USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 672 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 21:sc= 0.171 USER MOD Single : A 21 ASN : amide:sc= -0.694 K(o=-0.69,f=-4.2!) USER MOD Single : A 23 MET CE :methyl 157:sc= -0.0751 (180deg=-1.03) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -2.6! C(o=-2.6!,f=-3!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot -88:sc= 0.766 USER MOD Single : A 33 TYR OH : rot 125:sc= 0.207 USER MOD Single : A 35 SER OG : rot 180:sc= -0.533 USER MOD Single : A 46 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=-0.31) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -9.46! C(o=-9.5!,f=-11!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0141 USER MOD Single : A 59 ASN : amide:sc= -2.47 K(o=-2.5,f=-3.6!) USER MOD Single : A 62 SER OG : rot 34:sc= 0.971 USER MOD Single : A 67 GLN : amide:sc= -0.0791 K(o=-0.079,f=-2) USER MOD Single : A 68 HIS : no HE2:sc= -2 K(o=-2,f=-5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.71) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.390 -15.553 -22.599 1.00 0.00 N ATOM 2 CA GLY A 1 -3.440 -14.957 -21.276 1.00 0.00 C ATOM 3 C GLY A 1 -2.429 -13.841 -21.105 1.00 0.00 C ATOM 4 O GLY A 1 -1.263 -13.988 -21.471 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.100 -16.310 -22.666 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.591 -14.826 -23.315 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.443 -15.950 -22.765 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.441 -14.567 -21.094 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.257 -15.727 -20.527 1.00 0.00 H new ATOM 8 N SER A 2 -2.876 -12.720 -20.548 1.00 0.00 N ATOM 9 CA SER A 2 -2.003 -11.571 -20.335 1.00 0.00 C ATOM 10 C SER A 2 -2.067 -11.103 -18.884 1.00 0.00 C ATOM 11 O SER A 2 -3.148 -10.971 -18.310 1.00 0.00 O ATOM 12 CB SER A 2 -2.395 -10.426 -21.270 1.00 0.00 C ATOM 13 OG SER A 2 -1.940 -10.667 -22.590 1.00 0.00 O ATOM 0 H SER A 2 -3.837 -12.583 -20.236 1.00 0.00 H new ATOM 0 HA SER A 2 -0.980 -11.876 -20.556 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.479 -10.308 -21.271 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.973 -9.491 -20.902 1.00 0.00 H new ATOM 0 HG SER A 2 -2.205 -9.922 -23.168 1.00 0.00 H new ATOM 19 N SER A 3 -0.901 -10.854 -18.297 1.00 0.00 N ATOM 20 CA SER A 3 -0.823 -10.405 -16.912 1.00 0.00 C ATOM 21 C SER A 3 -1.858 -9.319 -16.634 1.00 0.00 C ATOM 22 O SER A 3 -2.523 -9.330 -15.600 1.00 0.00 O ATOM 23 CB SER A 3 0.580 -9.879 -16.603 1.00 0.00 C ATOM 24 OG SER A 3 0.975 -8.895 -17.544 1.00 0.00 O ATOM 0 H SER A 3 0.003 -10.956 -18.759 1.00 0.00 H new ATOM 0 HA SER A 3 -1.034 -11.258 -16.267 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.600 -9.455 -15.599 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.292 -10.704 -16.615 1.00 0.00 H new ATOM 0 HG SER A 3 1.874 -8.574 -17.323 1.00 0.00 H new ATOM 30 N GLY A 4 -1.987 -8.380 -17.567 1.00 0.00 N ATOM 31 CA GLY A 4 -2.942 -7.300 -17.405 1.00 0.00 C ATOM 32 C GLY A 4 -2.506 -6.293 -16.359 1.00 0.00 C ATOM 33 O GLY A 4 -1.329 -6.228 -16.002 1.00 0.00 O ATOM 0 H GLY A 4 -1.447 -8.348 -18.432 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.077 -6.792 -18.360 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.910 -7.714 -17.125 1.00 0.00 H new ATOM 37 N SER A 5 -3.455 -5.503 -15.868 1.00 0.00 N ATOM 38 CA SER A 5 -3.162 -4.489 -14.862 1.00 0.00 C ATOM 39 C SER A 5 -4.072 -4.650 -13.648 1.00 0.00 C ATOM 40 O SER A 5 -5.286 -4.801 -13.784 1.00 0.00 O ATOM 41 CB SER A 5 -3.326 -3.089 -15.454 1.00 0.00 C ATOM 42 OG SER A 5 -2.461 -2.162 -14.820 1.00 0.00 O ATOM 0 H SER A 5 -4.434 -5.546 -16.151 1.00 0.00 H new ATOM 0 HA SER A 5 -2.129 -4.620 -14.541 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.115 -3.116 -16.523 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.360 -2.762 -15.342 1.00 0.00 H new ATOM 0 HG SER A 5 -2.584 -1.275 -15.218 1.00 0.00 H new ATOM 48 N SER A 6 -3.476 -4.616 -12.460 1.00 0.00 N ATOM 49 CA SER A 6 -4.232 -4.762 -11.221 1.00 0.00 C ATOM 50 C SER A 6 -4.507 -3.400 -10.590 1.00 0.00 C ATOM 51 O SER A 6 -3.889 -2.400 -10.951 1.00 0.00 O ATOM 52 CB SER A 6 -3.469 -5.649 -10.236 1.00 0.00 C ATOM 53 OG SER A 6 -3.527 -7.010 -10.625 1.00 0.00 O ATOM 0 H SER A 6 -2.472 -4.489 -12.329 1.00 0.00 H new ATOM 0 HA SER A 6 -5.186 -5.232 -11.458 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.429 -5.327 -10.182 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.890 -5.535 -9.237 1.00 0.00 H new ATOM 0 HG SER A 6 -3.030 -7.556 -9.980 1.00 0.00 H new ATOM 59 N GLY A 7 -5.441 -3.372 -9.644 1.00 0.00 N ATOM 60 CA GLY A 7 -5.783 -2.129 -8.976 1.00 0.00 C ATOM 61 C GLY A 7 -4.559 -1.343 -8.551 1.00 0.00 C ATOM 62 O GLY A 7 -3.838 -1.748 -7.639 1.00 0.00 O ATOM 0 H GLY A 7 -5.967 -4.187 -9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.390 -1.517 -9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.393 -2.347 -8.100 1.00 0.00 H new ATOM 66 N VAL A 8 -4.321 -0.216 -9.214 1.00 0.00 N ATOM 67 CA VAL A 8 -3.175 0.628 -8.900 1.00 0.00 C ATOM 68 C VAL A 8 -3.612 1.913 -8.206 1.00 0.00 C ATOM 69 O VAL A 8 -4.235 2.781 -8.817 1.00 0.00 O ATOM 70 CB VAL A 8 -2.379 0.989 -10.169 1.00 0.00 C ATOM 71 CG1 VAL A 8 -1.222 1.916 -9.829 1.00 0.00 C ATOM 72 CG2 VAL A 8 -1.879 -0.270 -10.860 1.00 0.00 C ATOM 0 H VAL A 8 -4.907 0.134 -9.972 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.535 0.055 -8.229 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.043 1.514 -10.856 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.672 2.160 -10.738 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.609 2.832 -9.382 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.555 1.422 -9.123 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.319 0.004 -11.754 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.231 -0.824 -10.181 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.728 -0.893 -11.140 1.00 0.00 H new ATOM 82 N VAL A 9 -3.282 2.027 -6.923 1.00 0.00 N ATOM 83 CA VAL A 9 -3.640 3.207 -6.144 1.00 0.00 C ATOM 84 C VAL A 9 -2.504 4.224 -6.135 1.00 0.00 C ATOM 85 O VAL A 9 -1.416 3.948 -5.632 1.00 0.00 O ATOM 86 CB VAL A 9 -3.993 2.834 -4.692 1.00 0.00 C ATOM 87 CG1 VAL A 9 -4.313 4.082 -3.883 1.00 0.00 C ATOM 88 CG2 VAL A 9 -5.157 1.856 -4.661 1.00 0.00 C ATOM 0 H VAL A 9 -2.768 1.317 -6.401 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.515 3.649 -6.621 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.128 2.348 -4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.560 3.799 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.447 4.744 -3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.162 4.599 -4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.393 1.604 -3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.028 2.312 -5.131 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.886 0.950 -5.203 1.00 0.00 H new ATOM 98 N GLU A 10 -2.767 5.401 -6.694 1.00 0.00 N ATOM 99 CA GLU A 10 -1.766 6.460 -6.750 1.00 0.00 C ATOM 100 C GLU A 10 -2.082 7.562 -5.742 1.00 0.00 C ATOM 101 O GLU A 10 -3.004 8.354 -5.941 1.00 0.00 O ATOM 102 CB GLU A 10 -1.692 7.049 -8.160 1.00 0.00 C ATOM 103 CG GLU A 10 -0.329 7.622 -8.510 1.00 0.00 C ATOM 104 CD GLU A 10 -0.411 8.738 -9.534 1.00 0.00 C ATOM 105 OE1 GLU A 10 -0.994 8.510 -10.615 1.00 0.00 O ATOM 106 OE2 GLU A 10 0.107 9.839 -9.254 1.00 0.00 O ATOM 0 H GLU A 10 -3.664 5.645 -7.114 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.800 6.025 -6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.947 6.274 -8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.442 7.834 -8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.146 7.999 -7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.308 6.826 -8.896 1.00 0.00 H new ATOM 113 N LEU A 11 -1.312 7.605 -4.661 1.00 0.00 N ATOM 114 CA LEU A 11 -1.509 8.609 -3.621 1.00 0.00 C ATOM 115 C LEU A 11 -0.453 9.705 -3.715 1.00 0.00 C ATOM 116 O LEU A 11 0.699 9.463 -4.078 1.00 0.00 O ATOM 117 CB LEU A 11 -1.461 7.956 -2.239 1.00 0.00 C ATOM 118 CG LEU A 11 -2.495 6.860 -1.977 1.00 0.00 C ATOM 119 CD1 LEU A 11 -2.096 6.027 -0.769 1.00 0.00 C ATOM 120 CD2 LEU A 11 -3.876 7.467 -1.777 1.00 0.00 C ATOM 0 H LEU A 11 -0.545 6.957 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.490 9.062 -3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.467 7.532 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.588 8.735 -1.487 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.531 6.205 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.844 5.252 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.127 5.562 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.031 6.668 0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.599 6.673 -1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.855 8.145 -0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.164 8.019 -2.672 1.00 0.00 H new ATOM 132 N PRO A 12 -0.851 10.941 -3.379 1.00 0.00 N ATOM 133 CA PRO A 12 0.048 12.099 -3.415 1.00 0.00 C ATOM 134 C PRO A 12 1.113 12.040 -2.326 1.00 0.00 C ATOM 135 O PRO A 12 0.805 11.841 -1.150 1.00 0.00 O ATOM 136 CB PRO A 12 -0.892 13.284 -3.179 1.00 0.00 C ATOM 137 CG PRO A 12 -2.046 12.710 -2.432 1.00 0.00 C ATOM 138 CD PRO A 12 -2.208 11.303 -2.937 1.00 0.00 C ATOM 0 HA PRO A 12 0.602 12.156 -4.352 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.401 14.070 -2.606 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.212 13.729 -4.121 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.860 12.720 -1.358 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.951 13.293 -2.604 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.568 10.634 -2.155 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.925 11.250 -3.756 1.00 0.00 H new ATOM 146 N LYS A 13 2.369 12.215 -2.723 1.00 0.00 N ATOM 147 CA LYS A 13 3.482 12.183 -1.782 1.00 0.00 C ATOM 148 C LYS A 13 3.566 13.487 -0.995 1.00 0.00 C ATOM 149 O LYS A 13 3.960 14.524 -1.530 1.00 0.00 O ATOM 150 CB LYS A 13 4.798 11.937 -2.523 1.00 0.00 C ATOM 151 CG LYS A 13 6.028 12.088 -1.645 1.00 0.00 C ATOM 152 CD LYS A 13 6.367 10.789 -0.934 1.00 0.00 C ATOM 153 CE LYS A 13 5.680 10.699 0.420 1.00 0.00 C ATOM 154 NZ LYS A 13 6.424 11.447 1.471 1.00 0.00 N ATOM 0 H LYS A 13 2.642 12.381 -3.692 1.00 0.00 H new ATOM 0 HA LYS A 13 3.309 11.366 -1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.785 10.932 -2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.871 12.633 -3.358 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.875 12.402 -2.255 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.857 12.873 -0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.065 9.944 -1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.446 10.717 -0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.668 11.095 0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.591 9.653 0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.923 11.361 2.