USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 824 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 98 ASN : amide:sc= 1.36 K(o=1.8,f=-2.4) USER MOD Set 1.2: A 99 THR OG1 : rot 38:sc= 0.414 USER MOD Set 2.1: A 94 ASN : amide:sc= 1.2 K(o=0.86,f=-3) USER MOD Set 2.2: A 97 ASN : amide:sc= -0.344! C(o=0.86!,f=-5.5!) USER MOD Set 3.1: A 74 THR OG1 : rot 180:sc= 1.09 USER MOD Set 3.2: A 78 TYR OH : rot -153:sc= 1.22 USER MOD Set 4.1: A 41 SER OG : rot 180:sc= 0.431 USER MOD Set 4.2: A 51 THR OG1 : rot -90:sc= 1.02 USER MOD Set 5.1: A 1 MET CE :methyl -160:sc= -0.287 (180deg=-1.01) USER MOD Set 5.2: A 32 ASN : amide:sc= 0.406 K(o=0.12,f=-0.56) USER MOD Set 6.1: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 64 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.028) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0373 (180deg=-0.314) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.328 USER MOD Single : A 18 ASN : amide:sc= -0.777 K(o=-0.78,f=-5.6!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 21 ASN : amide:sc= -2.99! C(o=-3!,f=-3.7!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -116:sc= -2.25 (180deg=-5.47!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0245 K(o=-0.024,f=-5.7!) USER MOD Single : A 30 GLN : amide:sc= 1.21 K(o=1.2,f=-0.64) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -140:sc= -0.835 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0375 USER MOD Single : A 37 SER OG : rot -18:sc= 1.25 USER MOD Single : A 39 ASN : amide:sc= 0.358 K(o=0.36,f=-1.2) USER MOD Single : A 52 GLN : amide:sc= -0.303 K(o=-0.3,f=-1.2) USER MOD Single : A 53 THR OG1 : rot 24:sc= 0.0577 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.039 USER MOD Single : A 56 SER OG : rot 17:sc= 1.23 USER MOD Single : A 59 SER OG : rot -67:sc= 0.471 USER MOD Single : A 61 ASN : amide:sc= 0.118 K(o=0.12,f=-2.6) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 160:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 1.12 K(o=1.1,f=-5.2!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 140:sc= 1.21 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -2.28! K(o=-2.3!,f=-0.09) USER MOD Single : A 88 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 91 ASN : amide:sc= -1.46! K(o=-1.5!,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 27:sc= 0.0415 USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.71) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HE2:sc= 0.797 K(o=0.8,f=-5.3!) USER MOD Single : A 113 HIS : no HD1:sc= -0.0895 X(o=-0.089,f=-0.017) USER MOD Single : A 114 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.015 13.553 -9.178 1.00 0.00 N ATOM 2 CA MET A 1 -13.710 13.950 -8.605 1.00 0.00 C ATOM 3 C MET A 1 -13.483 13.208 -7.297 1.00 0.00 C ATOM 4 O MET A 1 -13.923 13.651 -6.233 1.00 0.00 O ATOM 5 CB MET A 1 -13.664 15.464 -8.358 1.00 0.00 C ATOM 6 CG MET A 1 -13.751 16.304 -9.624 1.00 0.00 C ATOM 7 SD MET A 1 -12.220 16.306 -10.579 1.00 0.00 S ATOM 8 CE MET A 1 -11.137 17.211 -9.474 1.00 0.00 C ATOM 0 H1 MET A 1 -15.049 13.821 -10.182 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.134 12.524 -9.090 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.781 14.035 -8.665 1.00 0.00 H new ATOM 0 HA MET A 1 -12.923 13.692 -9.314 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.485 15.738 -7.696 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.739 15.708 -7.836 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.561 15.927 -10.248 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.006 17.329 -9.356 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.290 17.605 -10.036 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.687 18.036 -9.021 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.775 16.543 -8.692 1.00 0.00 H new ATOM 20 N ILE A 2 -12.819 12.067 -7.379 1.00 0.00 N ATOM 21 CA ILE A 2 -12.603 11.233 -6.211 1.00 0.00 C ATOM 22 C ILE A 2 -11.224 10.576 -6.276 1.00 0.00 C ATOM 23 O ILE A 2 -10.770 10.179 -7.353 1.00 0.00 O ATOM 24 CB ILE A 2 -13.718 10.156 -6.092 1.00 0.00 C ATOM 25 CG1 ILE A 2 -13.720 9.524 -4.701 1.00 0.00 C ATOM 26 CG2 ILE A 2 -13.557 9.073 -7.156 1.00 0.00 C ATOM 27 CD1 ILE A 2 -14.899 8.606 -4.459 1.00 0.00 C ATOM 0 H ILE A 2 -12.421 11.698 -8.243 1.00 0.00 H new ATOM 0 HA ILE A 2 -12.644 11.864 -5.323 1.00 0.00 H new ATOM 0 HB ILE A 2 -14.673 10.656 -6.251 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -12.797 8.961 -4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -13.725 10.315 -3.951 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -14.351 8.335 -7.047 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -13.615 9.524 -8.146 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -12.590 8.586 -7.036 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -14.837 8.192 -3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -15.826 9.169 -4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -14.884 7.795 -5.187 1.00 0.00 H new ATOM 39 N PRO A 3 -10.511 10.504 -5.142 1.00 0.00 N ATOM 40 CA PRO A 3 -9.231 9.811 -5.073 1.00 0.00 C ATOM 41 C PRO A 3 -9.412 8.305 -5.197 1.00 0.00 C ATOM 42 O PRO A 3 -10.053 7.674 -4.361 1.00 0.00 O ATOM 43 CB PRO A 3 -8.681 10.169 -3.683 1.00 0.00 C ATOM 44 CG PRO A 3 -9.555 11.265 -3.170 1.00 0.00 C ATOM 45 CD PRO A 3 -10.879 11.098 -3.853 1.00 0.00 C ATOM 0 HA PRO A 3 -8.563 10.105 -5.883 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.706 9.305 -3.018 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.642 10.494 -3.745 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.665 11.201 -2.087 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.124 12.242 -3.390 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.547 10.450 -3.286 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.391 12.052 -3.979 1.00 0.00 H new ATOM 53 N ASP A 4 -8.855 7.733 -6.246 1.00 0.00 N ATOM 54 CA ASP A 4 -8.932 6.298 -6.459 1.00 0.00 C ATOM 55 C ASP A 4 -7.597 5.677 -6.083 1.00 0.00 C ATOM 56 O ASP A 4 -6.746 5.423 -6.934 1.00 0.00 O ATOM 57 CB ASP A 4 -9.299 5.989 -7.913 1.00 0.00 C ATOM 58 CG ASP A 4 -9.711 4.546 -8.130 1.00 0.00 C ATOM 59 OD1 ASP A 4 -10.765 4.135 -7.596 1.00 0.00 O ATOM 60 OD2 ASP A 4 -9.006 3.822 -8.863 1.00 0.00 O ATOM 0 H ASP A 4 -8.342 8.240 -6.967 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.714 5.871 -5.831 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.114 6.643 -8.222 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.446 6.217 -8.553 1.00 0.00 H new ATOM 65 N LEU A 5 -7.407 5.492 -4.787 1.00 0.00 N ATOM 66 CA LEU A 5 -6.136 5.038 -4.246 1.00 0.00 C ATOM 67 C LEU A 5 -5.917 3.564 -4.548 1.00 0.00 C ATOM 68 O LEU A 5 -6.512 2.699 -3.913 1.00 0.00 O ATOM 69 CB LEU A 5 -6.107 5.283 -2.737 1.00 0.00 C ATOM 70 CG LEU A 5 -6.403 6.725 -2.314 1.00 0.00 C ATOM 71 CD1 LEU A 5 -6.459 6.844 -0.799 1.00 0.00 C ATOM 72 CD2 LEU A 5 -5.356 7.670 -2.878 1.00 0.00 C ATOM 0 H LEU A 5 -8.127 5.652 -4.082 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.330 5.601 -4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.834 4.624 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.125 5.002 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.377 7.003 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.670 7.877 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.246 6.197 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.501 6.544 -0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.582 8.690 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.372 7.387 -2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.362 7.612 -3.966 1.00 0.00 H new ATOM 84 N VAL A 6 -5.068 3.284 -5.525 1.00 0.00 N ATOM 85 CA VAL A 6 -4.835 1.916 -5.954 1.00 0.00 C ATOM 86 C VAL A 6 -3.411 1.473 -5.656 1.00 0.00 C ATOM 87 O VAL A 6 -2.456 1.989 -6.238 1.00 0.00 O ATOM 88 CB VAL A 6 -5.093 1.741 -7.466 1.00 0.00 C ATOM 89 CG1 VAL A 6 -4.919 0.286 -7.879 1.00 0.00 C ATOM 90 CG2 VAL A 6 -6.476 2.239 -7.838 1.00 0.00 C ATOM 0 H VAL A 6 -4.530 3.985 -6.034 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.535 1.298 -5.392 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.359 2.339 -8.005 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.106 0.186 -8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.902 -0.036 -7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.625 -0.336 -7.328 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.635 2.106 -8.908 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.227 1.674 -7.286 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.562 3.296 -7.588 1.00 0.00 H new ATOM 100 N PRO A 7 -3.243 0.540 -4.715 1.00 0.00 N ATOM 101 CA PRO A 7 -1.975 -0.153 -4.531 1.00 0.00 C ATOM 102 C PRO A 7 -1.646 -0.980 -5.771 1.00 0.00 C ATOM 103 O PRO A 7 -2.283 -1.999 -6.041 1.00 0.00 O ATOM 104 CB PRO A 7 -2.210 -1.049 -3.312 1.00 0.00 C ATOM 105 CG PRO A 7 -3.692 -1.152 -3.175 1.00 0.00 C ATOM 106 CD PRO A 7 -4.262 0.112 -3.748 1.00 0.00 C ATOM 0 HA PRO A 7 -1.134 0.524 -4.383 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.759 -2.031 -3.454 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.762 -0.619 -2.416 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.071 -2.025 -3.707 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.978 -1.267 -2.129 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.224 -0.064 -4.230 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.425 0.865 -2.977 1.00 0.00 H new ATOM 114 N VAL A 8 -0.670 -0.517 -6.533 1.00 0.00 N ATOM 115 CA VAL A 8 -0.384 -1.083 -7.843 1.00 0.00 C ATOM 116 C VAL A 8 0.478 -2.329 -7.725 1.00 0.00 C ATOM 117 O VAL A 8 0.110 -3.402 -8.205 1.00 0.00 O ATOM 118 CB VAL A 8 0.334 -0.061 -8.747 1.00 0.00 C ATOM 119 CG1 VAL A 8 0.288 -0.491 -10.203 1.00 0.00 C ATOM 120 CG2 VAL A 8 -0.270 1.321 -8.579 1.00 0.00 C ATOM 0 H VAL A 8 -0.058 0.254 -6.266 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.342 -1.348 -8.291 1.00 0.00 H new ATOM 0 HB VAL A 8 1.379 -0.020 -8.441 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.802 0.248 -10.817 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.779 -1.458 -10.312 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.750 -0.572 -10.526 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.251 2.027 -9.226 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.325 1.292 -8.850 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.170 1.638 -7.541 1.00 0.00 H new ATOM 130 N SER A 9 1.621 -2.187 -7.078 1.00 0.00 N ATOM 131 CA SER A 9 2.551 -3.290 -6.950 1.00 0.00 C ATOM 132 C SER A 9 3.200 -3.305 -5.574 1.00 0.00 C ATOM 133 O SER A 9 3.241 -2.286 -4.878 1.00 0.00 O ATOM 134 CB SER A 9 3.622 -3.197 -8.036 1.00 0.00 C ATOM 135 OG SER A 9 4.282 -1.944 -7.991 1.00 0.00 O ATOM 0 H SER A 9 1.925 -1.320 -6.635 1.00 0.00 H new ATOM 0 HA SER A 9 1.995 -4.220 -7.071 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.348 -4.000 -7.906 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.165 -3.337 -9.016 1.00 0.00 H new ATOM 0 HG SER A 9 4.964 -1.908 -8.694 1.00 0.00 H new ATOM 141 N LEU A 10 3.696 -4.470 -5.196 1.00 0.00 N ATOM 142 CA LEU A 10 4.390 -4.652 -3.936 1.00 0.00 C ATOM 143 C LEU A 10 5.710 -5.366 -4.195 1.00 0.00 C ATOM 144 O LEU A 10 5.732 -6.564 -4.472 1.00 0.00 O ATOM 145 CB LEU A 10 3.511 -5.458 -2.974 1.00 0.00 C ATOM 146 CG LEU A 10 4.175 -5.894 -1.668 1.00 0.00 C ATOM 147 CD1 LEU A 10 4.573 -4.693 -0.824 1.00 0.00 C ATOM 148 CD2 LEU A 10 3.244 -6.804 -0.889 1.00 0.00 C ATOM 0 H LEU A 10 3.628 -5.319 -5.757 1.00 0.00 H new ATOM 0 HA LEU A 10 4.596 -3.685 -3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.632 -4.862 -2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.158 -6.348 -3.494 1.00 0.00 H new ATOM 0 HG LEU A 10 5.084 -6.443 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.042 -5.036 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.276 -4.074 -1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.686 -4.107 -0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.726 -7.109 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.321 -6.271 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.015 -7.687 -1.486 1.00 0.00 H new ATOM 160 N THR A 11 6.801 -4.621 -4.147 1.00 0.00 N ATOM 161 CA THR A 11 8.105 -5.173 -4.467 1.00 0.00 C ATOM 162 C THR A 11 9.021 -5.171 -3.245 1.00 0.00 C ATOM 163 O THR A 11 8.935 -4.280 -2.400 1.00 0.00 O ATOM 164 CB THR A 11 8.765 -4.392 -5.623 1.00 0.00 C ATOM 165 OG1 THR A 11 8.705 -2.979 -5.366 1.00 0.00 O ATOM 166 CG2 THR A 11 8.077 -4.700 -6.945 1.00 0.00 C ATOM 0 H THR A 11 6.809 -3.634 -3.890 1.00 0.00 H new ATOM 0 HA THR A 11 7.955 -6.205 -4.783 1.00 0.00 H new ATOM 0 HB THR A 11 9.808 -4.703 -5.690 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.128 -2.494 -6.105 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.559 -4.139 -7.745 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.152 -5.767 -7.154 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.027 -4.415 -6.884 1.00 0.00 H new ATOM 174 N PRO A 12 9.901 -6.176 -3.122 1.00 0.00 N ATOM 175 CA PRO A 12 10.008 -7.272 -4.090 1.00 0.00 C ATOM 176 C PRO A 12 8.921 -8.328 -3.902 1.00 0.00 C ATOM 177 O PRO A 12 8.412 -8.521 -2.799 1.00 0.00 O ATOM 178 CB PRO A 12 11.383 -7.861 -3.787 1.00 0.00 C ATOM 179 CG PRO A 12 11.583 -7.610 -2.332 1.00 0.00 C ATOM 180 CD PRO A 12 10.874 -6.318 -2.023 1.00 0.00 C ATOM 0 HA PRO A 12 9.887 -6.927 -5.117 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.417 -8.926 -4.015 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.160 -7.382 -4.383 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.177 -8.428 -1.737 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.644 -7.538 -2.092 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.378 -6.356 -1.053 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.568 -5.478 -1.993 1.00 0.00 H new ATOM 188 N VAL A 13 8.575 -9.012 -4.984 1.00 0.00 N ATOM 189 CA VAL A 13 7.532 -10.032 -4.944 1.00 0.00 C ATOM 190 C VAL A 13 8.021 -11.295 -4.237 1.00 0.00 C ATOM 191 O VAL A 13 7.225 -12.117 -3.783 1.00 0.00 O ATOM 192 CB VAL A 13 7.032 -10.390 -6.362 1.00 0.00 C ATOM 193 CG1 VAL A 13 6.369 -9.186 -7.013 1.00 0.00 C ATOM 194 CG2 VAL A 13 8.172 -10.903 -7.232 1.00 0.00 C ATOM 0 H VAL A 13 9.001 -8.880 -5.902 1.00 0.00 H new ATOM 0 HA VAL A 13 6.700 -9.611 -4.380 1.00 0.00 H new ATOM 0 HB VAL A 13 6.294 -11.187 -6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.023 -9.456 -8.011 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.520 -8.867 -6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.088 -8.370 -7.087 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.791 -11.147 -8.224 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.939 -10.134 -7.317 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.602 -11.796 -6.779 1.00 0.00 H new ATOM 204 N THR A 14 9.333 -11.439 -4.153 1.00 0.00 N ATOM 205 CA THR A 14 9.946 -12.556 -3.458 1.00 0.00 C ATOM 206 C THR A 14 10.939 -12.007 -2.426 1.00 0.00 C ATOM 207 O THR A 14 11.795 -11.188 -2.763 1.00 0.00 O ATOM 208 CB THR A 14 10.663 -13.485 -4.458 1.00 0.00 C ATOM 209 OG1 THR A 14 10.032 -13.397 -5.744 1.00 0.00 O ATOM 210 CG2 THR A 14 10.627 -14.931 -3.994 1.00 0.00 C ATOM 0 H THR A 14 10.001 -10.786 -4.564 1.00 0.00 H new ATOM 0 HA THR A 14 9.178 -13.141 -2.952 1.00 0.00 H new ATOM 0 HB THR A 14 11.702 -13.163 -4.523 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.493 -13.988 -6.376 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.141 -15.559 -4.721 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.123 -15.015 -3.027 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.591 -15.257 -3.900 1.00 0.00 H new ATOM 218 N VAL A 15 10.828 -12.446 -1.177 1.00 0.00 N ATOM 219 CA VAL A 15 11.533 -11.797 -0.075 1.00 0.00 C ATOM 220 C VAL A 15 12.595 -12.695 0.552 1.00 0.00 C ATOM 221 O VAL A 15 12.393 -13.898 0.716 1.00 0.00 O ATOM 222 CB VAL A 15 10.543 -11.342 1.021 1.00 0.00 C ATOM 223 CG1 VAL A 15 9.663 -10.213 0.510 1.00 0.00 C ATOM 224 CG2 VAL A 15 9.687 -12.506 1.502 1.00 0.00 C ATOM 0 H VAL A 15 10.259 -13.246 -0.902 1.00 0.00 H new ATOM 0 HA VAL A 15 12.035 -10.930 -0.504 1.00 0.00 H new ATOM 0 HB VAL A 15 11.124 -10.975 1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.972 -9.906 1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.287 -9.366 0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.098 -10.556 -0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.999 -12.158 2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.119 -12.910 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.329 -13.284 1.914 1.00 0.00 H new ATOM 234 N VAL A 16 13.735 -12.104 0.893 1.00 0.00 N ATOM 235 CA VAL A 16 14.802 -12.822 1.560 1.00 0.00 C ATOM 236 C VAL A 16 14.572 -12.871 3.070 1.00 0.00 C ATOM 237 O VAL A 16 14.457 -11.835 3.723 1.00 0.00 O ATOM 238 CB VAL A 16 16.176 -12.181 1.271 1.00 0.00 C ATOM 239 CG1 VAL A 16 16.629 -12.498 -0.142 1.00 0.00 C ATOM 240 CG2 VAL A 16 16.140 -10.672 1.487 1.00 0.00 C ATOM 0 H VAL A 16 13.940 -11.121 0.714 1.00 0.00 H new ATOM 0 HA VAL A 16 14.798 -13.838 1.166 1.00 0.00 H new ATOM 0 HB VAL A 16 16.893 -12.607 1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 16 17.599 -12.037 -0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 16 16.712 -13.578 -0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 16 15.902 -12.107 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.123 -10.251 1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 16 15.403 -10.226 0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 16 15.869 -10.459 2.521 1.00 0.00 H new ATOM 250 N PRO A 17 14.487 -14.079 3.646 1.00 0.00 N ATOM 251 CA PRO A 17 14.339 -14.265 5.090 1.00 0.00 C ATOM 252 C PRO A 17 15.666 -14.075 5.822 1.00 0.00 C ATOM 253 O PRO A 17 16.123 -14.959 6.548 1.00 0.00 O ATOM 254 CB PRO A 17 13.855 -15.720 5.228 1.00 0.00 C ATOM 255 CG PRO A 17 13.663 -16.230 3.834 1.00 0.00 C ATOM 256 CD PRO A 17 14.505 -15.363 2.944 1.00 0.00 C ATOM 0 HA PRO A 17 13.653 -13.539 5.527 1.00 0.00 H new ATOM 0 HB2 PRO A 17 14.586 -16.324 5.766 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.924 -15.769 5.792 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.966 -17.274 3.758 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.614 -16.181 3.544 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.517 -15.753 2.837 1.00 0.00 H new ATOM 0 HD3 PRO A 17 14.086 -15.283 1.941 1.00 0.00 H new ATOM 264 N ASN A 18 16.284 -12.918 5.622 1.00 0.00 N ATOM 265 CA ASN A 18 17.590 -12.641 6.207 1.00 0.00 C ATOM 266 C ASN A 18 17.574 -11.389 7.074 1.00 0.00 C ATOM 267 O ASN A 18 18.463 -11.195 7.902 1.00 0.00 O ATOM 268 CB ASN A 18 18.649 -12.473 5.109 1.00 0.00 C ATOM 269 CG ASN A 18 19.061 -13.781 4.451 1.00 0.00 C ATOM 270 OD1 ASN A 18 19.337 -13.820 3.249 1.00 0.00 O ATOM 271 ND2 ASN A 18 19.147 -14.850 5.230 1.00 0.00 N ATOM 0 H ASN A 18 15.903 -12.157 5.060 1.00 0.00 H new ATOM 0 HA ASN A 18 17.839 -13.495 6.837 1.00 0.00 H new ATOM 0 HB2 ASN A 18 18.263 -11.798 4.345 1.00 0.00 H new ATOM 0 HB3 ASN A 18 19.532 -11.998 5.538 1.00 0.00 H new ATOM 0 HD21 ASN A 18 19.450 -15.742 4.840 1.00 0.00 H new ATOM 0 HD22 ASN A 18 18.911 -14.780 6.220 1.00 0.00 H new ATOM 278 N THR A 19 16.571 -10.542 6.900 1.00 0.00 N ATOM 279 CA THR A 19 16.576 -9.241 7.549 1.00 0.00 C ATOM 280 C THR A 19 15.154 -8.689 7.679 1.00 0.00 C ATOM 281 O THR A 19 14.180 -9.392 7.397 1.00 0.00 O ATOM 282 CB THR A 19 17.465 -8.259 6.739 1.00 0.00 C ATOM 283 OG1 THR A 19 17.662 -7.031 7.458 1.00 0.00 O ATOM 284 CG2 THR A 19 16.855 -7.966 5.370 1.00 0.00 C ATOM 0 H THR A 19 15.752 -10.729 6.322 1.00 0.00 H new ATOM 0 HA THR A 19 16.985 -9.353 8.553 1.00 0.00 H new ATOM 0 HB THR A 19 18.433 -8.739 6.593 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.226 -6.429 6.929 1.00 0.00 H new ATOM 0 HG21 THR A 19 17.499 -7.276 4.825 1.00 0.00 H new ATOM 0 HG22 THR A 19 16.760 -8.895 4.807 1.00 0.00 H new ATOM 0 HG23 THR A 19 15.870 -7.518 5.499 1.00 0.00 H new ATOM 292 N VAL A 20 15.043 -7.449 8.145 1.00 0.00 N ATOM 293 CA VAL A 20 13.780 -6.735 8.112 1.00 0.00 C ATOM 294 C VAL A 20 13.611 -6.141 6.726 1.00 0.00 C ATOM 295 O VAL A 20 14.324 -5.210 6.340 1.00 0.00 O ATOM 296 CB VAL A 20 13.706 -5.613 9.168 1.00 0.00 C ATOM 297 CG1 VAL A 20 12.335 -4.949 9.148 1.00 0.00 C ATOM 298 CG2 VAL A 20 14.013 -6.157 10.552 1.00 0.00 C ATOM 0 H VAL A 20 15.816 -6.921 8.550 1.00 0.00 H new ATOM 0 HA VAL A 20 12.981 -7.439 8.344 1.00 0.00 H new ATOM 0 HB VAL A 20 14.457 -4.862 8.921 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.302 -4.160 9.900 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.153 -4.519 8.163 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.568 -5.692 9.367 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.955 -5.349 11.282 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.288 -6.930 10.808 1.00 0.00 H new ATOM 0 HG23 VAL A 20 15.016 -6.583 10.561 1.00 0.00 H new ATOM 308 N ASN A 21 12.675 -6.683 5.978 1.00 0.00 N ATOM 309 CA ASN A 21 12.553 -6.364 4.572 1.00 0.00 C ATOM 310 C ASN A 21 11.749 -5.099 4.379 1.00 0.00 C ATOM 311 O ASN A 21 10.538 -5.070 4.602 1.00 0.00 O ATOM 312 CB ASN A 21 11.914 -7.528 3.810 1.00 0.00 C ATOM 313 CG ASN A 21 12.822 -8.744 3.741 1.00 0.00 C ATOM 314 OD1 ASN A 21 13.673 -8.952 4.600 1.00 0.00 O ATOM 315 ND2 ASN A 21 12.644 -9.563 2.723 1.00 0.00 N ATOM 0 H ASN A 21 11.984 -7.350 6.322 1.00 0.00 H new ATOM 0 HA ASN A 21 13.553 -6.198 4.172 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.977 -7.805 4.294 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.667 -7.205 2.799 1.00 0.00 H new ATOM 0 HD21 ASN A 21 13.223 -10.398 2.633 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.928 -9.361 2.026 1.00 0.00 H new ATOM 322 N THR A 22 12.444 -4.042 3.993 1.00 0.00 N ATOM 323 CA THR A 22 11.800 -2.783 3.693 1.00 0.00 C ATOM 324 C THR A 22 11.194 -2.846 2.297 1.00 0.00 C ATOM 325 O THR A 22 11.813 -2.447 1.311 1.00 0.00 O ATOM 326 CB THR A 22 12.800 -1.614 3.785 1.00 0.00 C ATOM 327 OG1 THR A 22 13.555 -1.726 4.999 1.00 0.00 O ATOM 328 CG2 THR A 22 12.080 -0.277 3.760 1.00 0.00 C ATOM 0 H THR A 22 13.458 -4.035 3.881 1.00 0.00 H new ATOM 0 HA THR A 22 11.013 -2.609 4.427 1.00 0.00 H new ATOM 0 HB THR A 22 13.467 -1.663 2.924 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.192 -0.984 5.057 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.809 0.530 3.826 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.519 -0.183 2.830 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.395 -0.217 4.605 1.00 0.00 H new ATOM 336 N MET A 23 9.999 -3.407 2.222 1.00 0.00 N ATOM 337 CA MET A 23 9.327 -3.602 0.952 1.00 0.00 C ATOM 338 C MET A 23 8.686 -2.310 0.490 1.00 0.00 C ATOM 339 O MET A 23 8.325 -1.464 1.303 1.00 0.00 O ATOM 340 CB MET A 23 8.278 -4.706 1.065 1.00 0.00 C ATOM 341 CG MET A 23 8.864 -6.056 1.440 1.00 0.00 C ATOM 342 SD MET A 23 7.627 -7.363 1.471 1.00 0.00 S ATOM 343 CE MET A 23 7.088 -7.353 -0.236 1.00 0.00 C ATOM 0 H MET A 23 9.473 -3.737 3.032 1.00 0.00 H new ATOM 0 HA MET A 23 10.068 -3.905 0.213 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.538 -4.419 1.812 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.753 -4.797 0.114 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.647 -6.318 0.728 1.00 0.00 H new ATOM 0 HG3 MET A 23 9.335 -5.984 2.420 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.038 -7.063 -0.284 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.688 -6.641 -0.803 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.210 -8.349 -0.662 1.00 0.00 H new ATOM 353 N THR A 24 8.551 -2.161 -0.811 1.00 0.00 N ATOM 354 CA THR A 24 8.038 -0.937 -1.383 1.00 0.00 C ATOM 355 C THR A 24 6.692 -1.171 -2.062 1.00 0.00 C ATOM 356 O THR A 24 6.609 -1.840 -3.096 1.00 0.00 O ATOM 357 CB THR A 24 9.039 -0.356 -2.397 1.00 0.00 C ATOM 358 OG1 THR A 24 10.328 -0.231 -1.781 1.00 0.00 O ATOM 359 CG2 THR A 24 8.581 1.004 -2.901 1.00 0.00 C ATOM 0 H THR A 24 8.792 -2.878 -1.495 1.00 0.00 H new ATOM 0 HA THR A 24 7.897 -0.223 -0.571 1.00 0.00 H new ATOM 0 HB THR A 24 9.098 -1.035 -3.248 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.965 0.137 -2.428 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.307 1.391 -3.616 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.611 0.904 -3.388 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.496 1.694 -2.061 1.00 0.00 H new ATOM 367 N ALA A 25 5.640 -0.644 -1.456 1.00 0.00 N ATOM 368 CA ALA A 25 4.323 -0.670 -2.057 1.00 0.00 C ATOM 369 C ALA A 25 4.105 0.601 -2.858 1.00 0.00 C ATOM 370 O ALA A 25 4.170 1.708 -2.321 1.00 0.00 O ATOM 371 CB ALA A 25 3.249 -0.819 -0.992 1.00 0.00 C ATOM 0 H ALA A 25 5.677 -0.191 -0.543 1.00 0.00 H new ATOM 0 HA ALA A 25 4.256 -1.529 -2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.267 -0.836 -1.465 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.405 -1.749 -0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.304 0.022 -0.300 1.00 0.00 H new ATOM 377 N THR A 26 3.868 0.444 -4.140 1.00 0.00 N ATOM 378 CA THR A 26 3.652 1.577 -5.009 1.00 0.00 C ATOM 379 C THR A 26 2.165 1.875 -5.105 1.00 0.00 C ATOM 380 O THR A 26 1.419 1.177 -5.793 1.00 0.00 O ATOM 381 CB THR A 26 4.242 1.327 -6.411 1.00 0.00 C ATOM 382 OG1 THR A 26 5.635 1.010 -6.295 1.00 0.00 O ATOM 383 CG2 THR A 26 4.073 2.549 -7.303 1.00 0.00 C ATOM 0 H THR A 26 3.820 -0.462 -4.606 1.00 0.00 H new ATOM 0 HA THR A 26 4.165 2.439 -4.583 1.00 0.00 H new ATOM 0 HB THR A 26 3.706 0.493 -6.864 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.009 0.850 -7.186 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.498 2.344 -8.285 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.013 2.779 -7.407 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.587 3.400 -6.856 1.00 0.00 H new ATOM 391 N ILE A 27 1.734 2.884 -4.369 1.00 0.00 N ATOM 392 CA ILE A 27 0.339 3.273 -4.362 1.00 0.00 C ATOM 393 C ILE A 27 0.128 4.397 -5.360 1.00 0.00 C ATOM 394 O ILE A 27 0.734 5.461 -5.237 1.00 0.00 O ATOM 395 CB ILE A 27 -0.120 3.748 -2.964 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.411 2.821 -1.864 1.00 0.00 C ATOM 397 CG2 ILE A 27 -1.640 3.822 -2.904 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.041 1.382 -1.993 1.00 0.00 C ATOM 0 H ILE A 27 2.334 3.449 -3.768 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.253 2.399 -4.633 1.00 0.00 H new ATOM 0 HB ILE A 27 0.289 4.744 -2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.501 2.850 -1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.091 3.205 -0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.949 4.158 -1.914 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.000 4.526 -3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.060 2.836 -3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.378 0.794 -1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.129 1.337 -1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.302 0.977 -2.945 1.00 0.00 H new ATOM 410 N GLU A 28 -0.706 4.157 -6.353 1.00 0.00 N ATOM 411 CA GLU A 28 -0.985 5.158 -7.362 1.00 0.00 C ATOM 412 C GLU A 28 -2.434 5.602 -7.261 1.00 0.00 C ATOM 413 O GLU A 28 -3.351 4.781 -7.280 1.00 0.00 O ATOM 414 CB GLU A 28 -0.680 4.615 -8.761 1.00 0.00 C ATOM 415 CG GLU A 28 -0.973 5.600 -9.881 1.00 0.00 C ATOM 416 CD GLU A 28 -0.501 5.112 -11.233 1.00 0.00 C ATOM 417 OE1 GLU A 28 0.685 5.315 -11.557 1.00 0.00 O ATOM 418 OE2 GLU A 28 -1.314 4.536 -11.982 1.00 0.00 O ATOM 0 H GLU A 28 -1.203 3.275 -6.482 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.341 6.021 -7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.371 4.329 -8.808 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.265 3.710 -8.924 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.046 5.787 -9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.492 6.552 -9.656 1.00 0.00 H new ATOM 425 N ASN A 29 -2.632 6.898 -7.123 1.00 0.00 N ATOM 426 CA ASN A 29 -3.969 7.458 -7.045 1.00 0.00 C ATOM 427 C ASN A 29 -4.539 7.614 -8.445 1.00 0.00 C ATOM 428 O ASN A 29 -4.365 8.645 -9.092 1.00 0.00 O ATOM 429 CB ASN A 29 -3.936 8.797 -6.308 1.00 0.00 C ATOM 430 CG ASN A 29 -5.275 9.506 -6.280 1.00 0.00 C ATOM 431 OD1 ASN A 29 -6.331 8.885 -6.352 1.00 0.00 O ATOM 432 ND2 ASN A 29 -5.231 10.819 -6.158 1.00 0.00 N ATOM 0 H ASN A 29 -1.882 7.586 -7.062 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.615 6.783 -6.484 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.601 8.631 -5.284 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.200 9.446 -6.783 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.097 11.357 -6.120 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.331 11.296 -6.101 1.00 0.00 H new ATOM 439 N GLN A 30 -5.212 6.575 -8.912 1.00 0.00 N ATOM 440 CA GLN A 30 -5.700 6.520 -10.281 1.00 0.00 C ATOM 441 C GLN A 30 -7.073 7.170 -10.392 1.00 0.00 C ATOM 442 O GLN A 30 -7.973 6.665 -11.065 1.00 0.00 O ATOM 443 CB GLN A 30 -5.733 5.070 -10.762 1.00 0.00 C ATOM 444 CG GLN A 30 -4.366 4.406 -10.709 1.00 0.00 C ATOM 445 CD GLN A 30 -4.351 3.013 -11.302 1.00 0.00 C ATOM 446 OE1 GLN A 30 -5.346 2.289 -11.259 1.00 0.00 O ATOM 447 NE2 GLN A 30 -3.220 2.632 -11.871 1.00 0.00 N ATOM 0 H GLN A 30 -5.435 5.749 -8.356 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.020 7.081 -10.922 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.432 4.503 -10.148 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.109 5.039 -11.785 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.647 5.028 -11.243 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.035 4.355 -9.672 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.418 3.263 -11.885 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.149 1.707 -12.296 1.00 0.00 H new ATOM 456 N GLY A 31 -7.199 8.315 -9.746 1.00 0.00 N ATOM 457 CA GLY A 31 -8.408 9.098 -9.806 1.00 0.00 C ATOM 458 C GLY A 31 -8.068 10.568 -9.800 1.00 0.00 C ATOM 459 O GLY A 31 -7.097 10.979 -9.158 1.00 0.00 O ATOM 0 H GLY A 31 -6.465 8.723 -9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.969 8.849 -10.707 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.048 8.860 -8.956 1.00 0.00 H new ATOM 463 N ASN A 32 -8.843 11.364 -10.516 1.00 0.00 N ATOM 464 CA ASN A 32 -8.524 12.771 -10.697 1.00 0.00 C ATOM 465 C ASN A 32 -8.965 13.592 -9.490 1.00 0.00 C ATOM 466 O ASN A 32 -9.859 14.429 -9.575 1.00 0.00 O ATOM 467 CB ASN A 32 -9.158 13.316 -11.980 1.00 0.00 C ATOM 468 CG ASN A 32 -8.542 14.635 -12.415 1.00 0.00 C ATOM 469 OD1 ASN A 32 -7.565 14.658 -13.166 1.00 0.00 O ATOM 470 ND2 ASN A 32 -9.104 15.739 -11.952 1.00 0.00 N ATOM 0 H ASN A 32 -9.698 11.061 -10.982 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.441 12.857 -10.789 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.043 12.583 -12.779 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.228 13.452 -11.824 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.730 16.651 -12.215 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.912 15.679 -11.332 1.00 0.00 H new ATOM 477 N LYS A 33 -8.357 13.298 -8.357 1.00 0.00 N ATOM 478 CA LYS A 33 -8.519 14.095 -7.153 1.00 0.00 C ATOM 479 C LYS A 33 -7.377 13.788 -6.197 1.00 0.00 C ATOM 480 O LYS A 33 -7.181 12.638 -5.811 1.00 0.00 O ATOM 481 CB LYS A 33 -9.868 13.819 -6.481 1.00 0.00 C ATOM 482 CG LYS A 33 -10.142 14.718 -5.284 1.00 0.00 C ATOM 483 CD LYS A 33 -10.031 16.184 -5.666 1.00 0.00 C ATOM 484 CE LYS A 33 -10.192 17.098 -4.463 1.00 0.00 C ATOM 485 NZ LYS A 33 -9.899 18.513 -4.811 1.00 0.00 N ATOM 0 H LYS A 33 -7.735 12.498 -8.244 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.499 15.151 -7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.664 13.950 -7.214 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.899 12.778 -6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.139 14.515 -4.893 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.435 14.492 -4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.063 16.365 -6.132 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.792 16.424 -6.408 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.209 17.020 -4.079 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.524 16.773 -3.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.018 19.110 -3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.920 18.591 -5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.553 18.830 -5.555 1.00 0.00 H new ATOM 499 N ASP A 34 -6.616 14.812 -5.836 1.00 0.00 N ATOM 500 CA ASP A 34 -5.435 14.627 -4.999 1.00 0.00 C ATOM 501 C ASP A 34 -5.838 14.228 -3.586 1.00 0.00 C ATOM 502 O ASP A 34 -6.606 14.929 -2.923 1.00 0.00 O ATOM 503 CB ASP A 34 -4.583 15.898 -4.974 1.00 0.00 C ATOM 504 CG ASP A 34 -4.167 16.339 -6.365 1.00 0.00 C ATOM 505 OD1 ASP A 34 -3.310 15.670 -6.979 1.00 0.00 O ATOM 506 OD2 ASP A 34 -4.718 17.343 -6.862 1.00 0.00 O ATOM 0 H ASP A 34 -6.794 15.779 -6.108 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.837 13.823 -5.428 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.144 16.700 -4.494 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.693 15.725 -4.369 1.00 0.00 H new ATOM 511 N SER A 35 -5.312 13.101 -3.135 1.00 0.00 N ATOM 512 CA SER A 35 -5.687 12.531 -1.852 1.00 0.00 C ATOM 513 C SER A 35 -4.829 13.094 -0.728 1.00 0.00 C ATOM 514 O SER A 35 -3.647 13.393 -0.916 1.00 0.00 O ATOM 515 CB SER A 35 -5.551 11.007 -1.900 1.00 0.00 C ATOM 516 OG SER A 35 -5.920 10.412 -0.668 1.00 0.00 O ATOM 0 H SER A 35 -4.616 12.558 -3.646 1.00 0.00 H new ATOM 0 HA SER A 35 -6.725 12.797 -1.652 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.178 10.610 -2.699 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.522 10.740 -2.140 1.00 0.00 H new ATOM 0 HG SER A 35 -5.305 9.678 -0.462 1.00 0.00 H new ATOM 522 N THR A 36 -5.432 13.220 0.441 1.00 0.00 N ATOM 523 CA THR A 36 -4.744 13.705 1.621 1.00 0.00 C ATOM 524 C THR A 36 -4.046 12.549 2.347 1.00 0.00 C ATOM 525 O THR A 36 -3.834 11.485 1.759 1.00 0.00 O ATOM 526 CB THR A 36 -5.746 14.402 2.557 1.00 0.00 C ATOM 527 OG1 THR A 36 -6.892 13.563 2.745 1.00 0.00 O ATOM 528 CG2 THR A 36 -6.183 15.738 1.974 1.00 0.00 C ATOM 0 H THR A 36 -6.413 12.988 0.597 1.00 0.00 H new ATOM 0 HA THR A 36 -3.984 14.425 1.317 1.00 0.00 H new ATOM 0 HB THR A 36 -5.260 14.581 3.516 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.528 14.008 3.343 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.892 16.216 2.650 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.313 16.382 1.847 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.658 15.575 1.007 1.00 0.00 H new ATOM 536 N SER A 37 -3.676 12.766 3.606 1.00 0.00 N ATOM 537 CA SER A 37 -2.996 11.748 4.398 1.00 0.00 C ATOM 538 C SER A 37 -3.869 10.506 4.575 1.00 0.00 C ATOM 539 O SER A 37 -5.058 10.606 4.894 1.00 0.00 O ATOM 540 CB SER A 37 -2.620 12.327 5.760 1.00 0.00 C ATOM 541 OG SER A 37 -1.926 13.556 5.605 1.00 0.00 O ATOM 0 H SER A 37 -3.837 13.643 4.101 1.00 0.00 H new ATOM 0 HA SER A 37 -2.093 11.446 3.868 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.519 12.483 6.356 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.997 11.617 6.304 1.00 0.00 H new ATOM 0 HG SER A 37 -1.591 13.629 4.687 1.00 0.00 H new ATOM 547 N PHE A 38 -3.271 9.340 4.374 1.00 0.00 N ATOM 548 CA PHE A 38 -3.998 8.079 4.453 1.00 0.00 C ATOM 549 C PHE A 38 -3.103 6.987 5.037 1.00 0.00 C ATOM 550 O PHE A 38 -1.898 6.957 4.780 1.00 0.00 O ATOM 551 CB PHE A 38 -4.518 7.676 3.065 1.00 0.00 C ATOM 552 CG PHE A 38 -3.433 7.391 2.062 1.00 0.00 C ATOM 553 CD1 PHE A 38 -2.752 8.423 1.435 1.00 0.00 C ATOM 554 CD2 PHE A 38 -3.092 6.088 1.753 1.00 0.00 C ATOM 555 CE1 PHE A 38 -1.752 8.154 0.521 1.00 0.00 C ATOM 556 CE2 PHE A 38 -2.093 5.817 0.843 1.00 0.00 C ATOM 557 CZ PHE A 38 -1.423 6.846 0.228 1.00 0.00 C ATOM 0 H PHE A 38 -2.280 9.240 4.154 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.855 8.208 5.114 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.146 6.791 3.167 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.153 8.474 2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.006 9.448 1.664 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.615 5.272 2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.229 8.965 0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.837 4.793 0.613 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.640 6.632 -0.484 1.00 0.00 H new ATOM 567 N ASN A 39 -3.696 6.096 5.818 1.00 0.00 N ATOM 568 CA ASN A 39 -2.941 5.075 6.538 1.00 0.00 C ATOM 569 C ASN A 39 -2.846 3.789 5.731 1.00 0.00 C ATOM 570 O ASN A 39 -3.827 3.068 5.593 1.00 0.00 O ATOM 571 CB ASN A 39 -3.608 4.770 7.884 1.00 0.00 C ATOM 572 CG ASN A 39 -3.812 6.006 8.737 1.00 0.00 C ATOM 573 OD1 ASN A 39 -2.940 6.386 9.520 1.00 0.00 O ATOM 574 ND2 ASN A 39 -4.968 6.637 8.600 1.00 0.00 N ATOM 0 H ASN A 39 -4.704 6.058 5.971 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.936 5.464 6.702 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.573 4.295 7.706 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.996 4.054 8.432 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.163 7.471 9.154 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.664 6.289 7.940 1.00 0.00 H new ATOM 581 N VAL A 40 -1.670 3.481 5.216 1.00 0.00 N ATOM 582 CA VAL A 40 -1.492 2.258 4.453 1.00 0.00 C ATOM 583 C VAL A 40 -0.890 1.169 5.333 1.00 0.00 C ATOM 584 O VAL A 40 0.216 1.307 5.859 1.00 0.00 O ATOM 585 CB VAL A 40 -0.648 2.494 3.171 1.00 0.00 C ATOM 586 CG1 VAL A 40 0.176 1.271 2.803 1.00 0.00 C ATOM 587 CG2 VAL A 40 -1.565 2.850 2.021 1.00 0.00 C ATOM 0 H VAL A 40 -0.831 4.054 5.310 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.474 1.922 4.119 1.00 0.00 H new ATOM 0 HB VAL A 40 0.042 3.314 3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.751 1.478 1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.856 1.031 3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.488 0.425 2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.973 3.016 1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.266 2.034 1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.118 3.758 2.264 1.00 0.00 H new ATOM 597 N SER A 41 -1.656 0.107 5.522 1.00 0.00 N ATOM 598 CA SER A 41 -1.250 -0.994 6.376 1.00 0.00 C ATOM 599 C SER A 41 -0.942 -2.232 5.547 1.00 0.00 C ATOM 600 O SER A 41 -1.590 -2.489 4.529 1.00 0.00 O ATOM 601 CB SER A 41 -2.360 -1.312 7.382 1.00 0.00 C ATOM 602 OG SER A 41 -2.682 -0.179 8.170 1.00 0.00 O ATOM 0 H SER A 41 -2.572 -0.015 