USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=31 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 113 HIS : no HD1:sc= -0.174 X(o=-0.46,f=-0.1) USER MOD Set 1.2: A 114 HIS : no HD1:sc= -0.291 X(o=-0.46,f=-0.1) USER MOD Set 2.1: A 88 ASN : amide:sc= 0.593 K(o=1.7,f=1.2) USER MOD Set 2.2: A 91 ASN : amide:sc= 1.11 K(o=1.7,f=1.2) USER MOD Set 3.1: A 39 ASN : amide:sc= 1.42 K(o=2.6,f=-4.9!) USER MOD Set 3.2: A 53 THR OG1 : rot -34:sc= 1.16 USER MOD Set 4.1: A 26 THR OG1 : rot -72:sc= 0.607 USER MOD Set 4.2: A 64 ASN : amide:sc= 0.545 K(o=1.2,f=0.0036) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.115 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0412 USER MOD Single : A 14 THR OG1 : rot 33:sc= 0.0485 USER MOD Single : A 18 ASN : amide:sc= -0.36 K(o=-0.36,f=-2.2!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.146 USER MOD Single : A 21 ASN : amide:sc= -0.464! C(o=-0.46!,f=-3.2!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -152:sc= -0.108 (180deg=-0.95) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.921 K(o=0.92,f=-3.3!) USER MOD Single : A 30 GLN : amide:sc= 0.427 K(o=0.43,f=-0.79) USER MOD Single : A 32 ASN : amide:sc= -1.83! K(o=-1.8!,f=-0.014) USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00412) USER MOD Single : A 35 SER OG : rot 144:sc= -2.2! USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.69! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0258 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.98 K(o=-0.98,f=-4.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 41:sc= 1.34 USER MOD Single : A 59 SER OG : rot -41:sc= 1.21 USER MOD Single : A 61 ASN : amide:sc= -0.0404 K(o=-0.04,f=-2.4!) USER MOD Single : A 62 SER OG : rot 180:sc= -0.695 USER MOD Single : A 63 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 68 HIS : no HD1:sc= -0.147 X(o=-0.15,f=0.023) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.538 USER MOD Single : A 74 THR OG1 : rot 90:sc= 1.22 USER MOD Single : A 76 ASN : amide:sc=-0.000332 K(o=-0.00033,f=-1.4) USER MOD Single : A 77 SER OG : rot 20:sc= 1.09 USER MOD Single : A 78 TYR OH : rot -108:sc= 0.527 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc=-0.00726 K(o=-0.0073,f=-1.2) USER MOD Single : A 94 ASN : amide:sc= -0.247 K(o=-0.25,f=-3.9!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0.404 K(o=0.4,f=-6.5!) USER MOD Single : A 98 ASN : amide:sc= 1.22 K(o=1.2,f=-4.5!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.00072 USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 110 HIS : no HD1:sc= -0.412 X(o=-0.41,f=-0.22) USER MOD Single : A 111 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.7!) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.513 15.418 -7.355 1.00 0.00 N ATOM 2 CA MET A 1 -14.259 14.717 -7.713 1.00 0.00 C ATOM 3 C MET A 1 -13.763 13.875 -6.550 1.00 0.00 C ATOM 4 O MET A 1 -13.557 14.375 -5.444 1.00 0.00 O ATOM 5 CB MET A 1 -13.176 15.719 -8.129 1.00 0.00 C ATOM 6 CG MET A 1 -13.371 16.291 -9.523 1.00 0.00 C ATOM 7 SD MET A 1 -12.035 17.401 -10.014 1.00 0.00 S ATOM 8 CE MET A 1 -12.417 17.642 -11.749 1.00 0.00 C ATOM 0 H1 MET A 1 -15.835 15.988 -8.163 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.244 14.719 -7.111 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.342 16.040 -6.539 1.00 0.00 H new ATOM 0 HA MET A 1 -14.472 14.060 -8.557 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.157 16.538 -7.410 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.203 15.229 -8.080 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.440 15.473 -10.240 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.318 16.830 -9.561 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.678 18.308 -12.195 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.397 16.681 -12.263 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.409 18.084 -11.845 1.00 0.00 H new ATOM 20 N ILE A 2 -13.581 12.592 -6.811 1.00 0.00 N ATOM 21 CA ILE A 2 -13.130 11.653 -5.801 1.00 0.00 C ATOM 22 C ILE A 2 -11.849 10.966 -6.291 1.00 0.00 C ATOM 23 O ILE A 2 -11.671 10.776 -7.499 1.00 0.00 O ATOM 24 CB ILE A 2 -14.247 10.613 -5.498 1.00 0.00 C ATOM 25 CG1 ILE A 2 -14.203 10.169 -4.037 1.00 0.00 C ATOM 26 CG2 ILE A 2 -14.160 9.404 -6.420 1.00 0.00 C ATOM 27 CD1 ILE A 2 -14.535 11.281 -3.063 1.00 0.00 C ATOM 0 H ILE A 2 -13.742 12.174 -7.727 1.00 0.00 H new ATOM 0 HA ILE A 2 -12.911 12.183 -4.874 1.00 0.00 H new ATOM 0 HB ILE A 2 -15.201 11.107 -5.683 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -14.905 