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.382 11.053 1.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.487 12.450 1.204 1.00 0.00 H new ATOM 168 N THR A 14 3.193 13.428 0.280 1.00 0.00 N ATOM 169 CA THR A 14 3.227 14.604 1.141 1.00 0.00 C ATOM 170 C THR A 14 3.437 14.212 2.599 1.00 0.00 C ATOM 171 O THR A 14 2.721 13.365 3.133 1.00 0.00 O ATOM 172 CB THR A 14 1.928 15.423 1.024 1.00 0.00 C ATOM 173 OG1 THR A 14 0.810 14.632 1.441 1.00 0.00 O ATOM 174 CG2 THR A 14 1.715 15.898 -0.406 1.00 0.00 C ATOM 0 H THR A 14 2.864 12.579 0.739 1.00 0.00 H new ATOM 0 HA THR A 14 4.065 15.216 0.808 1.00 0.00 H new ATOM 0 HB THR A 14 2.016 16.296 1.671 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.124 13.893 2.003 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.792 16.474 -0.464 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.553 16.525 -0.710 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.647 15.036 -1.069 1.00 0.00 H new ATOM 182 N ASP A 15 4.422 14.834 3.238 1.00 0.00 N ATOM 183 CA ASP A 15 4.725 14.551 4.636 1.00 0.00 C ATOM 184 C ASP A 15 3.446 14.297 5.429 1.00 0.00 C ATOM 185 O ASP A 15 3.433 13.496 6.363 1.00 0.00 O ATOM 186 CB ASP A 15 5.502 15.713 5.257 1.00 0.00 C ATOM 187 CG ASP A 15 5.056 17.059 4.722 1.00 0.00 C ATOM 188 OD1 ASP A 15 3.831 17.288 4.638 1.00 0.00 O ATOM 189 OD2 ASP A 15 5.931 17.884 4.386 1.00 0.00 O ATOM 0 H ASP A 15 5.024 15.537 2.810 1.00 0.00 H new ATOM 0 HA ASP A 15 5.339 13.652 4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.374 15.695 6.339 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.566 15.581 5.060 1.00 0.00 H new ATOM 194 N GLU A 16 2.374 14.986 5.050 1.00 0.00 N ATOM 195 CA GLU A 16 1.092 14.836 5.727 1.00 0.00 C ATOM 196 C GLU A 16 0.843 13.379 6.105 1.00 0.00 C ATOM 197 O GLU A 16 0.389 13.081 7.209 1.00 0.00 O ATOM 198 CB GLU A 16 -0.044 15.344 4.835 1.00 0.00 C ATOM 199 CG GLU A 16 -0.072 16.856 4.688 1.00 0.00 C ATOM 200 CD GLU A 16 -1.465 17.389 4.412 1.00 0.00 C ATOM 201 OE1 GLU A 16 -2.327 17.285 5.309 1.00 0.00 O ATOM 202 OE2 GLU A 16 -1.692 17.909 3.299 1.00 0.00 O ATOM 0 H GLU A 16 2.368 15.653 4.278 1.00 0.00 H new ATOM 0 HA GLU A 16 1.121 15.430 6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.051 14.893 3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.996 15.010 5.248 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.314 17.313 5.599 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.593 17.151 3.877 1.00 0.00 H new ATOM 209 N GLY A 17 1.145 12.473 5.179 1.00 0.00 N ATOM 210 CA GLY A 17 0.947 11.058 5.433 1.00 0.00 C ATOM 211 C GLY A 17 -0.031 10.426 4.462 1.00 0.00 C ATOM 212 O GLY A 17 -0.740 11.127 3.739 1.00 0.00 O ATOM 0 H GLY A 17 1.523 12.694 4.258 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.905 10.542 5.366 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.582 10.922 6.451 1.00 0.00 H new ATOM 216 N LEU A 18 -0.068 9.098 4.444 1.00 0.00 N ATOM 217 CA LEU A 18 -0.965 8.371 3.553 1.00 0.00 C ATOM 218 C LEU A 18 -2.252 7.983 4.274 1.00 0.00 C ATOM 219 O LEU A 18 -3.346 8.106 3.724 1.00 0.00 O ATOM 220 CB LEU A 18 -0.273 7.118 3.011 1.00 0.00 C ATOM 221 CG LEU A 18 0.928 7.358 2.097 1.00 0.00 C ATOM 222 CD1 LEU A 18 0.508 8.125 0.853 1.00 0.00 C ATOM 223 CD2 LEU A 18 2.025 8.105 2.841 1.00 0.00 C ATOM 0 H LEU A 18 0.512 8.503 5.036 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.220 9.027 2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.054 6.513 3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.009 6.529 2.464 1.00 0.00 H new ATOM 0 HG LEU A 18 1.322 6.390 1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.377 8.286 0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.242 7.552 0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.088 9.088 1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.872 8.267 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.643 9.067 3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.347 7.517 3.700 1.00 0.00 H new ATOM 235 N GLY A 19 -2.114 7.515 5.511 1.00 0.00 N ATOM 236 CA GLY A 19 -3.273 7.118 6.288 1.00 0.00 C ATOM 237 C GLY A 19 -3.582 5.640 6.156 1.00 0.00 C ATOM 238 O GLY A 19 -4.746 5.244 6.104 1.00 0.00 O ATOM 0 H GLY A 19 -1.220 7.404 5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.102 7.358 7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.138 7.697 5.965 1.00 0.00 H new ATOM 242 N PHE A 20 -2.536 4.821 6.101 1.00 0.00 N ATOM 243 CA PHE A 20 -2.701 3.378 5.971 1.00 0.00 C ATOM 244 C PHE A 20 -1.587 2.635 6.702 1.00 0.00 C ATOM 245 O PHE A 20 -0.454 3.111 6.776 1.00 0.00 O ATOM 246 CB PHE A 20 -2.714 2.976 4.494 1.00 0.00 C ATOM 247 CG PHE A 20 -1.344 2.877 3.888 1.00 0.00 C ATOM 248 CD1 PHE A 20 -0.494 1.836 4.229 1.00 0.00 C ATOM 249 CD2 PHE A 20 -0.905 3.824 2.977 1.00 0.00 C ATOM 250 CE1 PHE A 20 0.767 1.744 3.673 1.00 0.00 C ATOM 251 CE2 PHE A 20 0.356 3.736 2.417 1.00 0.00 C ATOM 252 CZ PHE A 20 1.193 2.694 2.765 1.00 0.00 C ATOM 0 H PHE A 20 -1.566 5.132 6.144 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.654 3.104 6.424 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.218 2.015 4.392 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.299 3.704 3.933 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.821 1.089 4.937 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.556 4.641 2.701 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.420 0.929 3.948 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.686 4.481 1.708 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.178 2.622 2.328 1.00 0.00 H new ATOM 262 N ASN A 21 -1.917 1.466 7.241 1.00 0.00 N ATOM 263 CA ASN A 21 -0.946 0.658 7.968 1.00 0.00 C ATOM 264 C ASN A 21 -0.723 -0.681 7.271 1.00 0.00 C ATOM 265 O ASN A 21 -1.629 -1.219 6.633 1.00 0.00 O ATOM 266 CB ASN A 21 -1.417 0.426 9.405 1.00 0.00 C ATOM 267 CG ASN A 21 -1.828 1.713 10.093 1.00 0.00 C ATOM 268 OD1 ASN A 21 -2.650 2.470 9.577 1.00 0.00 O ATOM 269 ND2 ASN A 21 -1.257 1.966 11.265 1.00 0.00 N ATOM 0 H ASN A 21 -2.850 1.057 7.188 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.001 1.200 7.987 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.259 -0.266 9.401 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.618 -0.048 9.974 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.495 2.817 11.775 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.581 1.310 11.655 1.00 0.00 H new ATOM 276 N ILE A 22 0.487 -1.214 7.399 1.00 0.00 N ATOM 277 CA ILE A 22 0.828 -2.491 6.784 1.00 0.00 C ATOM 278 C ILE A 22 1.726 -3.319 7.697 1.00 0.00 C ATOM 279 O ILE A 22 2.538 -2.775 8.445 1.00 0.00 O ATOM 280 CB ILE A 22 1.535 -2.293 5.430 1.00 0.00 C ATOM 281 CG1 ILE A 22 2.781 -1.422 5.603 1.00 0.00 C ATOM 282 CG2 ILE A 22 0.582 -1.668 4.421 1.00 0.00 C ATOM 283 CD1 ILE A 22 3.655 -1.365 4.370 1.00 0.00 C ATOM 0 H ILE A 22 1.248 -0.782 7.923 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.110 -3.023 6.621 1.00 0.00 H new ATOM 0 HB ILE A 22 1.845 -3.268 5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.473 -0.410 5.867 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.369 -1.805 6.438 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.096 -1.534 3.469 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.279 -2.322 4.280 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.245 -0.699 4.790 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.519 -0.730 4.566 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.993 -2.370 4.117 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.084 -0.954 3.538 1.00 0.00 H new ATOM 295 N MET A 23 1.576 -4.638 7.628 1.00 0.00 N ATOM 296 CA MET A 23 2.376 -5.542 8.446 1.00 0.00 C ATOM 297 C MET A 23 2.838 -6.746 7.633 1.00 0.00 C ATOM 298 O MET A 23 2.099 -7.261 6.794 1.00 0.00 O ATOM 299 CB MET A 23 1.572 -6.009 9.661 1.00 0.00 C ATOM 300 CG MET A 23 0.402 -6.912 9.305 1.00 0.00 C ATOM 301 SD MET A 23 -0.149 -7.916 10.698 1.00 0.00 S ATOM 302 CE MET A 23 -1.785 -7.241 10.975 1.00 0.00 C ATOM 0 H MET A 23 0.908 -5.104 7.014 1.00 0.00 H new ATOM 0 HA MET A 23 3.257 -4.999 8.789 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.236 -6.540 10.343 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.197 -5.136 10.196 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.429 -6.301 8.951 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.690 -7.566 8.482 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.400 -7.978 11.492 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.709 -6.340 11.584 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.243 -6.994 10.018 1.00 0.00 H new ATOM 312 N GLY A 24 4.065 -7.191 7.887 1.00 0.00 N ATOM 313 CA GLY A 24 4.603 -8.332 7.170 1.00 0.00 C ATOM 314 C GLY A 24 6.032 -8.109 6.715 1.00 0.00 C ATOM 315 O GLY A 24 6.836 -7.521 7.437 1.00 0.00 O ATOM 0 H GLY A 24 4.696 -6.782 8.576 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.562 -9.212 7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.977 -8.540 6.302 1.00 0.00 H new ATOM 319 N GLY A 25 6.350 -8.581 5.513 1.00 0.00 N ATOM 320 CA GLY A 25 7.692 -8.422 4.985 1.00 0.00 C ATOM 321 C GLY A 25 8.370 -9.750 4.714 1.00 0.00 C ATOM 322 O GLY A 25 7.986 -10.477 3.797 1.00 0.00 O ATOM 0 H GLY A 25 5.702 -9.071 4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.650 -7.844 4.062 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.292 -7.849 5.692 1.00 0.00 H new ATOM 326 N LYS A 26 9.383 -10.070 5.512 1.00 0.00 N ATOM 327 CA LYS A 26 10.118 -11.320 5.354 1.00 0.00 C ATOM 328 C LYS A 26 9.842 -12.263 6.521 1.00 0.00 C ATOM 329 O LYS A 26 10.525 -13.273 6.688 1.00 0.00 O ATOM 330 CB LYS A 26 11.619 -11.043 5.252 1.00 0.00 C ATOM 331 CG LYS A 26 12.073 -10.655 3.856 1.00 0.00 C ATOM 332 CD LYS A 26 13.585 -10.714 3.724 1.00 0.00 C ATOM 333 CE LYS A 26 14.079 -12.147 3.602 1.00 0.00 C ATOM 334 NZ LYS A 26 15.404 -12.222 2.926 1.00 0.00 N ATOM 0 H LYS A 26 9.714 -9.480 6.276 1.00 0.00 H new ATOM 0 HA LYS A 26 9.780 -11.799 4.435 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.880 -10.243 5.945 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.166 -11.931 5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.617 -11.323 3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.726 -9.647 3.627 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.897 -10.145 2.848 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.046 -10.242 4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.152 -12.592 4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.352 -12.735 3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.706 -13.215 2.