USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 654 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 45 LYS NZ :NH3+ 131:sc= -0.0554 (180deg=-0.538) USER MOD Set 1.2: A 82 HIS : no HD1:sc= -2.74 K(o=-2.8,f=-4.5) USER MOD Single : A 1 GLY N :NH3+ 173:sc= 0 (180deg=-0.0427) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 35:sc= 0.505 USER MOD Single : A 6 SER OG : rot -116:sc= 0.575 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 9 GLN : amide:sc= -0.234 K(o=-0.23,f=-1.5!) USER MOD Single : A 10 ASN : amide:sc= -0.174 K(o=-0.17,f=-1.5) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 74:sc=0.000605 USER MOD Single : A 17 ASN : amide:sc= 0.637 K(o=0.64,f=-0.026) USER MOD Single : A 19 THR OG1 : rot 72:sc= 0.0519 USER MOD Single : A 22 GLN : amide:sc= -0.185 K(o=-0.18,f=-3.4!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 24 LYS NZ :NH3+ -168:sc= -1.74! (180deg=-1.85!) USER MOD Single : A 25 ASN : amide:sc= -0.175 K(o=-0.18,f=-0.87) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.6! K(o=-2.6!,f=-0.88) USER MOD Single : A 34 HIS : no HD1:sc= -16.4! C(o=-16!,f=-15!) USER MOD Single : A 39 ASN : amide:sc= -2.43! C(o=-2.4!,f=-5.9!) USER MOD Single : A 47 THR OG1 : rot 84:sc= 1.17 USER MOD Single : A 49 MET CE :methyl 140:sc= -1.45 (180deg=-4.26!) USER MOD Single : A 53 MET CE :methyl -114:sc= -0.89 (180deg=-3.31!) USER MOD Single : A 55 ASN : amide:sc= -12.6! C(o=-13!,f=-12!) USER MOD Single : A 60 ASN : amide:sc= 0.468 X(o=0.47,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -116:sc= -1.11 (180deg=-1.65) USER MOD Single : A 73 GLN : amide:sc= -0.495 X(o=-0.49,f=-0.33) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.105 -12.006 -17.202 1.00 0.00 N ATOM 2 CA GLY A 1 6.467 -11.524 -17.568 1.00 0.00 C ATOM 3 C GLY A 1 6.773 -11.706 -19.044 1.00 0.00 C ATOM 4 O GLY A 1 7.899 -12.036 -19.415 1.00 0.00 O ATOM 0 H1 GLY A 1 4.990 -11.970 -16.169 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.390 -11.400 -17.652 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.984 -12.986 -17.529 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.557 -10.469 -17.309 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.209 -12.061 -16.978 1.00 0.00 H new ATOM 10 N SER A 2 5.768 -11.493 -19.887 1.00 0.00 N ATOM 11 CA SER A 2 5.938 -11.635 -21.328 1.00 0.00 C ATOM 12 C SER A 2 6.635 -10.413 -21.915 1.00 0.00 C ATOM 13 O SER A 2 6.065 -9.323 -21.963 1.00 0.00 O ATOM 14 CB SER A 2 4.581 -11.837 -22.005 1.00 0.00 C ATOM 15 OG SER A 2 3.970 -13.041 -21.578 1.00 0.00 O ATOM 0 H SER A 2 4.828 -11.222 -19.597 1.00 0.00 H new ATOM 0 HA SER A 2 6.561 -12.510 -21.511 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.929 -10.994 -21.777 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.711 -11.856 -23.087 1.00 0.00 H new ATOM 0 HG SER A 2 3.104 -13.145 -22.025 1.00 0.00 H new ATOM 21 N SER A 3 7.874 -10.601 -22.356 1.00 0.00 N ATOM 22 CA SER A 3 8.651 -9.513 -22.938 1.00 0.00 C ATOM 23 C SER A 3 9.151 -9.884 -24.332 1.00 0.00 C ATOM 24 O SER A 3 9.916 -10.834 -24.497 1.00 0.00 O ATOM 25 CB SER A 3 9.837 -9.168 -22.035 1.00 0.00 C ATOM 26 OG SER A 3 10.722 -10.268 -21.910 1.00 0.00 O ATOM 0 H SER A 3 8.362 -11.496 -22.322 1.00 0.00 H new ATOM 0 HA SER A 3 8.001 -8.642 -23.025 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.373 -8.312 -22.445 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.474 -8.876 -21.050 1.00 0.00 H new ATOM 0 HG SER A 3 10.752 -10.761 -22.756 1.00 0.00 H new ATOM 32 N LEU A 4 8.713 -9.125 -25.331 1.00 0.00 N ATOM 33 CA LEU A 4 9.116 -9.372 -26.711 1.00 0.00 C ATOM 34 C LEU A 4 10.616 -9.165 -26.885 1.00 0.00 C ATOM 35 O LEU A 4 11.325 -8.854 -25.928 1.00 0.00 O ATOM 36 CB LEU A 4 8.344 -8.453 -27.661 1.00 0.00 C ATOM 37 CG LEU A 4 7.079 -9.062 -28.268 1.00 0.00 C ATOM 38 CD1 LEU A 4 6.370 -8.047 -29.151 1.00 0.00 C ATOM 39 CD2 LEU A 4 7.417 -10.318 -29.058 1.00 0.00 C ATOM 0 H LEU A 4 8.080 -8.335 -25.211 1.00 0.00 H new ATOM 0 HA LEU A 4 8.883 -10.409 -26.953 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.069 -7.547 -27.121 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.009 -8.153 -28.471 1.00 0.00 H new ATOM 0 HG LEU A 4 6.406 -9.339 -27.457 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.472 -8.497 -29.575 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.093 -7.177 -28.555 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.036 -7.738 -29.957 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.505 -10.737 -29.482 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.109 -10.067 -29.862 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.879 -11.050 -28.396 1.00 0.00 H new ATOM 51 N ALA A 5 11.095 -9.337 -28.113 1.00 0.00 N ATOM 52 CA ALA A 5 12.511 -9.167 -28.413 1.00 0.00 C ATOM 53 C ALA A 5 12.923 -7.702 -28.307 1.00 0.00 C ATOM 54 O ALA A 5 12.823 -6.949 -29.276 1.00 0.00 O ATOM 55 CB ALA A 5 12.825 -9.713 -29.798 1.00 0.00 C ATOM 0 H ALA A 5 10.522 -9.594 -28.917 1.00 0.00 H new ATOM 0 HA ALA A 5 13.085 -9.729 -27.677 1.00 0.00 H new ATOM 0 HB1 ALA A 5 13.886 -9.580 -30.010 1.00 0.00 H new ATOM 0 HB2 ALA A 5 12.578 -10.774 -29.835 1.00 0.00 H new ATOM 0 HB3 ALA A 5 12.236 -9.177 -30.542 1.00 0.00 H new ATOM 61 N SER A 6 13.383 -7.305 -27.127 1.00 0.00 N ATOM 62 CA SER A 6 13.812 -5.930 -26.895 1.00 0.00 C ATOM 63 C SER A 6 15.266 -5.736 -27.313 1.00 0.00 C ATOM 64 O SER A 6 16.102 -6.617 -27.110 1.00 0.00 O ATOM 65 CB SER A 6 13.635 -5.563 -25.420 1.00 0.00 C ATOM 66 OG SER A 6 14.407 -4.422 -25.082 1.00 0.00 O ATOM 0 H SER A 6 13.469 -7.916 -26.315 1.00 0.00 H new ATOM 0 HA SER A 6 13.190 -5.272 -27.502 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.583 -5.368 -25.214 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.931 -6.405 -24.794 1.00 0.00 H new ATOM 0 HG SER A 6 15.088 -4.671 -24.423 1.00 0.00 H new ATOM 72 N GLN A 7 15.559 -4.578 -27.896 1.00 0.00 N ATOM 73 CA GLN A 7 16.914 -4.270 -28.341 1.00 0.00 C ATOM 74 C GLN A 7 17.844 -4.076 -27.148 1.00 0.00 C ATOM 75 O GLN A 7 18.947 -4.621 -27.112 1.00 0.00 O ATOM 76 CB GLN A 7 16.914 -3.014 -29.212 1.00 0.00 C ATOM 77 CG GLN A 7 18.254 -2.732 -29.872 1.00 0.00 C ATOM 78 CD GLN A 7 18.234 -1.472 -30.715 1.00 0.00 C ATOM 79 OE1 GLN A 7 17.337 -1.274 -31.535 1.00 0.00 O ATOM 80 NE2 GLN A 7 19.230 -0.615 -30.522 1.00 0.00 N ATOM 0 H GLN A 7 14.878 -3.839 -28.071 1.00 0.00 H new ATOM 0 HA GLN A 7 17.278 -5.111 -28.931 1.00 0.00 H new ATOM 0 HB2 GLN A 7 16.152 -3.118 -29.985 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.632 -2.157 -28.600 1.00 0.00 H new ATOM 0 HG2 GLN A 7 19.021 -2.638 -29.103 1.00 0.00 H new ATOM 0 HG3 GLN A 7 18.532 -3.580 -30.498 1.00 0.00 H new ATOM 0 HE21 GLN A 7 19.952 -0.820 -29.832 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.273 0.248 -31.064 1.00 0.00 H new ATOM 89 N GLY A 8 17.390 -3.296 -26.173 1.00 0.00 N ATOM 90 CA GLY A 8 18.193 -3.045 -24.992 1.00 0.00 C ATOM 91 C GLY A 8 17.693 -3.807 -23.781 1.00 0.00 C ATOM 92 O GLY A 8 16.516 -3.719 -23.427 1.00 0.00 O ATOM 0 H GLY A 8 16.481 -2.834 -26.180 1.00 0.00 H new ATOM 0 HA2 GLY A 8 19.227 -3.325 -25.193 1.00 0.00 H new ATOM 0 HA3 GLY A 8 18.189 -1.977 -24.773 1.00 0.00 H new ATOM 96 N GLN A 9 18.585 -4.558 -23.145 1.00 0.00 N ATOM 97 CA GLN A 9 18.226 -5.338 -21.966 1.00 0.00 C ATOM 98 C GLN A 9 18.477 -4.546 -20.686 1.00 0.00 C ATOM 99 O GLN A 9 18.907 -5.100 -19.675 1.00 0.00 O ATOM 100 CB GLN A 9 19.016 -6.648 -21.933 1.00 0.00 C ATOM 101 CG GLN A 9 20.523 -6.448 -21.926 1.00 0.00 C ATOM 102 CD GLN A 9 21.209 -7.123 -23.096 1.00 0.00 C ATOM 103 OE1 GLN A 9 20.596 -7.361 -24.137 1.00 0.00 O ATOM 104 NE2 GLN A 9 22.490 -7.437 -22.931 1.00 0.00 N ATOM 0 H GLN A 9 19.562 -4.643 -23.426 1.00 0.00 H new ATOM 0 HA GLN A 9 17.162 -5.565 -22.026 1.00 0.00 H new ATOM 0 HB2 GLN A 9 18.729 -7.214 -21.047 1.00 0.00 H new ATOM 0 HB3 GLN A 9 18.742 -7.250 -22.799 1.00 0.00 H new ATOM 0 HG2 GLN A 9 20.744 -5.381 -21.947 1.00 0.00 H new ATOM 0 HG3 GLN A 9 20.933 -6.840 -20.995 1.00 0.00 H new ATOM 0 HE21 GLN A 9 22.959 -7.221 -22.051 1.00 0.00 H new ATOM 0 HE22 GLN A 9 23.004 -7.894 -23.684 1.00 0.00 H new ATOM 113 N ASN A 10 18.201 -3.246 -20.737 1.00 0.00 N ATOM 114 CA ASN A 10 18.392 -2.380 -19.582 1.00 0.00 C ATOM 115 C ASN A 10 17.409 -2.725 -18.465 1.00 0.00 C ATOM 116 O ASN A 10 17.568 -2.277 -17.329 1.00 0.00 O ATOM 117 CB ASN A 10 18.224 -0.914 -19.991 1.00 0.00 C ATOM 118 CG ASN A 10 18.838 0.042 -18.985 1.00 0.00 C ATOM 119 OD1 ASN A 10 19.343 -0.377 -17.943 1.00 0.00 O ATOM 120 ND2 ASN A 10 18.795 1.333 -19.292 1.00 0.00 N ATOM 0 H ASN A 10 17.845 -2.771 -21.566 1.00 0.00 H new ATOM 0 HA ASN A 10 19.403 -2.536 -19.206 1.00 0.00 H new ATOM 0 HB2 ASN A 10 18.685 -0.757 -20.966 1.00 0.00 H new ATOM 0 HB3 ASN A 10 17.163 -0.690 -20.100 1.00 0.00 H new ATOM 0 HD21 ASN A 10 19.191 2.023 -18.653 1.00 0.00 H new ATOM 0 HD22 ASN A 10 18.367 1.635 -20.167 1.00 0.00 H new ATOM 127 N LEU A 11 16.394 -3.521 -18.789 1.00 0.00 N ATOM 128 CA LEU A 11 15.391 -3.919 -17.809 1.00 0.00 C ATOM 129 C LEU A 11 15.911 -5.041 -16.915 1.00 0.00 C ATOM 130 O LEU A 11 15.516 -5.157 -15.754 1.00 0.00 O ATOM 131 CB LEU A 11 14.111 -4.368 -18.519 1.00 0.00 C ATOM 132 CG LEU A 11 13.538 -3.361 -19.519 1.00 0.00 C ATOM 133 CD1 LEU A 11 12.393 -3.982 -20.307 1.00 0.00 C ATOM 134 CD2 LEU A 11 13.076 -2.099 -18.800 1.00 0.00 C ATOM 0 H LEU A 11 16.245 -3.903 -19.723 1.00 0.00 H new ATOM 0 HA LEU A 11 15.171 -3.056 -17.181 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.313 -5.302 -19.043 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.352 -4.582 -17.766 1.00 0.00 H new ATOM 0 HG LEU A 11 14.325 -3.086 -20.221 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.998 -3.251 -21.013 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.757 -4.853 -20.852 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.603 -4.287 -19.621 