9.347 -3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -13.209 9.783 -3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -14.957 8.702 -6.176 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -14.266 9.728 -7.455 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -13.194 8.916 -6.290 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -14.486 10.898 -2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -13.818 12.094 -3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -15.540 11.652 -3.263 1.00 0.00 H new ATOM 39 N PRO A 3 -10.913 10.642 -5.387 1.00 0.00 N ATOM 40 CA PRO A 3 -9.675 9.948 -5.750 1.00 0.00 C ATOM 41 C PRO A 3 -9.921 8.491 -6.134 1.00 0.00 C ATOM 42 O PRO A 3 -11.058 8.008 -6.095 1.00 0.00 O ATOM 43 CB PRO A 3 -8.814 10.031 -4.480 1.00 0.00 C ATOM 44 CG PRO A 3 -9.512 10.997 -3.582 1.00 0.00 C ATOM 45 CD PRO A 3 -10.963 10.928 -3.949 1.00 0.00 C ATOM 0 HA PRO A 3 -9.202 10.400 -6.622 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.720 9.054 -4.006 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.805 10.371 -4.713 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.362 10.735 -2.535 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.123 12.006 -3.717 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.484 10.146 -3.397 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.480 11.864 -3.739 1.00 0.00 H new ATOM 53 N ASP A 4 -8.861 7.805 -6.531 1.00 0.00 N ATOM 54 CA ASP A 4 -8.935 6.385 -6.834 1.00 0.00 C ATOM 55 C ASP A 4 -7.593 5.743 -6.509 1.00 0.00 C ATOM 56 O ASP A 4 -6.751 5.534 -7.385 1.00 0.00 O ATOM 57 CB ASP A 4 -9.319 6.167 -8.299 1.00 0.00 C ATOM 58 CG ASP A 4 -9.602 4.718 -8.644 1.00 0.00 C ATOM 59 OD1 ASP A 4 -10.703 4.225 -8.314 1.00 0.00 O ATOM 60 OD2 ASP A 4 -8.756 4.080 -9.295 1.00 0.00 O ATOM 0 H ASP A 4 -7.934 8.212 -6.651 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.709 5.916 -6.226 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.201 6.765 -8.527 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.513 6.532 -8.935 1.00 0.00 H new ATOM 65 N LEU A 5 -7.380 5.517 -5.222 1.00 0.00 N ATOM 66 CA LEU A 5 -6.132 4.973 -4.714 1.00 0.00 C ATOM 67 C LEU A 5 -6.033 3.486 -4.999 1.00 0.00 C ATOM 68 O LEU A 5 -6.742 2.672 -4.406 1.00 0.00 O ATOM 69 CB LEU A 5 -6.020 5.226 -3.209 1.00 0.00 C ATOM 70 CG LEU A 5 -6.110 6.695 -2.790 1.00 0.00 C ATOM 71 CD1 LEU A 5 -6.035 6.826 -1.279 1.00 0.00 C ATOM 72 CD2 LEU A 5 -5.007 7.505 -3.447 1.00 0.00 C ATOM 0 H LEU A 5 -8.072 5.707 -4.497 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.310 5.476 -5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.810 4.671 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.071 4.821 -2.858 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.071 7.087 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.101 7.878 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.861 6.279 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.089 6.416 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.087 8.547 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.037 7.110 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.104 7.440 -4.531 1.00 0.00 H new ATOM 84 N VAL A 6 -5.143 3.138 -5.908 1.00 0.00 N ATOM 85 CA VAL A 6 -4.959 1.757 -6.308 1.00 0.00 C ATOM 86 C VAL A 6 -3.541 1.303 -5.996 1.00 0.00 C ATOM 87 O VAL A 6 -2.572 1.895 -6.477 1.00 0.00 O ATOM 88 CB VAL A 6 -5.225 1.565 -7.818 1.00 0.00 C ATOM 89 CG1 VAL A 6 -5.188 0.089 -8.192 1.00 0.00 C ATOM 90 CG2 VAL A 6 -6.556 2.187 -8.213 1.00 0.00 C ATOM 0 H VAL A 6 -4.531 3.799 -6.387 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.675 1.157 -5.747 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.434 2.074 -8.369 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.378 -0.021 -9.260 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.207 -0.322 -7.954 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.953 -0.448 -7.630 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.724 2.041 -9.280 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.360 1.713 -7.651 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.539 3.254 -7.992 1.00 0.00 H new ATOM 100 N PRO A 7 -3.393 0.264 -5.169 1.00 0.00 N ATOM 101 CA PRO A 7 -2.101 -0.350 -4.932 1.00 0.00 C ATOM 102 C PRO A 7 -1.691 -1.169 -6.147 1.00 0.00 C ATOM 103 O PRO A 7 -2.305 -2.190 -6.464 1.00 0.00 O ATOM 104 CB PRO A 7 -2.315 -1.237 -3.700 1.00 0.00 C ATOM 105 CG PRO A 7 -3.726 -1.004 -3.253 1.00 0.00 C ATOM 106 CD PRO A 7 -4.460 -0.396 -4.413 