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.329 -11.821 1.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.104 -11.682 3.474 1.00 0.00 H new ATOM 348 N GLU A 27 8.836 -11.928 7.323 1.00 0.00 N ATOM 349 CA GLU A 27 8.471 -12.747 8.472 1.00 0.00 C ATOM 350 C GLU A 27 7.724 -14.002 8.031 1.00 0.00 C ATOM 351 O GLU A 27 6.554 -13.940 7.655 1.00 0.00 O ATOM 352 CB GLU A 27 7.607 -11.943 9.446 1.00 0.00 C ATOM 353 CG GLU A 27 8.294 -10.698 9.983 1.00 0.00 C ATOM 354 CD GLU A 27 9.672 -10.988 10.543 1.00 0.00 C ATOM 355 OE1 GLU A 27 10.629 -11.084 9.747 1.00 0.00 O ATOM 356 OE2 GLU A 27 9.794 -11.118 11.780 1.00 0.00 O ATOM 0 H GLU A 27 8.260 -11.096 7.198 1.00 0.00 H new ATOM 0 HA GLU A 27 9.389 -13.049 8.976 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.684 -11.651 8.944 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.326 -12.583 10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.378 -9.961 9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.675 -10.254 10.763 1.00 0.00 H new ATOM 363 N GLN A 28 8.411 -15.140 8.079 1.00 0.00 N ATOM 364 CA GLN A 28 7.813 -16.409 7.683 1.00 0.00 C ATOM 365 C GLN A 28 7.252 -16.328 6.267 1.00 0.00 C ATOM 366 O GLN A 28 6.192 -16.882 5.976 1.00 0.00 O ATOM 367 CB GLN A 28 6.705 -16.803 8.661 1.00 0.00 C ATOM 368 CG GLN A 28 6.415 -18.295 8.684 1.00 0.00 C ATOM 369 CD GLN A 28 5.387 -18.705 7.648 1.00 0.00 C ATOM 370 OE1 GLN A 28 4.330 -18.084 7.526 1.00 0.00 O ATOM 371 NE2 GLN A 28 5.690 -19.757 6.896 1.00 0.00 N ATOM 0 H GLN A 28 9.381 -15.208 8.388 1.00 0.00 H new ATOM 0 HA GLN A 28 8.593 -17.170 7.703 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.986 -16.481 9.664 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.792 -16.268 8.398 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.340 -18.844 8.509 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.059 -18.577 9.675 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.577 -20.242 7.031 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.036 -20.080 6.183 1.00 0.00 H new ATOM 380 N ASN A 29 7.970 -15.634 5.390 1.00 0.00 N ATOM 381 CA ASN A 29 7.543 -15.480 4.004 1.00 0.00 C ATOM 382 C ASN A 29 6.113 -14.953 3.931 1.00 0.00 C ATOM 383 O ASN A 29 5.316 -15.402 3.107 1.00 0.00 O ATOM 384 CB ASN A 29 7.644 -16.817 3.266 1.00 0.00 C ATOM 385 CG ASN A 29 9.034 -17.070 2.716 1.00 0.00 C ATOM 386 OD1 ASN A 29 9.821 -17.812 3.303 1.00 0.00 O ATOM 387 ND2 ASN A 29 9.343 -16.451 1.582 1.00 0.00 N ATOM 0 H ASN A 29 8.850 -15.169 5.614 1.00 0.00 H new ATOM 0 HA ASN A 29 8.203 -14.757 3.525 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.372 -17.625 3.945 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.924 -16.833 2.448 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.264 -16.582 1.164 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.659 -15.845 1.129 1.00 0.00 H new ATOM 394 N SER A 30 5.796 -13.997 4.798 1.00 0.00 N ATOM 395 CA SER A 30 4.462 -13.410 4.834 1.00 0.00 C ATOM 396 C SER A 30 4.369 -12.213 3.893 1.00 0.00 C ATOM 397 O SER A 30 5.219 -11.322 3.894 1.00 0.00 O ATOM 398 CB SER A 30 4.109 -12.980 6.259 1.00 0.00 C ATOM 399 OG SER A 30 4.943 -11.921 6.694 1.00 0.00 O ATOM 0 H SER A 30 6.445 -13.613 5.485 1.00 0.00 H new ATOM 0 HA SER A 30 3.751 -14.167 4.503 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.066 -12.666 6.299 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.212 -13.829 6.934 1.00 0.00 H new ATOM 0 HG SER A 30 5.753 -12.290 7.104 1.00 0.00 H new ATOM 405 N PRO A 31 3.311 -12.190 3.068 1.00 0.00 N ATOM 406 CA PRO A 31 3.081 -11.108 2.106 1.00 0.00 C ATOM 407 C PRO A 31 2.701 -9.798 2.787 1.00 0.00 C ATOM 408 O PRO A 31 2.101 -9.797 3.862 1.00 0.00 O ATOM 409 CB PRO A 31 1.915 -11.628 1.260 1.00 0.00 C ATOM 410 CG PRO A 31 1.201 -12.588 2.148 1.00 0.00 C ATOM 411 CD PRO A 31 2.259 -13.218 3.012 1.00 0.00 C ATOM 0 HA PRO A 31 3.977 -10.879 1.528 1.00 0.00 H new ATOM 0 HB2 PRO A 31 1.259 -10.815 0.947 1.00 0.00 H new ATOM 0 HB3 PRO A 31 2.271 -12.117 0.353 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.454 -12.076 2.756 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.674 -13.342 1.564 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.877 -13.457 4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.629 -14.148 2.580 1.00 0.00 H new ATOM 419 N ILE A 32 3.055 -8.684 2.155 1.00 0.00 N ATOM 420 CA ILE A 32 2.750 -7.367 2.700 1.00 0.00 C ATOM 421 C ILE A 32 1.335 -6.934 2.332 1.00 0.00 C ATOM 422 O ILE A 32 0.940 -6.990 1.167 1.00 0.00 O ATOM 423 CB ILE A 32 3.746 -6.305 2.198 1.00 0.00 C ATOM 424 CG1 ILE A 32 5.174 -6.685 2.596 1.00 0.00 C ATOM 425 CG2 ILE A 32 3.383 -4.935 2.750 1.00 0.00 C ATOM 426 CD1 ILE A 32 6.234 -6.036 1.735 1.00 0.00 C ATOM 0 H ILE A 32 3.553 -8.667 1.265 1.00 0.00 H new ATOM 0 HA ILE A 32 2.833 -7.448 3.784 1.00 0.00 H new ATOM 0 HB ILE A 32 3.691 -6.262 1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.340 -6.404 3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.283 -7.768 2.538 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.096 -4.195 2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.380 -4.664 2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.412 -4.962 3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.221 -6.350 2.074 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.094 -6.337 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.152 -4.952 1.812 1.00 0.00 H new ATOM 438 N TYR A 33 0.576 -6.501 3.332 1.00 0.00 N ATOM 439 CA TYR A 33 -0.797 -6.059 3.115 1.00 0.00 C ATOM 440 C TYR A 33 -1.173 -4.949 4.091 1.00 0.00 C ATOM 441 O TYR A 33 -0.385 -4.581 4.963 1.00 0.00 O ATOM 442 CB TYR A 33 -1.763 -7.235 3.265 1.00 0.00 C ATOM 443 CG TYR A 33 -1.584 -8.005 4.553 1.00 0.00 C ATOM 444 CD1 TYR A 33 -0.706 -9.080 4.626 1.00 0.00 C ATOM 445 CD2 TYR A 33 -2.293 -7.660 5.697 1.00 0.00 C ATOM 446 CE1 TYR A 33 -0.539 -9.788 5.801 1.00 0.00 C ATOM 447 CE2 TYR A 33 -2.131 -8.361 6.877 1.00 0.00 C ATOM 448 CZ TYR A 33 -1.253 -9.424 6.923 1.00 0.00 C ATOM 449 OH TYR A 33 -1.091 -10.126 8.096 1.00 0.00 O ATOM 0 H TYR A 33 0.888 -6.446 4.302 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.869 -5.665 2.101 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.786 -6.863 3.213 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.628 -7.915 2.424 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.145 -9.367 3.749 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.983 -6.830 5.664 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.147 -10.621 5.840 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.688 -8.078 7.758 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.845 -9.508 8.816 1.00 0.00 H new ATOM 459 N ILE A 34 -2.382 -4.419 3.938 1.00 0.00 N ATOM 460 CA ILE A 34 -2.864 -3.353 4.806 1.00 0.00 C ATOM 461 C ILE A 34 -3.395 -3.912 6.121 1.00 0.00 C ATOM 462 O ILE A 34 -4.395 -4.631 6.143 1.00 0.00 O ATOM 463 CB ILE A 34 -3.974 -2.530 4.125 1.00 0.00 C ATOM 464 CG1 ILE A 34 -3.472 -1.957 2.798 1.00 0.00 C ATOM 465 CG2 ILE A 34 -4.447 -1.415 5.045 1.00 0.00 C ATOM 466 CD1 ILE A 34 -2.295 -1.019 2.952 1.00 0.00 C ATOM 0 H ILE A 34 -3.046 -4.711 3.220 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.013 -2.702 5.008 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.819 -3.187 3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.188 -2.779 2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.288 -1.426 2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.231 -0.843 4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.839 -1.845 5.967 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.610 -0.757 5.279 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.992 -0.651 1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.581 -0.177 3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.463 -1.552 3.412 1.00 0.00 H new ATOM 478 N SER A 35 -2.721 -3.577 7.217 1.00 0.00 N ATOM 479 CA SER A 35 -3.124 -4.048 8.537 1.00 0.00 C ATOM 480 C SER A 35 -4.331 -3.266 9.047 1.00 0.00 C ATOM 481 O SER A 35 -5.320 -3.850 9.491 1.00 0.00 O ATOM 482 CB SER A 35 -1.963 -3.917 9.524 1.00 0.00 C ATOM 483 OG SER A 35 -1.659 -2.557 9.776 1.00 0.00 O ATOM 0 H SER A 35 -1.893 -2.981 7.217 1.00 0.00 H new ATOM 0 HA SER A 35 -3.403 -5.098 8.452 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.219 -4.415 10.459 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.083 -4.422 9.124 1.00 0.00 H new ATOM 0 HG SER A 35 -0.915 -2.500 10.411 1.00 0.00 H new ATOM 489 N ARG A 36 -4.242 -1.942 8.979 1.00 0.00 N ATOM 490 CA ARG A 36 -5.325 -1.079 9.435 1.00 0.00 C ATOM 491 C ARG A 36 -5.376 0.208 8.617 1.00 0.00 C ATOM 492 O ARG A 36 -4.345 0.715 8.174 1.00 0.00 O ATOM 