 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.765 4.260 -5.481 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.234 6.039 -7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.761 6.835 -6.786 1.00 0.00 H new ATOM 1155 N PHE A 77 0.224 3.252 -6.833 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.811 2.315 -6.408 1.00 0.00 C ATOM 1157 C PHE A 77 -1.015 1.211 -7.452 1.00 0.00 C ATOM 1158 O PHE A 77 -1.215 0.046 -7.104 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.126 3.076 -6.190 1.00 0.00 C ATOM 1160 CG PHE A 77 -3.158 2.183 -5.549 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -3.010 1.777 -4.215 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -4.267 1.768 -6.289 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.977 0.955 -3.626 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -5.234 0.946 -5.699 1.00 0.00 C ATOM 1165 CZ PHE A 77 -5.088 0.539 -4.368 1.00 0.00 C ATOM 0 H PHE A 77 -0.133 4.129 -7.212 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.496 1.846 -5.476 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.948 3.946 -5.558 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.500 3.446 -7.144 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.152 2.098 -3.644 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.379 2.081 -7.317 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.866 0.642 -2.598 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.093 0.626 -6.271 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.833 -0.097 -3.913 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.973 1.593 -8.732 1.00 0.00 N ATOM 1176 CA LEU A 78 -1.168 0.636 -9.826 1.00 0.00 C ATOM 1177 C LEU A 78 0.075 -0.227 -10.069 1.00 0.00 C ATOM 1178 O LEU A 78 -0.047 -1.385 -10.476 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.505 1.380 -11.111 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.809 2.179 -11.073 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.667 3.404 -11.975 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.966 1.301 -11.560 1.00 0.00 C ATOM 0 H LEU A 78 -0.807 2.553 -9.035 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.988 -0.020 -9.535 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.686 2.061 -11.344 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.562 0.659 -11.926 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.017 2.500 -10.052 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.592 3.980 -11.954 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.845 4.025 -11.619 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.463 3.082 -12.996 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.894 1.873 -11.532 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.771 0.976 -12.582 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.058 0.428 -10.913 1.00 0.00 H new ATOM 1194 N VAL A 79 1.268 0.338 -9.825 1.00 0.00 N ATOM 1195 CA VAL A 79 2.513 -0.418 -10.036 1.00 0.00 C ATOM 1196 C VAL A 79 2.526 -1.700 -9.203 1.00 0.00 C ATOM 1197 O VAL A 79 3.199 -2.665 -9.555 1.00 0.00 O ATOM 1198 CB VAL A 79 3.759 0.408 -9.690 1.00 0.00 C ATOM 1199 CG1 VAL A 79 3.999 1.456 -10.778 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.582 1.107 -8.342 1.00 0.00 C ATOM 0 H VAL A 79 1.397 1.293 -9.489 1.00 0.00 H new ATOM 0 HA VAL A 79 2.542 -0.666 -11.097 1.00 0.00 H new ATOM 0 HB VAL A 79 4.616 -0.263 -9.629 