1.00 0.00 C ATOM 0 HA PRO A 7 -1.305 0.375 -4.766 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.153 -2.287 -3.944 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.610 -0.981 -2.909 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.194 -1.940 -2.949 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.752 -0.340 -2.389 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.969 -1.153 -5.010 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.219 0.313 -4.083 1.00 0.00 H new ATOM 114 N VAL A 8 -0.670 -0.696 -6.834 1.00 0.00 N ATOM 115 CA VAL A 8 -0.306 -1.223 -8.138 1.00 0.00 C ATOM 116 C VAL A 8 0.500 -2.507 -8.014 1.00 0.00 C ATOM 117 O VAL A 8 0.105 -3.550 -8.536 1.00 0.00 O ATOM 118 CB VAL A 8 0.513 -0.188 -8.936 1.00 0.00 C ATOM 119 CG1 VAL A 8 0.589 -0.567 -10.402 1.00 0.00 C ATOM 120 CG2 VAL A 8 -0.078 1.200 -8.776 1.00 0.00 C ATOM 0 H VAL A 8 -0.070 0.062 -6.507 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.234 -1.440 -8.667 1.00 0.00 H new ATOM 0 HB VAL A 8 1.527 -0.181 -8.535 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.172 0.180 -10.941 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.067 -1.542 -10.502 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.417 -0.612 -10.819 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.514 1.916 -9.347 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.104 1.203 -9.144 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.069 1.480 -7.723 1.00 0.00 H new ATOM 130 N SER A 9 1.620 -2.430 -7.314 1.00 0.00 N ATOM 131 CA SER A 9 2.524 -3.560 -7.210 1.00 0.00 C ATOM 132 C SER A 9 3.173 -3.603 -5.833 1.00 0.00 C ATOM 133 O SER A 9 3.093 -2.638 -5.065 1.00 0.00 O ATOM 134 CB SER A 9 3.590 -3.474 -8.309 1.00 0.00 C ATOM 135 OG SER A 9 4.441 -4.607 -8.300 1.00 0.00 O ATOM 0 H SER A 9 1.923 -1.597 -6.810 1.00 0.00 H new ATOM 0 HA SER A 9 1.955 -4.481 -7.342 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.105 -3.390 -9.281 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.184 -2.571 -8.170 1.00 0.00 H new ATOM 0 HG SER A 9 5.107 -4.521 -9.013 1.00 0.00 H new ATOM 141 N LEU A 10 3.809 -4.724 -5.533 1.00 0.00 N ATOM 142 CA LEU A 10 4.434 -4.945 -4.241 1.00 0.00 C ATOM 143 C LEU A 10 5.784 -5.629 -4.421 1.00 0.00 C ATOM 144 O LEU A 10 5.858 -6.767 -4.889 1.00 0.00 O ATOM 145 CB LEU A 10 3.512 -5.793 -3.360 1.00 0.00 C ATOM 146 CG LEU A 10 4.094 -6.237 -2.017 1.00 0.00 C ATOM 147 CD1 LEU A 10 4.435 -5.040 -1.142 1.00 0.00 C ATOM 148 CD2 LEU A 10 3.115 -7.152 -1.305 1.00 0.00 C ATOM 0 H LEU A 10 3.906 -5.507 -6.180 1.00 0.00 H new ATOM 0 HA LEU A 10 4.600 -3.985 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.601 -5.226 -3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.223 -6.682 -3.920 1.00 0.00 H new ATOM 0 HG LEU A 10 5.018 -6.783 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.847 -5.387 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.170 -4.416 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.533 -4.458 -0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.537 -7.464 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.180 -6.620 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.924 -8.031 -1.921 1.00 0.00 H new ATOM 160 N THR A 11 6.844 -4.922 -4.066 1.00 0.00 N ATOM 161 CA THR A 11 8.196 -5.440 -4.186 1.00 0.00 C ATOM 162 C THR A 11 8.925 -5.358 -2.847 1.00 0.00 C ATOM 163 O THR A 11 8.536 -4.586 -1.980 1.00 0.00 O ATOM 164 CB THR A 11 8.983 -4.662 -5.261 1.00 0.00 C ATOM 165 OG1 THR A 11 8.654 -3.265 -5.194 1.00 0.00 O ATOM 166 CG2 THR A 11 8.679 -5.197 -6.653 1.00 0.00 C ATOM 0 H THR A 11 6.792 -3.976 -3.688 1.00 0.00 H new ATOM 0 HA THR A 11 8.131 -6.486 -4.487 1.00 0.00 H new ATOM 0 HB THR A 11 10.047 -4.794 -5.067 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.158 -2.777 -5.878 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.246 -4.631 -7.392 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.959 -6.249 -6.708 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.613 -5.094 -6.858 1.00 0.00 H new ATOM 174 N PRO A 12 9.974 -6.167 -2.640 1.00 0.00 N ATOM 175 CA PRO A 12 10.415 -7.177 -3.605 1.00 0.00 C ATOM 176 C PRO A 12 9.459 -8.364 -3.662 1.00 0.00 C ATOM 177 O PRO A 12 8.687 -8.596 -2.731 1.00 0.00 O ATOM 178 CB PRO A 12 11.779 -7.608 -3.062 1.00 0.00 C ATOM 179 CG PRO A 12 11.697 -7.357 -1.597 1.00 0.00 C ATOM 180 CD PRO A 12 10.822 -6.148 -1.434 1.00 0.00 C ATOM 0 HA PRO A 12 10.453 -6.791 -4.623 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.976 -8.659 -3.274 