493 CB ARG A 36 -5.152 -0.748 10.918 1.00 0.00 C ATOM 494 CG ARG A 36 -6.458 -0.427 11.627 1.00 0.00 C ATOM 495 CD ARG A 36 -6.217 0.043 13.053 1.00 0.00 C ATOM 496 NE ARG A 36 -5.726 -1.035 13.908 1.00 0.00 N ATOM 497 CZ ARG A 36 -6.480 -2.047 14.322 1.00 0.00 C ATOM 498 NH1 ARG A 36 -7.754 -2.119 13.960 1.00 0.00 N ATOM 499 NH2 ARG A 36 -5.961 -2.989 15.098 1.00 0.00 N ATOM 0 H ARG A 36 -3.431 -1.443 8.613 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.265 -1.614 9.297 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.676 -1.592 11.417 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.477 0.102 11.015 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.993 0.345 11.074 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.095 -1.312 11.637 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.495 0.860 13.049 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.145 0.440 13.466 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.750 -1.009 14.203 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.156 -1.396 13.363 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.332 -2.897 14.279 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.981 -2.937 15.378 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.541 -3.766 15.415 1.00 0.00 H new ATOM 513 N VAL A 37 -6.582 0.732 8.422 1.00 0.00 N ATOM 514 CA VAL A 37 -6.767 1.961 7.658 1.00 0.00 C ATOM 515 C VAL A 37 -7.320 3.076 8.538 1.00 0.00 C ATOM 516 O VAL A 37 -8.229 2.856 9.338 1.00 0.00 O ATOM 517 CB VAL A 37 -7.717 1.743 6.466 1.00 0.00 C ATOM 518 CG1 VAL A 37 -7.922 3.042 5.702 1.00 0.00 C ATOM 519 CG2 VAL A 37 -7.180 0.654 5.549 1.00 0.00 C ATOM 0 H VAL A 37 -7.445 0.325 8.782 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.786 2.251 7.282 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.684 1.419 6.849 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.596 2.868 4.863 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.354 3.790 6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.963 3.400 5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.864 0.513 4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.200 0.947 5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.091 -0.279 6.106 1.00 0.00 H new ATOM 529 N ILE A 38 -6.765 4.274 8.384 1.00 0.00 N ATOM 530 CA ILE A 38 -7.204 5.424 9.163 1.00 0.00 C ATOM 531 C ILE A 38 -8.569 5.917 8.695 1.00 0.00 C ATOM 532 O ILE A 38 -8.814 6.104 7.503 1.00 0.00 O ATOM 533 CB ILE A 38 -6.194 6.584 9.073 1.00 0.00 C ATOM 534 CG1 ILE A 38 -4.763 6.048 9.143 1.00 0.00 C ATOM 535 CG2 ILE A 38 -6.444 7.591 10.186 1.00 0.00 C ATOM 536 CD1 ILE A 38 -4.481 5.238 10.389 1.00 0.00 C ATOM 0 H ILE A 38 -6.011 4.473 7.727 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.275 5.094 10.199 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.326 7.089 8.116 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.572 5.429 8.266 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.067 6.886 9.099 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.723 8.405 10.109 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.454 7.991 10.094 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.335 7.099 11.153 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.448 4.890 10.371 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.639 5.859 11.270 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.152 4.380 10.425 1.00 0.00 H new ATOM 548 N PRO A 39 -9.481 6.135 9.654 1.00 0.00 N ATOM 549 CA PRO A 39 -10.837 6.611 9.365 1.00 0.00 C ATOM 550 C PRO A 39 -10.852 8.058 8.885 1.00 0.00 C ATOM 551 O PRO A 39 -11.915 8.654 8.712 1.00 0.00 O ATOM 552 CB PRO A 39 -11.552 6.487 10.712 1.00 0.00 C ATOM 553 CG PRO A 39 -10.464 6.572 11.727 1.00 0.00 C ATOM 554 CD PRO A 39 -9.258 5.933 11.096 1.00 0.00 C ATOM 0 HA PRO A 39 -11.307 6.040 8.564 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.283 7.284 10.847 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -12.092 5.543 10.788 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.261 7.609 11.995 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -10.745 6.054 12.644 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.333 6.403 11.429 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.186 4.875 11.347 1.00 0.00 H new ATOM 562 N GLY A 40 -9.666 8.619 8.670 1.00 0.00 N ATOM 563 CA GLY A 40 -9.567 9.992 8.211 1.00 0.00 C ATOM 564 C GLY A 40 -8.189 10.325 7.673 1.00 0.00 C ATOM 565 O GLY A 40 -7.535 11.250 8.152 1.00 0.00 O ATOM 0 H GLY A 40 -8.772 8.147 8.806 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.310 10.166 7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.805 10.665 9.035 1.00 0.00 H new ATOM 569 N GLY A 41 -7.747 9.568 6.673 1.00 0.00 N ATOM 570 CA GLY A 41 -6.441 9.803 6.087 1.00 0.00 C ATOM 571 C GLY A 41 -6.507 10.011 4.587 1.00 0.00 C ATOM 572 O GLY A 41 -7.549 9.793 3.968 1.00 0.00 O ATOM 0 H GLY A 41 -8.270 8.797 6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.990 10.679 6.553 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.791 8.956 6.305 1.00 0.00 H new ATOM 576 N VAL A 42 -5.393 10.435 3.999 1.00 0.00 N ATOM 577 CA VAL A 42 -5.328 10.673 2.563 1.00 0.00 C ATOM 578 C VAL A 42 -5.917 9.502 1.784 1.00 0.00 C ATOM 579 O VAL A 42 -6.657 9.693 0.820 1.00 0.00 O ATOM 580 CB VAL A 42 -3.879 10.909 2.097 1.00 0.00 C ATOM 581 CG1 VAL A 42 -3.823 11.069 0.585 1.00 0.00 C ATOM 582 CG2 VAL A 42 -3.288 12.126 2.792 1.00 0.00 C ATOM 0 H VAL A 42 -4.522 10.621 4.496 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.915 11.569 2.365 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.282 10.038 2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.791 11.235 0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.204 10.166 0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.433 11.921 0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.264 12.278 2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.884 13.007 2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.292 11.967 3.870 1.00 0.00 H new ATOM 592 N ALA A 43 -5.582 8.288 2.210 1.00 0.00 N ATOM 593 CA ALA A 43 -6.079 7.085 1.555 1.00 0.00 C ATOM 594 C ALA A 43 -7.591 6.957 1.714 1.00 0.00 C ATOM 595 O ALA A 43 -8.334 7.005 0.734 1.00 0.00 O ATOM 596 CB ALA A 43 -5.382 5.853 2.114 1.00 0.00 C ATOM 0 H ALA A 43 -4.969 8.112 3.006 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.857 7.163 0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.763 4.962 1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.308 5.933 1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.574 5.780 3.184 1.00 0.00 H new ATOM 602 N ASP A 44 -8.039 6.795 2.954 1.00 0.00 N ATOM 603 CA ASP A 44 -9.462 6.661 3.242 1.00 0.00 C ATOM 604 C ASP A 44 -10.289 7.548 2.316 1.00 0.00 C ATOM 605 O ASP A 44 -11.312 7.120 1.781 1.00 0.00 O ATOM 606 CB ASP A 44 -9.745 7.021 4.701 1.00 0.00 C ATOM 607 CG ASP A 44 -11.150 6.643 5.128 1.00 0.00 C ATOM 608 OD1 ASP A 44 -11.360 5.472 5.508 1.00 0.00 O ATOM 609 OD2 ASP A 44 -12.040 7.518 5.082 1.00 0.00 O ATOM 0 H ASP A 44 -7.437 6.753 3.776 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.746 5.623 3.071 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.024 6.515 5.344 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.601 8.092 4.843 1.00 0.00 H new ATOM 614 N ARG A 45 -9.839 8.785 2.133 1.00 0.00 N ATOM 615 CA ARG A 45 -10.539 9.733 1.274 1.00 0.00 C ATOM 616 C ARG A 45 -10.546 9.252 -0.174 1.00 0.00 C ATOM 617 O ARG A 45 -11.599 9.168 -0.807 1.00 0.00 O ATOM 618 CB ARG A 45 -9.885 11.113 1.362 1.00 0.00 C ATOM 619 CG ARG A 45 -10.027 11.769 2.725 1.00 0.00 C ATOM 620 CD ARG A 45 -9.658 13.243 2.675 1.00 0.00 C ATOM 621 NE ARG A 45 -8.229 13.442 2.444 1.00 0.00 N ATOM 622 CZ ARG A 45 -7.646 14.635 2.435 1.00 0.00 C ATOM 623 NH1 ARG A 45 -8.364 15.730 2.643 1.00 0.00 N ATOM 624 NH2 ARG A 45 -6.340 14.735 2.218 1.00 0.00 N ATOM 0 H ARG A 45 -8.993 9.154 2.568 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.570 9.805 1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.826 11.020 1.122 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.327 11.764 0.607 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.053 11.661 3.077 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.388 11.257 3.445 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.225 13.732 1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.944 13.720 3.612 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.648 12.620 2.281 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.368 15.658 2.811 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.913 16.645 2.635 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.784 13.895 2.058 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.893 15.652 2.211 1.00 0.00 H new ATOM 638 N HIS A 46 -9.363 8.938 -0.693 1.00 0.00 N ATOM 639 CA HIS A 46 -9.232 8.465 -2.067 1.00 0.00 C ATOM 640 C HIS A 46 -10.233 7.351 -2.356 1.00 0.00 C ATOM 641 O HIS A 46 -10.916 7.366 -3.379 1.00 0.00 O ATOM 642 CB HIS A 46 -7.809 7.968 -2.325 1.00 0.00 C ATOM 643 CG HIS A 46 -7.495 7.778 -3.776 1.00 0.00 C ATOM 644 ND1 HIS A 46 -7.932 6.692 -4.505 1.00 0.00 N ATOM 645 CD2 HIS A 46 -6.783 8.544 -4.636 1.00 0.00 C ATOM 646 CE1 HIS A 46 -7.501 6.798 -5.750 1.00 0.00 C ATOM 647 NE2 HIS A 46 -6.802 7.913 -5.855 1.00 0.00 N ATOM 0 H HIS A 46 -8.482 9.002 -0.183 1.00 0.00 H new ATOM 0 HA HIS A 46 -9.443 9.301 -2.734 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.102 8.679 -1.899 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.663 7.022 -1.803 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.292 9.478 -4.406 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.689 6.093 -6.546 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.349 8.251 -6.704 1.00 0.00 H new ATOM 655 N GLY A 47 -10.313 6.384 -1.447 1.00 0.00 N ATOM 656 CA GLY A 47 -11.233 5.275 -1.623 1.00 0.00 C ATOM 657 C GLY A 47 -10.677 4.200 -2.537 1.00 0.00 C ATOM 658 O GLY A 47 -11.386 3.677 -3.394 1.00 0.00 O ATOM 0 H GLY A 47 -9.758 6.349 -0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.461 