5.090 1.00 0.00 H new ATOM 0 HA SER A 41 -0.348 -0.699 6.912 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.249 -1.652 6.850 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.043 -2.130 8.029 1.00 0.00 H new ATOM 0 HG SER A 41 -3.394 -0.412 8.802 1.00 0.00 H new ATOM 608 N LEU A 42 0.053 -2.988 5.978 1.00 0.00 N ATOM 609 CA LEU A 42 0.377 -4.249 5.339 1.00 0.00 C ATOM 610 C LEU A 42 -0.236 -5.396 6.128 1.00 0.00 C ATOM 611 O LEU A 42 0.199 -5.705 7.241 1.00 0.00 O ATOM 612 CB LEU A 42 1.889 -4.439 5.236 1.00 0.00 C ATOM 613 CG LEU A 42 2.322 -5.688 4.469 1.00 0.00 C ATOM 614 CD1 LEU A 42 1.876 -5.605 3.018 1.00 0.00 C ATOM 615 CD2 LEU A 42 3.828 -5.874 4.559 1.00 0.00 C ATOM 0 H LEU A 42 0.651 -2.749 6.769 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.034 -4.239 4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.320 -3.563 4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.306 -4.484 6.242 1.00 0.00 H new ATOM 0 HG LEU A 42 1.843 -6.555 4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.193 -6.503 2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.790 -5.523 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.325 -4.729 2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.118 -6.768 4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.328 -5.005 4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.119 -5.982 5.604 1.00 0.00 H new ATOM 627 N LEU A 43 -1.259 -6.006 5.560 1.00 0.00 N ATOM 628 CA LEU A 43 -1.948 -7.102 6.214 1.00 0.00 C ATOM 629 C LEU A 43 -1.455 -8.436 5.675 1.00 0.00 C ATOM 630 O LEU A 43 -1.745 -8.803 4.541 1.00 0.00 O ATOM 631 CB LEU A 43 -3.465 -6.990 6.023 1.00 0.00 C ATOM 632 CG LEU A 43 -4.116 -5.727 6.596 1.00 0.00 C ATOM 633 CD1 LEU A 43 -3.951 -4.548 5.655 1.00 0.00 C ATOM 634 CD2 LEU A 43 -5.585 -5.976 6.890 1.00 0.00 C ATOM 0 H LEU A 43 -1.632 -5.760 4.643 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.730 -7.046 7.280 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.683 -7.036 4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.936 -7.859 6.482 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.610 -5.480 7.530 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.423 -3.667 6.089 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.890 -4.352 5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.421 -4.777 4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.033 -5.069 7.297 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.098 -6.253 5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.679 -6.784 7.615 1.00 0.00 H new ATOM 646 N VAL A 44 -0.706 -9.154 6.491 1.00 0.00 N ATOM 647 CA VAL A 44 -0.187 -10.454 6.102 1.00 0.00 C ATOM 648 C VAL A 44 -1.191 -11.535 6.469 1.00 0.00 C ATOM 649 O VAL A 44 -1.326 -11.897 7.641 1.00 0.00 O ATOM 650 CB VAL A 44 1.169 -10.760 6.773 1.00 0.00 C ATOM 651 CG1 VAL A 44 1.675 -12.136 6.365 1.00 0.00 C ATOM 652 CG2 VAL A 44 2.190 -9.693 6.420 1.00 0.00 C ATOM 0 H VAL A 44 -0.442 -8.858 7.431 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.028 -10.437 5.024 1.00 0.00 H new ATOM 0 HB VAL A 44 1.023 -10.756 7.853 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.632 -12.330 6.850 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.953 -12.894 6.670 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.803 -12.171 5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.140 -9.925 6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.328 -9.665 5.339 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.836 -8.722 6.765 1.00 0.00 H new ATOM 662 N ASP A 45 -1.931 -11.997 5.465 1.00 0.00 N ATOM 663 CA ASP A 45 -2.959 -13.025 5.646 1.00 0.00 C ATOM 664 C ASP A 45 -4.040 -12.567 6.623 1.00 0.00 C ATOM 665 O ASP A 45 -4.801 -13.381 7.152 1.00 0.00 O ATOM 666 CB ASP A 45 -2.339 -14.348 6.116 1.00 0.00 C ATOM 667 CG ASP A 45 -1.677 -15.117 4.988 1.00 0.00 C ATOM 668 OD1 ASP A 45 -2.384 -15.875 4.289 1.00 0.00 O ATOM 669 OD2 ASP A 45 -0.451 -14.972 4.788 1.00 0.00 O ATOM 0 H ASP A 45 -1.837 -11.672 4.503 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.428 -13.190 4.676 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.602 -14.144 6.893 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.114 -14.968 6.567 1.00 0.00 H new ATOM 674 N GLY A 46 -4.115 -11.260 6.847 1.00 0.00 N ATOM 675 CA GLY A 46 -5.129 -10.712 7.723 1.00 0.00 C ATOM 676 C GLY A 46 -4.546 -9.874 8.844 1.00 0.00 C ATOM 677 O GLY A 46 -5.129 -8.864 9.235 1.00 0.00 O ATOM 0 H GLY A 46 -3.488 -10.569 6.435 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.816 -10.101 7.138 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.713 -11.527 8.151 1.00 0.00 H new ATOM 681 N ILE A 47 -3.391 -10.280 9.360 1.00 0.00 N ATOM 682 CA ILE A 47 -2.778 -9.582 10.486 1.00 0.00 C ATOM 683 C ILE A 47 -2.058 -8.334 9.998 1.00 0.00 C ATOM 684 O ILE A 47 -1.476 -8.324 8.918 1.00 0.00 O ATOM 685 CB ILE A 47 -1.756 -10.462 11.235 1.00 0.00 C ATOM 686 CG1 ILE A 47 -2.265 -11.902 11.377 1.00 0.00 C ATOM 687 CG2 ILE A 47 -1.445 -9.877 12.607 1.00 0.00 C ATOM 688 CD1 ILE A 47 -3.528 -12.028 12.206 1.00 0.00 C ATOM 0 H ILE A 47 -2.863 -11.083 9.020 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.586 -9.324 11.171 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.839 -10.480 10.646 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.452 -12.311 10.384 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.482 -12.511 11.830 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.722 -10.513 13.118 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.029 -8.876 12.490 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.361 -9.823 13.195 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.825 -13.075 12.260 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.342 -11.651 13.212 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.326 -11.448 11.743 1.00 0.00 H new ATOM 700 N VAL A 48 -2.076 -7.301 10.809 1.00 0.00 N ATOM 701 CA VAL A 48 -1.462 -6.035 10.445 1.00 0.00 C ATOM 702 C VAL A 48 -0.065 -5.948 11.043 1.00 0.00 C ATOM 703 O VAL A 48 0.097 -5.689 12.236 1.00 0.00 O ATOM 704 CB VAL A 48 -2.302 -4.831 10.921 1.00 0.00 C ATOM 705 CG1 VAL A 48 -1.698 -3.525 10.428 1.00 0.00 C ATOM 706 CG2 VAL A 48 -3.744 -4.967 10.457 1.00 0.00 C ATOM 0 H VAL A 48 -2.511 -7.309 11.732 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.406 -5.996 9.357 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.294 -4.818 12.011 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.306 -2.689 10.775 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.685 -3.423 10.817 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.670 -3.526 9.338 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.320 -4.109 10.803 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.773 -5.009 9.368 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.174 -5.881 10.867 1.00 0.00 H new ATOM 716 N VAL A 49 0.941 -6.185 10.215 1.00 0.00 N ATOM 717 CA VAL A 49 2.316 -6.218 10.692 1.00 0.00 C ATOM 718 C VAL A 49 2.916 -4.819 10.773 1.00 0.00 C ATOM 719 O VAL A 49 3.756 -4.550 11.633 1.00 0.00 O ATOM 720 CB VAL A 49 3.215 -7.117 9.814 1.00 0.00 C ATOM 721 CG1 VAL A 49 2.765 -8.566 9.900 1.00 0.00 C ATOM 722 CG2 VAL A 49 3.223 -6.645 8.366 1.00 0.00 C ATOM 0 H VAL A 49 0.833 -6.356 9.215 1.00 0.00 H new ATOM 0 HA VAL A 49 2.279 -6.644 11.694 1.00 0.00 H new ATOM 0 HB VAL A 49 4.234 -7.045 10.194 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.409 -9.185 9.275 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.827 -8.906 10.934 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.735 -8.648 9.552 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.864 -7.298 7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.209 -6.675 7.968 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.602 -5.624 8.318 1.00 0.00 H new ATOM 732 N ASP A 50 2.474 -3.925 9.897 1.00 0.00 N ATOM 733 CA ASP A 50 3.027 -2.577 9.859 1.00 0.00 C ATOM 734 C ASP A 50 2.070 -1.613 9.166 1.00 0.00 C ATOM 735 O ASP A 50 1.412 -1.974 8.187 1.00 0.00 O ATOM 736 CB ASP A 50 4.383 -2.585 9.146 1.00 0.00 C ATOM 737 CG ASP A 50 5.132 -1.278 9.299 1.00 0.00 C ATOM 738 OD1 ASP A 50 4.965 -0.608 10.342 1.00 0.00 O ATOM 739 OD2 ASP A 50 5.898 -0.918 8.385 1.00 0.00 O ATOM 0 H ASP A 50 1.742 -4.106 9.210 1.00 0.00 H new ATOM 0 HA ASP A 50 3.167 -2.235 10.885 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.993 -3.397 9.543 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.230 -2.790 8.086 1.00 0.00 H new ATOM 744 N THR A 51 1.987 -0.399 9.693 1.00 0.00 N ATOM 745 CA THR A 51 1.123 0.635 9.140 1.00 0.00 C ATOM 746 C THR A 51 1.910 1.923 8.925 1.00 0.00 C ATOM 747 O THR A 51 2.504 2.461 9.862 1.00 0.00 O ATOM 748 CB THR A 51 -0.072 0.922 10.073 1.00 0.00 C ATOM 749 OG1 THR A 51 -0.839 -0.275 10.270 1.00 0.00 O ATOM 750 CG2 THR A 51 -0.965 2.017 9.502 1.00 0.00 C ATOM 0 H THR A 51 2.515 -0.104 10.514 1.00 0.00 H new ATOM 0 HA THR A 51 0.744 0.272 8.185 1.00 0.00 H new ATOM 0 HB THR A 51 0.321 1.265 11.030 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.538 -0.332 9.585 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.798 2.198 10.181 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.387 2.934 9.385 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.349 1.704 8.531 1.00 0.00 H new ATOM 758 N GLN A 52 1.912 2.417 7.698 1.00 0.00 N ATOM 759 CA GLN A 52 2.648 3.623 7.368 1.00 0.00 C ATOM 760 C GLN A 52 1.723 4.619 6.678 1.00 0.00 C ATOM 761 O GLN A 52 1.338 4.431 5.525 1.00 0.00 O ATOM 762 CB GLN A 52 3.850 3.274 6.478 1.00 0.00 C ATOM 763 CG GLN A 52 4.870 4.396 6.336 1.00 0.00 C ATOM 764 CD GLN A 52 4.796 5.106 4.997 1.00 0.00 C ATOM 765 OE1 GLN A 52 5.460 4.720 4.037 1.00 0.00 O ATOM 766 NE2 GLN A 52 3.999 6.157 4.921 1.00 0.00 N ATOM 0 H GLN A 52 1.411 2.000 6.914 1.00 0.00 H new ATOM 0 HA GLN A 52 3.024 4.083 8.282 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.348 2.395 6.888 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.487 3.001 5.487 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.715 5.122 7.134 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.872 3.987 6.468 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.462 6.450 5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.921 6.675 4.046 1.00 0.00 H new ATOM 775 N THR A 53 1.335 5.656 7.404 1.00 0.00 N ATOM 776 CA THR A 53 0.476 6.689 6.850 1.00 0.00 C ATOM 777 C THR A 53 1.267 7.586 5.902 1.00 0.00 C ATOM 778 O THR A 53 2.366 8.042 6.226 1.00 0.00 O ATOM 779 CB THR A 53 -0.188 7.537 7.962 1.00 0.00 C ATOM 780 OG1 THR A 53 -1.002 8.570 7.391 1.00 0.00 O ATOM 781 CG2 THR A 53 0.852 8.160 8.877 1.00 0.00 C ATOM 0 H THR A 53 1.601 5.804 8.377 1.00 0.00 H new ATOM 0 HA THR A 53 -0.318 6.193 6.292 1.00 0.00 H new ATOM 0 HB THR A 53 -0.815 6.868 8.552 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.279 8.307 6.489 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.353 8.749 9.647 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.441 7.373 9.347 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.509 8.806 8.295 1.00 0.00 H new ATOM 789 N VAL A 54 0.719 7.808 4.721 1.00 0.00 N ATOM 790 CA VAL A 54 1.372 8.631 3.717 1.00 0.00 C ATOM 791 C VAL A 54 0.847 10.059 3.800 1.00 0.00 C ATOM 792 O VAL A 54 -0.351 10.272 3.988 1.00 0.00 O ATOM 793 CB VAL A 54 1.148 8.072 2.295 1.00 0.00 C ATOM 794 CG1 VAL A 54 1.939 8.865 1.266 1.00 0.00 C ATOM 795 CG2 VAL A 54 1.517 6.596 2.230 1.00 0.00 C ATOM 0 H VAL A 54 -0.182 7.428 4.432 1.00 0.00 H new ATOM 0 HA VAL A 54 2.443 8.621 3.917 1.00 0.00 H new ATOM 0 HB VAL A 54 0.088 8.172 2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.763 8.450 0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.620 9.907 1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.002 8.807 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.351 6.224 1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.567 6.471 2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.897 6.035 2.929 1.00 0.00 H new ATOM 805 N THR A 55 1.750 11.025 3.675 1.00 0.00 N ATOM 806 CA THR A 55 1.410 12.438 3.795 1.00 0.00 C ATOM 807 C THR A 55 0.292 12.843 2.833 1.00 0.00 C ATOM 808 O THR A 55 -0.635 13.559 3.214 1.00 0.00 O ATOM 809 CB THR A 55 2.644 13.311 3.508 1.00 0.00 C ATOM 810 OG1 THR A 55 3.815 12.683 4.045 1.00 0.00 O ATOM 811 CG2 THR A 55 2.481 14.695 4.117 1.00 0.00 C ATOM 0 H THR A 55 2.737 10.851 3.488 1.00 0.00 H new ATOM 0 HA THR A 55 1.064 12.594 4.817 1.00 0.00 H new ATOM 0 HB THR A 55 2.747 13.418 2.428 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.599 13.240 3.859 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.366 15.294 3.901 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.602 15.179 3.691 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.358 