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.586 -7.035 -3.518 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.276 -8.217 -1.077 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.687 -7.183 -1.175 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.225 -6.205 -0.524 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.411 -5.233 -1.372 1.00 0.00 H new ATOM 188 N VAL A 13 9.510 -9.113 -4.754 1.00 0.00 N ATOM 189 CA VAL A 13 8.627 -10.255 -4.926 1.00 0.00 C ATOM 190 C VAL A 13 9.137 -11.442 -4.119 1.00 0.00 C ATOM 191 O VAL A 13 8.394 -12.382 -3.825 1.00 0.00 O ATOM 192 CB VAL A 13 8.478 -10.649 -6.412 1.00 0.00 C ATOM 193 CG1 VAL A 13 7.926 -9.481 -7.214 1.00 0.00 C ATOM 194 CG2 VAL A 13 9.802 -11.123 -6.997 1.00 0.00 C ATOM 0 H VAL A 13 10.151 -8.951 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 13 7.642 -9.965 -4.560 1.00 0.00 H new ATOM 0 HB VAL A 13 7.775 -11.480 -6.471 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.826 -9.772 -8.260 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.949 -9.199 -6.821 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.607 -8.633 -7.137 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.662 -11.392 -8.044 1.00 0.00 H new ATOM 0 HG22 VAL A 13 10.539 -10.323 -6.924 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.154 -11.993 -6.443 1.00 0.00 H new ATOM 204 N THR A 14 10.415 -11.390 -3.775 1.00 0.00 N ATOM 205 CA THR A 14 11.023 -12.373 -2.922 1.00 0.00 C ATOM 206 C THR A 14 11.673 -11.691 -1.720 1.00 0.00 C ATOM 207 O THR A 14 12.424 -10.726 -1.881 1.00 0.00 O ATOM 208 CB THR A 14 12.082 -13.163 -3.697 1.00 0.00 C ATOM 209 OG1 THR A 14 12.925 -12.263 -4.429 1.00 0.00 O ATOM 210 CG2 THR A 14 11.441 -14.163 -4.648 1.00 0.00 C ATOM 0 H THR A 14 11.053 -10.658 -4.086 1.00 0.00 H new ATOM 0 HA THR A 14 10.250 -13.058 -2.574 1.00 0.00 H new ATOM 0 HB THR A 14 12.682 -13.719 -2.977 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.023 -11.426 -3.928 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.220 -14.707 -5.183 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.832 -14.866 -4.080 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.812 -13.633 -5.363 1.00 0.00 H new ATOM 218 N VAL A 15 11.388 -12.185 -0.527 1.00 0.00 N ATOM 219 CA VAL A 15 11.895 -11.582 0.697 1.00 0.00 C ATOM 220 C VAL A 15 12.883 -12.506 1.395 1.00 0.00 C ATOM 221 O VAL A 15 12.749 -13.727 1.340 1.00 0.00 O ATOM 222 CB VAL A 15 10.745 -11.232 1.663 1.00 0.00 C ATOM 223 CG1 VAL A 15 9.865 -10.150 1.064 1.00 0.00 C ATOM 224 CG2 VAL A 15 9.918 -12.469 1.992 1.00 0.00 C ATOM 0 H VAL A 15 10.804 -13.008 -0.378 1.00 0.00 H new ATOM 0 HA VAL A 15 12.410 -10.663 0.415 1.00 0.00 H new ATOM 0 HB VAL A 15 11.179 -10.857 2.590 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.057 -9.913 1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.461 -9.256 0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.444 -10.503 0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.113 -12.197 2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.494 -12.877 1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.555 -13.218 2.462 1.00 0.00 H new ATOM 234 N VAL A 16 13.878 -11.927 2.046 1.00 0.00 N ATOM 235 CA VAL A 16 14.927 -12.714 2.672 1.00 0.00 C ATOM 236 C VAL A 16 14.587 -13.017 4.127 1.00 0.00 C ATOM 237 O VAL A 16 14.528 -12.106 4.957 1.00 0.00 O ATOM 238 CB VAL A 16 16.288 -11.987 2.621 1.00 0.00 C ATOM 239 CG1 VAL A 16 17.412 -12.911 3.068 1.00 0.00 C ATOM 240 CG2 VAL A 16 16.560 -11.442 1.227 1.00 0.00 C ATOM 0 H VAL A 16 13.981 -10.918 2.155 1.00 0.00 H new ATOM 0 HA VAL A 16 14.999 -13.645 2.111 1.00 0.00 H new ATOM 0 HB VAL A 16 16.246 -11.144 3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.361 -12.377 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 16 17.228 -13.240 4.091 1.00 0.00 H new ATOM 0 HG13 VAL A 16 17.453 -13.779 2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.524 -10.934 1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 16 16.575 -12.264 0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 16 15.776 -10.737 0.953 1.00 0.00 H new ATOM 250 N PRO A 17 14.342 -14.293 4.455 1.00 0.00 N ATOM 251 CA PRO A 17 14.139 -14.720 5.832 1.00 0.00 C ATOM 252 C PRO A 17 15.458 -14.690 6.583 1.00 0.00 C ATOM 253 O PRO A 17 16.274 -15.606 6.466 1.00 0.00 O ATOM 254 CB PRO A 17 13.604 -16.155 5.718 1.00 0.00 C ATOM 255 CG PRO A 17 13.372 -16.391 4.259 1.00 0.00 C ATOM 256 CD PRO A 17 14.253 -15.422 3.523 1.00 0.00 C ATOM 0 HA PRO A 17 13.452 -14.074 