4.839 -0.651 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.172 5.647 -2.034 1.00 0.00 H new ATOM 662 N GLY A 48 -9.401 3.872 -2.354 1.00 0.00 N ATOM 663 CA GLY A 48 -8.772 2.856 -3.177 1.00 0.00 C ATOM 664 C GLY A 48 -8.080 1.788 -2.353 1.00 0.00 C ATOM 665 O GLY A 48 -8.120 0.606 -2.696 1.00 0.00 O ATOM 0 H GLY A 48 -8.793 4.292 -1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.525 2.389 -3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.045 3.328 -3.839 1.00 0.00 H new ATOM 669 N LEU A 49 -7.443 2.204 -1.264 1.00 0.00 N ATOM 670 CA LEU A 49 -6.738 1.274 -0.389 1.00 0.00 C ATOM 671 C LEU A 49 -7.601 0.894 0.810 1.00 0.00 C ATOM 672 O LEU A 49 -8.234 1.749 1.430 1.00 0.00 O ATOM 673 CB LEU A 49 -5.423 1.892 0.090 1.00 0.00 C ATOM 674 CG LEU A 49 -4.250 1.815 -0.887 1.00 0.00 C ATOM 675 CD1 LEU A 49 -3.181 2.833 -0.520 1.00 0.00 C ATOM 676 CD2 LEU A 49 -3.666 0.410 -0.911 1.00 0.00 C ATOM 0 H LEU A 49 -7.400 3.179 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.522 0.370 -0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.603 2.940 0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.130 1.400 1.018 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.619 2.050 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.354 2.763 -1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.606 3.836 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.816 2.630 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.832 0.375 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.313 0.145 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.434 -0.298 -1.224 1.00 0.00 H new ATOM 688 N LYS A 50 -7.620 -0.395 1.134 1.00 0.00 N ATOM 689 CA LYS A 50 -8.402 -0.889 2.261 1.00 0.00 C ATOM 690 C LYS A 50 -7.694 -2.056 2.943 1.00 0.00 C ATOM 691 O LYS A 50 -6.795 -2.670 2.369 1.00 0.00 O ATOM 692 CB LYS A 50 -9.791 -1.326 1.792 1.00 0.00 C ATOM 693 CG LYS A 50 -10.566 -0.228 1.082 1.00 0.00 C ATOM 694 CD LYS A 50 -10.262 -0.204 -0.406 1.00 0.00 C ATOM 695 CE LYS A 50 -10.915 -1.372 -1.128 1.00 0.00 C ATOM 696 NZ LYS A 50 -12.321 -1.069 -1.514 1.00 0.00 N ATOM 0 H LYS A 50 -7.102 -1.116 0.632 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.507 -0.078 2.982 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.687 -2.178 1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.366 -1.667 2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.635 -0.379 1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.315 0.738 1.521 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.615 0.734 -0.835 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.183 -0.238 -0.558 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.338 -1.616 -2.020 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.896 -2.252 -0.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.731 -1.890 -2.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.878 -0.861 -0.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.337 -0.244 -2.148 1.00 0.00 H new ATOM 710 N ARG A 51 -8.108 -2.357 4.170 1.00 0.00 N ATOM 711 CA ARG A 51 -7.514 -3.451 4.929 1.00 0.00 C ATOM 712 C ARG A 51 -7.635 -4.769 4.170 1.00 0.00 C ATOM 713 O ARG A 51 -8.737 -5.216 3.853 1.00 0.00 O ATOM 714 CB ARG A 51 -8.187 -3.574 6.297 1.00 0.00 C ATOM 715 CG ARG A 51 -7.444 -4.484 7.262 1.00 0.00 C ATOM 716 CD ARG A 51 -8.213 -4.666 8.561 1.00 0.00 C ATOM 717 NE ARG A 51 -7.819 -5.883 9.265 1.00 0.00 N ATOM 718 CZ ARG A 51 -8.597 -6.511 10.140 1.00 0.00 C ATOM 719 NH1 ARG A 51 -9.804 -6.038 10.417 1.00 0.00 N ATOM 720 NH2 ARG A 51 -8.168 -7.614 10.740 1.00 0.00 N ATOM 0 H ARG A 51 -8.852 -1.859 4.659 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.456 -3.230 5.070 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.274 -2.582 6.740 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.200 -3.952 6.161 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.281 -5.455 6.795 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.461 -4.064 7.476 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.044 -3.804 9.206 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.281 -4.700 8.348 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.896 -6.272 9.075 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.137 -5.190 9.958 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.399 -6.522 11.089 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.240 -7.981 10.530 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.766 -8.095 11.412 1.00 0.00 H new ATOM 734 N GLY A 52 -6.494 -5.386 3.880 1.00 0.00 N ATOM 735 CA GLY A 52 -6.494 -6.646 3.160 1.00 0.00 C ATOM 736 C GLY A 52 -5.717 -6.571 1.860 1.00 0.00 C ATOM 737 O GLY A 52 -5.031 -7.521 1.484 1.00 0.00 O ATOM 0 H GLY A 52 -5.569 -5.036 4.131 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.064 -7.422 3.793 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.522 -6.940 2.949 1.00 0.00 H new ATOM 741 N ASP A 53 -5.827 -5.440 1.172 1.00 0.00 N ATOM 742 CA ASP A 53 -5.130 -5.244 -0.094 1.00 0.00 C ATOM 743 C ASP A 53 -3.643 -5.548 0.052 1.00 0.00 C ATOM 744 O ASP A 53 -2.901 -4.782 0.666 1.00 0.00 O ATOM 745 CB ASP A 53 -5.324 -3.811 -0.591 1.00 0.00 C ATOM 746 CG ASP A 53 -6.757 -3.529 -0.999 1.00 0.00 C ATOM 747 OD1 ASP A 53 -7.315 -4.320 -1.788 1.00 0.00 O ATOM 748 OD2 ASP A 53 -7.319 -2.517 -0.531 1.00 0.00 O ATOM 0 H ASP A 53 -6.392 -4.645 1.470 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.553 -5.934 -0.824 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.029 -3.114 0.194 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.665 -3.632 -1.441 1.00 0.00 H new ATOM 753 N GLN A 54 -3.215 -6.672 -0.515 1.00 0.00 N ATOM 754 CA GLN A 54 -1.816 -7.077 -0.446 1.00 0.00 C ATOM 755 C GLN A 54 -0.961 -6.246 -1.396 1.00 0.00 C ATOM 756 O GLN A 54 -1.234 -6.177 -2.595 1.00 0.00 O ATOM 757 CB GLN A 54 -1.676 -8.563 -0.781 1.00 0.00 C ATOM 758 CG GLN A 54 -0.338 -9.156 -0.370 1.00 0.00 C ATOM 759 CD GLN A 54 0.822 -8.582 -1.159 1.00 0.00 C ATOM 760 OE1 GLN A 54 0.639 -8.040 -2.249 1.00 0.00 O ATOM 761 NE2 GLN A 54 2.026 -8.697 -0.611 1.00 0.00 N ATOM 0 H GLN A 54 -3.817 -7.318 -1.027 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.465 -6.907 0.572 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.476 -9.115 -0.287 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.810 -8.699 -1.854 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.175 -8.974 0.692 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.366 -10.237 -0.508 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.133 -9.154 0.295 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.844 -8.328 -1.096 1.00 0.00 H new ATOM 770 N LEU A 55 0.076 -5.616 -0.855 1.00 0.00 N ATOM 771 CA LEU A 55 0.972 -4.788 -1.655 1.00 0.00 C ATOM 772 C LEU A 55 1.822 -5.648 -2.585 1.00 0.00 C ATOM 773 O LEU A 55 2.609 -6.481 -2.132 1.00 0.00 O ATOM 774 CB LEU A 55 1.876 -3.954 -0.745 1.00 0.00 C ATOM 775 CG LEU A 55 2.524 -2.726 -1.387 1.00 0.00 C ATOM 776 CD1 LEU A 55 1.473 -1.674 -1.707 1.00 0.00 C ATOM 777 CD2 LEU A 55 3.596 -2.151 -0.473 1.00 0.00 C ATOM 0 H LEU A 55 0.317 -5.663 0.135 1.00 0.00 H new ATOM 0 HA LEU A 55 0.363 -4.119 -2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.290 -3.624 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.667 -4.599 -0.362 1.00 0.00 H new ATOM 0 HG LEU A 55 2.996 -3.033 -2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.952 -0.808 -2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.741 -2.090 -2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.972 -1.369 -0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.047 -1.278 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.147 -1.859 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.364 -2.904 -0.294 1.00 0.00 H new ATOM 789 N LEU A 56 1.659 -5.440 -3.887 1.00 0.00 N ATOM 790 CA LEU A 56 2.413 -6.195 -4.882 1.00 0.00 C ATOM 791 C LEU A 56 3.734 -5.503 -5.205 1.00 0.00 C ATOM 792 O LEU A 56 4.802 -6.106 -5.106 1.00 0.00 O ATOM 793 CB LEU A 56 1.587 -6.361 -6.159 1.00 0.00 C ATOM 794 CG LEU A 56 0.293 -7.166 -6.021 1.00 0.00 C ATOM 795 CD1 LEU A 56 -0.569 -7.006 -7.263 1.00 0.00 C ATOM 796 CD2 LEU A 56 0.603 -8.634 -5.769 1.00 0.00 C ATOM 0 H LEU A 56 1.012 -4.755 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 56 2.631 -7.179 -4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.336 -5.370 -6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.212 -6.841 -6.912 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.263 -6.781 -5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.485 -7.585 -7.147 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.820 -5.954 -7.399 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.021 -7.364 -8.135 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.329 -9.191 -5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.180 -9.032 -6.603 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.180 -8.731 -4.849 1.00 0.00 H new ATOM 808 N SER A 57 3.652 -4.233 -5.588 1.00 0.00 N ATOM 809 CA SER A 57 4.841 -3.459 -5.926 1.00 0.00 C ATOM 810 C SER A 57 4.642 -1.983 -5.592 1.00 0.00 C ATOM 811 O SER A 57 3.544 -1.445 -5.736 1.00 0.00 O ATOM 812 CB SER A 57 5.173 -3.616 -7.411 1.00 0.00 C ATOM 813 OG SER A 57 4.094 -3.185 -8.223 1.00 0.00 O ATOM 0 H SER A 57 2.775 -3.718 -5.672 1.00 0.00 H new ATOM 0 HA SER A 57 5.672 -3.840 -5.333 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.066 -3.038 -7.650 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.401 -4.660 -7.628 1.00 0.00 H new ATOM 0 HG SER A 57 4.332 -3.294 -9.168 1.00 0.00 H new ATOM 819 N VAL A 58 5.712 -1.335 -5.144 1.00 0.00 N ATOM 820 CA VAL A 58 5.657 0.078 -4.789 1.00 0.00 C ATOM 821 C VAL A 58 6.605 0.900 -5.656 1.00 0.00 C ATOM 822 O VAL A 58 7.743 0.500 -5.899 1.00 0.00 O ATOM 823 CB VAL A 58 6.011 0.300 -3.307 1.00 0.00 C ATOM 824 CG1 VAL A 58 5.940 1.778 -2.956 1.00 0.00 C ATOM 825 CG2 VAL A 58 5.090 -0.515 -2.412 1.00 0.00 C ATOM 0 H VAL A 58 6.628 -1.766 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 58 4.633 0.408 -4.962 1.00 