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.671 -1.394 -19.526 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.304 -2.356 -18.074 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.922 -1.644 -18.284 1.00 0.00 H new ATOM 146 N SER A 12 16.798 -5.868 -17.461 1.00 0.00 N ATOM 147 CA SER A 12 17.368 -6.981 -16.709 1.00 0.00 C ATOM 148 C SER A 12 18.585 -6.535 -15.903 1.00 0.00 C ATOM 149 O SER A 12 18.956 -7.174 -14.917 1.00 0.00 O ATOM 150 CB SER A 12 17.758 -8.116 -17.660 1.00 0.00 C ATOM 151 OG SER A 12 16.805 -9.166 -17.622 1.00 0.00 O ATOM 0 H SER A 12 17.137 -5.789 -18.420 1.00 0.00 H new ATOM 0 HA SER A 12 16.611 -7.340 -16.012 1.00 0.00 H new ATOM 0 HB2 SER A 12 17.839 -7.731 -18.677 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.740 -8.502 -17.387 1.00 0.00 H new ATOM 0 HG SER A 12 17.077 -9.877 -18.239 1.00 0.00 H new ATOM 157 N THR A 13 19.207 -5.439 -16.327 1.00 0.00 N ATOM 158 CA THR A 13 20.382 -4.913 -15.642 1.00 0.00 C ATOM 159 C THR A 13 19.993 -4.231 -14.332 1.00 0.00 C ATOM 160 O THR A 13 20.167 -4.794 -13.252 1.00 0.00 O ATOM 161 CB THR A 13 21.125 -3.928 -16.552 1.00 0.00 C ATOM 162 OG1 THR A 13 21.600 -4.579 -17.721 1.00 0.00 O ATOM 163 CG2 THR A 13 22.311 -3.268 -15.884 1.00 0.00 C ATOM 0 H THR A 13 18.917 -4.898 -17.142 1.00 0.00 H new ATOM 0 HA THR A 13 21.042 -5.748 -15.406 1.00 0.00 H new ATOM 0 HB THR A 13 20.392 -3.159 -16.797 1.00 0.00 H new ATOM 0 HG1 THR A 13 20.849 -4.755 -18.325 1.00 0.00 H new ATOM 0 HG21 THR A 13 22.789 -2.584 -16.585 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.973 -2.713 -15.009 1.00 0.00 H new ATOM 0 HG23 THR A 13 23.026 -4.031 -15.576 1.00 0.00 H new ATOM 171 N VAL A 14 19.466 -3.017 -14.439 1.00 0.00 N ATOM 172 CA VAL A 14 19.049 -2.254 -13.268 1.00 0.00 C ATOM 173 C VAL A 14 17.835 -2.903 -12.601 1.00 0.00 C ATOM 174 O VAL A 14 17.195 -3.776 -13.184 1.00 0.00 O ATOM 175 CB VAL A 14 18.728 -0.794 -13.663 1.00 0.00 C ATOM 176 CG1 VAL A 14 17.586 -0.742 -14.669 1.00 0.00 C ATOM 177 CG2 VAL A 14 18.412 0.054 -12.440 1.00 0.00 C ATOM 0 H VAL A 14 19.317 -2.538 -15.327 1.00 0.00 H new ATOM 0 HA VAL A 14 19.871 -2.250 -12.553 1.00 0.00 H new ATOM 0 HB VAL A 14 19.617 -0.376 -14.136 1.00 0.00 H new ATOM 0 HG11 VAL A 14 17.379 0.296 -14.931 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.866 -1.294 -15.566 1.00 0.00 H new ATOM 0 HG13 VAL A 14 16.694 -1.190 -14.231 1.00 0.00 H new ATOM 0 HG21 VAL A 14 18.191 1.075 -12.752 1.00 0.00 H new ATOM 0 HG22 VAL A 14 17.548 -0.362 -11.922 1.00 0.00 H new ATOM 0 HG23 VAL A 14 19.270 0.058 -11.768 1.00 0.00 H new ATOM 187 N LEU A 15 17.528 -2.483 -11.372 1.00 0.00 N ATOM 188 CA LEU A 15 16.397 -3.034 -10.626 1.00 0.00 C ATOM 189 C LEU A 15 15.059 -2.525 -11.168 1.00 0.00 C ATOM 190 O LEU A 15 14.067 -2.474 -10.440 1.00 0.00 O ATOM 191 CB LEU A 15 16.519 -2.678 -9.142 1.00 0.00 C ATOM 192 CG LEU A 15 17.440 -3.590 -8.327 1.00 0.00 C ATOM 193 CD1 LEU A 15 18.876 -3.096 -8.396 1.00 0.00 C ATOM 194 CD2 LEU A 15 16.968 -3.670 -6.881 1.00 0.00 C ATOM 0 H LEU A 15 18.048 -1.762 -10.872 1.00 0.00 H new ATOM 0 HA LEU A 15 16.421 -4.117 -10.747 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.882 -1.654 -9.059 1.00 0.00 H new ATOM 0 HB3 LEU A 15 15.525 -2.701 -8.696 1.00 0.00 H new ATOM 0 HG LEU A 15 17.402 -4.591 -8.756 1.00 0.00 H new ATOM 0 HD11 LEU A 15 19.516 -3.756 -7.811 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.210 -3.092 -9.434 1.00 0.00 H new ATOM 0 HD13 LEU A 15 18.933 -2.085 -7.993 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.634 -4.322 -6.316 1.00 0.00 H new ATOM 0 HD22 LEU A 15 16.976 -2.673 -6.440 1.00 0.00 H new ATOM 0 HD23 LEU A 15 15.955 -4.072 -6.851 1.00 0.00 H new ATOM 206 N ALA A 16 15.033 -2.160 -12.446 1.00 0.00 N ATOM 207 CA ALA A 16 13.814 -1.668 -13.077 1.00 0.00 C ATOM 208 C ALA A 16 12.716 -2.732 -13.069 1.00 0.00 C ATOM 209 O ALA A 16 11.548 -2.430 -13.310 1.00 0.00 O ATOM 210 CB ALA A 16 14.106 -1.218 -14.499 1.00 0.00 C ATOM 0 H ALA A 16 15.843 -2.196 -13.065 1.00 0.00 H new ATOM 0 HA ALA A 16 13.455 -0.815 -12.501 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.189 -0.853 -14.961 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.847 -0.419 -14.483 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.492 -2.059 -15.075 1.00 0.00 H new ATOM 216 N ASN A 17 13.093 -3.979 -12.784 1.00 0.00 N ATOM 217 CA ASN A 17 12.136 -5.077 -12.741 1.00 0.00 C ATOM 218 C ASN A 17 11.458 -5.158 -11.372 1.00 0.00 C ATOM 219 O ASN A 17 10.516 -5.927 -11.183 1.00 0.00 O ATOM 220 CB ASN A 17 12.839 -6.401 -13.055 1.00 0.00 C ATOM 221 CG ASN A 17 12.482 -6.937 -14.427 1.00 0.00 C ATOM 222 OD1 ASN A 17 11.712 -7.890 -14.554 1.00 0.00 O ATOM 223 ND2 ASN A 17 13.042 -6.325 -15.465 1.00 0.00 N ATOM 0 H ASN A 17 14.055 -4.250 -12.580 1.00 0.00 H new ATOM 0 HA ASN A 17 11.370 -4.890 -13.493 1.00 0.00 H new ATOM 0 HB2 ASN A 17 13.918 -6.259 -12.993 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.571 -7.139 -12.299 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.840 -6.641 -16.413 1.00 0.00 H new ATOM 0 HD22 ASN A 17 13.674 -5.539 -15.313 1.00 0.00 H new ATOM 230 N LEU A 18 11.946 -4.362 -10.424 1.00 0.00 N ATOM 231 CA LEU A 18 11.390 -4.347 -9.078 1.00 0.00 C ATOM 232 C LEU A 18 10.590 -3.070 -8.841 1.00 0.00 C ATOM 233 O LEU A 18 10.865 -2.319 -7.904 1.00 0.00 O ATOM 234 CB LEU A 18 12.509 -4.460 -8.038 1.00 0.00 C ATOM 235 CG LEU A 18 13.215 -5.818 -7.984 1.00 0.00 C ATOM 236 CD1 LEU A 18 12.203 -6.939 -7.815 1.00 0.00 C ATOM 237 CD2 LEU A 18 14.056 -6.039 -9.233 1.00 0.00 C ATOM 0 H LEU A 18 12.726 -3.720 -10.565 1.00 0.00 H new ATOM 0 HA LEU A 18 10.722 -5.202 -8.976 1.00 0.00 H new ATOM 0 HB2 LEU A 18 13.253 -3.690 -8.243 1.00 0.00 H new ATOM 0 HB3 LEU A 18 12.092 -4.246 -7.054 1.00 0.00 H new ATOM 0 HG LEU A 18 13.881 -5.822 -7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.723 -7.896 -7.779 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.648 -6.792 -6.888 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.511 -6.934 -8.657 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.548 -7.010 -9.173 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.414 -6.011 -10.113 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.809 -5.254 -9.308 1.00 0.00 H new ATOM 249 N THR A 19 9.600 -2.827 -9.691 1.00 0.00 N ATOM 250 CA THR A 19 8.768 -1.639 -9.568 1.00 0.00 C ATOM 251 C THR A 19 7.601 -1.872 -8.604 1.00 0.00 C ATOM 252 O THR A 19 7.421 -1.112 -7.656 1.00 0.00 O ATOM 253 CB THR A 19 8.242 -1.208 -10.942 1.00 0.00 C ATOM 254 OG1 THR A 19 9.312 -0.871 -11.813 1.00 0.00 O ATOM 255 CG2 THR A 19 7.313 -0.015 -10.881 1.00 0.00 C ATOM 0 H THR A 19 9.355 -3.436 -10.471 1.00 0.00 H new ATOM 0 HA THR A 19 9.388 -0.841 -9.160 1.00 0.00 H new ATOM 0 HB THR A 19 7.685 -2.067 -11.315 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.786 -1.686 -12.079 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.978 0.237 -11.887 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.450 -0.257 -10.261 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.841 0.836 -10.451 1.00 0.00 H new ATOM 263 N PRO A 20 6.788 -2.927 -8.823 1.00 0.00 N ATOM 264 CA PRO A 20 5.643 -3.223 -7.952 1.00 0.00 C ATOM 265 C PRO A 20 6.069 -3.622 -6.543 1.00 0.00 C ATOM 266 O PRO A 20 5.287 -3.516 -5.597 1.00 0.00 O ATOM 267 CB PRO A 20 4.945 -4.391 -8.655 1.00 0.00 C ATOM 268 CG PRO A 20 6.002 -5.023 -9.489 1.00 0.00 C ATOM 269 CD PRO A 20 6.910 -3.906 -9.920 1.00 0.00 C ATOM 0 HA PRO A 20 5.004 -2.351 -7.816 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.535 -5.098 -7.934 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.113 -4.043 -9.268 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.550 -5.775 -8.921 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.568 -5.529 -10.352 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.938 -4.247 -10.042 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.600 -3.481 -10.875 1.00 0.00 H new ATOM 277 N GLU A 21 7.308 -4.083 -6.409 1.00 0.00 N ATOM 278 CA GLU A 21 7.830 -4.492 -5.111 1.00 0.00 C ATOM 279 C GLU A 21 8.283 -3.284 -4.301 1.00 0.00 C ATOM 280 O GLU A 21 8.001 -3.181 -3.107 1.00 0.00 O ATOM 281 CB GLU A 21 8.997 -5.464 -5.291 1.00 0.00 C ATOM 282 CG GLU A 21 9.439 -6.128 -3.997 1.00 0.00 C ATOM 283 CD GLU A 21 10.151 -7.445 -4.232 1.00 0.00 C ATOM 284 OE1 GLU A 21 9.925 -8.062 -5.295 1.00 0.00 O ATOM 285 OE2 GLU A 21 10.935 -7.863 -3.354 1.00 0.00 O ATOM 0 H GLU A 21 7.967 -4.182 -7.181 1.00 0.00 H new ATOM 0 HA GLU A 21 7.028 -4.992 -4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.710 -6.235 -6.006 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.843 -4.928 -5.722 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.101 -5.453 -3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.568 -6.298 -3.364 1.00 0.00 H new ATOM 292 N GLN A 22 8.990 -2.370 -4.959 1.00 0.00 N ATOM 293 CA GLN A 22 9.485 -1.169 -4.301 1.00 0.00 C ATOM 294 C GLN A 22 8.387 -0.114 -4.189 1.00 0.00 C ATOM 295 O GLN A 22 8.275 0.572 -3.172 1.00 0.00 O ATOM 296 CB GLN A 22 10.680 -0.598 -5.067 1.00 0.00 C ATOM 297 CG GLN A 22 11.743 -1.633 -5.387 1.00 0.00 C ATOM 298 CD GLN A 22 12.594 -1.995 -4.187 1.00 0.00 C ATOM 299 OE1 GLN A 22 12.200 -1.779 -3.042 1.00 0.00 O ATOM 300 NE2 GLN A 22 13.774 -2.551 -4.445 1.00 0.00 N ATOM 0 H GLN A 22 9.232 -2.440 -5.947 1.00 0.00 H new ATOM 0 HA GLN A 22 9.803 -1.443 -3.295 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.326 -0.152 -5.997 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.129 0.203 -4.480 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.263 -2.533 -5.770 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.386 -1.253 -6.181 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.062 -2.712 -5.410 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.392 -2.816 -3.678 1.00 0.00 H new ATOM 309 N GLN A 23 7.584 0.017 -5.242 1.00 0.00 N ATOM 310 CA GLN A 23 6.497 0.992 -5.263 1.00 0.00 C ATOM 311 C GLN A 23 5.553 0.788 -4.083 1.00 0.00 C ATOM 312 O GLN A 23 5.197 1.736 -3.392 1.00 0.00 O ATOM 313 CB GLN A 23 5.717 0.903 -6.574 1.00 0.00 C ATOM 314 CG GLN A 23 4.983 2.184 -6.933 1.00 0.00 C ATOM 315 CD GLN A 23 5.771 3.048 -7.898 1.00 0.00 C ATOM 316 OE1 GLN A 23 6.975 3.242 -7.734 1.00 0.00 O ATOM 317 NE2 GLN A 23 5.093 3.573 -8.911 1.00 0.00 N ATOM 0 H GLN A 23 7.666 -0.540 -6.092 1.00 0.00 H new ATOM 0 HA GLN A 23 6.941 1.984 -5.183 1.00 0.00 H new ATOM 0 HB2 GLN A 23 6.406 0.650 -7.380 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.996 0.088 -6.504 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.019 1.935 -7.376 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.780 2.751 -6.024 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.095 3.386 -9.008 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.570 4.164 -9.592 1.00 0.00 H new ATOM 326 N LYS A 24 5.145 -0.452 -3.855 1.00 0.00 N ATOM 327 CA LYS A 24 4.242 -0.756 -2.753 1.00 0.00 C ATOM 328 C LYS A 24 4.866 -0.348 -1.421 1.00 0.00 C ATOM 329 O LYS A 24 4.209 0.258 -0.573 1.00 0.00 O ATOM 330 CB LYS A 24 3.905 -2.247 -2.743 1.00 0.00 C ATOM 331 CG LYS A 24 2.861 -2.637 -3.776 1.00 0.00 C ATOM 332 CD LYS A 24 1.460 -2.262 -3.318 1.00 0.00 C ATOM 333 CE LYS A 24 0.691 -3.476 -2.830 1.00 0.00 C ATOM 334 NZ LYS A 24 -0.767 -3.359 -3.109 1.00 0.00 N ATOM 0 H LYS A 24 5.422 -1.259 -4.414 1.00 0.00 H new ATOM 0 HA LYS A 24 3.322 -0.188 -2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.815 -2.819 -2.924 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.546 -2.524 -1.752 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.081 -2.142 -4.722 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.911 -3.710 -3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.523 -1.524 -2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.920 -1.795 -4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.082 -4.372 -3.313 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.847 -3.598 -1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.280 -4.099 -2.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.105 -2.424 -2.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.936 -3.473 -4.129 1.00 0.00 H new ATOM 348 N ASN A 25 6.141 -0.684 -1.249 1.00 0.00 N ATOM 349 CA ASN A 25 6.868 -0.354 -0.026 1.00 0.00 C ATOM 350 C ASN A 25 6.738 1.130 0.313 1.00 0.00 C ATOM 351 O ASN A 25 6.356 1.488 1.429 1.00 0.00 O ATOM 352 CB ASN A 25 8.344 -0.734 -0.169 1.00 0.00 C ATOM 353 CG ASN A 25 8.654 -2.082 0.457 1.00 0.00 C ATOM 354 OD1 ASN A 25 8.134 -2.420 1.519 1.00 0.00 O ATOM 355 ND2 ASN A 25 9.507 -2.858 -0.203 1.00 0.00 N ATOM 0 H ASN A 25 6.694 -1.186 -1.943 1.00 0.00 H new ATOM 0 HA ASN A 25 6.429 -0.927 0.791 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.611 -0.756 -1.226 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.961 0.032 0.299 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.754 -3.775 0.168 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.914 -2.537 -1.081 1.00 0.00 H new ATOM 362 N VAL A 26 7.058 1.993 -0.651 1.00 0.00 N ATOM 363 CA VAL A 26 6.974 3.437 -0.437 1.00 0.00 C ATOM 364 C VAL A 26 5.566 3.845 -0.017 1.00 0.00 C ATOM 365 O VAL A 26 5.389 4.663 0.887 1.00 0.00 O ATOM 366 CB VAL A 26 7.390 4.229 -1.701 1.00 0.00 C ATOM 367 CG1 VAL A 26 6.232 4.389 -2.677 1.00 0.00 C ATOM 368 CG2 VAL A 26 7.950 5.586 -1.314 1.00 0.00 C ATOM 0 H VAL A 26 7.375 1.720 -1.581 1.00 0.00 H new ATOM 0 HA VAL A 26 7.671 3.680 0.365 1.00 0.00 H new ATOM 0 HB VAL A 26 8.167 3.656 -2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.566 4.950 -3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.882 3.406 -2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.418 4.926 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.238 6.131 -2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.191 6.152 -0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.824 5.451 -0.676 1.00 0.00 H new ATOM 378 N LEU A 27 4.572 3.265 -0.679 1.00 0.00 N ATOM 379 CA LEU A 27 3.177 3.556 -0.382 1.00 0.00 C ATOM 380 C LEU A 27 2.921 3.535 1.121 1.00 0.00 C ATOM 381 O LEU A 27 2.397 4.494 1.678 1.00 0.00 O ATOM 382 CB LEU A 27 2.274 2.530 -1.074 1.00 0.00 C ATOM 383 CG LEU A 27 1.186 3.115 -1.975 1.00 0.00 C ATOM 384 CD1 LEU A 27 1.380 2.659 -3.414 1.00 0.00 C ATOM 385 CD2 LEU A 27 -0.197 2.721 -1.471 1.00 0.00 C ATOM 0 H LEU A 27 4.709 2.587 -1.429 1.00 0.00 H new ATOM 0 HA LEU A 27 2.950 4.555 -0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.899 1.866 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.798 1.916 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 27 1.265 4.202 -1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.596 3.086 -4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.353 2.993 -3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.330 1.571 -3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.958 3.147 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.287 1.635 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.337 3.099 -0.458 1.00 0.00 H new ATOM 397 N GLY A 28 3.296 2.435 1.767 1.00 0.00 N ATOM 398 CA GLY A 28 3.085 2.303 3.196 1.00 0.00 C ATOM 399 C GLY A 28 3.808 3.365 4.004 1.00 0.00 C ATOM 400 O GLY A 28 3.250 3.909 4.957 1.00 0.00 O ATOM 0 H GLY A 28 3.743 1.632 1.325 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.017 2.359 3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.422 1.318 3.518 1.00 0.00 H new ATOM 404 N GLU A 29 5.045 3.669 3.629 1.00 0.00 N ATOM 405 CA GLU A 29 5.816 4.684 4.336 1.00 0.00 C ATOM 406 C GLU A 29 5.132 6.040 4.216 1.00 0.00 C ATOM 407 O GLU A 29 4.848 6.697 5.218 1.00 0.00 O ATOM 408 CB GLU A 29 7.238 4.764 3.777 1.00 0.00 C ATOM 409 CG GLU A 29 8.046 3.491 3.975 1.00 0.00 C ATOM 410 CD GLU A 29 9.477 3.769 4.386 1.00 0.00 C ATOM 411 OE1 GLU A 29 9.681 4.569 5.324 1.00 0.00 O ATOM 412 OE2 GLU A 29 10.395 3.189 3.769 1.00 0.00 O ATOM 0 H GLU A 29 5.532 3.232 2.847 1.00 0.00 H new ATOM 0 HA GLU A 29 5.871 4.405 5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.188 4.990 2.712 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.760 5.593 4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.566 2.875 4.736 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.043 2.915 3.050 1.00 0.00 H new ATOM 419 N ARG A 30 4.865 6.446 2.980 1.00 0.00 N ATOM 420 CA ARG A 30 4.205 7.718 2.717 1.00 0.00 C ATOM 421 C ARG A 30 2.738 7.674 3.149 1.00 0.00 C ATOM 422 O ARG A 30 2.063 8.703 3.183 1.00 0.00 O ATOM 423 CB ARG A 30 4.294 8.067 1.227 1.00 0.00 C ATOM 424 CG ARG A 30 5.677 7.857 0.628 1.00 0.00 C ATOM 425 CD ARG A 30 6.454 9.162 0.546 1.00 0.00 C ATOM 426 NE ARG A 30 7.574 9.070 -0.387 1.00 0.00 N ATOM 427 CZ ARG A 30 7.436 9.024 -1.711 1.00 0.00 C ATOM 428 NH1 ARG A 30 6.231 9.074 -2.262 1.00 0.00 N ATOM 429 NH2 ARG A 30 8.509 8.931 -2.487 1.00 0.00 N ATOM 0 H ARG A 30 5.096 5.911 2.143 1.00 0.00 H new ATOM 0 HA ARG A 30 4.716 8.487 3.297 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.574 7.460 0.678 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.003 9.108 1.089 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.231 7.140 1.233 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.581 7.426 -0.369 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.785 9.964 0.233 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.826 9.426 1.536 1.00 0.00 H new ATOM 0 HE ARG A 30 8.518 9.039 -0.002 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.403 9.148 -1.671 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.132 9.038 -3.277 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.439 8.895 -2.069 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.404 8.896 -3.501 1.00 0.00 H new ATOM 443 N LEU A 31 2.245 6.477 3.472 1.00 0.00 N ATOM 444 CA LEU A 31 0.860 6.308 3.890 1.00 0.00 C ATOM 445 C LEU A 31 0.680 6.672 5.356 1.00 0.00 C ATOM 446 O LEU A 31 -0.072 7.583 5.699 1.00 0.00 O ATOM 447 CB LEU A 31 0.429 4.856 3.674 1.00 0.00 C ATOM 448 CG LEU A 31 -0.823 4.672 2.824 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.486 3.973 1.516 1.00 0.00 C ATOM 450 CD2 LEU A 31 -1.884 3.890 3.593 1.00 0.00 C ATOM 0 H LEU A 31 2.787 5.613 3.451 1.00 0.00 H new ATOM 0 HA LEU A 31 0.242 6.975 3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.251 4.316 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.259 4.395 4.647 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.225 5.658 2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.393 3.851 0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.234 4.572 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.056 2.994 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.770 3.769 2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.491 2.909 3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.150 4.433 4.500 1.00 0.00 H new ATOM 462 N TYR A 32 1.378 5.944 6.217 1.00 0.00 N ATOM 463 CA TYR A 32 1.306 6.167 7.653 1.00 0.00 C ATOM 464 C TYR A 32 1.506 7.639 7.990 1.00 0.00 C ATOM 465 O TYR A 32 0.897 8.158 8.917 1.00 0.00 O ATOM 466 CB TYR A 32 2.366 5.304 8.360 1.00 0.00 C ATOM 467 CG TYR A 32 2.142 5.125 9.850 1.00 0.00 C ATOM 468 CD1 TYR A 32 2.099 6.216 10.707 1.00 0.00 C ATOM 469 CD2 TYR A 32 1.966 3.859 10.396 1.00 0.00 C ATOM 470 CE1 TYR A 32 1.889 6.052 12.063 1.00 0.00 C ATOM 471 CE2 TYR A 32 1.753 3.689 11.751 1.00 0.00 C ATOM 472 CZ TYR A 32 1.713 4.788 12.579 1.00 0.00 C ATOM 473 OH TYR A 32 1.500 4.620 13.928 1.00 0.00 O ATOM 0 H TYR A 32 2.005 5.188 5.942 1.00 0.00 H new ATOM 0 HA TYR A 32 0.314 5.879 8.002 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.389 4.321 7.889 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.346 5.755 8.205 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.232 7.210 10.307 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.996 