6.379 1.00 0.00 H new ATOM 0 HB2 PRO A 17 14.320 -16.872 6.121 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.680 -16.274 6.285 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.616 -17.419 3.989 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.324 -16.234 4.003 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.233 -15.848 3.309 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.819 -15.125 2.568 1.00 0.00 H new ATOM 264 N ASN A 18 15.674 -13.611 7.318 1.00 0.00 N ATOM 265 CA ASN A 18 16.975 -13.329 7.906 1.00 0.00 C ATOM 266 C ASN A 18 16.889 -12.061 8.738 1.00 0.00 C ATOM 267 O ASN A 18 17.350 -12.007 9.876 1.00 0.00 O ATOM 268 CB ASN A 18 18.004 -13.149 6.778 1.00 0.00 C ATOM 269 CG ASN A 18 19.439 -12.985 7.251 1.00 0.00 C ATOM 270 OD1 ASN A 18 19.714 -12.448 8.323 1.00 0.00 O ATOM 271 ND2 ASN A 18 20.371 -13.446 6.433 1.00 0.00 N ATOM 0 H ASN A 18 14.960 -12.912 7.523 1.00 0.00 H new ATOM 0 HA ASN A 18 17.281 -14.154 8.549 1.00 0.00 H new ATOM 0 HB2 ASN A 18 17.950 -14.012 6.114 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.728 -12.275 6.188 1.00 0.00 H new ATOM 0 HD21 ASN A 18 21.356 -13.362 6.683 1.00 0.00 H new ATOM 0 HD22 ASN A 18 20.104 -13.886 5.552 1.00 0.00 H new ATOM 278 N THR A 19 16.266 -11.051 8.160 1.00 0.00 N ATOM 279 CA THR A 19 16.187 -9.746 8.784 1.00 0.00 C ATOM 280 C THR A 19 14.882 -9.054 8.384 1.00 0.00 C ATOM 281 O THR A 19 13.992 -9.682 7.801 1.00 0.00 O ATOM 282 CB THR A 19 17.404 -8.884 8.371 1.00 0.00 C ATOM 283 OG1 THR A 19 17.452 -7.671 9.136 1.00 0.00 O ATOM 284 CG2 THR A 19 17.363 -8.557 6.884 1.00 0.00 C ATOM 0 H THR A 19 15.804 -11.112 7.252 1.00 0.00 H new ATOM 0 HA THR A 19 16.200 -9.868 9.867 1.00 0.00 H new ATOM 0 HB THR A 19 18.304 -9.464 8.574 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.229 -7.141 8.861 1.00 0.00 H new ATOM 0 HG21 THR A 19 18.230 -7.950 6.621 1.00 0.00 H new ATOM 0 HG22 THR A 19 17.379 -9.482 6.307 1.00 0.00 H new ATOM 0 HG23 THR A 19 16.451 -8.004 6.658 1.00 0.00 H new ATOM 292 N VAL A 20 14.767 -7.773 8.705 1.00 0.00 N ATOM 293 CA VAL A 20 13.606 -6.992 8.323 1.00 0.00 C ATOM 294 C VAL A 20 13.720 -6.579 6.863 1.00 0.00 C ATOM 295 O VAL A 20 14.739 -6.030 6.437 1.00 0.00 O ATOM 296 CB VAL A 20 13.440 -5.729 9.197 1.00 0.00 C ATOM 297 CG1 VAL A 20 12.160 -4.988 8.838 1.00 0.00 C ATOM 298 CG2 VAL A 20 13.450 -6.089 10.672 1.00 0.00 C ATOM 0 H VAL A 20 15.469 -7.253 9.232 1.00 0.00 H new ATOM 0 HA VAL A 20 12.728 -7.621 8.472 1.00 0.00 H new ATOM 0 HB VAL A 20 14.285 -5.069 9.000 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.064 -4.102 9.466 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.195 -4.688 7.791 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.303 -5.642 9.000 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.332 -5.184 11.268 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.629 -6.774 10.885 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.396 -6.568 10.923 1.00 0.00 H new ATOM 308 N ASN A 21 12.680 -6.851 6.103 1.00 0.00 N ATOM 309 CA ASN A 21 12.657 -6.516 4.695 1.00 0.00 C ATOM 310 C ASN A 21 11.811 -5.279 4.480 1.00 0.00 C ATOM 311 O ASN A 21 10.658 -5.220 4.914 1.00 0.00 O ATOM 312 CB ASN A 21 12.109 -7.686 3.871 1.00 0.00 C ATOM 313 CG ASN A 21 13.089 -8.841 3.769 1.00 0.00 C ATOM 314 OD1 ASN A 21 13.836 -8.956 2.797 1.00 0.00 O ATOM 315 ND2 ASN A 21 13.110 -9.694 4.781 1.00 0.00 N ATOM 0 H ASN A 21 11.833 -7.307 6.441 1.00 0.00 H new ATOM 0 HA ASN A 21 13.676 -6.315 4.364 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.182 -8.040 4.322 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.862 -7.335 2.869 1.00 0.00 H new ATOM 0 HD21 ASN A 21 13.761 -10.479 4.773 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.476 -9.566 5.569 1.00 0.00 H new ATOM 322 N THR A 22 12.390 -4.274 3.846 1.00 0.00 N ATOM 323 CA THR A 22 11.668 -3.055 3.554 1.00 0.00 C ATOM 324 C THR A 22 10.800 -3.266 2.319 1.00 0.00 C ATOM 325 O THR A 22 11.300 -3.312 1.196 1.00 0.00 O ATOM 326 CB THR A 22 12.637 -1.879 3.332 1.00 0.00 C ATOM 327 OG1 THR A 22 13.702 -1.945 4.295 1.00 0.00 O ATOM 328 CG2 THR A 22 11.913 -0.549 3.472 1.00 0.00 C ATOM 0 H THR A 22 13.358 -4.281 3.525 1.00 0.00 H new ATOM 0 HA THR A 22 11.035 -2.809 4.406 1.00 0.00 H new ATOM 0 HB THR A 22 13.043 -1.951 2.323 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.319 -1.197 4.152 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.617 0.267 3.311 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.114 -0.490 2.733 