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.884 2.042 -10.530 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.150 0.958 -11.736 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.134 2.116 -10.844 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.475 1.688 -8.113 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.719 1.771 -8.387 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.425 0.361 -7.563 1.00 0.00 H new ATOM 1210 N MET A 80 1.766 -1.697 -8.100 1.00 0.00 N ATOM 1211 CA MET A 80 1.675 -2.869 -7.216 1.00 0.00 C ATOM 1212 C MET A 80 1.508 -4.174 -8.015 1.00 0.00 C ATOM 1213 O MET A 80 1.988 -5.230 -7.599 1.00 0.00 O ATOM 1214 CB MET A 80 0.478 -2.721 -6.272 1.00 0.00 C ATOM 1215 CG MET A 80 0.944 -2.140 -4.936 1.00 0.00 C ATOM 1216 SD MET A 80 -0.274 -2.524 -3.654 1.00 0.00 S ATOM 1217 CE MET A 80 -1.530 -1.323 -4.159 1.00 0.00 C ATOM 0 H MET A 80 1.207 -0.899 -7.798 1.00 0.00 H new ATOM 0 HA MET A 80 2.605 -2.920 -6.650 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.273 -2.070 -6.720 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.006 -3.690 -6.113 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.915 -2.555 -4.666 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.071 -1.061 -5.021 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.331 -1.302 -3.420 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.078 -0.334 -4.233 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.938 -1.609 -5.128 1.00 0.00 H new ATOM 1227 N MET A 81 0.820 -4.090 -9.161 1.00 0.00 N ATOM 1228 CA MET A 81 0.596 -5.269 -10.003 1.00 0.00 C ATOM 1229 C MET A 81 1.860 -5.644 -10.788 1.00 0.00 C ATOM 1230 O MET A 81 2.300 -6.795 -10.762 1.00 0.00 O ATOM 1231 CB MET A 81 -0.542 -5.008 -10.998 1.00 0.00 C ATOM 1232 CG MET A 81 -1.889 -5.308 -10.334 1.00 0.00 C ATOM 1233 SD MET A 81 -2.262 -7.073 -10.489 1.00 0.00 S ATOM 1234 CE MET A 81 -1.857 -7.549 -8.790 1.00 0.00 C ATOM 0 H MET A 81 0.413 -3.227 -9.522 1.00 0.00 H new ATOM 0 HA MET A 81 0.331 -6.094 -9.341 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.514 -3.971 -11.333 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.415 -5.632 -11.882 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.859 -5.023 -9.282 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.676 -4.717 -10.802 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.032 -8.262 -8.799 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.566 -6.664 -8.224 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.728 -8.008 -8.323 1.00 0.00 H new ATOM 1244 N VAL A 82 2.423 -4.663 -11.503 1.00 0.00 N ATOM 1245 CA VAL A 82 3.627 -4.900 -12.319 1.00 0.00 C ATOM 1246 C VAL A 82 4.873 -5.172 -11.462 1.00 0.00 C ATOM 1247 O VAL A 82 5.744 -5.943 -11.865 1.00 0.00 O ATOM 1248 CB VAL A 82 3.907 -3.707 -13.250 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.809 -3.614 -14.313 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.942 -2.403 -12.443 1.00 0.00 C ATOM 0 H VAL A 82 2.071 -3.706 -11.536 1.00 0.00 H new ATOM 0 HA VAL A 82 3.421 -5.790 -12.913 1.00 0.00 H new ATOM 0 HB VAL A 82 4.873 -3.857 -13.732 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.010 -2.768 -14.971 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.791 -4.533 -14.899 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.843 -3.474 -13.827 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.141 -1.566 -13.112 