2.994 9.751 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.863 6.912 12.715 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.618 2.698 12.159 1.00 0.00 H new ATOM 0 HH TYR A 32 1.394 3.666 14.126 1.00 0.00 H new ATOM 483 N ASN A 33 2.366 8.303 7.229 1.00 0.00 N ATOM 484 CA ASN A 33 2.656 9.715 7.451 1.00 0.00 C ATOM 485 C ASN A 33 1.462 10.605 7.132 1.00 0.00 C ATOM 486 O ASN A 33 1.229 11.605 7.812 1.00 0.00 O ATOM 487 CB ASN A 33 3.869 10.133 6.607 1.00 0.00 C ATOM 488 CG ASN A 33 3.995 11.637 6.437 1.00 0.00 C ATOM 489 OD1 ASN A 33 4.897 12.263 6.994 1.00 0.00 O ATOM 490 ND2 ASN A 33 3.086 12.226 5.661 1.00 0.00 N ATOM 0 H ASN A 33 2.876 7.886 6.451 1.00 0.00 H new ATOM 0 HA ASN A 33 2.880 9.845 8.510 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.777 9.750 7.074 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.796 9.668 5.624 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.121 13.234 5.509 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.355 11.669 5.218 1.00 0.00 H new ATOM 497 N HIS A 34 0.715 10.267 6.097 1.00 0.00 N ATOM 498 CA HIS A 34 -0.428 11.080 5.723 1.00 0.00 C ATOM 499 C HIS A 34 -1.450 11.101 6.851 1.00 0.00 C ATOM 500 O HIS A 34 -2.039 12.137 7.157 1.00 0.00 O ATOM 501 CB HIS A 34 -1.064 10.561 4.427 1.00 0.00 C ATOM 502 CG HIS A 34 -1.857 9.298 4.561 1.00 0.00 C ATOM 503 ND1 HIS A 34 -1.663 8.189 3.768 1.00 0.00 N ATOM 504 CD2 HIS A 34 -2.866 8.981 5.396 1.00 0.00 C ATOM 505 CE1 HIS A 34 -2.520 7.245 4.123 1.00 0.00 C ATOM 506 NE2 HIS A 34 -3.261 7.704 5.105 1.00 0.00 N ATOM 0 H HIS A 34 0.875 9.449 5.509 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.084 12.099 5.546 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.715 11.338 4.025 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.273 10.398 3.695 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.287 9.620 6.158 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.597 6.263 3.680 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -4.008 7.192 5.574 1.00 0.00 H new ATOM 515 N ILE A 35 -1.659 9.938 7.442 1.00 0.00 N ATOM 516 CA ILE A 35 -2.624 9.776 8.526 1.00 0.00 C ATOM 517 C ILE A 35 -1.978 9.846 9.918 1.00 0.00 C ATOM 518 O ILE A 35 -2.681 10.024 10.910 1.00 0.00 O ATOM 519 CB ILE A 35 -3.405 8.447 8.383 1.00 0.00 C ATOM 520 CG1 ILE A 35 -4.213 8.144 9.645 1.00 0.00 C ATOM 521 CG2 ILE A 35 -2.468 7.295 8.059 1.00 0.00 C ATOM 522 CD1 ILE A 35 -5.458 7.337 9.371 1.00 0.00 C ATOM 0 H ILE A 35 -1.169 9.080 7.189 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.314 10.616 8.441 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.103 8.562 7.553 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.584 7.602 10.351 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.493 9.082 10.124 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.043 6.374 7.964 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.952 7.499 7.121 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.736 7.185 8.859 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.987 7.155 10.307 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.106 7.888 8.689 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.182 6.384 8.919 1.00 0.00 H new ATOM 534 N VAL A 36 -0.658 9.696 10.009 1.00 0.00 N ATOM 535 CA VAL A 36 0.004 9.743 11.316 1.00 0.00 C ATOM 536 C VAL A 36 -0.322 11.043 12.043 1.00 0.00 C ATOM 537 O VAL A 36 -0.715 11.035 13.210 1.00 0.00 O ATOM 538 CB VAL A 36 1.544 9.596 11.220 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.174 10.776 10.499 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.155 9.437 12.606 1.00 0.00 C ATOM 0 H VAL A 36 -0.036 9.544 9.215 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.381 8.891 11.876 1.00 0.00 H new ATOM 0 HB VAL A 36 1.752 8.698 10.638 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.254 10.638 10.451 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.771 10.842 9.488 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.949 11.695 11.040 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.237 9.335 12.517 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.921 10.314 13.209 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.745 8.548 13.085 1.00 0.00 H new ATOM 550 N ALA A 37 -0.149 12.158 11.342 1.00 0.00 N ATOM 551 CA ALA A 37 -0.416 13.470 11.910 1.00 0.00 C ATOM 552 C ALA A 37 -1.912 13.714 12.033 1.00 0.00 C ATOM 553 O ALA A 37 -2.352 14.573 12.798 1.00 0.00 O ATOM 554 CB ALA A 37 0.230 14.547 11.052 1.00 0.00 C ATOM 0 H ALA A 37 0.176 12.177 10.375 1.00 0.00 H new ATOM 0 HA ALA A 37 0.014 13.508 12.911 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.026 15.527 11.483 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.307 14.384 11.014 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.179 14.502 10.043 1.00 0.00 H new ATOM 560 N ILE A 38 -2.691 12.958 11.268 1.00 0.00 N ATOM 561 CA ILE A 38 -4.144 13.110 11.295 1.00 0.00 C ATOM 562 C ILE A 38 -4.801 12.176 12.309 1.00 0.00 C ATOM 563 O ILE A 38 -5.351 12.629 13.312 1.00 0.00 O ATOM 564 CB ILE A 38 -4.766 12.875 9.906 1.00 0.00 C ATOM 565 CG1 ILE A 38 -3.966 13.626 8.838 1.00 0.00 C ATOM 566 CG2 ILE A 38 -6.224 13.317 9.896 1.00 0.00 C ATOM 567 CD1 ILE A 38 -3.784 15.099 9.136 1.00 0.00 C ATOM 0 H ILE A 38 -2.348 12.241 10.628 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.334 14.139 11.599 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.731 11.809 9.680 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.985 13.161 8.738 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.469 13.518 7.877 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.650 13.145 8.907 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.783 12.745 10.637 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.284 14.378 10.137 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.208 15.564 8.336 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.760 15.579 9.207 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.253 15.216 10.080 1.00 0.00 H new ATOM 579 N ASN A 39 -4.732 10.875 12.051 1.00 0.00 N ATOM 580 CA ASN A 39 -5.313 9.888 12.955 1.00 0.00 C ATOM 581 C ASN A 39 -4.272 8.864 13.400 1.00 0.00 C ATOM 582 O ASN A 39 -4.199 7.763 12.855 1.00 0.00 O ATOM 583 CB ASN A 39 -6.500 9.189 12.293 1.00 0.00 C ATOM 584 CG ASN A 39 -7.814 9.877 12.613 1.00 0.00 C ATOM 585 OD1 ASN A 39 -8.572 10.244 11.719 1.00 0.00 O ATOM 586 ND2 ASN A 39 -8.086 10.060 13.900 1.00 0.00 N ATOM 0 H ASN A 39 -4.281 10.479 11.226 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.667 10.414 13.842 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.354 9.170 11.213 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.543 8.152 12.627 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.953 10.521 14.178 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.428 9.740 14.611 1.00 0.00 H new ATOM 593 N PRO A 40 -3.450 9.215 14.405 1.00 0.00 N ATOM 594 CA PRO A 40 -2.411 8.320 14.924 1.00 0.00 C ATOM 595 C PRO A 40 -2.958 6.942 15.278 1.00 0.00 C ATOM 596 O PRO A 40 -2.242 5.942 15.215 1.00 0.00 O ATOM 597 CB PRO A 40 -1.918 9.039 16.180 1.00 0.00 C ATOM 598 CG PRO A 40 -2.210 10.478 15.931 1.00 0.00 C ATOM 599 CD PRO A 40 -3.471 10.509 15.111 1.00 0.00 C ATOM 0 HA PRO A 40 -1.628 8.134 14.189 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.433 8.679 17.070 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.853 8.873 16.339 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.341 11.018 16.869 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.387 10.957 15.400 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.356 10.610 15.739 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.477 11.347 14.414 1.00 0.00 H new ATOM 607 N ALA A 41 -4.234 6.896 15.649 1.00 0.00 N ATOM 608 CA ALA A 41 -4.881 5.641 16.010 1.00 0.00 C ATOM 609 C ALA A 41 -5.570 5.015 14.804 1.00 0.00 C ATOM 610 O ALA A 41 -6.713 4.564 14.893 1.00 0.00 O ATOM 611 CB ALA A 41 -5.881 5.870 17.135 1.00 0.00 C ATOM 0 H ALA A 41 -4.840 7.714 15.707 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.114 4.948 16.356 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.358 4.925 17.396 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.362 6.268 18.007 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.640 6.581 16.808 1.00 0.00 H new ATOM 617 N ALA A 42 -4.870 4.990 13.675 1.00 0.00 N ATOM 618 CA ALA A 42 -5.415 4.421 12.451 1.00 0.00 C ATOM 619 C ALA A 42 -4.303 4.044 11.486 1.00 0.00 C ATOM 620 O ALA A 42 -4.327 2.971 10.888 1.00 0.00 O ATOM 621 CB ALA A 42 -6.366 5.397 11.794 1.00 0.00 C ATOM 0 H ALA A 42 -3.923 5.358 13.584 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.963 3.516 12.713 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.765 4.957 10.880 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.186 5.622 12.476 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.833 6.317 11.551 1.00 0.00 H new ATOM 627 N ALA A 43 -3.330 4.944 11.340 1.00 0.00 N ATOM 628 CA ALA A 43 -2.192 4.722 10.451 1.00 0.00 C ATOM 629 C ALA A 43 -1.769 3.256 10.459 1.00 0.00 C ATOM 630 O ALA A 43 -1.642 2.625 9.411 1.00 0.00 O ATOM 631 CB ALA A 43 -1.028 5.599 10.872 1.00 0.00 C ATOM 0 H ALA A 43 -3.309 5.838 11.830 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.494 4.984 9.437 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.183 5.428 10.205 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.325 6.647 10.821 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.738 5.354 11.894 1.00 0.00 H new ATOM 637 N ALA A 44 -1.554 2.721 11.659 1.00 0.00 N ATOM 638 CA ALA A 44 -1.146 1.331 11.819 1.00 0.00 C ATOM 639 C ALA A 44 -2.081 0.384 11.072 1.00 0.00 C ATOM 640 O ALA A 44 -1.642 -0.594 10.467 1.00 0.00 O ATOM 641 CB ALA A 44 -1.095 0.969 13.296 1.00 0.00 C ATOM 0 H ALA A 44 -1.656 3.232 12.536 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.151 1.221 11.389 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.789 -0.072 13.405 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.377 1.613 13.804 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.082 1.105 13.738 1.00 0.00 H new ATOM 647 N LYS A 45 -3.375 0.685 11.118 1.00 0.00 N ATOM 648 CA LYS A 45 -4.376 -0.132 10.444 1.00 0.00 C ATOM 649 C LYS A 45 -4.471 0.237 8.970 1.00 0.00 C ATOM 650 O LYS A 45 -4.468 -0.632 8.099 1.00 0.00 O ATOM 651 CB LYS A 45 -5.740 0.041 11.114 1.00 0.00 C ATOM 652 CG LYS A 45 -5.808 -0.545 12.515 1.00 0.00 C ATOM 653 CD LYS A 45 -6.237 -2.006 12.492 1.00 0.00 C ATOM 654 CE LYS A 45 -5.269 -2.885 13.268 1.00 0.00 C ATOM 655 NZ LYS A 45 -5.072 -4.207 12.614 1.00 0.00 N ATOM 0 H LYS A 45 -3.755 1.490 11.616 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.071 -1.176 10.521 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.980 1.103 11.161 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.502 -0.431 10.494 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.832 -0.459 12.993 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.510 0.031 13.117 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.236 -2.099 12.918 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.297 -2.352 11.460 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.309 -2.377 13.356 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.645 -3.033 14.