0.00 H new ATOM 0 HB VAL A 58 7.034 -0.038 -3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.193 1.915 -1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.645 2.333 -3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.930 2.147 -3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.354 -0.346 -1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.057 -0.210 -2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.198 -1.574 -2.647 1.00 0.00 H new ATOM 835 N ASN A 59 6.128 2.051 -6.118 1.00 0.00 N ATOM 836 CA ASN A 59 6.934 2.929 -6.958 1.00 0.00 C ATOM 837 C ASN A 59 7.503 2.169 -8.153 1.00 0.00 C ATOM 838 O ASN A 59 8.594 2.472 -8.632 1.00 0.00 O ATOM 839 CB ASN A 59 8.073 3.546 -6.143 1.00 0.00 C ATOM 840 CG ASN A 59 7.645 4.804 -5.413 1.00 0.00 C ATOM 841 OD1 ASN A 59 7.747 4.890 -4.189 1.00 0.00 O ATOM 842 ND2 ASN A 59 7.164 5.789 -6.163 1.00 0.00 N ATOM 0 H ASN A 59 5.188 2.397 -5.925 1.00 0.00 H new ATOM 0 HA ASN A 59 6.289 3.725 -7.330 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.436 2.815 -5.420 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.906 3.779 -6.806 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.861 6.660 -5.728 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.097 5.674 -7.174 1.00 0.00 H new ATOM 849 N GLY A 60 6.753 1.180 -8.629 1.00 0.00 N ATOM 850 CA GLY A 60 7.198 0.392 -9.764 1.00 0.00 C ATOM 851 C GLY A 60 8.311 -0.571 -9.400 1.00 0.00 C ATOM 852 O GLY A 60 9.175 -0.872 -10.224 1.00 0.00 O ATOM 0 H GLY A 60 5.846 0.910 -8.249 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.354 -0.168 -10.167 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.543 1.060 -10.553 1.00 0.00 H new ATOM 856 N VAL A 61 8.292 -1.054 -8.162 1.00 0.00 N ATOM 857 CA VAL A 61 9.308 -1.988 -7.690 1.00 0.00 C ATOM 858 C VAL A 61 8.672 -3.194 -7.009 1.00 0.00 C ATOM 859 O VAL A 61 8.035 -3.065 -5.963 1.00 0.00 O ATOM 860 CB VAL A 61 10.281 -1.310 -6.707 1.00 0.00 C ATOM 861 CG1 VAL A 61 11.291 -2.315 -6.177 1.00 0.00 C ATOM 862 CG2 VAL A 61 10.983 -0.138 -7.376 1.00 0.00 C ATOM 0 H VAL A 61 7.584 -0.814 -7.468 1.00 0.00 H new ATOM 0 HA VAL A 61 9.863 -2.321 -8.567 1.00 0.00 H new ATOM 0 HB VAL A 61 9.709 -0.927 -5.862 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.970 -1.818 -5.484 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.767 -3.118 -5.658 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.861 -2.731 -7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 61 11.667 0.329 -6.667 1.00 0.00 H new ATOM 0 HG22 VAL A 61 11.544 -0.495 -8.240 1.00 0.00 H new ATOM 0 HG23 VAL A 61 10.242 0.592 -7.701 1.00 0.00 H new ATOM 872 N SER A 62 8.850 -4.367 -7.607 1.00 0.00 N ATOM 873 CA SER A 62 8.290 -5.598 -7.059 1.00 0.00 C ATOM 874 C SER A 62 8.737 -5.801 -5.615 1.00 0.00 C ATOM 875 O SER A 62 9.888 -6.150 -5.352 1.00 0.00 O ATOM 876 CB SER A 62 8.712 -6.798 -7.909 1.00 0.00 C ATOM 877 OG SER A 62 10.118 -6.975 -7.879 1.00 0.00 O ATOM 0 H SER A 62 9.377 -4.492 -8.471 1.00 0.00 H new ATOM 0 HA SER A 62 7.203 -5.514 -7.077 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.221 -7.699 -7.541 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.382 -6.653 -8.938 1.00 0.00 H new ATOM 0 HG SER A 62 10.463 -6.709 -7.001 1.00 0.00 H new ATOM 883 N VAL A 63 7.817 -5.581 -4.681 1.00 0.00 N ATOM 884 CA VAL A 63 8.114 -5.741 -3.262 1.00 0.00 C ATOM 885 C VAL A 63 7.542 -7.048 -2.725 1.00 0.00 C ATOM 886 O VAL A 63 7.392 -7.221 -1.516 1.00 0.00 O ATOM 887 CB VAL A 63 7.551 -4.570 -2.436 1.00 0.00 C ATOM 888 CG1 VAL A 63 8.085 -3.244 -2.956 1.00 0.00 C ATOM 889 CG2 VAL A 63 6.030 -4.586 -2.455 1.00 0.00 C ATOM 0 H VAL A 63 6.860 -5.291 -4.881 1.00 0.00 H new ATOM 0 HA VAL A 63 9.200 -5.756 -3.165 1.00 0.00 H new ATOM 0 HB VAL A 63 7.879 -4.687 -1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.676 -2.428 -2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.173 -3.236 -2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.789 -3.116 -3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.650 -3.751 -1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.678 -4.495 -3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.671 -5.523 -2.030 1.00 0.00 H new ATOM 899 N GLU A 64 7.224 -7.966 -3.633 1.00 0.00 N ATOM 900 CA GLU A 64 6.668 -9.259 -3.249 1.00 0.00 C ATOM 901 C GLU A 64 7.740 -10.150 -2.630 1.00 0.00 C ATOM 902 O GLU A 64 8.560 -10.735 -3.335 1.00 0.00 O ATOM 903 CB GLU A 64 6.050 -9.954 -4.464 1.00 0.00 C ATOM 904 CG GLU A 64 4.669 -9.434 -4.827 1.00 0.00 C ATOM 905 CD GLU A 64 4.017 -10.235 -5.936 1.00 0.00 C ATOM 906 OE1 GLU A 64 3.363 -11.253 -5.628 1.00 0.00 O ATOM 907 OE2 GLU A 64 4.160 -9.843 -7.113 1.00 0.00 O ATOM 0 H GLU A 64 7.342 -7.839 -4.638 1.00 0.00 H new ATOM 0 HA GLU A 64 5.891 -9.085 -2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.713 -9.828 -5.320 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.985 -11.024 -4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.032 -9.459 -3.943 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.747 -8.391 -5.135 1.00 0.00 H new ATOM 914 N GLY A 65 7.726 -10.248 -1.304 1.00 0.00 N ATOM 915 CA GLY A 65 8.702 -11.069 -0.610 1.00 0.00 C ATOM 916 C GLY A 65 9.747 -10.242 0.112 1.00 0.00 C ATOM 917 O GLY A 65 10.187 -10.602 1.203 1.00 0.00 O ATOM 0 H GLY A 65 7.057 -9.774 -0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.189 -11.708 0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.195 -11.726 -1.327 1.00 0.00 H new ATOM 921 N GLU A 66 10.146 -9.130 -0.499 1.00 0.00 N ATOM 922 CA GLU A 66 11.148 -8.252 0.093 1.00 0.00 C ATOM 923 C GLU A 66 10.741 -7.835 1.504 1.00 0.00 C ATOM 924 O GLU A 66 9.571 -7.923 1.874 1.00 0.00 O ATOM 925 CB GLU A 66 11.350 -7.011 -0.779 1.00 0.00 C ATOM 926 CG GLU A 66 10.266 -5.960 -0.602 1.00 0.00 C ATOM 927 CD GLU A 66 10.601 -4.654 -1.296 1.00 0.00 C ATOM 928 OE1 GLU A 66 11.325 -4.691 -2.313 1.00 0.00 O ATOM 929 OE2 GLU A 66 10.139 -3.595 -0.822 1.00 0.00 O ATOM 0 H GLU A 66 9.791 -8.817 -1.402 1.00 0.00 H new ATOM 0 HA GLU A 66 12.087 -8.803 0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.317 -6.566 -0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.383 -7.314 -1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.325 -6.345 -0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.116 -5.774 0.461 1.00 0.00 H new ATOM 936 N GLN A 67 11.716 -7.382 2.285 1.00 0.00 N ATOM 937 CA GLN A 67 11.460 -6.953 3.655 1.00 0.00 C ATOM 938 C GLN A 67 10.326 -5.934 3.703 1.00 0.00 C ATOM 939 O GLN A 67 9.809 -5.516 2.667 1.00 0.00 O ATOM 940 CB GLN A 67 12.726 -6.354 4.269 1.00 0.00 C ATOM 941 CG GLN A 67 13.673 -7.394 4.846 1.00 0.00 C ATOM 942 CD GLN A 67 13.266 -7.848 6.234 1.00 0.00 C ATOM 943 OE1 GLN A 67 12.181 -7.519 6.714 1.00 0.00 O ATOM 944 NE2 GLN A 67 14.136 -8.610 6.887 1.00 0.00 N ATOM 0 H GLN A 67 12.690 -7.302 1.993 1.00 0.00 H new ATOM 0 HA GLN A 67 11.163 -7.828 4.234 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.252 -5.779 3.507 1.00 0.00 H new ATOM 0 HB3 GLN A 67 12.443 -5.656 5.057 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.707 -8.257 4.181 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.681 -6.981 4.884 1.00 0.00 H new ATOM 0 HE21 GLN A 67 15.024 -8.859 6.451 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.916 -8.947 7.824 1.00 0.00 H new ATOM 953 N HIS A 68 9.944 -5.539 4.913 1.00 0.00 N ATOM 954 CA HIS A 68 8.870 -4.569 5.097 1.00 0.00 C ATOM 955 C HIS A 68 9.392 -3.144 4.934 1.00 0.00 C ATOM 956 O HIS A 68 8.757 -2.311 4.288 1.00 0.00 O ATOM 957 CB HIS A 68 8.233 -4.736 6.476 1.00 0.00 C ATOM 958 CG HIS A 68 7.193 -3.704 6.785 1.00 0.00 C ATOM 959 ND1 HIS A 68 6.852 -3.340 8.070 1.00 0.00 N ATOM 960 CD2 HIS A 68 6.418 -2.955 5.965 1.00 0.00 C ATOM 961 CE1 HIS A 68 5.911 -2.413 8.028 1.00 0.00 C ATOM 962 NE2 HIS A 68 5.630 -2.161 6.762 1.00 0.00 N ATOM 0 H HIS A 68 10.362 -5.875 5.781 1.00 0.00 H new ATOM 0 HA HIS A 68 8.115 -4.751 4.332 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.781 -5.726 6.541 1.00 0.00 H new ATOM 0 HB3 HIS A 68 9.014 -4.692 7.235 1.00 0.00 H new ATOM 0 HD1 HIS A 68 7.262 -3.726 8.921 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.419 -2.978 4.885 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.450 -1.942 8.883 1.00 0.00 H new ATOM 970 N GLU A 69 10.552 -2.873 5.525 1.00 0.00 N ATOM 971 CA GLU A 69 11.157 -1.548 5.446 1.00 0.00 C ATOM 972 C GLU A 69 11.335 -1.117 3.993 1.00 0.00 C ATOM 973 O GLU A 69 10.899 -0.036 3.597 1.00 0.00 O ATOM 974 CB GLU A 69 12.510 -1.538 6.162 1.00 0.00 C ATOM 975 CG GLU A 69 12.414 -1.193 7.638 1.00 0.00 C ATOM 976 CD GLU A 69 13.774 -0.984 8.277 1.00 0.00 C ATOM 977 OE1 GLU A 69 14.616 -1.902 8.195 1.00 0.00 O ATOM 978 OE2 GLU A 69 13.994 0.099 8.859 1.00 0.00 O ATOM 0 H GLU A 69 11.091 -3.552 6.063 1.00 0.00 H new ATOM 0 HA GLU A 69 10.488 -0.841 5.937 1.00 0.00 H new ATOM 0 HB2 GLU A 69 12.975 -2.518 6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.166 -0.819 5.671 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.817 -0.289 7.758 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.890 -1.993 8.161 1.00 0.00 H new ATOM 985 N LYS A 70 11.978 -1.970 3.203 1.00 0.00 N ATOM 986 CA LYS A 70 12.214 -1.679 1.794 1.00 0.00 C ATOM 987 C LYS A 70 11.035 -0.924 1.190 1.00 0.00 C ATOM 988 O LYS A 70 11.213 0.110 0.546 1.00 0.00 O ATOM 989 CB LYS A 70 12.454 -2.976 1.018 1.00 0.00 C ATOM 990 CG LYS A 70 13.051 -2.759 -0.361 1.00 0.00 C ATOM 991 CD LYS A 70 14.570 -2.768 -0.319 1.00 0.00 C ATOM 992 CE LYS A 70 15.167 -2.685 -1.715 1.00 0.00 C ATOM 993 NZ LYS A 70 15.358 -1.275 -2.155 1.00 0.00 N ATOM 0 H LYS A 70 12.345 -2.869 3.515 1.00 0.00 H new ATOM 0 HA LYS A 70 13.101 -1.050 1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.120 -3.617 1.596 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.508 -3.508 0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.700 -3.539 -1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.703 -1.808 -0.764 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.923 -1.928 0.279 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.916 -3.677 0.172 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.126 -3.203 -1.731 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.514 -3.200 -2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.767 -1.262 -3.