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.981 -2.254 -11.951 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.729 -2.461 -11.691 1.00 0.00 H new ATOM 1260 N ARG A 83 4.959 -4.541 -10.282 1.00 0.00 N ATOM 1261 CA ARG A 83 6.119 -4.740 -9.399 1.00 0.00 C ATOM 1262 C ARG A 83 6.295 -6.219 -9.025 1.00 0.00 C ATOM 1263 O ARG A 83 7.396 -6.649 -8.680 1.00 0.00 O ATOM 1264 CB ARG A 83 5.992 -3.902 -8.116 1.00 0.00 C ATOM 1265 CG ARG A 83 4.779 -4.358 -7.300 1.00 0.00 C ATOM 1266 CD ARG A 83 5.075 -4.204 -5.805 1.00 0.00 C ATOM 1267 NE ARG A 83 5.722 -5.407 -5.276 1.00 0.00 N ATOM 1268 CZ ARG A 83 5.030 -6.522 -4.999 1.00 0.00 C ATOM 1269 NH1 ARG A 83 3.733 -6.578 -5.199 1.00 0.00 N ATOM 1270 NH2 ARG A 83 5.655 -7.568 -4.524 1.00 0.00 N ATOM 0 H ARG A 83 4.253 -3.899 -9.921 1.00 0.00 H new ATOM 0 HA ARG A 83 6.998 -4.411 -9.954 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.898 -4.000 -7.518 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.891 -2.847 -8.371 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.904 -3.767 -7.570 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.545 -5.398 -7.529 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.719 -3.339 -5.644 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.148 -4.016 -5.264 1.00 0.00 H new ATOM 0 HE ARG A 83 6.729 -5.396 -5.113 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.239 -5.766 -5.570 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.220 -7.433 -4.984 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.662 -7.532 -4.367 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.135 -8.419 -4.311 1.00 0.00 H new ATOM 1284 N CYS A 84 5.202 -6.992 -9.106 1.00 0.00 N ATOM 1285 CA CYS A 84 5.257 -8.421 -8.786 1.00 0.00 C ATOM 1286 C CYS A 84 6.134 -9.168 -9.798 1.00 0.00 C ATOM 1287 O CYS A 84 6.858 -10.098 -9.437 1.00 0.00 O ATOM 1288 CB CYS A 84 3.851 -9.030 -8.798 1.00 0.00 C ATOM 1289 SG CYS A 84 3.805 -10.465 -7.696 1.00 0.00 S ATOM 0 H CYS A 84 4.281 -6.655 -9.387 1.00 0.00 H new ATOM 0 HA CYS A 84 5.688 -8.523 -7.790 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.119 -8.288 -8.477 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.581 -9.327 -9.811 1.00 0.00 H new ATOM 0 HG CYS A 84 2.612 -10.981 -7.704 1.00 0.00 H new ATOM 1295 N MET A 85 6.064 -8.744 -11.068 1.00 0.00 N ATOM 1296 CA MET A 85 6.860 -9.373 -12.126 1.00 0.00 C ATOM 1297 C MET A 85 8.353 -9.186 -11.855 1.00 0.00 C ATOM 1298 O MET A 85 9.122 -10.151 -11.881 1.00 0.00 O ATOM 1299 CB MET A 85 6.523 -8.766 -13.495 1.00 0.00 C ATOM 1300 CG MET A 85 5.347 -9.521 -14.121 1.00 0.00 C ATOM 1301 SD MET A 85 3.803 -8.647 -13.757 1.00 0.00 S ATOM 1302 CE MET A 85 2.775 -10.111 -13.487 1.00 0.00 C ATOM 0 H MET A 85 5.471 -7.977 -11.383 1.00 0.00 H new ATOM 0 HA MET A 85 6.620 -10.436 -12.134 1.00 0.00 H new ATOM 0 HB2 MET A 85 6.272 -7.711 -13.384 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.392 -8.819 -14.151 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.486 -9.602 -15.199 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.303 -10.537 -13.728 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.758 -9.802 -13.244 1.00 0.00 H new ATOM 0 HE2 MET A 85 2.763 -10.719 -14.392 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.184 -10.695 -12.663 1.00 0.00 H new ATOM 1312 N LYS A 86 8.753 -7.936 -11.591 1.00 0.00 N ATOM 1313 CA LYS A 86 10.158 -7.636 -11.311 1.00 