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.055 -4.409 12.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.531 -4.947 13.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.492 -4.190 11.663 1.00 0.00 H new ATOM 669 N VAL A 46 -4.549 1.532 8.698 1.00 0.00 N ATOM 670 CA VAL A 46 -4.637 2.024 7.330 1.00 0.00 C ATOM 671 C VAL A 46 -3.430 1.590 6.514 1.00 0.00 C ATOM 672 O VAL A 46 -3.573 1.065 5.415 1.00 0.00 O ATOM 673 CB VAL A 46 -4.748 3.560 7.299 1.00 0.00 C ATOM 674 CG1 VAL A 46 -4.636 4.085 5.875 1.00 0.00 C ATOM 675 CG2 VAL A 46 -6.050 4.000 7.939 1.00 0.00 C ATOM 0 H VAL A 46 -4.553 2.263 9.409 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.537 1.594 6.890 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.921 3.980 7.871 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.717 5.172 5.880 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.673 3.795 5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.438 3.664 5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.119 5.087 7.912 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.888 3.569 7.391 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.080 3.660 8.974 1.00 0.00 H new ATOM 685 N THR A 47 -2.247 1.823 7.056 1.00 0.00 N ATOM 686 CA THR A 47 -1.005 1.469 6.384 1.00 0.00 C ATOM 687 C THR A 47 -0.883 -0.039 6.193 1.00 0.00 C ATOM 688 O THR A 47 -0.570 -0.515 5.102 1.00 0.00 O ATOM 689 CB THR A 47 0.184 1.996 7.189 1.00 0.00 C ATOM 690 OG1 THR A 47 0.018 3.372 7.480 1.00 0.00 O ATOM 691 CG2 THR A 47 1.512 1.840 6.481 1.00 0.00 C ATOM 0 H THR A 47 -2.119 2.260 7.969 1.00 0.00 H new ATOM 0 HA THR A 47 -1.010 1.929 5.396 1.00 0.00 H new ATOM 0 HB THR A 47 0.203 1.393 8.097 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.542 3.472 8.278 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.309 2.235 7.111 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.696 0.784 6.282 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.489 2.388 5.539 1.00 0.00 H new ATOM 699 N GLY A 48 -1.103 -0.783 7.268 1.00 0.00 N ATOM 700 CA GLY A 48 -0.988 -2.226 7.209 1.00 0.00 C ATOM 701 C GLY A 48 -2.107 -2.869 6.429 1.00 0.00 C ATOM 702 O GLY A 48 -1.864 -3.636 5.498 1.00 0.00 O ATOM 0 H GLY A 48 -1.360 -0.411 8.183 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.034 -2.492 6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.980 -2.627 8.222 1.00 0.00 H new ATOM 706 N MET A 49 -3.336 -2.560 6.811 1.00 0.00 N ATOM 707 CA MET A 49 -4.495 -3.118 6.138 1.00 0.00 C ATOM 708 C MET A 49 -4.700 -2.479 4.775 1.00 0.00 C ATOM 709 O MET A 49 -4.856 -3.183 3.783 1.00 0.00 O ATOM 710 CB MET A 49 -5.753 -2.930 6.988 1.00 0.00 C ATOM 711 CG MET A 49 -5.637 -3.516 8.382 1.00 0.00 C ATOM 712 SD MET A 49 -5.441 -5.307 8.362 1.00 0.00 S ATOM 713 CE MET A 49 -3.665 -5.451 8.184 1.00 0.00 C ATOM 0 H MET A 49 -3.555 -1.928 7.581 1.00 0.00 H new ATOM 0 HA MET A 49 -4.313 -4.183 5.998 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.972 -1.865 7.068 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.598 -3.392 6.478 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.785 -3.066 8.892 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.526 -3.257 8.957 1.00 0.00 H new ATOM 0 HE1 MET A 49 -3.301 -6.265 8.811 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.419 -5.658 7.142 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.192 -4.518 8.490 1.00 0.00 H new ATOM 723 N LEU A 50 -4.724 -1.138 4.752 1.00 0.00 N ATOM 724 CA LEU A 50 -4.951 -0.355 3.524 1.00 0.00 C ATOM 725 C LEU A 50 -5.760 -1.117 2.478 1.00 0.00 C ATOM 726 O LEU A 50 -6.895 -0.755 2.165 1.00 0.00 O ATOM 727 CB LEU A 50 -3.627 0.076 2.901 1.00 0.00 C ATOM 728 CG LEU A 50 -3.775 1.052 1.731 1.00 0.00 C ATOM 729 CD1 LEU A 50 -4.472 2.326 2.182 1.00 0.00 C ATOM 730 CD2 LEU A 50 -2.420 1.366 1.113 1.00 0.00 C ATOM 0 H LEU A 50 -4.587 -0.564 5.584 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.526 0.519 3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.009 0.539 3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.095 -0.810 2.556 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.391 0.578 0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.568 3.007 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.463 2.082 2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.886 2.803 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.551 2.061 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.772 1.816 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.965 0.446 0.747 1.00 0.00 H new ATOM 742 N LEU A 51 -5.164 -2.176 1.945 1.00 0.00 N ATOM 743 CA LEU A 51 -5.807 -2.999 0.935 1.00 0.00 C ATOM 744 C LEU A 51 -6.979 -3.779 1.519 1.00 0.00 C ATOM 745 O LEU A 51 -6.906 -4.992 1.697 1.00 0.00 O ATOM 746 CB LEU A 51 -4.781 -3.948 0.319 1.00 0.00 C ATOM 747 CG LEU A 51 -3.658 -3.250 -0.455 1.00 0.00 C ATOM 748 CD1 LEU A 51 -2.292 -3.627 0.101 1.00 0.00 C ATOM 749 CD2 LEU A 51 -3.749 -3.580 -1.936 1.00 0.00 C ATOM 0 H LEU A 51 -4.226 -2.485 2.201 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.205 -2.346 0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.339 -4.550 1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.296 -4.635 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.780 -2.174 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.514 -3.117 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.230 -3.329 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.152 -4.705 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.944 -3.076 -2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.658 -4.657 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.710 -3.243 -2.325 1.00 0.00 H new ATOM 761 N GLU A 52 -8.064 -3.064 1.806 1.00 0.00 N ATOM 762 CA GLU A 52 -9.262 -3.678 2.361 1.00 0.00 C ATOM 763 C GLU A 52 -10.233 -4.061 1.249 1.00 0.00 C ATOM 764 O GLU A 52 -9.980 -3.800 0.075 1.00 0.00 O ATOM 765 CB GLU A 52 -9.937 -2.719 3.345 1.00 0.00 C ATOM 766 CG GLU A 52 -9.136 -2.489 4.615 1.00 0.00 C ATOM 767 CD GLU A 52 -9.206 -3.665 5.570 1.00 0.00 C ATOM 768 OE1 GLU A 52 -9.101 -4.817 5.101 1.00 0.00 O ATOM 769 OE2 GLU A 52 -9.364 -3.433 6.787 1.00 0.00 O ATOM 0 H GLU A 52 -8.136 -2.057 1.662 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.972 -4.584 2.893 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.102 -1.762 2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.918 -3.114 3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.095 -2.299 4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.507 -1.595 5.117 1.00 0.00 H new ATOM 776 N MET A 53 -11.335 -4.701 1.620 1.00 0.00 N ATOM 777 CA MET A 53 -12.321 -5.131 0.638 1.00 0.00 C ATOM 778 C MET A 53 -12.995 -3.938 -0.039 1.00 0.00 C ATOM 779 O MET A 53 -12.881 -3.760 -1.253 1.00 0.00 O ATOM 780 CB MET A 53 -13.377 -6.011 1.308 1.00 0.00 C ATOM 781 CG MET A 53 -12.821 -7.312 1.858 1.00 0.00 C ATOM 782 SD MET A 53 -12.457 -8.516 0.566 1.00 0.00 S ATOM 783 CE MET A 53 -10.781 -8.053 0.133 1.00 0.00 C ATOM 0 H MET A 53 -11.567 -4.932 2.586 1.00 0.00 H new ATOM 0 HA MET A 53 -11.800 -5.704 -0.129 1.00 0.00 H new ATOM 0 HB2 MET A 53 -13.842 -5.452 2.120 1.00 0.00 H new ATOM 0 HB3 MET A 53 -14.162 -6.237 0.586 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.911 -7.104 2.421 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.538 -7.742 2.557 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.761 -7.670 -0.887 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.428 -7.281 0.817 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.132 -8.926 0.205 1.00 0.00 H new ATOM 793 N ASP A 54 -13.687 -3.117 0.744 1.00 0.00 N ATOM 794 CA ASP A 54 -14.367 -1.948 0.204 1.00 0.00 C ATOM 795 C ASP A 54 -13.455 -0.728 0.235 1.00 0.00 C ATOM 796 O ASP A 54 -13.000 -0.252 -0.808 1.00 0.00 O ATOM 797 CB ASP A 54 -15.661 -1.677 0.970 1.00 0.00 C ATOM 798 CG ASP A 54 -15.464 -1.588 2.471 1.00 0.00 C ATOM 799 OD1 ASP A 54 -14.793 -2.476 3.036 1.00 0.00 O ATOM 800 OD2 ASP A 54 -15.978 -0.627 3.082 1.00 0.00 O ATOM 0 H ASP A 54 -13.791 -3.240 1.751 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.622 -2.152 -0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -16.098 -0.745 0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -16.377 -2.469 0.751 1.00 0.00 H new ATOM 805 N ASN A 55 -13.190 -0.224 1.432 1.00 0.00 N ATOM 806 CA ASN A 55 -12.335 0.936 1.598 1.00 0.00 C ATOM 807 C ASN A 55 -10.997 0.743 0.885 1.00 0.00 C ATOM 