14.605 5.196 1.00 0.00 H new ATOM 819 N SER A 56 0.381 12.368 1.600 1.00 0.00 N ATOM 820 CA SER A 56 -0.560 12.740 0.555 1.00 0.00 C ATOM 821 C SER A 56 -0.268 11.931 -0.704 1.00 0.00 C ATOM 822 O SER A 56 0.862 11.486 -0.911 1.00 0.00 O ATOM 823 CB SER A 56 -0.451 14.248 0.265 1.00 0.00 C ATOM 824 OG SER A 56 -1.340 14.657 -0.761 1.00 0.00 O ATOM 0 H SER A 56 1.105 11.716 1.297 1.00 0.00 H new ATOM 0 HA SER A 56 -1.576 12.524 0.885 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.665 14.809 1.175 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.572 14.489 -0.024 1.00 0.00 H new ATOM 0 HG SER A 56 -2.029 13.972 -0.889 1.00 0.00 H new ATOM 830 N LEU A 57 -1.283 11.724 -1.530 1.00 0.00 N ATOM 831 CA LEU A 57 -1.104 11.020 -2.789 1.00 0.00 C ATOM 832 C LEU A 57 -1.807 11.768 -3.909 1.00 0.00 C ATOM 833 O LEU A 57 -3.038 11.813 -3.972 1.00 0.00 O ATOM 834 CB LEU A 57 -1.617 9.582 -2.698 1.00 0.00 C ATOM 835 CG LEU A 57 -1.357 8.728 -3.940 1.00 0.00 C ATOM 836 CD1 LEU A 57 0.116 8.766 -4.314 1.00 0.00 C ATOM 837 CD2 LEU A 57 -1.805 7.296 -3.705 1.00 0.00 C ATOM 0 H LEU A 57 -2.238 12.034 -1.350 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.037 10.978 -3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.152 9.099 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.690 9.605 -2.509 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.935 9.140 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.282 8.153 -5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.412 9.794 -4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.711 8.378 -3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.612 6.703 -4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.253 6.875 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.872 7.280 -3.482 1.00 0.00 H new ATOM 849 N GLU A 58 -1.015 12.359 -4.783 1.00 0.00 N ATOM 850 CA GLU A 58 -1.533 13.213 -5.839 1.00 0.00 C ATOM 851 C GLU A 58 -2.266 12.419 -6.912 1.00 0.00 C ATOM 852 O GLU A 58 -2.067 11.214 -7.068 1.00 0.00 O ATOM 853 CB GLU A 58 -0.398 14.004 -6.471 1.00 0.00 C ATOM 854 CG GLU A 58 0.395 14.813 -5.468 1.00 0.00 C ATOM 855 CD GLU A 58 1.387 15.735 -6.130 1.00 0.00 C ATOM 856 OE1 GLU A 58 2.511 15.289 -6.430 1.00 0.00 O ATOM 857 OE2 GLU A 58 1.043 16.916 -6.346 1.00 0.00 O ATOM 0 H GLU A 58 0.000 12.263 -4.783 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.252 13.894 -5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.273 13.316 -6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.808 14.675 -7.226 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.290 15.400 -4.856 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.924 14.137 -4.796 1.00 0.00 H new ATOM 864 N SER A 59 -3.119 13.117 -7.645 1.00 0.00 N ATOM 865 CA SER A 59 -3.893 12.521 -8.719 1.00 0.00 C ATOM 866 C SER A 59 -2.984 12.020 -9.839 1.00 0.00 C ATOM 867 O SER A 59 -2.183 12.779 -10.390 1.00 0.00 O ATOM 868 CB SER A 59 -4.907 13.538 -9.255 1.00 0.00 C ATOM 869 OG SER A 59 -4.300 14.802 -9.496 1.00 0.00 O ATOM 0 H SER A 59 -3.293 14.113 -7.511 1.00 0.00 H new ATOM 0 HA SER A 59 -4.432 11.660 -8.323 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.347 13.162 -10.179 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.720 13.654 -8.539 1.00 0.00 H new ATOM 0 HG SER A 59 -4.023 15.200 -8.644 1.00 0.00 H new ATOM 875 N GLU A 60 -3.106 10.727 -10.138 1.00 0.00 N ATOM 876 CA GLU A 60 -2.337 10.067 -11.191 1.00 0.00 C ATOM 877 C GLU A 60 -0.846 10.048 -10.865 1.00 0.00 C ATOM 878 O GLU A 60 -0.007 9.860 -11.744 1.00 0.00 O ATOM 879 CB GLU A 60 -2.594 10.723 -12.551 1.00 0.00 C ATOM 880 CG GLU A 60 -4.044 10.618 -12.997 1.00 0.00 C ATOM 881 CD GLU A 60 -4.264 11.127 -14.403 1.00 0.00 C ATOM 882 OE1 GLU A 60 -4.501 12.341 -14.574 1.00 0.00 O ATOM 883 OE2 GLU A 60 -4.221 10.314 -15.348 1.00 0.00 O ATOM 0 H GLU A 60 -3.748 10.102 -9.651 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.674 9.032 -11.246 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.310 11.774 -12.500 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.955 10.256 -13.300 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.363 9.577 -12.939 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.673 11.183 -12.309 1.00 0.00 H new ATOM 890 N ASN A 61 -0.529 10.217 -9.590 1.00 0.00 N ATOM 891 CA ASN A 61 0.848 10.136 -9.128 1.00 0.00 C ATOM 892 C ASN A 61 0.983 8.965 -8.164 1.00 0.00 C ATOM 893 O ASN A 61 -0.002 8.544 -7.552 1.00 0.00 O ATOM 894 CB ASN A 61 1.270 11.453 -8.461 1.00 0.00 C ATOM 895 CG ASN A 61 2.756 11.506 -8.138 1.00 0.00 C ATOM 896 OD1 ASN A 61 3.571 10.839 -8.780 1.00 0.00 O ATOM 897 ND2 ASN A 61 3.124 12.319 -7.159 1.00 0.00 N ATOM 0 H ASN A 61 -1.209 10.412 -8.855 1.00 0.00 H new ATOM 0 HA ASN A 61 1.509 9.972 -9.979 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.017 12.284 -9.119 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.699 11.588 -7.542 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.110 12.409 -6.914 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.421 12.855 -6.650 1.00 0.00 H new ATOM 904 N SER A 62 2.187 8.429 -8.040 1.00 0.00 N ATOM 905 CA SER A 62 2.409 7.253 -7.219 1.00 0.00 C ATOM 906 C SER A 62 3.314 7.582 -6.038 1.00 0.00 C ATOM 907 O SER A 62 4.213 8.417 -6.149 1.00 0.00 O ATOM 908 CB SER A 62 3.043 6.148 -8.063 1.00 0.00 C ATOM 909 OG SER A 62 2.449 6.084 -9.349 1.00 0.00 O ATOM 0 H SER A 62 3.024 8.790 -8.498 1.00 0.00 H new ATOM 0 HA SER A 62 1.448 6.913 -6.834 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.113 6.330 -8.162 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.928 5.189 -7.558 1.00 0.00 H new ATOM 0 HG SER A 62 2.873 5.370 -9.870 1.00 0.00 H new ATOM 915 N THR A 63 3.067 6.937 -4.911 1.00 0.00 N ATOM 916 CA THR A 63 3.920 7.087 -3.746 1.00 0.00 C ATOM 917 C THR A 63 4.522 5.737 -3.370 1.00 0.00 C ATOM 918 O THR A 63 3.880 4.693 -3.527 1.00 0.00 O ATOM 919 CB THR A 63 3.149 7.685 -2.540 1.00 0.00 C ATOM 920 OG1 THR A 63 4.049 7.955 -1.457 1.00 0.00 O ATOM 921 CG2 THR A 63 2.048 6.749 -2.058 1.00 0.00 C ATOM 0 H THR A 63 2.280 6.302 -4.778 1.00 0.00 H new ATOM 0 HA THR A 63 4.718 7.784 -4.002 1.00 0.00 H new ATOM 0 HB THR A 63 2.689 8.614 -2.877 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.642 8.605 -0.847 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.530 7.202 -1.212 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.339 6.575 -2.867 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.486 5.800 -1.749 1.00 0.00 H new ATOM 929 N ASN A 64 5.761 5.753 -2.911 1.00 0.00 N ATOM 930 CA ASN A 64 6.434 4.536 -2.493 1.00 0.00 C ATOM 931 C ASN A 64 6.310 4.356 -0.989 1.00 0.00 C ATOM 932 O ASN A 64 6.864 5.132 -0.213 1.00 0.00 O ATOM 933 CB ASN A 64 7.910 4.562 -2.899 1.00 0.00 C ATOM 934 CG ASN A 64 8.113 4.510 -4.405 1.00 0.00 C ATOM 935 OD1 ASN A 64 9.060 5.090 -4.933 1.00 0.00 O ATOM 936 ND2 ASN A 64 7.242 3.799 -5.107 1.00 0.00 N ATOM 0 H ASN A 64 6.323 6.599 -2.818 1.00 0.00 H new ATOM 0 HA ASN A 64 5.955 3.694 -2.992 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.373 5.467 -2.507 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.422 3.717 -2.439 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.346 3.720 -6.119 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.468 3.331 -4.636 1.00 0.00 H new ATOM 943 N VAL A 65 5.562 3.342 -0.589 1.00 0.00 N ATOM 944 CA VAL A 65 5.355 3.045 0.819 1.00 0.00 C ATOM 945 C VAL A 65 6.322 1.962 1.267 1.00 0.00 C ATOM 946 O VAL A 65 6.291 0.846 0.745 1.00 0.00 O ATOM 947 CB VAL A 65 3.914 2.560 1.082 1.00 0.00 C ATOM 948 CG1 VAL A 65 3.618 2.513 2.573 1.00 0.00 C ATOM 949 CG2 VAL A 65 2.908 3.436 0.353 1.00 0.00 C ATOM 0 H VAL A 65 5.084 2.705 -1.226 1.00 0.00 H new ATOM 0 HA VAL A 65 5.528 3.963 1.380 1.00 0.00 H new ATOM 0 HB VAL A 65 3.823 1.546 0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.596 2.168 2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.311 1.828 3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.734 3.510 2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.899 3.075 0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.001 4.465 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.101 3.397 -0.719 1.00 0.00 H new ATOM 959 N ASP A 66 7.189 2.283 2.213 1.00 0.00 N ATOM 960 CA ASP A 66 8.161 1.315 2.690 1.00 0.00 C ATOM 961 C ASP A 66 7.645 0.609 3.939 1.00 0.00 C ATOM 962 O ASP A 66 7.340 1.237 4.954 1.00 0.00 O ATOM 963 CB ASP A 66 9.531 1.966 2.941 1.00 0.00 C ATOM 964 CG ASP A 66 9.553 2.944 4.102 1.00 0.00 C ATOM 965 OD1 ASP A 66 9.187 4.122 3.905 1.00 0.00 O ATOM 966 OD2 ASP A 66 9.976 2.549 5.212 1.00 0.00 O ATOM 0 H ASP A 66 7.240 3.198 2.662 1.00 0.00 H new ATOM 0 HA ASP A 66 8.300 0.567 1.910 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.265 1.182 3.128 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.844 2.487 2.036 1.00 0.00 H new ATOM 971 N PHE A 67 7.513 -0.703 3.839 1.00 0.00 N ATOM 972 CA PHE A 67 7.033 -1.509 4.948 1.00 0.00 C ATOM 973 C PHE A 67 8.194 -2.090 5.731 1.00 0.00 C ATOM 974 O PHE A 67 9.246 -2.400 5.173 1.00 0.00 O ATOM 975 CB PHE A 67 6.129 -2.638 4.456 1.00 0.00 C ATOM 976 CG PHE A 67 4.810 -2.165 3.923 1.00 0.00 C ATOM 977 CD1 PHE A 67 3.985 -1.358 4.692 1.00 0.00 C ATOM 978 CD2 PHE A 67 4.392 -2.533 2.656 1.00 0.00 C ATOM 979 CE1 PHE A 67 2.768 -0.927 4.204 1.00 0.00 C ATOM 980 CE2 PHE A 67 3.175 -2.107 2.165 1.00 0.00 C ATOM 981 CZ PHE A 67 2.363 -1.304 2.940 1.00 0.00 C ATOM 0 H PHE A 67 7.733 -1.234 2.997 1.00 0.00 H new ATOM 0 HA PHE A 67 6.453 -0.857 5.602 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.648 -3.193 3.675 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.951 -3.333 5.277 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.298 -1.064 5.683 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.025 -3.160 2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.134 -0.296 4.810 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.858 -2.402 1.175 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.410 -0.970 2.557 1.00 0.00 H new ATOM 991 N HIS A 68 7.996 -2.229 7.027 1.00 0.00 N ATOM 992 CA HIS A 68 9.028 -2.747 7.908 1.00 0.00 C ATOM 993 C HIS A 68 8.622 -4.127 8.410 1.00 0.00 C ATOM 994 O HIS A 68 7.949 -4.258 9.434 1.00 0.00 O ATOM 995 CB HIS A 68 9.244 -1.781 9.080 1.00 0.00 C ATOM 996 CG HIS A 68 9.293 -0.338 8.658 1.00 0.00 C ATOM 997 ND1 HIS A 68 8.164 0.439 8.512 1.00 0.00 N ATOM 998 CD2 HIS A 68 10.336 0.457 8.321 1.00 0.00 C ATOM 999 CE1 HIS A 68 8.511 1.644 8.105 1.00 0.00 C ATOM 1000 NE2 HIS A 68 9.824 1.685 7.980 1.00 0.00 N ATOM 0 H HIS A 68 7.123 -1.989 7.498 1.00 0.00 H new ATOM 0 HA HIS A 68 9.967 -2.837 7.361 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.441 -1.914 9.804 1.00 0.00 H new ATOM 0 HB3 HIS A 68 10.175 -2.037 9.586 1.00 0.00 H new ATOM 0 HD1 HIS A 68 7.209 0.130 8.691 1.00 0.00 H new ATOM 0 HD2 HIS A 68 11.379 0.177 8.320 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.834 2.461 7.907 1.00 0.00 H new ATOM 1009 N TRP A 69 9.017 -5.155 7.672 1.00 0.00 N ATOM 1010 CA TRP A 69 8.570 -6.510 7.952 1.00 0.00 C ATOM 1011 C TRP A 69 9.751 -7.453 8.169 1.00 0.00 C ATOM 1012 O TRP A 69 10.537 -7.715 7.260 1.00 0.00 O ATOM 1013 CB TRP A 69 7.666 -7.013 6.813 1.00 0.00 C ATOM 1014 CG TRP A 69 7.396 -8.489 6.859 1.00 0.00 C ATOM 1015 CD1 TRP A 69 7.209 -9.257 7.974 1.00 0.00 C ATOM 1016 CD2 TRP A 69 7.276 -9.373 5.738 1.00 0.00 C ATOM 1017 NE1 TRP A 69 7.016 -10.569 7.617 1.00 0.00 N ATOM 1018 CE2 TRP A 69 7.045 -10.665 6.249 1.00 0.00 C ATOM 1019 CE3 TRP A 69 7.351 -9.202 4.351 1.00 0.00 C ATOM 1020 CZ2 TRP A 69 6.891 -11.773 5.421 1.00 0.00 C ATOM 1021 CZ3 TRP A 69 7.190 -10.303 3.535 1.00 0.00 C ATOM 1022 CH2 TRP A 69 6.967 -11.573 4.071 1.00 0.00 C ATOM 0 H TRP A 69 9.647 -5.075 6.874 1.00 0.00 H new ATOM 0 HA TRP A 69 7.993 -6.495 8.877 1.00 0.00 H new ATOM 0 HB2 TRP A 69 6.717 -6.478 6.852 1.00 0.00 H new ATOM 0 HB3 TRP A 69 8.131 -6.768 5.858 1.00 0.00 H new ATOM 0 HD1 TRP A 69 7.213 -8.886 8.988 1.00 0.00 H new ATOM 0 HE1 TRP A 69 6.874 -11.345 8.263 1.00 0.00 H new ATOM 0 HE3 TRP A 69 7.532 -8.225 3.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.717 -12.757 5.