0.00 C ATOM 1314 C LYS A 86 10.561 -8.200 -9.947 1.00 0.00 C ATOM 1315 O LYS A 86 11.283 -9.196 -9.869 1.00 0.00 O ATOM 1316 CB LYS A 86 10.406 -6.121 -11.327 1.00 0.00 C ATOM 1317 CG LYS A 86 10.990 -5.707 -12.679 1.00 0.00 C ATOM 1318 CD LYS A 86 11.956 -4.536 -12.483 1.00 0.00 C ATOM 1319 CE LYS A 86 12.851 -4.394 -13.717 1.00 0.00 C ATOM 1320 NZ LYS A 86 13.469 -3.037 -13.736 1.00 0.00 N ATOM 0 H LYS A 86 8.132 -7.128 -11.566 1.00 0.00 H new ATOM 0 HA LYS A 86 10.762 -8.102 -12.089 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.473 -5.588 -11.145 1.00 0.00 H new ATOM 0 HB3 LYS A 86 11.091 -5.847 -10.525 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.511 -6.549 -13.135 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.189 -5.421 -13.360 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.397 -3.615 -12.319 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.567 -4.701 -11.596 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.628 -5.158 -13.704 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.265 -4.550 -14.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 14.076 -2.944 -14.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.721 -2.315 -13.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.042 -2.904 -12.878 1.00 0.00 H new ATOM 1334 N ASP A 87 10.077 -7.553 -8.876 1.00 0.00 N ATOM 1335 CA ASP A 87 10.374 -7.980 -7.504 1.00 0.00 C ATOM 1336 C ASP A 87 11.881 -8.151 -7.290 1.00 0.00 C ATOM 1337 O ASP A 87 12.423 -9.255 -7.402 1.00 0.00 O ATOM 1338 CB ASP A 87 9.660 -9.296 -7.175 1.00 0.00 C ATOM 1339 CG ASP A 87 9.387 -9.363 -5.675 1.00 0.00 C ATOM 1340 OD1 ASP A 87 8.428 -8.745 -5.237 1.00 0.00 O ATOM 1341 OD2 ASP A 87 10.143 -10.026 -4.984 1.00 0.00 O ATOM 0 H ASP A 87 9.477 -6.730 -8.936 1.00 0.00 H new ATOM 0 HA ASP A 87 10.011 -7.199 -6.836 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.724 -9.363 -7.730 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.274 -10.142 -7.482 1.00 0.00 H new ATOM 1346 N ASP A 88 12.552 -7.039 -6.977 1.00 0.00 N ATOM 1347 CA ASP A 88 13.996 -7.066 -6.744 1.00 0.00 C ATOM 1348 C ASP A 88 14.316 -7.835 -5.461 1.00 0.00 C ATOM 1349 O ASP A 88 14.031 -7.372 -4.355 1.00 0.00 O ATOM 1350 CB ASP A 88 14.552 -5.642 -6.629 1.00 0.00 C ATOM 1351 CG ASP A 88 16.050 -5.654 -6.925 1.00 0.00 C ATOM 1352 OD1 ASP A 88 16.815 -5.898 -6.004 1.00 0.00 O ATOM 1353 OD2 ASP A 88 16.410 -5.419 -8.066 1.00 0.00 O ATOM 0 H ASP A 88 12.123 -6.119 -6.880 1.00 0.00 H new ATOM 0 HA ASP A 88 14.463 -7.566 -7.593 1.00 0.00 H new ATOM 0 HB2 ASP A 88 14.038 -4.982 -7.328 1.00 0.00 H new ATOM 0 HB3 ASP A 88 14.371 -5.250 -5.628 1.00 0.00 H new ATOM 1358 N SER A 89 14.909 -9.019 -5.630 1.00 0.00 N ATOM 1359 CA SER A 89 15.269 -9.861 -4.489 1.00 0.00 C ATOM 1360 C SER A 89 16.772 -10.142 -4.482 1.00 0.00 C ATOM 1361 O SER A 89 17.392 -9.903 -3.459 1.00 0.00 O ATOM 1362 CB SER A 89 14.507 -11.188 -4.542 1.00 0.00 C ATOM 1363 OG SER A 89 14.475 -11.765 -3.243 1.00 0.00 O ATOM 1364 OXT SER A 89 17.282 -10.590 -5.498 1.00 0.00 O ATOM 0 H SER A 89 15.148 -9.414 -6.540 1.00 0.00 H new ATOM 0 HA SER A 89 15.000 -9.327 -3.578 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.492 -11.023 -4.904 1.00 0.00 H new ATOM 0 HB3 SER A 89 14.989 -11.869 -5.243 1.00 0.00 H new ATOM 0 HG SER A 89 13.986 -12.614 -3.274 1.00 0.00 H new TER 1370 SER A 89 HETATM 1371 CA CA A 90 5.264 8.522 -3.100 1.00 0.00 CA