808 O ASN A 55 -10.299 1.714 0.587 1.00 0.00 O ATOM 809 CB ASN A 55 -12.111 1.203 3.083 1.00 0.00 C ATOM 810 CG ASN A 55 -11.832 2.661 3.352 1.00 0.00 C ATOM 811 OD1 ASN A 55 -12.725 3.424 3.723 1.00 0.00 O ATOM 812 ND2 ASN A 55 -10.591 3.057 3.147 1.00 0.00 N ATOM 0 H ASN A 55 -13.558 -0.604 2.304 1.00 0.00 H new ATOM 0 HA ASN A 55 -12.831 1.796 1.148 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.991 0.891 3.646 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -11.275 0.601 3.439 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.336 4.033 3.296 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.886 2.387 2.840 1.00 0.00 H new ATOM 819 N GLY A 56 -10.648 -0.511 0.603 1.00 0.00 N ATOM 820 CA GLY A 56 -9.405 -0.793 -0.079 1.00 0.00 C ATOM 821 C GLY A 56 -9.450 -0.406 -1.544 1.00 0.00 C ATOM 822 O GLY A 56 -8.681 0.445 -1.980 1.00 0.00 O ATOM 0 H GLY A 56 -11.206 -1.332 0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.594 -0.255 0.412 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.180 -1.856 0.007 1.00 0.00 H new ATOM 826 N GLU A 57 -10.344 -1.033 -2.313 1.00 0.00 N ATOM 827 CA GLU A 57 -10.458 -0.735 -3.746 1.00 0.00 C ATOM 828 C GLU A 57 -10.192 0.735 -4.044 1.00 0.00 C ATOM 829 O GLU A 57 -9.384 1.065 -4.910 1.00 0.00 O ATOM 830 CB GLU A 57 -11.841 -1.101 -4.267 1.00 0.00 C ATOM 831 CG GLU A 57 -12.268 -2.516 -3.930 1.00 0.00 C ATOM 832 CD GLU A 57 -11.263 -3.554 -4.390 1.00 0.00 C ATOM 833 OE1 GLU A 57 -10.098 -3.493 -3.941 1.00 0.00 O ATOM 834 OE2 GLU A 57 -11.640 -4.429 -5.197 1.00 0.00 O ATOM 0 H GLU A 57 -10.993 -1.743 -1.974 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.702 -1.336 -4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.570 -0.404 -3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.856 -0.975 -5.350 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.407 -2.603 -2.852 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.233 -2.720 -4.393 1.00 0.00 H new ATOM 841 N ILE A 58 -10.876 1.615 -3.325 1.00 0.00 N ATOM 842 CA ILE A 58 -10.705 3.051 -3.519 1.00 0.00 C ATOM 843 C ILE A 58 -9.238 3.446 -3.382 1.00 0.00 C ATOM 844 O ILE A 58 -8.717 4.228 -4.176 1.00 0.00 O ATOM 845 CB ILE A 58 -11.558 3.850 -2.512 1.00 0.00 C ATOM 846 CG1 ILE A 58 -13.045 3.590 -2.760 1.00 0.00 C ATOM 847 CG2 ILE A 58 -11.256 5.346 -2.598 1.00 0.00 C ATOM 848 CD1 ILE A 58 -13.843 3.396 -1.489 1.00 0.00 C ATOM 0 H ILE A 58 -11.552 1.362 -2.604 1.00 0.00 H new ATOM 0 HA ILE A 58 -11.041 3.290 -4.528 1.00 0.00 H new ATOM 0 HB ILE A 58 -11.302 3.514 -1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -13.464 4.427 -3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -13.152 2.704 -3.386 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.872 5.884 -1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -10.203 5.518 -2.375 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -11.478 5.705 -3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.888 3.216 -1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.449 2.541 -0.939 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.767 4.291 -0.871 1.00 0.00 H new ATOM 860 N LEU A 59 -8.584 2.909 -2.355 1.00 0.00 N ATOM 861 CA LEU A 59 -7.184 3.207 -2.092 1.00 0.00 C ATOM 862 C LEU A 59 -6.339 3.177 -3.363 1.00 0.00 C ATOM 863 O LEU A 59 -5.323 3.869 -3.456 1.00 0.00 O ATOM 864 CB LEU A 59 -6.627 2.227 -1.061 1.00 0.00 C ATOM 865 CG LEU A 59 -6.104 0.898 -1.613 1.00 0.00 C ATOM 866 CD1 LEU A 59 -4.682 1.043 -2.137 1.00 0.00 C ATOM 867 CD2 LEU A 59 -6.168 -0.162 -0.530 1.00 0.00 C ATOM 0 H LEU A 59 -9.007 2.262 -1.689 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.133 4.221 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.816 2.718 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.409 2.013 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.734 0.595 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.337 0.084 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.663 1.784 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.027 1.366 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.796 -1.108 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.554 0.145 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.200 -0.287 -0.203 1.00 0.00 H new ATOM 879 N ASN A 60 -6.758 2.372 -4.333 1.00 0.00 N ATOM 880 CA ASN A 60 -6.029 2.251 -5.597 1.00 0.00 C ATOM 881 C ASN A 60 -5.649 3.621 -6.163 1.00 0.00 C ATOM 882 O ASN A 60 -4.710 3.733 -6.951 1.00 0.00 O ATOM 883 CB ASN A 60 -6.869 1.485 -6.621 1.00 0.00 C ATOM 884 CG ASN A 60 -6.043 0.516 -7.452 1.00 0.00 C ATOM 885 OD1 ASN A 60 -6.398 -0.654 -7.589 1.00 0.00 O ATOM 886 ND2 ASN A 60 -4.939 1.001 -8.007 1.00 0.00 N ATOM 0 H ASN A 60 -7.596 1.794 -4.272 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.110 1.702 -5.395 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.654 0.934 -6.102 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.363 2.196 -7.284 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.345 0.396 -8.575 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.684 1.979 -7.866 1.00 0.00 H new ATOM 893 N LEU A 61 -6.384 4.660 -5.765 1.00 0.00 N ATOM 894 CA LEU A 61 -6.118 6.011 -6.246 1.00 0.00 C ATOM 895 C LEU A 61 -5.621 6.926 -5.130 1.00 0.00 C ATOM 896 O LEU A 61 -6.289 7.900 -4.789 1.00 0.00 O ATOM 897 CB LEU A 61 -7.384 6.608 -6.864 1.00 0.00 C ATOM 898 CG LEU A 61 -7.876 5.920 -8.139 1.00 0.00 C ATOM 899 CD1 LEU A 61 -9.358 5.592 -8.035 1.00 0.00 C ATOM 900 CD2 LEU A 61 -7.608 6.797 -9.352 1.00 0.00 C ATOM 0 H LEU A 61 -7.165 4.590 -5.113 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.334 5.938 -6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.182 6.574 -6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.199 7.659 -7.086 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.327 4.986 -8.259 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.688 5.103 -8.952 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.525 4.926 -7.189 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.925 6.512 -7.890 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.964 6.293 -10.251 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.131 7.747 -9.237 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.537 6.981 -9.439 1.00 0.00 H new ATOM 912 N LEU A 62 -4.458 6.598 -4.558 1.00 0.00 N ATOM 913 CA LEU A 62 -3.866 7.385 -3.468 1.00 0.00 C ATOM 914 C LEU A 62 -4.165 8.881 -3.605 1.00 0.00 C ATOM 915 O LEU A 62 -3.348 9.643 -4.124 1.00 0.00 O ATOM 916 CB LEU A 62 -2.356 7.156 -3.428 1.00 0.00 C ATOM 917 CG LEU A 62 -1.922 5.875 -2.727 1.00 0.00 C ATOM 918 CD1 LEU A 62 -0.716 5.266 -3.427 1.00 0.00 C ATOM 919 CD2 LEU A 62 -1.617 6.143 -1.262 1.00 0.00 C ATOM 0 H LEU A 62 -3.904 5.787 -4.833 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.318 7.048 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.978 7.140 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.887 8.004 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.743 5.160 -2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.420 4.352 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.974 5.034 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.111 5.976 -3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.309 5.216 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.814 6.876 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.509 6.530 -0.769 1.00 0.00 H new ATOM 931 N ASP A 63 -5.348 9.284 -3.148 1.00 0.00 N ATOM 932 CA ASP A 63 -5.772 10.680 -3.226 1.00 0.00 C ATOM 933 C ASP A 63 -5.614 11.382 -1.883 1.00 0.00 C ATOM 934 O ASP A 63 -5.491 10.737 -0.847 1.00 0.00 O ATOM 935 CB ASP A 63 -7.230 10.767 -3.692 1.00 0.00 C ATOM 936 CG ASP A 63 -7.347 11.134 -5.158 1.00 0.00 C ATOM 937 OD1 ASP A 63 -7.016 12.285 -5.510 1.00 0.00 O ATOM 938 OD2 ASP A 63 -7.772 10.271 -5.955 1.00 0.00 O ATOM 0 H ASP A 63 -6.032 8.661 -2.718 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.132 11.183 -3.951 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.721 9.809 -3.520 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.757 11.508 -3.091 1.00 0.00 H new ATOM 943 N THR A 64 -5.622 12.710 -1.904 1.00 0.00 N ATOM 944 CA THR A 64 -5.478 13.475 -0.677 1.00 0.00 C ATOM 945 C THR A 64 -6.765 13.418 0.138 1.00 0.00 C ATOM 946 O THR A 64 -6.738 13.063 1.310 1.00 0.00 O ATOM 947 CB THR A 64 -5.089 14.924 -0.978 1.00 0.00 C ATOM 948 OG1 THR A 64 -3.878 14.972 -1.712 1.00 0.00 O ATOM 949 CG2 THR A 64 -4.902 15.766 0.265 1.00 0.00 C ATOM 0 H THR A 64 -5.726 13.272 -2.749 1.00 0.00 H new ATOM 0 HA THR A 64 -4.676 13.029 -0.088 1.00 0.00 H new ATOM 0 HB THR A 64 -5.920 15.333 -1.552 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.645 15.906 -1.898 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.627 16.781 -0.021 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.832 15.788 0.833 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.112 15.336 0.880 1.00 0.00 H new ATOM 957 N PRO A 65 -7.918 13.750 -0.467 1.00 0.00 N ATOM 958 CA PRO A 65 -9.199 13.709 0.232 1.00 0.00 C ATOM 959 C PRO A 65 -9.735 12.285 0.387 1.00 0.00 C ATOM 960 O PRO A 65 -9.849 11.775 1.500 1.00 0.00 O ATOM 961 CB PRO A 65 -10.120 14.544 -0.657 1.00 0.00 C ATOM 962 CG PRO A 65 -9.538 14.458 -2.029 1.00 0.00 C ATOM 963 CD PRO A 65 -8.062 14.180 -1.872 1.00 0.00 C ATOM 0 HA PRO A 65 -9.119 14.088 1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.139 14.158 -0.638 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.165 15.578 -0.314 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.020 13.666 -2.602 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.698 15.388 -2.574 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.728 13.405 -2.561 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.466 15.069 -2.079 1.00 0.00 H new ATOM 971 N GLY A 66 -10.072 11.650 -0.738 1.00 0.00 N ATOM 972 CA GLY A 66 -10.609 10.296 -0.714 1.00 0.00 C ATOM 973 C GLY A 66 -9.850 9.367 0.210 1.00 0.00 C ATOM 974 O GLY A 66 -10.427 8.797 1.137 1.00 0.00 O ATOM 0 H GLY A 66 -9.982 12.053 -1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.653 10.332 -0.404 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.590 9.887 -1.724 1.00 0.00 H new ATOM 978 N LEU A 67 -8.555 9.210 -0.037 1.00 0.00 N ATOM 979 CA LEU A 67 -7.723 8.343 0.785 1.00 0.00 C ATOM 980 C LEU A 67 -7.784 8.768 2.246 1.00 0.00 C ATOM 981 O LEU A 67 -8.346 8.066 3.082 1.00 0.00 O ATOM 982 CB LEU A 67 -6.280 8.389 0.279 1.00 0.00 C ATOM 983 CG LEU A 67 -5.668 7.047 -0.115 1.00 0.00 C ATOM 984 CD1 LEU A 67 -5.116 6.318 1.099 1.00 0.00 C ATOM 985 CD2 LEU A 67 -6.686 6.190 -0.843 1.00 0.00 C ATOM 0 H LEU A 67 -8.060 9.672 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.097 7.322 0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.239 9.052 -0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.658 8.837 1.054 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.836 7.241 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.687 5.366 0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.344 6.927 1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.921 6.137 1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.231 5.238 -1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.542 6.010 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.017 6.705 -1.745 1.00 0.00 H new ATOM 997 N LEU A 68 -7.206 9.923 2.547 1.00 0.00 N ATOM 998 CA LEU A 68 -7.195 10.437 3.914 1.00 0.00 C ATOM 999 C LEU A 68 -8.580 10.370 4.556 1.00 0.00 C ATOM 1000 O LEU A 68 -8.696 10.319 5.780 1.00 0.00 O ATOM 1001 CB LEU A 68 -6.688 11.878 3.941 1.00 0.00 C ATOM 1002 CG LEU A 68 -5.244 12.052 4.419 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -4.311 12.273 3.240 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -5.147 13.210 5.399 1.00 0.00 C ATOM 0 H LEU A 68 -6.739 10.522 1.866 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.521 9.803 4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.775 12.296 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.341 12.464 4.588 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.938 11.139 4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.290 12.394 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.359 11.413 2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.613 13.170 2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.114 13.321 5.730 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.472 14.128 4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.785 13.012 6.261 1.00 0.00 H new ATOM 1016 N ASP A 69 -9.629 10.378 3.735 1.00 0.00 N ATOM 1017 CA ASP A 69 -10.989 10.326 4.261 1.00 0.00 C ATOM 1018 C ASP A 69 -11.405 8.887 4.542 1.00 0.00 C ATOM 1019 O ASP A 69 -11.692 8.530 5.680 1.00 0.00 O ATOM 1020 CB ASP A 69 -11.969 10.970 3.278 1.00 0.00 C ATOM 1021 CG ASP A 69 -13.262 11.399 3.945 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -13.198 12.197 4.905 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -14.338 10.941 3.506 1.00 0.00 O ATOM 0 H ASP A 69 -9.564 10.419 2.718 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.010 10.884 5.197 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.498 11.837 2.815 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.193 10.264 2.478 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.429 8.061 3.509 1.00 0.00 N ATOM 1029 CA ALA A 70 -11.807 6.664 3.676 1.00 0.00 C ATOM 1030 C ALA A 70 -10.787 5.920 4.534 1.00 0.00 C ATOM 1031 O ALA A 70 -11.093 4.886 5.123 1.00 0.00 O ATOM 1032 CB ALA A 70 -11.962 5.994 2.317 1.00 0.00 C ATOM 0 H ALA A 70 -11.194 8.328 2.553 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.766 6.627 4.193 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.245 4.950 2.456 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.735 6.506 1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.017 6.045 1.776 1.00 0.00 H new ATOM 1038 N LYS A 71 -9.568 6.449 4.593 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.495 5.836 5.367 1.00 0.00 C ATOM 1040 C LYS A 71 -8.705 6.032 6.863 1.00 0.00 C ATOM 1041 O LYS A 71 -8.730 5.071 7.633 1.00 0.00 O ATOM 1042 CB LYS A 71 -7.157 6.456 4.976 1.00 0.00 C ATOM 1043 CG LYS A 71 -6.578 5.944 3.662 1.00 0.00 C ATOM 1044 CD LYS A 71 -6.685 4.434 3.538 1.00 0.00 C ATOM 1045 CE LYS A 71 -7.984 4.015 2.876 1.00 0.00 C ATOM 1046 NZ LYS A 71 -7.799 3.639 1.446 1.00 0.00 N ATOM 0 H LYS A 71 -9.299 7.306 4.110 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.499 4.768 5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.279 7.537 4.907 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.438 6.267 5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.101 6.413 2.829 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.531 6.240 3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.843 4.056 2.958 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.619 3.982 4.528 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.409 3.170 3.419 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.703 4.832 2.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.324 4.303 0.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.788 3.677 1.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.156 2.674 1.292 1.00 0.00 H new ATOM 1060 N VAL A 72 -8.845 7.286 7.265 1.00 0.00 N ATOM 1061 CA VAL A 72 -9.039 7.620 8.665 1.00 0.00 C ATOM 1062 C VAL A 72 -10.356 7.066 9.184 1.00 0.00 C ATOM 1063 O VAL A 72 -10.407 6.479 10.261 1.00 0.00 O ATOM 1064 CB VAL A 72 -9.007 9.143 8.886 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -7.639 9.707 8.537 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -10.096 9.826 8.075 1.00 0.00 C ATOM 0 H VAL A 72 -8.828 8.090 6.638 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.217 7.164 9.218 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.196 9.340 9.941 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.637 10.785 8.700 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.882 9.243 9.169 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.415 9.498 7.491 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.056 10.902 8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.944 9.621 7.015 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.071 9.446 8.382 1.00 0.00 H new ATOM 1076 N GLN A 73 -11.419 7.260 8.416 1.00 0.00 N ATOM 1077 CA GLN A 73 -12.740 6.788 8.802 1.00 0.00 C ATOM 1078 C GLN A 73 -12.782 5.266 8.914 1.00 0.00 C ATOM 1079 O GLN A 73 -13.196 4.724 9.939 1.00 0.00 O ATOM 1080 CB GLN A 73 -13.776 7.276 7.793 1.00 0.00 C ATOM 1081 CG GLN A 73 -13.689 8.770 7.519 1.00 0.00 C ATOM 1082 CD GLN A 73 -13.978 9.610 8.746 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -14.876 9.300 9.528 1.00 0.00 O ATOM 1084 NE2 GLN A 73 -13.216 10.682 8.919 1.00 0.00 N ATOM 0 H GLN A 73 -11.391 7.743 7.518 1.00 0.00 H new ATOM 0 HA GLN A 73 -12.973 7.195 9.786 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.645 6.733 6.857 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.774 7.039 8.163 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.693 9.009 7.147 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.395 9.032 6.731 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.483 10.901 8.245 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.363 11.288 9.726 1.00 0.00 H new ATOM 1093 N GLU A 74 -12.356 4.577 7.859 1.00 0.00 N ATOM 1094 CA GLU A 74 -12.354 3.116 7.850 1.00 0.00 C ATOM 1095 C GLU A 74 -11.526 2.564 9.004 1.00 0.00 C ATOM 1096 O GLU A 74 -11.826 1.499 9.543 1.00 0.00 O ATOM 1097 CB GLU A 74 -11.800 2.595 6.524 1.00 0.00 C ATOM 1098 CG GLU A 74 -11.603 1.086 6.490 1.00 0.00 C ATOM 1099 CD GLU A 74 -10.152 0.684 6.662 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -9.332 1.021 5.781 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -9.833 0.031 7.679 1.00 0.00 O ATOM 0 H GLU A 74 -12.008 5.005 7.001 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.384 2.778 7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.478 2.882 5.720 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.845 3.081 6.324 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.199 0.628 7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.974 0.696 5.542 1.00 0.00 H new ATOM 1108 N ALA A 75 -10.482 3.290 9.368 1.00 0.00 N ATOM 1109 CA ALA A 75 -9.600 2.878 10.448 1.00 0.00 C ATOM 1110 C ALA A 75 -10.166 3.272 11.806 1.00 0.00 C ATOM 1111 O ALA A 75 -10.068 2.518 12.772 1.00 0.00 O ATOM 1112 CB ALA A 75 -8.231 3.492 10.252 1.00 0.00 C ATOM 0 H ALA A 75 -10.223 4.173 8.928 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.516 1.791 10.426 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.573 3.181 11.063 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.816 3.160 9.301 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.316 4.579 10.251 1.00 0.00 H new ATOM 1118 N LEU A 76 -10.755 4.459 11.871 1.00 0.00 N ATOM 1119 CA LEU A 76 -11.336 4.950 13.114 1.00 0.00 C ATOM 1120 C LEU A 76 -12.594 4.161 13.461 1.00 0.00 C ATOM 1121 O LEU A 76 -12.901 3.946 14.633 1.00 0.00 O ATOM 1122 CB LEU A 76 -11.660 6.442 13.001 1.00 0.00 C ATOM 1123 CG LEU A 76 -10.809 7.362 13.877 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -11.261 8.805 13.724 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -10.878 6.933 15.336 1.00 0.00 C ATOM 0 H LEU A 76 -10.843 5.098 11.081 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.607 4.813 13.913 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.541 6.745 11.961 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.709 6.590 13.258 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.772 7.286 13.549 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.646 9.448 14.354 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.157 9.110 12.683 