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.488 -0.470 4.473 1.00 0.00 H new ATOM 336 N MET A 23 9.505 -3.432 2.538 1.00 0.00 N ATOM 337 CA MET A 23 8.585 -3.755 1.459 1.00 0.00 C ATOM 338 C MET A 23 8.074 -2.492 0.793 1.00 0.00 C ATOM 339 O MET A 23 7.662 -1.553 1.466 1.00 0.00 O ATOM 340 CB MET A 23 7.413 -4.584 1.979 1.00 0.00 C ATOM 341 CG MET A 23 7.836 -5.904 2.601 1.00 0.00 C ATOM 342 SD MET A 23 8.740 -6.955 1.449 1.00 0.00 S ATOM 343 CE MET A 23 7.496 -7.238 0.190 1.00 0.00 C ATOM 0 H MET A 23 9.067 -3.348 3.455 1.00 0.00 H new ATOM 0 HA MET A 23 9.128 -4.344 0.719 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.866 -4.001 2.720 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.725 -4.782 1.157 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.459 -5.707 3.473 1.00 0.00 H new ATOM 0 HG3 MET A 23 6.952 -6.435 2.954 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.679 -8.198 -0.293 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.508 -7.246 0.650 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.543 -6.442 -0.554 1.00 0.00 H new ATOM 353 N THR A 24 8.100 -2.489 -0.524 1.00 0.00 N ATOM 354 CA THR A 24 7.693 -1.344 -1.308 1.00 0.00 C ATOM 355 C THR A 24 6.333 -1.586 -1.956 1.00 0.00 C ATOM 356 O THR A 24 6.200 -2.406 -2.868 1.00 0.00 O ATOM 357 CB THR A 24 8.730 -1.042 -2.406 1.00 0.00 C ATOM 358 OG1 THR A 24 10.031 -0.887 -1.819 1.00 0.00 O ATOM 359 CG2 THR A 24 8.360 0.218 -3.174 1.00 0.00 C ATOM 0 H THR A 24 8.406 -3.286 -1.082 1.00 0.00 H new ATOM 0 HA THR A 24 7.621 -0.490 -0.634 1.00 0.00 H new ATOM 0 HB THR A 24 8.742 -1.879 -3.104 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.687 -0.697 -2.522 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.109 0.408 -3.943 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.384 0.086 -3.642 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.321 1.064 -2.488 1.00 0.00 H new ATOM 367 N ALA A 25 5.324 -0.885 -1.467 1.00 0.00 N ATOM 368 CA ALA A 25 4.004 -0.940 -2.062 1.00 0.00 C ATOM 369 C ALA A 25 3.769 0.307 -2.896 1.00 0.00 C ATOM 370 O ALA A 25 3.685 1.412 -2.365 1.00 0.00 O ATOM 371 CB ALA A 25 2.934 -1.080 -0.991 1.00 0.00 C ATOM 0 H ALA A 25 5.397 -0.270 -0.657 1.00 0.00 H new ATOM 0 HA ALA A 25 3.944 -1.816 -2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.951 -1.119 -1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.103 -1.997 -0.426 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.980 -0.225 -0.317 1.00 0.00 H new ATOM 377 N THR A 26 3.688 0.134 -4.198 1.00 0.00 N ATOM 378 CA THR A 26 3.508 1.253 -5.101 1.00 0.00 C ATOM 379 C THR A 26 2.031 1.618 -5.194 1.00 0.00 C ATOM 380 O THR A 26 1.240 0.894 -5.796 1.00 0.00 O ATOM 381 CB THR A 26 4.057 0.923 -6.503 1.00 0.00 C ATOM 382 OG1 THR A 26 5.390 0.403 -6.391 1.00 0.00 O ATOM 383 CG2 THR A 26 4.069 2.161 -7.389 1.00 0.00 C ATOM 0 H THR A 26 3.744 -0.775 -4.657 1.00 0.00 H new ATOM 0 HA THR A 26 4.064 2.103 -4.706 1.00 0.00 H new ATOM 0 HB THR A 26 3.406 0.177 -6.958 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.003 1.126 -6.143 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.461 1.901 -8.372 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.054 2.544 -7.493 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.701 2.926 -6.937 1.00 0.00 H new ATOM 391 N ILE A 27 1.658 2.719 -4.562 1.00 0.00 N ATOM 392 CA ILE A 27 0.275 3.169 -4.568 1.00 0.00 C ATOM 393 C ILE A 27 0.104 4.285 -5.586 1.00 0.00 C ATOM 394 O ILE A 27 0.772 5.315 -5.500 1.00 0.00 O ATOM 395 CB ILE A 27 -0.161 3.683 -3.177 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.280 2.715 -2.072 1.00 0.00 C ATOM 397 CG2 ILE A 27 -1.670 3.887 -3.134 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.274 1.313 -2.214 1.00 0.00 C ATOM 0 H ILE A 27 2.295 3.319 -4.037 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.351 2.317 -4.832 1.00 0.00 H new ATOM 0 HB ILE A 27 0.326 4.642 -3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.369 2.664 -2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.028 3.119 -1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.960 4.249 -2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.960 4.618 -3.889 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.171 2.940 -3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.087 0.694 -1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.363 1.348 -2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.055 0.886 -3.161 1.00 0.00 H new ATOM 410 N GLU A 28 -0.773 4.082 -6.554 1.00 0.00 