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 7.237 -10.180 2.463 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.852 -12.415 3.405 1.00 0.00 H new ATOM 1033 N THR A 70 9.869 -7.940 9.392 1.00 0.00 N ATOM 1034 CA THR A 70 10.867 -8.935 9.739 1.00 0.00 C ATOM 1035 C THR A 70 10.421 -10.317 9.271 1.00 0.00 C ATOM 1036 O THR A 70 9.416 -10.841 9.752 1.00 0.00 O ATOM 1037 CB THR A 70 11.083 -8.969 11.263 1.00 0.00 C ATOM 1038 OG1 THR A 70 11.419 -7.658 11.736 1.00 0.00 O ATOM 1039 CG2 THR A 70 12.177 -9.957 11.642 1.00 0.00 C ATOM 0 H THR A 70 9.276 -7.657 10.172 1.00 0.00 H new ATOM 0 HA THR A 70 11.801 -8.666 9.245 1.00 0.00 H new ATOM 0 HB THR A 70 10.155 -9.297 11.732 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.554 -7.685 12.706 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.307 -9.959 12.724 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.896 -10.956 11.308 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.112 -9.665 11.165 1.00 0.00 H new ATOM 1047 N LEU A 71 11.148 -10.898 8.325 1.00 0.00 N ATOM 1048 CA LEU A 71 10.818 -12.232 7.842 1.00 0.00 C ATOM 1049 C LEU A 71 10.956 -13.267 8.950 1.00 0.00 C ATOM 1050 O LEU A 71 12.038 -13.470 9.507 1.00 0.00 O ATOM 1051 CB LEU A 71 11.689 -12.621 6.650 1.00 0.00 C ATOM 1052 CG LEU A 71 10.957 -12.649 5.309 1.00 0.00 C ATOM 1053 CD1 LEU A 71 9.779 -13.609 5.361 1.00 0.00 C ATOM 1054 CD2 LEU A 71 10.499 -11.253 4.925 1.00 0.00 C ATOM 0 H LEU A 71 11.961 -10.472 7.881 1.00 0.00 H new ATOM 0 HA LEU A 71 9.778 -12.210 7.516 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.521 -11.920 6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.117 -13.606 6.836 1.00 0.00 H new ATOM 0 HG LEU A 71 11.649 -13.004 4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.271 -13.614 4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.138 -14.613 5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.083 -13.289 6.136 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.980 -11.291 3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.824 -10.869 5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.365 -10.596 4.842 1.00 0.00 H new ATOM 1066 N ASP A 72 9.844 -13.913 9.260 1.00 0.00 N ATOM 1067 CA ASP A 72 9.802 -14.915 10.314 1.00 0.00 C ATOM 1068 C ASP A 72 10.261 -16.269 9.798 1.00 0.00 C ATOM 1069 O ASP A 72 10.914 -17.029 10.512 1.00 0.00 O ATOM 1070 CB ASP A 72 8.381 -15.054 10.865 1.00 0.00 C ATOM 1071 CG ASP A 72 7.833 -13.769 11.446 1.00 0.00 C ATOM 1072 OD1 ASP A 72 8.069 -13.507 12.644 1.00 0.00 O ATOM 1073 OD2 ASP A 72 7.146 -13.028 10.710 1.00 0.00 O ATOM 0 H ASP A 72 8.951 -13.760 8.792 1.00 0.00 H new ATOM 0 HA ASP A 72 10.474 -14.585 11.106 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.721 -15.393 10.066 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.372 -15.825 11.635 1.00 0.00 H new ATOM 1078 N GLY A 73 9.907 -16.572 8.556 1.00 0.00 N ATOM 1079 CA GLY A 73 10.182 -17.886 8.011 1.00 0.00 C ATOM 1080 C GLY A 73 9.112 -18.876 8.417 1.00 0.00 C ATOM 1081 O GLY A 73 9.309 -20.089 8.355 1.00 0.00 O ATOM 0 H GLY A 73 9.435 -15.932 7.917 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.236 -17.829 6.924 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.155 -18.232 8.361 1.00 0.00 H new ATOM 1085 N THR A 74 7.976 -18.338 8.844 1.00 0.00 N ATOM 1086 CA THR A 74 6.842 -19.139 9.278 1.00 0.00 C ATOM 1087 C THR A 74 6.203 -19.877 8.106 1.00 0.00 C ATOM 1088 O THR A 74 5.648 -20.964 8.268 1.00 0.00 O ATOM 1089 CB THR A 74 5.787 -18.248 9.960 1.00 0.00 C ATOM 1090 OG1 THR A 74 5.655 -17.017 9.232 1.00 0.00 O ATOM 1091 CG2 THR A 74 6.167 -17.952 11.402 1.00 0.00 C ATOM 0 H THR A 74 7.817 -17.332 8.899 1.00 0.00 H new ATOM 0 HA THR A 74 7.212 -19.876 9.991 1.00 0.00 H new ATOM 0 HB THR A 74 4.837 -18.782 9.961 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.983 -16.451 9.666 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.404 -17.321 11.857 1.00 0.00 H new ATOM 0 HG22 THR A 74 6.244 -18.887 11.957 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.127 -17.435 11.427 1.00 0.00 H new ATOM 1099 N ALA A 75 6.295 -19.284 6.924 1.00 0.00 N ATOM 1100 CA ALA A 75 5.727 -19.870 5.724 1.00 0.00 C ATOM 1101 C ALA A 75 6.604 -19.552 4.522 1.00 0.00 C ATOM 1102 O ALA A 75 7.509 -18.722 4.614 1.00 0.00 O ATOM 1103 CB ALA A 75 4.311 -19.354 5.505 1.00 0.00 C ATOM 0 H ALA A 75 6.762 -18.390 6.773 1.00 0.00 H new ATOM 0 HA ALA A 75 5.684 -20.952 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.896 -19.801 4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.690 -19.621 6.360 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.332 -18.270 5.396 1.00 0.00 H new ATOM 1109 N ASN A 76 6.338 -20.207 3.402 1.00 0.00 N ATOM 1110 CA ASN A 76 7.093 -19.958 2.179 1.00 0.00 C ATOM 1111 C ASN A 76 6.333 -18.983 1.300 1.00 0.00 C ATOM 1112 O ASN A 76 6.877 -18.415 0.353 1.00 0.00 O ATOM 1113 CB ASN A 76 7.352 -21.258 1.411 1.00 0.00 C ATOM 1114 CG ASN A 76 8.145 -22.267 2.217 1.00 0.00 C ATOM 1115 OD1 ASN A 76 9.374 -22.220 2.257 1.00 0.00 O ATOM 1116 ND2 ASN A 76 7.448 -23.203 2.843 1.00 0.00 N ATOM 0 H ASN A 76 5.608 -20.913 3.313 1.00 0.00 H new ATOM 0 HA ASN A 76 8.057 -19.531 2.454 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.399 -21.700 1.121 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.891 -21.030 0.491 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.929 -23.921 3.384 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.430 -23.206 2.784 1.00 0.00 H new ATOM 1123 N SER A 77 5.064 -18.803 1.624 1.00 0.00 N ATOM 1124 CA SER A 77 4.212 -17.871 0.915 1.00 0.00 C ATOM 1125 C SER A 77 3.459 -17.000 1.912 1.00 0.00 C ATOM 1126 O SER A 77 2.821 -17.508 2.835 1.00 0.00 O ATOM 1127 CB SER A 77 3.225 -18.629 0.025 1.00 0.00 C ATOM 1128 OG SER A 77 3.903 -19.519 -0.847 1.00 0.00 O ATOM 0 H SER A 77 4.599 -19.299 2.384 1.00 0.00 H new ATOM 0 HA SER A 77 4.831 -17.234 0.283 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.525 -19.187 0.647 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.638 -17.920 -0.559 1.00 0.00 H new ATOM 0 HG SER A 77 3.250 -19.992 -1.404 1.00 0.00 H new ATOM 1134 N TYR A 78 3.561 -15.697 1.745 1.00 0.00 N ATOM 1135 CA TYR A 78 2.849 -14.763 2.600 1.00 0.00 C ATOM 1136 C TYR A 78 1.826 -13.991 1.785 1.00 0.00 C ATOM 1137 O TYR A 78 2.139 -13.492 0.702 1.00 0.00 O ATOM 1138 CB TYR A 78 3.821 -13.788 3.263 1.00 0.00 C ATOM 1139 CG TYR A 78 4.710 -14.406 4.317 1.00 0.00 C ATOM 1140 CD1 TYR A 78 5.894 -15.048 3.975 1.00 0.00 C ATOM 1141 CD2 TYR A 78 4.369 -14.330 5.659 1.00 0.00 C ATOM 1142 CE1 TYR A 78 6.711 -15.599 4.945 1.00 0.00 C ATOM 1143 CE2 TYR A 78 5.180 -14.874 6.633 1.00 0.00 C ATOM 1144 CZ TYR A 78 6.348 -15.506 6.272 1.00 0.00 C ATOM 1145 OH TYR A 78 7.154 -16.048 7.245 1.00 0.00 O ATOM 0 H TYR A 78 4.132 -15.258 1.023 1.00 0.00 H new ATOM 0 HA TYR A 78 2.339 -15.330 3.379 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.449 -13.342 2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.250 -12.978 3.717 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.180 -15.118 2.936 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.452 -13.836 5.946 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.627 -16.099 4.665 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.900 -14.804 7.674 1.00 0.00 H new ATOM 0 HH TYR A 78 6.611 -16.285 8.025 1.00 0.00 H new ATOM 1155 N THR A 79 0.610 -13.894 2.294 1.00 0.00 N ATOM 1156 CA THR A 79 -0.432 -13.172 1.593 1.00 0.00 C ATOM 1157 C THR A 79 -0.431 -11.715 2.029 1.00 0.00 C ATOM 1158 O THR A 79 -1.177 -11.318 2.926 1.00 0.00 O ATOM 1159 CB THR A 79 -1.817 -13.789 1.859 1.00 0.00 C ATOM 1160 OG1 THR A 79 -1.730 -15.221 1.812 1.00 0.00 O ATOM 1161 CG2 THR A 79 -2.833 -13.307 0.836 1.00 0.00 C ATOM 0 H THR A 79 0.323 -14.303 3.183 1.00 0.00 H new ATOM 0 HA THR A 79 -0.228 -13.239 0.524 1.00 0.00 H new ATOM 0 HB THR A 79 -2.146 -13.474 2.849 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.281 -15.606 2.525 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.803 -13.758 1.046 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.918 -12.222 0.891 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.508 -13.596 -0.164 1.00 0.00 H new ATOM 1169 N LEU A 80 0.430 -10.925 1.412 1.00 0.00 N ATOM 1170 CA LEU A 80 0.571 -9.532 1.785 1.00 0.00 C ATOM 1171 C LEU A 80 -0.513 -8.691 1.141 1.00 0.00 C ATOM 1172 O LEU A 80 -0.616 -8.601 -0.082 1.00 0.00 O ATOM 1173 CB LEU A 80 1.957 -9.007 1.423 1.00 0.00 C ATOM 1174 CG LEU A 80 2.980 -9.055 2.561 1.00 0.00 C ATOM 1175 CD1 LEU A 80 3.140 -10.466 3.094 1.00 0.00 C ATOM 1176 CD2 LEU A 80 4.316 -8.512 2.092 1.00 0.00 C ATOM 0 H LEU A 80 1.040 -11.225 0.652 1.00 0.00 H new ATOM 0 HA LEU A 80 0.458 -9.459 2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.341 -9.586 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.862 -7.976 1.082 1.00 0.00 H new ATOM 0 HG LEU A 80 2.611 -8.429 3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.873 -10.469 3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.182 -10.823 3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.481 -11.121 2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.033 -8.552 2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.682 -9.114 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.195 -7.479 1.767 1.00 0.00 H new ATOM 1188 N THR A 81 -1.331 -8.099 1.984 1.00 0.00 N ATOM 1189 CA THR A 81 -2.443 -7.300 1.536 1.00 0.00 C ATOM 1190 C THR A 81 -2.238 -5.839 1.914 1.00 0.00 C ATOM 1191 O THR A 81 -2.263 -5.483 3.090 1.00 0.00 O ATOM 1192 CB THR A 81 -3.755 -7.817 2.151 1.00 0.00 C ATOM 1193 OG1 THR A 81 -3.890 -9.217 1.884 1.00 0.00 O ATOM 1194 CG2 THR A 81 -4.954 -7.075 1.590 1.00 0.00 C ATOM 0 H THR A 81 -1.241 -8.160 2.998 1.00 0.00 H new ATOM 0 HA THR A 81 -2.504 -7.378 0.450 1.00 0.00 H new ATOM 0 HB THR A 81 -3.719 -7.645 3.227 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.725 -9.546 2.277 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.866 -7.462 2.043 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.861 -6.012 1.813 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.997 -7.217 0.510 1.00 0.00 H new ATOM 1202 N VAL A 82 -2.008 -5.005 0.917 1.00 0.00 N ATOM 1203 CA VAL A 82 -1.866 -3.580 1.147 1.00 0.00 C ATOM 1204 C VAL A 82 -3.239 -2.932 1.153 1.00 0.00 C ATOM 1205 O VAL A 82 -3.835 -2.709 0.098 1.00 0.00 O ATOM 1206 CB VAL A 82 -0.977 -2.904 0.076 1.00 0.00 C ATOM 1207 CG1 VAL A 82 -0.824 -1.417 0.364 1.00 0.00 C ATOM 1208 CG2 VAL A 82 0.387 -3.577 0.003 1.00 0.00 C ATOM 0 H VAL A 82 -1.916 -5.289 -0.058 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.378 -3.445 2.112 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.466 -3.018 -0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.195 -0.961 -0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.805 -0.942 0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.362 -1.281 1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.995 -3.085 -0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.883 -3.500 0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.261 -4.628 -0.258 1.00 0.00 H new ATOM 1218 N ASN A 83 -3.764 -2.682 2.342 1.00 0.00 N ATOM 1219 CA ASN A 83 -5.061 -2.045 2.467 1.00 0.00 C ATOM 1220 C ASN A 83 -4.867 -0.553 2.659 1.00 0.00 C ATOM 1221 O ASN A 83 -4.377 -0.108 3.698 1.00 0.00 O ATOM 1222 CB ASN A 83 -5.843 -2.645 3.642 1.00 0.00 C ATOM 1223 CG ASN A 83 -7.345 -2.405 3.568 1.00 0.00 C ATOM 1224 OD1 ASN A 83 -8.134 -3.263 3.970 1.00 0.00 O ATOM 1225 ND2 ASN A 83 -7.760 -1.245 3.083 1.00 0.00 N ATOM 0 H ASN A 83 -3.313 -2.910 3.228 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.638 -2.218 1.559 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.658 -3.718 3.679 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.463 -2.223 4.572 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.758 -1.040 3.034 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.082 -0.556 2.758 1.00 0.00 H new ATOM 1232 N VAL A 84 -5.220 0.208 1.637 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.081 1.650 1.679 1.00 0.00 C ATOM 1234 C VAL A 84 -6.170 2.264 2.547 1.00 0.00 C ATOM 1235 O VAL A 84 -7.325 2.347 2.147 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.109 2.256 0.261 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -5.092 3.772 0.318 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.926 1.742 -0.548 1.00 0.00 C ATOM 0 H VAL A 84 -5.607 -0.153 0.765 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.112 1.882 2.121 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.034 1.948 -0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.112 4.174 -0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.965 4.125 0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.186 4.107 0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.953 2.175 -1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.997 2.027 -0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.980 0.656 -0.621 1.00 0.00 H new ATOM 1248 N ASP A 85 -5.764 2.638 3.755 1.00 0.00 N ATOM 1249 CA ASP A 85 -6.628 3.251 4.765 1.00 0.00 C ATOM 1250 C ASP A 85 -7.891 2.425 4.994 1.00 0.00 C ATOM 1251 O ASP A 85 -8.947 2.708 4.435 1.00 0.00 O ATOM 1252 CB ASP A 85 -6.977 4.701 4.403 1.00 0.00 C ATOM 1253 CG ASP A 85 -7.306 5.534 5.631 1.00 0.00 C ATOM 1254 OD1 ASP A 85 -8.456 5.484 6.102 1.00 0.00 O ATOM 1255 OD2 ASP A 85 -6.399 6.242 6.134 1.00 