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.440 -0.787 -2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.001 -0.790 -1.497 1.00 0.00 H new ATOM 1007 N ALA A 71 9.831 -1.446 1.402 1.00 0.00 N ATOM 1008 CA ALA A 71 8.624 -0.818 0.882 1.00 0.00 C ATOM 1009 C ALA A 71 8.428 0.573 1.475 1.00 0.00 C ATOM 1010 O ALA A 71 8.126 1.528 0.758 1.00 0.00 O ATOM 1011 CB ALA A 71 7.410 -1.690 1.167 1.00 0.00 C ATOM 0 H ALA A 71 9.666 -2.303 1.931 1.00 0.00 H new ATOM 0 HA ALA A 71 8.737 -0.712 -0.197 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.515 -1.208 0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.539 -2.661 0.689 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.304 -1.826 2.243 1.00 0.00 H new ATOM 1017 N VAL A 72 8.601 0.681 2.788 1.00 0.00 N ATOM 1018 CA VAL A 72 8.444 1.956 3.478 1.00 0.00 C ATOM 1019 C VAL A 72 9.441 2.987 2.960 1.00 0.00 C ATOM 1020 O VAL A 72 9.053 4.046 2.468 1.00 0.00 O ATOM 1021 CB VAL A 72 8.630 1.798 4.999 1.00 0.00 C ATOM 1022 CG1 VAL A 72 8.504 3.145 5.695 1.00 0.00 C ATOM 1023 CG2 VAL A 72 7.622 0.804 5.557 1.00 0.00 C ATOM 0 H VAL A 72 8.850 -0.099 3.396 1.00 0.00 H new ATOM 0 HA VAL A 72 7.430 2.302 3.277 1.00 0.00 H new ATOM 0 HB VAL A 72 9.631 1.411 5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.638 3.014 6.769 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.267 3.824 5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.516 3.564 5.501 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.767 0.704 6.633 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.611 1.161 5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.765 -0.166 5.080 1.00 0.00 H new ATOM 1033 N GLU A 73 10.727 2.669 3.075 1.00 0.00 N ATOM 1034 CA GLU A 73 11.779 3.569 2.618 1.00 0.00 C ATOM 1035 C GLU A 73 11.506 4.047 1.195 1.00 0.00 C ATOM 1036 O GLU A 73 11.795 5.193 0.846 1.00 0.00 O ATOM 1037 CB GLU A 73 13.140 2.873 2.682 1.00 0.00 C ATOM 1038 CG GLU A 73 13.213 1.602 1.852 1.00 0.00 C ATOM 1039 CD GLU A 73 14.638 1.181 1.553 1.00 0.00 C ATOM 1040 OE1 GLU A 73 15.211 1.686 0.565 1.00 0.00 O ATOM 1041 OE2 GLU A 73 15.181 0.347 2.307 1.00 0.00 O ATOM 0 H GLU A 73 11.065 1.796 3.480 1.00 0.00 H new ATOM 0 HA GLU A 73 11.792 4.436 3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 73 13.909 3.565 2.340 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.367 2.632 3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.704 0.797 2.382 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.679 1.754 0.914 1.00 0.00 H new ATOM 1048 N LEU A 74 10.949 3.162 0.376 1.00 0.00 N ATOM 1049 CA LEU A 74 10.637 3.492 -1.010 1.00 0.00 C ATOM 1050 C LEU A 74 9.651 4.653 -1.085 1.00 0.00 C ATOM 1051 O LEU A 74 9.905 5.655 -1.755 1.00 0.00 O ATOM 1052 CB LEU A 74 10.060 2.270 -1.728 1.00 0.00 C ATOM 1053 CG LEU A 74 11.077 1.249 -2.239 1.00 0.00 C ATOM 1054 CD1 LEU A 74 10.376 -0.021 -2.694 1.00 0.00 C ATOM 1055 CD2 LEU A 74 11.903 1.840 -3.372 1.00 0.00 C ATOM 0 H LEU A 74 10.704 2.210 0.648 1.00 0.00 H new ATOM 0 HA LEU A 74 11.561 3.793 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.377 1.763 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.467 2.617 -2.574 1.00 0.00 H new ATOM 0 HG LEU A 74 11.750 0.994 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.116 -0.736 -3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.830 -0.455 -1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.679 0.216 -3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.621 1.099 -3.723 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.244 2.124 -4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 74 12.436 2.720 -3.013 1.00 0.00 H new ATOM 1067 N LEU A 75 8.526 4.512 -0.392 1.00 0.00 N ATOM 1068 CA LEU A 75 7.502 5.551 -0.378 1.00 0.00 C ATOM 1069 C LEU A 75 8.097 6.897 0.023 1.00 0.00 C ATOM 1070 O LEU A 75 7.971 7.885 -0.702 1.00 0.00 O ATOM 1071 CB LEU A 75 6.376 5.171 0.585 1.00 0.00 C ATOM 1072 CG LEU A 75 5.439 4.057 0.117 1.00 0.00 C ATOM 1073 CD1 LEU A 75 4.765 3.391 1.306 1.00 0.00 C ATOM 1074 CD2 LEU A 75 4.400 4.605 -0.850 1.00 0.00 C ATOM 0 H LEU A 75 8.300 3.689 0.167 1.00 0.00 H new ATOM 0 HA LEU A 75 7.096 5.640 -1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.822 4.869 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.779 6.061 0.783 1.00 0.00 H new ATOM 0 HG LEU A 75 6.032 3.306 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.102 2.601 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.523 2.963 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.186 4.131 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.742 3.798 -1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.812 5.376 -0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.901 5.034 -1.718 1.00 0.00 H new ATOM 1086 N LYS A 76 8.748 6.929 1.181 1.00 0.00 N ATOM 1087 CA LYS A 76 9.366 8.153 1.678 1.00 0.00 C ATOM 1088 C LYS A 76 10.339 8.726 0.653 1.00 0.00 C ATOM 1089 O LYS A 76 10.398 9.938 0.449 1.00 0.00 O ATOM 1090 CB LYS A 76 10.098 7.880 2.994 1.00 0.00 C ATOM 1091 CG LYS A 76 9.203 7.309 4.080 1.00 0.00 C ATOM 1092 CD LYS A 76 9.836 7.448 5.455 1.00 0.00 C ATOM 1093 CE LYS A 76 10.889 6.377 5.695 1.00 0.00 C ATOM 1094 NZ LYS A 76 12.229 6.796 5.200 1.00 0.00 N ATOM 0 H LYS A 76 8.861 6.121 1.793 1.00 0.00 H new ATOM 0 HA LYS A 76 8.577 8.884 1.852 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.917 7.185 2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.543 8.808 3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.242 7.822 4.068 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.005 6.257 3.874 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.291 8.434 5.549 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.064 7.378 6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.948 6.158 6.761 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.590 5.455 5.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.586 6.090 4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.151 7.719 4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.887 6.872 6.002 1.00 0.00 H new ATOM 1108 N ALA A 77 11.099 7.846 0.009 1.00 0.00 N ATOM 1109 CA ALA A 77 12.066 8.265 -0.998 1.00 0.00 C ATOM 1110 C ALA A 77 11.369 8.878 -2.208 1.00 0.00 C ATOM 1111 O ALA A 77 11.856 9.844 -2.794 1.00 0.00 O ATOM 1112 CB ALA A 77 12.929 7.087 -1.424 1.00 0.00 C ATOM 0 H ALA A 77 11.064 6.839 0.167 1.00 0.00 H new ATOM 0 HA ALA A 77 12.706 9.028 -0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.646 7.415 -2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.464 6.696 -0.558 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.296 6.305 -1.843 1.00 0.00 H new ATOM 1118 N ALA A 78 10.226 8.309 -2.577 1.00 0.00 N ATOM 1119 CA ALA A 78 9.461 8.801 -3.717 1.00 0.00 C ATOM 1120 C ALA A 78 9.198 10.298 -3.597 1.00 0.00 C ATOM 1121 O ALA A 78 9.335 10.876 -2.519 1.00 0.00 O ATOM 1122 CB ALA A 78 8.149 8.040 -3.839 1.00 0.00 C ATOM 0 H ALA A 78 9.809 7.507 -2.104 1.00 0.00 H new ATOM 0 HA ALA A 78 10.051 8.634 -4.619 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.588 8.417 -4.694 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.356 6.979 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.563 8.178 -2.931 1.00 0.00 H new ATOM 1128 N GLN A 79 8.820 10.919 -4.709 1.00 0.00 N ATOM 1129 CA GLN A 79 8.539 12.349 -4.728 1.00 0.00 C ATOM 1130 C GLN A 79 7.458 12.679 -5.752 1.00 0.00 C ATOM 1131 O GLN A 79 7.472 12.166 -6.870 1.00 0.00 O ATOM 1132 CB GLN A 79 9.812 13.137 -5.041 1.00 0.00 C ATOM 1133 CG GLN A 79 10.599 13.538 -3.804 1.00 0.00 C ATOM 1134 CD GLN A 79 10.038 14.776 -3.131 1.00 0.00 C ATOM 1135 OE1 GLN A 79 8.863 15.105 -3.293 1.00 0.00 O ATOM 1136 NE2 GLN A 79 10.877 15.469 -2.371 1.00 0.00 N ATOM 0 H GLN A 79 8.701 10.454 -5.609 1.00 0.00 H new ATOM 0 HA GLN A 79 8.177 12.635 -3.740 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.451 12.537 -5.689 1.00 0.00 H new ATOM 0 HB3 GLN A 79 9.546 14.035 -5.599 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.598 12.711 -3.094 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.637 13.719 -4.082 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.843 15.160 -2.265 1.00 0.00 H new ATOM 0 HE22 GLN A 79 10.556 16.311 -1.893 1.00 0.00 H new ATOM 1145 N GLY A 80 6.522 13.539 -5.362 1.00 0.00 N ATOM 1146 CA GLY A 80 5.447 13.922 -6.258 1.00 0.00 C ATOM 1147 C GLY A 80 4.246 13.002 -6.150 1.00 0.00 C ATOM 1148 O GLY A 80 3.129 13.455 -5.904 1.00 0.00 O ATOM 0 H GLY A 80 6.489 13.977 -4.441 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.139 14.944 -6.035 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.814 13.916 -7.284 1.00 0.00 H new ATOM 1152 N SER A 81 4.477 11.706 -6.334 1.00 0.00 N ATOM 1153 CA SER A 81 3.405 10.721 -6.261 1.00 0.00 C ATOM 1154 C SER A 81 3.971 9.306 -6.182 1.00 0.00 C ATOM 1155 O SER A 81 5.086 9.045 -6.635 1.00 0.00 O ATOM 1156 CB SER A 81 2.484 10.847 -7.477 1.00 0.00 C ATOM 1157 OG SER A 81 3.219 10.751 -8.685 1.00 0.00 O ATOM 0 H SER A 81 5.397 11.314 -6.535 1.00 0.00 H new ATOM 0 HA SER A 81 2.829 10.914 -5.356 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.726 10.064 -7.446 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.959 11.801 -7.442 1.00 0.00 H new ATOM 0 HG SER A 81 2.608 10.833 -9.447 1.00 0.00 H new ATOM 1163 N VAL A 82 3.194 8.396 -5.605 1.00 0.00 N ATOM 1164 CA VAL A 82 3.616 7.007 -5.466 1.00 0.00 C ATOM 1165 C VAL A 82 2.541 6.053 -5.976 1.00 0.00 C ATOM 1166 O VAL A 82 1.358 6.218 -5.680 1.00 0.00 O ATOM 1167 CB VAL A 82 3.940 6.662 -4.001 1.00 0.00 C ATOM 1168 CG1 VAL A 82 5.200 7.383 -3.548 1.00 0.00 C ATOM 1169 CG2 VAL A 82 2.764 7.009 -3.100 1.00 0.00 C ATOM 0 H VAL A 82 2.268 8.595 -5.226 1.00 0.00 H new ATOM 0 HA VAL A 82 4.518 6.889 -6.067 1.00 0.00 H new ATOM 0 HB VAL A 82 4.119 5.589 -3.930 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.413 