N ATOM 411 CA GLU A 28 -0.999 5.078 -7.585 1.00 0.00 C ATOM 412 C GLU A 28 -2.403 5.652 -7.458 1.00 0.00 C ATOM 413 O GLU A 28 -3.367 4.912 -7.261 1.00 0.00 O ATOM 414 CB GLU A 28 -0.809 4.461 -8.970 1.00 0.00 C ATOM 415 CG GLU A 28 -0.674 5.483 -10.083 1.00 0.00 C ATOM 416 CD GLU A 28 -0.577 4.846 -11.451 1.00 0.00 C ATOM 417 OE1 GLU A 28 0.360 4.057 -11.683 1.00 0.00 O ATOM 418 OE2 GLU A 28 -1.445 5.125 -12.302 1.00 0.00 O ATOM 0 H GLU A 28 -1.339 3.238 -6.647 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.274 5.882 -7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.081 3.831 -8.958 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.657 3.811 -9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.532 6.155 -10.060 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.213 6.092 -9.906 1.00 0.00 H new ATOM 425 N ASN A 29 -2.514 6.966 -7.551 1.00 0.00 N ATOM 426 CA ASN A 29 -3.815 7.617 -7.490 1.00 0.00 C ATOM 427 C ASN A 29 -4.347 7.836 -8.894 1.00 0.00 C ATOM 428 O ASN A 29 -3.852 8.687 -9.636 1.00 0.00 O ATOM 429 CB ASN A 29 -3.735 8.944 -6.734 1.00 0.00 C ATOM 430 CG ASN A 29 -5.075 9.655 -6.657 1.00 0.00 C ATOM 431 OD1 ASN A 29 -6.136 9.032 -6.712 1.00 0.00 O ATOM 432 ND2 ASN A 29 -5.031 10.968 -6.510 1.00 0.00 N ATOM 0 H ASN A 29 -1.725 7.602 -7.668 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.500 6.967 -6.946 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.367 8.761 -5.725 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.011 9.594 -7.225 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.897 11.502 -6.438 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.131 11.447 -6.469 1.00 0.00 H new ATOM 439 N GLN A 30 -5.343 7.050 -9.255 1.00 0.00 N ATOM 440 CA GLN A 30 -5.893 7.077 -10.598 1.00 0.00 C ATOM 441 C GLN A 30 -7.326 7.589 -10.570 1.00 0.00 C ATOM 442 O GLN A 30 -8.241 6.931 -11.070 1.00 0.00 O ATOM 443 CB GLN A 30 -5.848 5.671 -11.201 1.00 0.00 C ATOM 444 CG GLN A 30 -4.486 5.006 -11.097 1.00 0.00 C ATOM 445 CD GLN A 30 -4.464 3.609 -11.685 1.00 0.00 C ATOM 446 OE1 GLN A 30 -5.475 2.912 -11.705 1.00 0.00 O ATOM 447 NE2 GLN A 30 -3.309 3.192 -12.170 1.00 0.00 N ATOM 0 H GLN A 30 -5.792 6.379 -8.631 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.296 7.750 -11.214 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.587 5.046 -10.699 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.137 5.726 -12.251 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.747 5.622 -11.609 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.190 4.958 -10.049 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.491 3.801 -12.135 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.234 2.261 -12.580 1.00 0.00 H new ATOM 456 N GLY A 31 -7.517 8.785 -10.027 1.00 0.00 N ATOM 457 CA GLY A 31 -8.856 9.303 -9.852 1.00 0.00 C ATOM 458 C GLY A 31 -8.932 10.797 -10.074 1.00 0.00 C ATOM 459 O GLY A 31 -8.003 11.394 -10.610 1.00 0.00 O ATOM 0 H GLY A 31 -6.770 9.402 -9.707 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.530 8.801 -10.546 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.204 9.070 -8.845 1.00 0.00 H new ATOM 463 N ASN A 32 -10.035 11.402 -9.655 1.00 0.00 N ATOM 464 CA ASN A 32 -10.333 12.791 -10.009 1.00 0.00 C ATOM 465 C ASN A 32 -9.842 13.782 -8.960 1.00 0.00 C ATOM 466 O ASN A 32 -10.086 14.982 -9.082 1.00 0.00 O ATOM 467 CB ASN A 32 -11.842 12.982 -10.207 1.00 0.00 C ATOM 468 CG ASN A 32 -12.369 12.415 -11.515 1.00 0.00 C ATOM 469 OD1 ASN A 32 -13.342 12.926 -12.072 1.00 0.00 O ATOM 470 ND2 ASN A 32 -11.748 11.359 -12.010 1.00 0.00 N ATOM 0 H ASN A 32 -10.741 10.956 -9.069 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.801 12.993 -10.939 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -12.370 12.509 -9.379 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -12.072 14.047 -10.165 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -12.071 10.939 -12.882 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -10.945 10.963 -11.520 1.00 0.00 H new ATOM 477 N LYS A 33 -9.158 13.306 -7.934 1.00 0.00 N ATOM 478 CA LYS A 33 -8.701 14.193 -6.873 1.00 0.00 C ATOM 479 C LYS A 33 -7.488 13.607 -6.164 1.00 0.00 C ATOM 480 O LYS A 33 -7.327 12.389 -6.107 1.00 0.00 O ATOM 481 CB LYS A 33 -9.838 14.435 -5.871 1.00 0.00 C ATOM 482 CG LYS A 33 -9.565 15.557 -4.882 1.00 0.00 C ATOM 483 CD LYS A 33 -10.767 15.812 -3.990 1.00 0.00 C ATOM 484 CE LYS A 33 -10.562 17.027 -3.096 1.00 0.00 C ATOM 485 NZ LYS A 33 -9.480 16.822 -2.098 1.00 0.00 N ATOM 0 H LYS A 33 -8.908 12.325 -7.811 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.408 15.144 -7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.750 14.664 -6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.022 13.514 -5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.702 15.301 -4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.312 16.468 -5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.653 15.961 -4.608 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.953 14.934 -3.372 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.323 17.893 -3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.493 17.253 -2.