0.00 O ATOM 0 H ASP A 85 -4.801 2.522 4.070 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.068 3.269 5.700 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.139 5.153 3.873 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.828 4.709 3.721 1.00 0.00 H new ATOM 1260 N PRO A 86 -7.787 1.378 5.831 1.00 0.00 N ATOM 1261 CA PRO A 86 -8.918 0.496 6.149 1.00 0.00 C ATOM 1262 C PRO A 86 -10.028 1.237 6.886 1.00 0.00 C ATOM 1263 O PRO A 86 -11.134 0.722 7.055 1.00 0.00 O ATOM 1264 CB PRO A 86 -8.303 -0.581 7.054 1.00 0.00 C ATOM 1265 CG PRO A 86 -6.830 -0.478 6.845 1.00 0.00 C ATOM 1266 CD PRO A 86 -6.560 0.963 6.525 1.00 0.00 C ATOM 0 HA PRO A 86 -9.383 0.092 5.250 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.565 -0.413 8.099 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.669 -1.573 6.789 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.286 -0.789 7.737 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.505 -1.126 6.032 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.386 1.552 7.426 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.679 1.079 5.893 1.00 0.00 H new ATOM 1274 N GLU A 87 -9.718 2.449 7.324 1.00 0.00 N ATOM 1275 CA GLU A 87 -10.679 3.288 8.015 1.00 0.00 C ATOM 1276 C GLU A 87 -11.479 4.106 7.008 1.00 0.00 C ATOM 1277 O GLU A 87 -12.523 4.665 7.341 1.00 0.00 O ATOM 1278 CB GLU A 87 -9.952 4.217 8.988 1.00 0.00 C ATOM 1279 CG GLU A 87 -9.043 3.480 9.959 1.00 0.00 C ATOM 1280 CD GLU A 87 -8.312 4.413 10.898 1.00 0.00 C ATOM 1281 OE1 GLU A 87 -8.881 4.768 11.952 1.00 0.00 O ATOM 1282 OE2 GLU A 87 -7.161 4.786 10.599 1.00 0.00 O ATOM 0 H GLU A 87 -8.798 2.874 7.210 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.366 2.654 8.576 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.360 4.935 8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.689 4.788 9.553 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.636 2.776 10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.316 2.895 9.396 1.00 0.00 H new ATOM 1289 N ASN A 88 -10.971 4.150 5.776 1.00 0.00 N ATOM 1290 CA ASN A 88 -11.576 4.913 4.686 1.00 0.00 C ATOM 1291 C ASN A 88 -11.731 6.379 5.070 1.00 0.00 C ATOM 1292 O ASN A 88 -12.766 7.000 4.810 1.00 0.00 O ATOM 1293 CB ASN A 88 -12.931 4.324 4.272 1.00 0.00 C ATOM 1294 CG ASN A 88 -12.827 2.886 3.795 1.00 0.00 C ATOM 1295 OD1 ASN A 88 -13.061 1.948 4.563 1.00 0.00 O ATOM 1296 ND2 ASN A 88 -12.454 2.697 2.537 1.00 0.00 N ATOM 0 H ASN A 88 -10.122 3.653 5.505 1.00 0.00 H new ATOM 0 HA ASN A 88 -10.905 4.847 3.830 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.617 4.373 5.118 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.360 4.935 3.478 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -12.351 1.750 2.172 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.270 3.499 1.934 1.00 0.00 H new ATOM 1303 N ALA A 89 -10.691 6.931 5.689 1.00 0.00 N ATOM 1304 CA ALA A 89 -10.675 8.339 6.064 1.00 0.00 C ATOM 1305 C ALA A 89 -10.747 9.212 4.820 1.00 0.00 C ATOM 1306 O ALA A 89 -11.347 10.287 4.825 1.00 0.00 O ATOM 1307 CB ALA A 89 -9.427 8.656 6.869 1.00 0.00 C ATOM 0 H ALA A 89 -9.845 6.420 5.942 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.546 8.549 6.685 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.429 9.711 7.142 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.413 8.047 7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.543 8.437 6.270 1.00 0.00 H new ATOM 1313 N VAL A 90 -10.126 8.735 3.755 1.00 0.00 N ATOM 1314 CA VAL A 90 -10.241 9.365 2.455 1.00 0.00 C ATOM 1315 C VAL A 90 -11.028 8.439 1.540 1.00 0.00 C ATOM 1316 O VAL A 90 -10.477 7.479 1.012 1.00 0.00 O ATOM 1317 CB VAL A 90 -8.861 9.662 1.826 1.00 0.00 C ATOM 1318 CG1 VAL A 90 -9.022 10.433 0.525 1.00 0.00 C ATOM 1319 CG2 VAL A 90 -7.974 10.427 2.798 1.00 0.00 C ATOM 0 H VAL A 90 -9.532 7.906 3.768 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.751 10.320 2.580 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.377 8.711 1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.040 10.633 0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.611 9.843 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.531 11.377 0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.009 10.624 2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.450 11.372 3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.827 9.834 3.700 1.00 0.00 H new ATOM 1329 N ASN A 91 -12.320 8.715 1.388 1.00 0.00 N ATOM 1330 CA ASN A 91 -13.213 7.823 0.649 1.00 0.00 C ATOM 1331 C ASN A 91 -12.730 7.647 -0.782 1.00 0.00 C ATOM 1332 O ASN A 91 -12.759 8.589 -1.580 1.00 0.00 O ATOM 1333 CB ASN A 91 -14.646 8.356 0.652 1.00 0.00 C ATOM 1334 CG ASN A 91 -15.644 7.335 0.131 1.00 0.00 C ATOM 1335 OD1 ASN A 91 -16.258 6.596 0.903 1.00 0.00 O ATOM 1336 ND2 ASN A 91 -15.807 7.277 -1.180 1.00 0.00 N ATOM 0 H ASN A 91 -12.773 9.547 1.765 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.203 6.854 1.148 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -14.921 8.645 1.666 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -14.697 9.256 0.039 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -16.459 6.604 -1.584 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -15.281 7.905 -1.788 1.00 0.00 H new ATOM 1343 N GLU A 92 -12.292 6.442 -1.088 1.00 0.00 N ATOM 1344 CA GLU A 92 -11.680 6.137 -2.366 1.00 0.00 C ATOM 1345 C GLU A 92 -12.724 5.872 -3.441 1.00 0.00 C ATOM 1346 O GLU A 92 -13.913 5.707 -3.151 1.00 0.00 O ATOM 1347 CB GLU A 92 -10.764 4.916 -2.238 1.00 0.00 C ATOM 1348 CG GLU A 92 -9.888 4.920 -0.989 1.00 0.00 C ATOM 1349 CD GLU A 92 -10.534 4.229 0.207 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -11.708 4.528 0.528 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -9.872 3.375 0.819 1.00 0.00 O ATOM 0 H GLU A 92 -12.351 5.644 -0.455 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.096 7.008 -2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.377 4.015 -2.235 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.123 4.863 -3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.942 4.428 -1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -9.655 5.951 -0.721 1.00 0.00 H new ATOM 1358 N GLY A 93 -12.256 5.855 -4.683 1.00 0.00 N ATOM 1359 CA GLY A 93 -13.088 5.536 -5.827 1.00 0.00 C ATOM 1360 C GLY A 93 -13.737 4.168 -5.735 1.00 0.00 C ATOM 1361 O GLY A 93 -14.763 3.999 -5.075 1.00 0.00 O ATOM 0 H GLY A 93 -11.286 6.063 -4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -13.866 6.293 -5.924 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.482 5.583 -6.732 1.00 0.00 H new ATOM 1365 N ASN A 94 -13.168 3.195 -6.434 1.00 0.00 N ATOM 1366 CA ASN A 94 -13.733 1.849 -6.461 1.00 0.00 C ATOM 1367 C ASN A 94 -13.428 1.106 -5.163 1.00 0.00 C ATOM 1368 O ASN A 94 -12.329 1.215 -4.617 1.00 0.00 O ATOM 1369 CB ASN A 94 -13.202 1.059 -7.659 1.00 0.00 C ATOM 1370 CG ASN A 94 -13.829 -0.319 -7.767 1.00 0.00 C ATOM 1371 OD1 ASN A 94 -14.983 -0.523 -7.393 1.00 0.00 O ATOM 1372 ND2 ASN A 94 -13.065 -1.280 -8.259 1.00 0.00 N ATOM 0 H ASN A 94 -12.319 3.310 -6.988 1.00 0.00 H new ATOM 0 HA ASN A 94 -14.814 1.943 -6.560 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -13.398 1.617 -8.575 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -12.120 0.957 -7.573 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.428 -2.230 -8.339 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -12.113 -1.071 -8.559 1.00 0.00 H new ATOM 1379 N GLU A 95 -14.402 0.331 -4.702 1.00 0.00 N ATOM 1380 CA GLU A 95 -14.327 -0.349 -3.410 1.00 0.00 C ATOM 1381 C GLU A 95 -13.137 -1.305 -3.335 1.00 0.00 C ATOM 1382 O GLU A 95 -12.430 -1.353 -2.333 1.00 0.00 O ATOM 1383 CB GLU A 95 -15.621 -1.129 -3.165 1.00 0.00 C ATOM 1384 CG GLU A 95 -16.886 -0.315 -3.400 1.00 0.00 C ATOM 1385 CD GLU A 95 -16.991 0.892 -2.489 1.00 0.00 C ATOM 1386 OE1 GLU A 95 -17.536 0.755 -1.375 1.00 0.00 O ATOM 1387 OE2 GLU A 95 -16.543 1.984 -2.888 1.00 0.00 O ATOM 0 H GLU A 95 -15.268 0.155 -5.212 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.193 0.413 -2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -15.636 -2.002 -3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -15.623 -1.497 -2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -16.910 0.017 -4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -17.756 -0.954 -3.249 1.00 0.00 H new ATOM 1394 N SER A 96 -12.916 -2.058 -4.403 1.00 0.00 N ATOM 1395 CA SER A 96 -11.884 -3.090 -4.412 1.00 0.00 C ATOM 1396 C SER A 96 -10.538 -2.543 -4.883 1.00 0.00 C ATOM 1397 O SER A 96 -9.561 -3.285 -4.990 1.00 0.00 O ATOM 1398 CB SER A 96 -12.319 -4.242 -5.315 1.00 0.00 C ATOM 1399 OG SER A 96 -13.596 -4.730 -4.934 1.00 0.00 O ATOM 0 H SER A 96 -13.437 -1.975 -5.276 1.00 0.00 H new ATOM 0 HA SER A 96 -11.757 -3.446 -3.389 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.348 -3.906 -6.351 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.587 -5.048 -5.262 1.00 0.00 H new ATOM 0 HG SER A 96 -13.855 -5.466 -5.527 1.00 0.00 H new ATOM 1405 N ASN A 97 -10.481 -1.244 -5.142 1.00 0.00 N ATOM 1406 CA ASN A 97 -9.276 -0.635 -5.694 1.00 0.00 C ATOM 1407 C ASN A 97 -8.287 -0.248 -4.606 1.00 0.00 C ATOM 1408 O ASN A 97 -7.087 -0.181 -4.856 1.00 0.00 O ATOM 1409 CB ASN A 97 -9.627 0.592 -6.540 1.00 0.00 C ATOM 1410 CG ASN A 97 -9.932 0.236 -7.984 1.00 0.00 C ATOM 1411 OD1 ASN A 97 -10.358 -0.878 -8.286 1.00 0.00 O ATOM 1412 ND2 ASN A 97 -9.738 1.185 -8.884 1.00 0.00 N ATOM 0 H ASN A 97 -11.250 -0.593 -4.980 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.801 -1.383 -6.329 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.490 1.095 -6.103 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.797 1.298 -6.511 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.943 1.005 -9.867 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.383 2.097 -8.595 1.00 0.00 H new ATOM 1419 N ASN A 98 -8.781 -0.028 -3.392 1.00 0.00 N ATOM 1420 CA ASN A 98 -7.928 0.455 -2.307 1.00 0.00 C ATOM 1421 C ASN A 98 -7.155 -0.690 -1.656 1.00 0.00 C ATOM 1422 O ASN A 98 -6.310 -0.472 -0.791 1.00 0.00 O ATOM 1423 CB ASN A 98 -8.751 1.193 -1.243 1.00 0.00 C ATOM 1424 CG ASN A 98 -9.479 0.258 -0.291 1.00 0.00 C ATOM 1425 OD1 ASN A 98 -9.895 -0.843 -0.666 1.00 0.00 O ATOM 1426 ND2 ASN A 98 -9.635 0.690 0.950 1.00 0.00 N ATOM 0 H ASN A 98 -9.757 -0.174 -3.134 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.214 1.152 -2.746 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -8.091 1.843 -0.669 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.479 1.836 -1.738 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -10.114 0.107 1.637 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.277 1.606 1.220 1.00 0.00 H new ATOM 1433 N THR A 99 -7.440 -1.912 -2.072 1.00 0.00 N ATOM 1434 CA THR A 99 -6.788 -3.070 -1.493 1.00 0.00 C ATOM 1435 C THR A 99 -5.946 -3.795 -2.539 1.00 0.00 C ATOM 1436 O THR A 99 -6.230 -3.736 -3.735 1.00 0.00 O ATOM 1437 CB THR A 99 -7.819 -4.046 -0.898 1.00 0.00 C ATOM 1438 OG1 THR A 99 -8.825 -3.323 -0.174 1.00 0.00 O ATOM 1439 CG2 THR A 99 -7.159 -5.038 0.043 1.00 0.00 C ATOM 0 H THR A 99 -8.116 -2.126 -2.805 1.00 0.00 H new ATOM 0 HA THR A 99 -6.138 -2.715 -0.693 1.00 0.00 H new ATOM 0 HB THR A 99 -8.272 -4.590 -1.727 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.030 -2.488 -0.644 1.00 0.00 H new ATOM 0 HG21 THR A 99 -7.913 -5.714 0.447 1.00 0.00 H new ATOM 0 HG22 THR A 99 -6.411 -5.614 -0.502 1.00 0.00 H new ATOM 0 HG23 THR A 99 -6.679 -4.500 0.860 1.00 0.00 H new ATOM 1447 N LEU A 100 -4.906 -4.465 -2.074 1.00 0.00 N ATOM 1448 CA LEU A 100 -4.013 -5.224 -2.938 1.00 0.00 C ATOM 1449 C LEU A 100 -3.618 -6.524 -2.257 1.00 0.00 C ATOM 1450 O LEU A 100 -2.808 -6.525 -1.334 1.00 0.00 O ATOM 1451 CB LEU A 100 -2.751 -4.417 -3.269 1.00 0.00 C ATOM 1452 CG LEU A 100 -1.691 -5.160 -4.088 1.00 0.00 C ATOM 1453 CD1 LEU A 100 -2.206 -5.471 -5.484 1.00 0.00 C ATOM 1454 CD2 LEU A 100 -0.409 -4.346 -4.161 1.00 0.00 C ATOM 0 H LEU A 100 -4.655 -4.499 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.541 -5.440 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.046 -3.521 -3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.297 -4.085 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.474 -6.104 -3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.436 -5.999 -6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.096 -6.096 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.456 -4.541 -5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.334 -4.888 -4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.614 -3.386 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.026 -4.179 -3.154 1.00 0.00 H new ATOM 1466 N THR A 101 -4.214 -7.618 -2.689 1.00 0.00 N ATOM 1467 CA THR A 101 -3.887 -8.925 -2.148 1.00 0.00 C ATOM 1468 C THR A 101 -2.913 -9.647 -3.073 1.00 0.00 C ATOM 1469 O THR A 101 -3.299 -10.122 -4.142 1.00 0.00 O ATOM 1470 CB THR A 101 -5.160 -9.771 -1.968 1.00 0.00 C ATOM 1471 OG1 THR A 101 -6.158 -8.990 -1.293 1.00 0.00 O ATOM 1472 CG2 THR A 101 -4.874 -11.032 -1.167 1.00 0.00 C ATOM 0 H THR A 101 -4.930 -7.629 -3.416 1.00 0.00 H new ATOM 0 HA THR A 101 -3.419 -8.786 -1.173 1.00 0.00 H new ATOM 0 HB THR A 101 -5.519 -10.067 -2.954 1.00 0.00 H new ATOM 0 HG1 THR A 101 -6.971 -9.526 -1.179 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.792 -11.609 -1.056 1.00 0.00 H new ATOM 0 HG22 THR A 101 -4.129 -11.633 -1.688 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.496 -10.759 -0.182 1.00 0.00 H new ATOM 1480 N ALA A 102 -1.650 -9.703 -2.677 1.00 0.00 N ATOM 1481 CA ALA A 102 -0.626 -10.330 -3.499 1.00 0.00 C ATOM 1482 C ALA A 102 0.230 -11.279 -2.675 1.00 0.00 C ATOM 1483 O ALA A 102 0.630 -10.959 -1.555 1.00 0.00 O ATOM 1484 CB ALA A 102 0.242 -9.268 -4.160 1.00 0.00 C ATOM 0 H ALA A 102 -1.310 -9.323 -1.794 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.122 -10.912 -4.276 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.004 -9.750 -4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.379 -8.630 -4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.723 -8.662 -3.392 1.00 0.00 H new ATOM 1490 N LEU A 103 0.494 -12.452 -3.226 1.00 0.00 N ATOM 1491 CA LEU A 103 1.350 -13.423 -2.567 1.00 0.00 C ATOM 1492 C LEU A 103 2.811 -13.080 -2.776 1.00 0.00 C ATOM 1493 O LEU A 103 3.260 -12.894 -3.906 1.00 0.00 O ATOM 1494 CB LEU A 103 1.093 -14.833 -3.096 1.00 0.00 C ATOM 1495 CG LEU A 103 -0.252 -15.444 -2.716 1.00 0.00 C ATOM 1496 CD1 LEU A 103 -0.410 -16.804 -3.370 1.00 0.00 C ATOM 1497 CD2 LEU A 103 -0.376 -15.563 -1.206 1.00 0.00 C ATOM 0 H LEU A 103 0.127 -12.755 -4.128 1.00 0.00 H new ATOM 0 HA LEU A 103 1.116 -13.391 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.169 -14.813 -4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.885 -15.488 -2.733 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.046 -14.789 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.373 -17.232 -3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.360 -16.695 -4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.390 -17.464 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.342 -16.001 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.422 -16.200 -0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.297 -14.574 -0.755 1.00 0.00 H new ATOM 1509 N VAL A 104 3.546 -12.997 -1.688 1.00 0.00 N ATOM 1510 CA VAL A 104 4.985 -12.827 -1.760 1.00 0.00 C ATOM 1511 C VAL A 104 5.661 -14.116 -1.319 1.00 0.00 C ATOM 1512 O VAL A 104 5.253 -14.732 -0.329 1.00 0.00 O ATOM 1513 CB VAL A 104 5.495 -11.633 -0.909 1.00 0.00 C ATOM 1514 CG1 VAL A 104 4.927 -10.319 -1.418 1.00 0.00 C ATOM 1515 CG2 VAL A 104 5.159 -11.808 0.561 1.00 0.00 C ATOM 0 H VAL A 104 3.172 -13.044 -0.740 1.00 0.00 H new ATOM 0 HA VAL A 104 5.240 -12.599 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 104 6.580 -11.610 -1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.300 -9.499 -0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.234 -10.166 -2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.839 -10.347 -1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.532 -10.952 1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.078 -11.878 0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.625 -12.720 0.935 1.00 0.00 H new ATOM 1525 N GLY A 105 6.663 -14.548 -2.067 1.00 0.00 N ATOM 1526 CA GLY A 105 7.317 -15.796 -1.749 1.00 0.00 C ATOM 1527 C GLY A 105 8.663 -15.556 -1.124 1.00 0.00 C ATOM 1528 O GLY A 105 9.130 -14.423 -1.093 1.00 0.00 O ATOM 0 H GLY A 105 7.032 -14.060 -2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.693 -16.374 -1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.434 -16.390 -2.655 1.00 0.00 H new ATOM 1532 N THR A 106 9.291 -16.595 -0.617 1.00 0.00 N ATOM 1533 CA THR A 106 10.630 -16.460 -0.088 1.00 0.00 C ATOM 1534 C THR A 106 11.648 -16.606 -1.214 1.00 0.00 C ATOM 1535 O THR A 106 11.620 -17.579 -1.967 1.00 0.00 O ATOM 1536 CB THR A 106 10.907 -17.484 1.023 1.00 0.00 C ATOM 1537 OG1 THR A 106 10.548 -18.801 0.586 1.00 0.00 O ATOM 1538 CG2 THR A 106 10.135 -17.135 2.287 1.00 0.00 C ATOM 0 H THR A 106 8.899 -17.535 -0.560 1.00 0.00 H new ATOM 0 HA THR A 106 10.721 -15.468 0.354 1.00 0.00 H new ATOM 0 HB THR A 106 11.973 -17.458 1.247 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.615 -18.851 -0.390 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.348 -17.875 3.059 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.437 -16.148 2.637 1.00 0.00 H new ATOM 0 HG23 THR A 106 9.066 -17.132 2.072 1.00 0.00 H new ATOM 1546 N LEU A 107 12.523 -15.615 -1.347 1.00 0.00 N ATOM 1547 CA LEU A 107 13.467 -15.577 -2.453 1.00 0.00 C ATOM 1548 C LEU A 107 14.429 -16.749 -2.375 1.00 0.00 C ATOM 1549 O LEU A 107 14.959 -17.056 -1.306 1.00 0.00 O ATOM 1550 CB LEU A 107 14.235 -14.252 -2.466 1.00 0.00 C ATOM 1551 CG LEU A 107 15.116 -14.023 -3.700 1.00 0.00 C ATOM 1552 CD1 LEU A 107 14.288 -14.104 -4.972 1.00 0.00 C ATOM 1553 CD2 LEU A 107 15.816 -12.676 -3.612 1.00 0.00 C ATOM 0 H LEU A 107 12.597 -14.828 -0.702 1.00 0.00 H new ATOM 0 HA LEU A 107 12.904 -15.655 -3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 107 13.518 -13.434 -2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 107 14.863 -14.205 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 107 15.872 -14.807 -3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 107 14.931 -13.939 -5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 107 13.829 -15.090 -5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 107 13.509 -13.342 -4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 107 16.437 -12.530 -4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 107 15.071 -11.882 -3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 107 16.442 -12.649 -2.720 1.00 0.00 H new ATOM 1565 N GLU A 108 14.631 -17.406 -3.510 1.00 0.00 N ATOM 1566 CA GLU A 108 15.514 -18.557 -3.584 1.00 0.00 C ATOM 1567 C GLU A 108 16.944 -18.160 -3.229 1.00 0.00 C ATOM 1568 O GLU A 108 17.619 -18.844 -2.459 1.00 0.00 O ATOM 1569 CB GLU A 108 15.479 -19.164 -4.988 1.00 0.00 C ATOM 1570 CG GLU A 108 16.352 -20.398 -5.137 1.00 0.00 C ATOM 1571 CD GLU A 108 16.531 -20.812 -6.581 1.00 0.00 C ATOM 1572 OE1 GLU A 108 17.339 -20.173 -7.287 1.00 0.00 O ATOM 1573 OE2 GLU A 108 15.880 -21.783 -7.012 1.00 0.00 O ATOM 0 H GLU A 108 14.191 -17.157 -4.396 1.00 0.00 H new ATOM 0 HA GLU A 108 15.167 -19.300 -2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 108 14.450 -19.424 -5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 108 15.801 -18.412 -5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 108 17.329 -20.203 -4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 108 15.908 -21.222 -4.579 1.00 0.00 H new ATOM 1580 N HIS A 109 17.398 -17.048 -3.795 1.00 0.00 N ATOM 1581 CA HIS A 109 18.742 -16.554 -3.533 1.00 0.00 C ATOM 1582 C HIS A 109 18.756 -15.724 -2.261 1.00 0.00 C ATOM 1583 O HIS A 109 18.041 -14.730 -2.150 1.00 0.00 O ATOM 1584 CB HIS A 109 19.261 -15.726 -4.711 1.00 0.00 C ATOM 1585 CG HIS A 109 19.481 -16.528 -5.957 1.00 0.00 C ATOM 1586 ND1 HIS A 109 20.644 -17.223 -6.207 1.00 0.00 N ATOM 1587 CD2 HIS A 109 18.676 -16.753 -7.022 1.00 0.00 C ATOM 1588 CE1 HIS A 109 20.544 -17.842 -7.368 1.00 0.00 C ATOM 1589 NE2 HIS A 109 19.362 -17.570 -7.882 1.00 0.00 N ATOM 0 H HIS A 109 16.854 -16.472 -4.438 1.00 0.00 H new ATOM 0 HA HIS A 109 19.402 -17.412 -3.404 1.00 0.00 H new ATOM 0 HB2 HIS A 109 18.551 -14.927 -4.924 1.00 0.00 H new ATOM 0 HB3 HIS A 109 20.199 -15.250 -4.425 1.00 0.00 H new ATOM 0 HD2 HIS A 109 17.680 -16.362 -7.167 1.00 0.00 H new ATOM 0 HE1 HIS A 109 21.302 -18.465 -7.820 1.00 0.00 H new ATOM 0 HE2 HIS A 109 19.013 -17.913 -8.777 1.00 0.00 H new ATOM 1598 N HIS A 110 19.554 -16.147 -1.299 1.00 0.00 N ATOM 1599 CA HIS A 110 19.640 -15.460 -0.021 1.00 0.00 C ATOM 1600 C HIS A 110 20.942 -14.684 0.073 1.00 0.00 C ATOM 1601 O HIS A 110 21.993 -15.179 -0.339 1.00 0.00 O ATOM 1602 CB HIS A 110 19.551 -16.460 1.137 1.00 0.00 C ATOM 1603 CG HIS A 110 18.337 -17.334 1.087 1.00 0.00 C ATOM 1604 ND1 HIS A 110 18.385 -18.697 1.257 1.00 0.00 N ATOM 1605 CD2 HIS A 110 17.038 -17.031 0.872 1.00 0.00 C ATOM 1606 CE1 HIS A 110 17.171 -19.197 1.145 1.00 0.00 C ATOM 1607 NE2 HIS A 110 16.328 -18.207 0.909 1.00 0.00 N ATOM 0 H HIS A 110 20.155 -16.967 -1.378 1.00 0.00 H new ATOM 0 HA HIS A 110 18.803 -14.765 0.049 1.00 0.00 H new ATOM 0 HB2 HIS A 110 20.441 -17.089 1.131 1.00 0.00 H new ATOM 0 HB3 HIS A 110 19.555 -15.912 2.079 1.00 0.00 H new ATOM 0 HD2 HIS A 110 16.632 -16.045 0.702 1.00 0.00 H new ATOM 0 HE1 HIS A 110 16.909 -20.241 1.232 1.00 0.00 H new ATOM 0 HE2 HIS A 110 15.321 -18.300 0.777 1.00 0.00 H new ATOM 1616 N HIS A 111 20.871 -13.475 0.617 1.00 0.00 N ATOM 1617 CA HIS A 111 22.057 -12.644 0.790 1.00 0.00 C ATOM 1618 C HIS A 111 22.964 -13.259 1.849 1.00 0.00 C ATOM 1619 O HIS A 111 24.177 -13.051 1.849 1.00 0.00 O ATOM 1620 CB HIS A 111 21.658 -11.220 1.192 1.00 0.00 C ATOM 1621 CG HIS A 111 22.801 -10.249 1.200 1.00 0.00 C ATOM 1622 ND1 HIS A 111 23.421 -9.825 2.354 1.00 0.00 N ATOM 1623 CD2 HIS A 111 23.432 -9.615 0.183 1.00 0.00 C ATOM 1624 CE1 HIS A 111 24.381 -8.974 2.049 1.00 0.00 C ATOM 1625 NE2 HIS A 111 24.412 -8.829 0.738 1.00 0.00 N ATOM 0 H HIS A 111 20.005 -13.048 0.946 1.00 0.00 H new ATOM 0 HA HIS A 111 22.597 -12.594 -0.156 1.00 0.00 H new ATOM 0 HB2 HIS A 111 20.893 -10.860 0.505 1.00 0.00 H new ATOM 0 HB3 HIS A 111 21.208 -11.245 2.185 1.00 0.00 H new ATOM 0 HD2 HIS A 111 23.206 -9.710 -0.869 1.00 0.00 H new ATOM 0 HE1 HIS A 111 25.032 -8.479 2.754 1.00 0.00 H new ATOM 0 HE2 HIS A 111 25.058 -8.231 0.222 1.00 0.00 H new ATOM 1634 N HIS A 112 22.359 -14.022 2.747 1.00 0.00 N ATOM 1635 CA HIS A 112 23.093 -14.742 3.771 1.00 0.00 C ATOM 1636 C HIS A 112 22.471 -16.123 3.936 1.00 0.00 C ATOM 1637 O HIS A 112 21.253 -16.265 3.825 1.00 0.00 O ATOM 1638 CB HIS A 112 23.054 -13.971 5.097 1.00 0.00 C ATOM 1639 CG HIS A 112 24.081 -14.418 6.093 1.00 0.00 C ATOM 1640 ND1 HIS A 112 23.764 -14.923 7.335 1.00 0.00 N ATOM 1641 CD2 HIS A 112 25.433 -14.416 6.027 1.00 0.00 C ATOM 1642 CE1 HIS A 112 24.874 -15.211 7.988 1.00 0.00 C ATOM 1643 NE2 HIS A 112 25.900 -14.913 7.216 1.00 0.00 N ATOM 0 H HIS A 112 21.349 -14.158 2.785 1.00 0.00 H new ATOM 0 HA HIS A 112 24.137 -14.844 3.475 1.00 0.00 H new ATOM 0 HB2 HIS A 112 23.199 -12.910 4.893 1.00 0.00 H new ATOM 0 HB3 HIS A 112 22.063 -14.079 5.539 1.00 0.00 H new ATOM 0 HD1 HIS A 112 22.818 -15.054 7.694 1.00 0.00 H new ATOM 0 HD2 HIS A 112 26.033 -14.084 5.192 1.00 0.00 H new ATOM 0 HE1 HIS A 112 24.932 -15.621 8.985 1.00 0.00 H new ATOM 1652 N HIS A 113 23.303 -17.135 4.165 1.00 0.00 N ATOM 1653 CA HIS A 113 22.821 -18.504 4.330 1.00 0.00 C ATOM 1654 C HIS A 113 21.777 -18.561 5.444 1.00 0.00 C ATOM 1655 O HIS A 113 20.643 -18.988 5.230 1.00 0.00 O ATOM 1656 CB HIS A 113 23.995 -19.438 4.647 1.00 0.00 C ATOM 1657 CG HIS A 113 23.674 -20.899 4.533 1.00 0.00 C ATOM 1658 ND1 HIS A 113 24.282 -21.730 3.619 1.00 0.00 N ATOM 1659 CD2 HIS A 113 22.816 -21.680 5.230 1.00 0.00 C ATOM 1660 CE1 HIS A 113 23.811 -22.952 3.757 1.00 0.00 C ATOM 1661 NE2 HIS A 113 22.918 -22.954 4.727 1.00 0.00 N ATOM 0 H HIS A 113 24.315 -17.033 4.241 1.00 0.00 H new ATOM 0 HA HIS A 113 22.355 -18.832 3.401 1.00 0.00 H new ATOM 0 HB2 HIS A 113 24.820 -19.206 3.973 1.00 0.00 H new ATOM 0 HB3 HIS A 113 24.343 -19.233 5.659 1.00 0.00 H new ATOM 0 HD2 HIS A 113 22.170 -21.360 6.034 1.00 0.00 H new ATOM 0 HE1 HIS A 113 24.107 -23.810 3.172 1.00 0.00 H new ATOM 0 HE2 HIS A 113 22.391 -23.766 5.050 1.00 0.00 H new ATOM 1670 N HIS A 114 22.178 -18.128 6.629 1.00 0.00 N ATOM 1671 CA HIS A 114 21.269 -17.997 7.758 1.00 0.00 C ATOM 1672 C HIS A 114 21.823 -16.968 8.729 1.00 0.00 C ATOM 1673 O HIS A 114 21.558 -15.770 8.529 1.00 0.00 O ATOM 1674 CB HIS A 114 21.054 -19.347 8.458 1.00 0.00 C ATOM 1675 CG HIS A 114 20.200 -19.263 9.693 1.00 0.00 C ATOM 1676 ND1 HIS A 114 18.920 -18.751 9.695 1.00 0.00 N ATOM 1677 CD2 HIS A 114 20.464 -19.613 10.974 1.00 0.00 C ATOM 1678 CE1 HIS A 114 18.435 -18.791 10.922 1.00 0.00 C ATOM 1679 NE2 HIS A 114 19.351 -19.310 11.720 1.00 0.00 N ATOM 1680 OXT HIS A 114 22.555 -17.353 9.661 1.00 0.00 O ATOM 0 H HIS A 114 23.140 -17.858 6.835 1.00 0.00 H new ATOM 0 HA HIS A 114 20.298 -17.663 7.393 1.00 0.00 H new ATOM 0 HB2 HIS A 114 20.592 -20.040 7.755 1.00 0.00 H new ATOM 0 HB3 HIS A 114 22.024 -19.765 8.727 1.00 0.00 H new ATOM 0 HD2 HIS A 114 21.381 -20.050 11.342 1.00 0.00 H new ATOM 0 HE1 HIS A 114 17.454 -18.456 11.223 1.00 0.00 H new ATOM 0 HE2 HIS A 114 19.249 -19.461 12.724 1.00 0.00 H new TER 1689 HIS A 114