7.127 -2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.038 7.080 -4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.054 8.460 -3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.010 6.759 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.551 8.075 -3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.887 6.442 -3.412 1.00 0.00 H new ATOM 1179 N LYS A 83 2.962 5.053 -6.744 1.00 0.00 N ATOM 1180 CA LYS A 83 2.037 4.070 -7.295 1.00 0.00 C ATOM 1181 C LYS A 83 2.095 2.767 -6.505 1.00 0.00 C ATOM 1182 O LYS A 83 3.071 2.020 -6.589 1.00 0.00 O ATOM 1183 CB LYS A 83 2.362 3.802 -8.766 1.00 0.00 C ATOM 1184 CG LYS A 83 1.939 4.925 -9.697 1.00 0.00 C ATOM 1185 CD LYS A 83 2.813 4.978 -10.939 1.00 0.00 C ATOM 1186 CE LYS A 83 2.486 3.845 -11.900 1.00 0.00 C ATOM 1187 NZ LYS A 83 3.616 3.562 -12.828 1.00 0.00 N ATOM 0 H LYS A 83 3.938 4.902 -6.999 1.00 0.00 H new ATOM 0 HA LYS A 83 1.028 4.475 -7.220 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.435 3.641 -8.869 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.870 2.880 -9.076 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.898 4.784 -9.989 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.996 5.877 -9.170 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.674 5.935 -11.442 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.862 4.919 -10.650 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.248 2.945 -11.333 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.598 4.103 -12.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.354 2.784 -13.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.827 4.413 -13.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.457 3.291 -12.279 1.00 0.00 H new ATOM 1201 N LEU A 84 1.044 2.498 -5.738 1.00 0.00 N ATOM 1202 CA LEU A 84 0.974 1.283 -4.934 1.00 0.00 C ATOM 1203 C LEU A 84 0.102 0.231 -5.611 1.00 0.00 C ATOM 1204 O LEU A 84 -1.118 0.379 -5.692 1.00 0.00 O ATOM 1205 CB LEU A 84 0.423 1.600 -3.542 1.00 0.00 C ATOM 1206 CG LEU A 84 1.190 2.652 -2.740 1.00 0.00 C ATOM 1207 CD1 LEU A 84 0.261 3.366 -1.771 1.00 0.00 C ATOM 1208 CD2 LEU A 84 2.352 2.012 -1.995 1.00 0.00 C ATOM 0 H LEU A 84 0.228 3.105 -5.656 1.00 0.00 H new ATOM 0 HA LEU A 84 1.983 0.883 -4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.609 1.935 -3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.400 0.677 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 84 1.592 3.389 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.824 4.111 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.537 3.858 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.171 2.642 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.887 2.775 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.972 1.253 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.031 1.548 -2.710 1.00 0.00 H new ATOM 1220 N VAL A 85 0.735 -0.834 -6.093 1.00 0.00 N ATOM 1221 CA VAL A 85 0.016 -1.913 -6.761 1.00 0.00 C ATOM 1222 C VAL A 85 -0.538 -2.911 -5.750 1.00 0.00 C ATOM 1223 O VAL A 85 0.123 -3.248 -4.768 1.00 0.00 O ATOM 1224 CB VAL A 85 0.923 -2.658 -7.758 1.00 0.00 C ATOM 1225 CG1 VAL A 85 0.170 -3.808 -8.409 1.00 0.00 C ATOM 1226 CG2 VAL A 85 1.460 -1.699 -8.809 1.00 0.00 C ATOM 0 H VAL A 85 1.744 -0.973 -6.033 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.810 -1.455 -7.305 1.00 0.00 H new ATOM 0 HB VAL A 85 1.770 -3.073 -7.211 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.827 -4.322 -9.110 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.160 -4.508 -7.641 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.697 -3.419 -8.943 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.099 -2.243 -9.505 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.628 -1.253 -9.353 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.039 -0.914 -8.323 1.00 0.00 H new ATOM 1236 N VAL A 86 -1.756 -3.382 -5.999 1.00 0.00 N ATOM 1237 CA VAL A 86 -2.399 -4.344 -5.112 1.00 0.00 C ATOM 1238 C VAL A 86 -3.300 -5.294 -5.892 1.00 0.00 C ATOM 1239 O VAL A 86 -3.586 -5.069 -7.068 1.00 0.00 O ATOM 1240 CB VAL A 86 -3.235 -3.636 -4.028 1.00 0.00 C ATOM 1241 CG1 VAL A 86 -2.342 -2.788 -3.135 1.00 0.00 C ATOM 1242 CG2 VAL A 86 -4.325 -2.788 -4.666 1.00 0.00 C ATOM 0 H VAL A 86 -2.317 -3.113 -6.807 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.603 -4.914 -4.633 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.713 -4.395 -3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.949 -2.296 -2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.602 -3.425 -2.651 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.834 -2.035 -3.738 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.906 -2.295 -3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.870 -2.035 -5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.981 -3.425 -5.259 1.00 0.00 H new ATOM 1252 N ARG A 87 -3.744 -6.357 -5.230 1.00 0.00 N ATOM 1253 CA ARG A 87 -4.612 -7.344 -5.862 1.00 0.00 C ATOM 1254 C ARG A 87 -6.071 -7.107 -5.482 1.00 0.00 C ATOM 1255 O ARG A 87 -6.410 -7.028 -4.301 1.00 0.00 O ATOM 1256 CB ARG A 87 -4.192 -8.758 -5.458 1.00 0.00 C ATOM 1257 CG ARG A 87 -3.138 -9.364 -6.370 1.00 0.00 C ATOM 1258 CD ARG A 87 -3.752 -9.895 -7.656 1.00 0.00 C ATOM 1259 NE ARG A 87 -2.748 -10.475 -8.544 1.00 0.00 N ATOM 1260 CZ ARG A 87 -2.121 -11.619 -8.295 1.00 0.00 C ATOM 1261 NH1 ARG A 87 -2.393 -12.302 -7.192 1.00 0.00 N ATOM 1262 NH2 ARG A 87 -1.219 -12.082 -9.151 1.00 0.00 N ATOM 0 H ARG A 87 -3.517 -6.557 -4.256 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.514 -7.238 -6.942 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.809 -8.737 -4.438 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.071 -9.402 -5.455 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.386 -8.612 -6.608 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.626 -10.173 -5.849 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.502 -10.649 -7.415 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.268 -9.086 -8.172 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.516 -9.974 -9.402 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.086 -11.949 -6.532 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.910 -13.180 -7.004 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.007 -11.559 -10.001 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.738 -12.961 -8.959 1.00 0.00 H new ATOM 1276 N SER A 88 -6.929 -6.994 -6.491 1.00 0.00 N ATOM 1277 CA SER A 88 -8.351 -6.762 -6.263 1.00 0.00 C ATOM 1278 C SER A 88 -9.192 -7.848 -6.927 1.00 0.00 C ATOM 1279 O SER A 88 -8.758 -8.485 -7.885 1.00 0.00 O ATOM 1280 CB SER A 88 -8.757 -5.387 -6.798 1.00 0.00 C ATOM 1281 OG SER A 88 -8.735 -5.365 -8.214 1.00 0.00 O ATOM 0 H SER A 88 -6.665 -7.059 -7.474 1.00 0.00 H new ATOM 0 HA SER A 88 -8.532 -6.794 -5.189 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.756 -5.135 -6.443 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.079 -4.627 -6.409 1.00 0.00 H new ATOM 0 HG SER A 88 -9.000 -4.476 -8.532 1.00 0.00 H new ATOM 1287 N GLY A 89 -10.399 -8.052 -6.409 1.00 0.00 N ATOM 1288 CA GLY A 89 -11.283 -9.061 -6.963 1.00 0.00 C ATOM 1289 C GLY A 89 -11.539 -8.857 -8.443 1.00 0.00 C ATOM 1290 O GLY A 89 -10.958 -7.979 -9.080 1.00 0.00 O ATOM 0 H GLY A 89 -10.781 -7.537 -5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.847 -10.048 -6.805 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -12.232 -9.042 -6.427 1.00 0.00 H new ATOM 1294 N PRO A 90 -12.428 -9.685 -9.013 1.00 0.00 N ATOM 1295 CA PRO A 90 -12.779 -9.612 -10.434 1.00 0.00 C ATOM 1296 C PRO A 90 -13.583 -8.360 -10.769 1.00 0.00 C ATOM 1297 O PRO A 90 -13.250 -7.628 -11.701 1.00 0.00 O ATOM 1298 CB PRO A 90 -13.628 -10.866 -10.655 1.00 0.00 C ATOM 1299 CG PRO A 90 -14.198 -11.179 -9.314 1.00 0.00 C ATOM 1300 CD PRO A 90 -13.159 -10.755 -8.313 1.00 0.00 C ATOM 0 HA PRO A 90 -11.895 -9.561 -11.070 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -14.415 -10.687 -11.388 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.024 -11.692 -11.031 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -15.135 -10.645 -9.154 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.417 -12.243 -9.222 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -13.614 -10.394 -7.390 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.501 -11.581 -8.042 1.00 0.00 H new ATOM 1308 N SER A 91 -14.642 -8.119 -10.003 1.00 0.00 N ATOM 1309 CA SER A 91 -15.495 -6.957 -10.221 1.00 0.00 C ATOM 1310 C SER A 91 -16.018 -6.410 -8.896 1.00 0.00 C ATOM 1311 O SER A 91 -15.928 -7.070 -7.861 1.00 0.00 O ATOM 1312 CB SER A 91 -16.667 -7.322 -11.134 1.00 0.00 C ATOM 1313 OG SER A 91 -16.218 -7.637 -12.440 1.00 0.00 O ATOM 0 H SER A 91 -14.930 -8.713 -9.226 1.00 0.00 H new ATOM 0 HA SER A 91 -14.897 -6.183 -10.702 1.00 0.00 H new ATOM 0 HB2 SER A 91 -17.206 -8.173 -10.717 1.00 0.00 H new ATOM 0 HB3 SER A 91 -17.370 -6.490 -11.179 1.00 0.00 H new ATOM 0 HG SER A 91 -16.986 -7.868 -13.003 1.00 0.00 H new ATOM 1319 N SER A 92 -16.565 -5.199 -8.937 1.00 0.00 N ATOM 1320 CA SER A 92 -17.099 -4.561 -7.740 1.00 0.00 C ATOM 1321 C SER A 92 -18.560 -4.945 -7.526 1.00 0.00 C ATOM 1322 O SER A 92 -19.444 -4.501 -8.258 1.00 0.00 O ATOM 1323 CB SER A 92 -16.970 -3.040 -7.846 1.00 0.00 C ATOM 1324 OG SER A 92 -17.495 -2.402 -6.695 1.00 0.00 O ATOM 0 H SER A 92 -16.650 -4.640 -9.786 1.00 0.00 H new ATOM 0 HA SER A 92 -16.521 -4.909 -6.884 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.922 -2.769 -7.970 1.00 0.00 H new ATOM 0 HB3 SER A 92 -17.497 -2.688 -8.733 1.00 0.00 H new ATOM 0 HG SER A 92 -17.399 -1.431 -6.787 1.00 0.00 H new ATOM 1330 N GLY A 93 -18.806 -5.774 -6.516 1.00 0.00 N ATOM 1331 CA GLY A 93 -20.161 -6.205 -6.223 1.00 0.00 C ATOM 1332 C GLY A 93 -21.093 -5.041 -5.952 1.00 0.00 C ATOM 1333 O GLY A 93 -21.290 -4.648 -4.802 1.00 0.00 O ATOM 0 H GLY A 93 -18.092 -6.155 -5.896 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -20.544 -6.785 -7.062 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -20.149 -6.867 -5.357 1.00 0.00 H new TER 1337 GLY A 93