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.305 8.893 14.026 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.265 7.601 15.941 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.911 6.977 15.680 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.507 5.913 15.433 1.00 0.00 H new ATOM 1137 N GLU A 77 -13.313 3.726 12.432 1.00 0.00 N ATOM 1138 CA GLU A 77 -14.531 2.951 12.622 1.00 0.00 C ATOM 1139 C GLU A 77 -14.195 1.544 13.098 1.00 0.00 C ATOM 1140 O GLU A 77 -14.702 1.081 14.119 1.00 0.00 O ATOM 1141 CB GLU A 77 -15.326 2.885 11.314 1.00 0.00 C ATOM 1142 CG GLU A 77 -16.573 2.017 11.392 1.00 0.00 C ATOM 1143 CD GLU A 77 -16.817 1.232 10.117 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -15.830 0.768 9.509 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -17.994 1.082 9.728 1.00 0.00 O ATOM 0 H GLU A 77 -13.072 3.898 11.456 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.139 3.442 13.381 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.616 3.895 11.026 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.678 2.502 10.526 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.478 1.324 12.228 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.438 2.648 11.597 1.00 0.00 H new ATOM 1152 N VAL A 78 -13.335 0.871 12.344 1.00 0.00 N ATOM 1153 CA VAL A 78 -12.924 -0.483 12.680 1.00 0.00 C ATOM 1154 C VAL A 78 -12.001 -0.492 13.896 1.00 0.00 C ATOM 1155 O VAL A 78 -12.119 -1.350 14.767 1.00 0.00 O ATOM 1156 CB VAL A 78 -12.218 -1.163 11.490 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -10.897 -0.477 11.172 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -12.004 -2.640 11.767 1.00 0.00 C ATOM 0 H VAL A 78 -12.909 1.243 11.495 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.828 -1.044 12.919 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.863 -1.068 10.617 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.421 -0.977 10.329 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.081 0.567 10.918 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.242 -0.528 12.042 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.504 -3.101 10.915 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.386 -2.757 12.657 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.968 -3.123 11.928 1.00 0.00 H new ATOM 1168 N LEU A 79 -11.081 0.469 13.951 1.00 0.00 N ATOM 1169 CA LEU A 79 -10.143 0.569 15.066 1.00 0.00 C ATOM 1170 C LEU A 79 -9.385 -0.741 15.257 1.00 0.00 C ATOM 1171 O LEU A 79 -9.460 -1.641 14.419 1.00 0.00 O ATOM 1172 CB LEU A 79 -10.891 0.926 16.356 1.00 0.00 C ATOM 1173 CG LEU A 79 -10.781 2.387 16.796 1.00 0.00 C ATOM 1174 CD1 LEU A 79 -11.551 2.608 18.091 1.00 0.00 C ATOM 1175 CD2 LEU A 79 -9.323 2.790 16.971 1.00 0.00 C ATOM 0 H LEU A 79 -10.965 1.188 13.237 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.425 1.356 14.836 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.945 0.683 16.224 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.516 0.293 17.160 1.00 0.00 H new ATOM 0 HG LEU A 79 -11.217 3.013 16.018 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -11.464 3.652 18.392 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -12.601 2.361 17.936 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.139 1.969 18.873 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.269 3.833 17.284 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.860 2.159 17.729 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.796 2.667 16.025 1.00 0.00 H new ATOM 1187 N ASN A 80 -8.652 -0.842 16.363 1.00 0.00 N ATOM 1188 CA ASN A 80 -7.878 -2.042 16.667 1.00 0.00 C ATOM 1189 C ASN A 80 -8.772 -3.272 16.811 1.00 0.00 C ATOM 1190 O ASN A 80 -8.273 -4.382 16.995 1.00 0.00 O ATOM 1191 CB ASN A 80 -7.065 -1.834 17.948 1.00 0.00 C ATOM 1192 CG ASN A 80 -5.584 -2.091 17.743 1.00 0.00 C ATOM 1193 OD1 ASN A 80 -4.791 -1.158 17.613 1.00 0.00 O ATOM 1194 ND2 ASN A 80 -5.203 -3.364 17.715 1.00 0.00 N ATOM 0 H ASN A 80 -8.578 -0.105 17.065 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.201 -2.218 15.831 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.208 -0.814 18.304 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.442 -2.498 18.726 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.219 -3.599 17.582 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.894 -4.106 17.827 1.00 0.00 H new ATOM 1201 N ARG A 81 -10.091 -3.087 16.722 1.00 0.00 N ATOM 1202 CA ARG A 81 -11.031 -4.200 16.836 1.00 0.00 C ATOM 1203 C ARG A 81 -10.886 -5.172 15.658 1.00 0.00 C ATOM 1204 O ARG A 81 -11.832 -5.875 15.307 1.00 0.00 O ATOM 1205 CB ARG A 81 -12.468 -3.674 16.887 1.00 0.00 C ATOM 1206 CG ARG A 81 -12.960 -3.371 18.294 1.00 0.00 C ATOM 1207 CD ARG A 81 -13.538 -4.611 18.959 1.00 0.00 C ATOM 1208 NE ARG A 81 -14.965 -4.465 19.238 1.00 0.00 N ATOM 1209 CZ ARG A 81 -15.467 -3.585 20.099 1.00 0.00 C ATOM 1210 NH1 ARG A 81 -14.663 -2.758 20.759 1.00 0.00 N ATOM 1211 NH2 ARG A 81 -16.776 -3.526 20.299 1.00 0.00 N ATOM 0 H ARG A 81 -10.530 -2.179 16.572 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.803 -4.735 17.758 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.535 -2.768 16.285 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.131 -4.409 16.431 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -12.136 -2.985 18.894 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.719 -2.590 18.255 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -13.381 -5.475 18.314 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -13.004 -4.806 19.889 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.615 -5.075 18.742 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -13.655 -2.796 20.606 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -15.054 -2.085 21.418 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -17.398 -4.156 19.792 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -17.161 -2.851 20.960 1.00 0.00 H new ATOM 1225 N HIS A 82 -9.700 -5.201 15.053 1.00 0.00 N ATOM 1226 CA HIS A 82 -9.433 -6.075 13.923 1.00 0.00 C ATOM 1227 C HIS A 82 -9.259 -7.519 14.380 1.00 0.00 C ATOM 1228 O HIS A 82 -8.208 -7.894 14.897 1.00 0.00 O ATOM 1229 CB HIS A 82 -8.180 -5.597 13.188 1.00 0.00 C ATOM 1230 CG HIS A 82 -8.429 -5.278 11.748 1.00 0.00 C ATOM 1231 ND1 HIS A 82 -9.612 -4.739 11.300 1.00 0.00 N ATOM 1232 CD2 HIS A 82 -7.642 -5.421 10.658 1.00 0.00 C ATOM 1233 CE1 HIS A 82 -9.545 -4.559 9.992 1.00 0.00 C ATOM 1234 NE2 HIS A 82 -8.358 -4.964 9.578 1.00 0.00 N ATOM 0 H HIS A 82 -8.907 -4.624 15.332 1.00 0.00 H new ATOM 0 HA HIS A 82 -10.285 -6.037 13.245 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.789 -4.711 13.688 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.411 -6.366 13.256 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.638 -5.820 10.640 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -10.327 -4.151 9.369 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.027 -4.941 8.614 1.00 0.00 H new ATOM 1243 N MET A 83 -10.296 -8.322 14.182 1.00 0.00 N ATOM 1244 CA MET A 83 -10.261 -9.726 14.569 1.00 0.00 C ATOM 1245 C MET A 83 -10.133 -10.629 13.344 1.00 0.00 C ATOM 1246 O MET A 83 -9.719 -11.783 13.454 1.00 0.00 O ATOM 1247 CB MET A 83 -11.519 -10.091 15.359 1.00 0.00 C ATOM 1248 CG MET A 83 -11.250 -11.013 16.537 1.00 0.00 C ATOM 1249 SD MET A 83 -12.581 -12.199 16.810 1.00 0.00 S ATOM 1250 CE MET A 83 -11.658 -13.730 16.893 1.00 0.00 C ATOM 0 H MET A 83 -11.173 -8.024 13.755 1.00 0.00 H new ATOM 0 HA MET A 83 -9.386 -9.880 15.201 1.00 0.00 H new ATOM 0 HB2 MET A 83 -11.988 -9.177 15.723 1.00 0.00 H new ATOM 0 HB3 MET A 83 -12.233 -10.570 14.689 1.00 0.00 H new ATOM 0 HG2 MET A 83 -10.318 -11.552 16.366 1.00 0.00 H new ATOM 0 HG3 MET A 83 -11.112 -10.415 17.437 1.00 0.00 H new ATOM 0 HE1 MET A 83 -12.345 -14.560 17.059 1.00 0.00 H new ATOM 0 HE2 MET A 83 -11.123 -13.884 15.956 1.00 0.00 H new ATOM 0 HE3 MET A 83 -10.944 -13.680 17.715 1.00 0.00 H new ATOM 1260 N ASN A 84 -10.488 -10.097 12.178 1.00 0.00 N ATOM 1261 CA ASN A 84 -10.410 -10.855 10.936 1.00 0.00 C ATOM 1262 C ASN A 84 -9.251 -10.371 10.070 1.00 0.00 C ATOM 1263 O ASN A 84 -9.423 -9.503 9.214 1.00 0.00 O ATOM 1264 CB ASN A 84 -11.723 -10.741 10.162 1.00 0.00 C ATOM 1265 CG ASN A 84 -11.762 -11.651 8.950 1.00 0.00 C ATOM 1266 OD1 ASN A 84 -10.972 -12.589 8.838 1.00 0.00 O ATOM 1267 ND2 ASN A 84 -12.681 -11.376 8.032 1.00 0.00 N ATOM 0 H ASN A 84 -10.833 -9.143 12.069 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.235 -11.900 11.190 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.554 -10.986 10.824 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.864 -9.709 9.842 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.752 -11.952 7.193 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.316 -10.589 8.166 1.00 0.00 H new ATOM 1274 N VAL A 85 -8.070 -10.935 10.301 1.00 0.00 N ATOM 1275 CA VAL A 85 -6.882 -10.563 9.544 1.00 0.00 C ATOM 1276 C VAL A 85 -6.053 -11.794 9.187 1.00 0.00 C ATOM 1277 O VAL A 85 -6.032 -12.747 9.995 1.00 0.00 O ATOM 1278 CB VAL A 85 -6.004 -9.568 10.329 1.00 0.00 C ATOM 1279 CG1 VAL A 85 -5.647 -10.134 11.694 1.00 0.00 C ATOM 1280 CG2 VAL A 85 -4.748 -9.215 9.543 1.00 0.00 C ATOM 1281 OXT VAL A 85 -5.431 -11.795 8.103 1.00 0.00 O ATOM 0 H VAL A 85 -7.911 -11.653 11.008 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.225 -10.083 8.627 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.575 -8.652 10.477 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.027 -9.418 12.234 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.559 -10.323 12.260 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.098 -11.067 11.569 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.145 -8.512 10.117 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.170 -10.120 9.355 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.029 -8.760 8.593 1.00 0.00 H new TER 1291 VAL A 85