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.391 17.670 -1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.710 16.003 -1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.581 16.649 -2.591 1.00 0.00 H new ATOM 499 N ASP A 34 -6.629 14.479 -5.652 1.00 0.00 N ATOM 500 CA ASP A 34 -5.474 14.058 -4.867 1.00 0.00 C ATOM 501 C ASP A 34 -5.936 13.597 -3.493 1.00 0.00 C ATOM 502 O ASP A 34 -6.897 14.140 -2.946 1.00 0.00 O ATOM 503 CB ASP A 34 -4.480 15.212 -4.699 1.00 0.00 C ATOM 504 CG ASP A 34 -4.098 15.865 -6.011 1.00 0.00 C ATOM 505 OD1 ASP A 34 -4.906 16.657 -6.538 1.00 0.00 O ATOM 506 OD2 ASP A 34 -2.986 15.603 -6.514 1.00 0.00 O ATOM 0 H ASP A 34 -6.711 15.489 -5.767 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.980 13.241 -5.392 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.914 15.963 -4.039 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.580 14.840 -4.210 1.00 0.00 H new ATOM 511 N SER A 35 -5.260 12.616 -2.929 1.00 0.00 N ATOM 512 CA SER A 35 -5.641 12.103 -1.626 1.00 0.00 C ATOM 513 C SER A 35 -4.862 12.803 -0.520 1.00 0.00 C ATOM 514 O SER A 35 -3.723 13.237 -0.720 1.00 0.00 O ATOM 515 CB SER A 35 -5.413 10.595 -1.566 1.00 0.00 C ATOM 516 OG SER A 35 -4.088 10.265 -1.943 1.00 0.00 O ATOM 0 H SER A 35 -4.449 12.160 -3.348 1.00 0.00 H new ATOM 0 HA SER A 35 -6.701 12.304 -1.474 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.608 10.234 -0.556 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.119 10.091 -2.226 1.00 0.00 H new ATOM 0 HG SER A 35 -3.771 9.514 -1.400 1.00 0.00 H new ATOM 522 N THR A 36 -5.487 12.930 0.638 1.00 0.00 N ATOM 523 CA THR A 36 -4.842 13.519 1.795 1.00 0.00 C ATOM 524 C THR A 36 -4.058 12.448 2.555 1.00 0.00 C ATOM 525 O THR A 36 -3.710 11.414 1.980 1.00 0.00 O ATOM 526 CB THR A 36 -5.890 14.184 2.709 1.00 0.00 C ATOM 527 OG1 THR A 36 -6.930 13.250 3.032 1.00 0.00 O ATOM 528 CG2 THR A 36 -6.492 15.402 2.027 1.00 0.00 C ATOM 0 H THR A 36 -6.448 12.630 0.801 1.00 0.00 H new ATOM 0 HA THR A 36 -4.145 14.288 1.463 1.00 0.00 H new ATOM 0 HB THR A 36 -5.394 14.500 3.627 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.589 13.683 3.614 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.230 15.860 2.685 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.704 16.123 1.808 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.974 15.098 1.098 1.00 0.00 H new ATOM 536 N SER A 37 -3.771 12.686 3.826 1.00 0.00 N ATOM 537 CA SER A 37 -3.034 11.724 4.625 1.00 0.00 C ATOM 538 C SER A 37 -3.892 10.493 4.893 1.00 0.00 C ATOM 539 O SER A 37 -4.849 10.549 5.664 1.00 0.00 O ATOM 540 CB SER A 37 -2.583 12.360 5.943 1.00 0.00 C ATOM 541 OG SER A 37 -1.820 11.454 6.724 1.00 0.00 O ATOM 0 H SER A 37 -4.037 13.536 4.324 1.00 0.00 H new ATOM 0 HA SER A 37 -2.148 11.415 4.070 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.990 13.250 5.734 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.456 12.684 6.509 1.00 0.00 H new ATOM 0 HG SER A 37 -1.546 11.891 7.558 1.00 0.00 H new ATOM 547 N PHE A 38 -3.555 9.387 4.245 1.00 0.00 N ATOM 548 CA PHE A 38 -4.298 8.151 4.427 1.00 0.00 C ATOM 549 C PHE A 38 -3.388 7.082 5.002 1.00 0.00 C ATOM 550 O PHE A 38 -2.217 6.977 4.633 1.00 0.00 O ATOM 551 CB PHE A 38 -4.934 7.677 3.111 1.00 0.00 C ATOM 552 CG PHE A 38 -3.957 7.336 2.017 1.00 0.00 C ATOM 553 CD1 PHE A 38 -3.496 8.313 1.150 1.00 0.00 C ATOM 554 CD2 PHE A 38 -3.514 6.033 1.848 1.00 0.00 C ATOM 555 CE1 PHE A 38 -2.611 7.999 0.137 1.00 0.00 C ATOM 556 CE2 PHE A 38 -2.630 5.713 0.836 1.00 0.00 C ATOM 557 CZ PHE A 38 -2.178 6.696 -0.020 1.00 0.00 C ATOM 0 H PHE A 38 -2.775 9.321 3.591 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.110 8.341 5.129 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.546 6.799 3.317 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.605 8.456 2.748 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.833 9.332 1.267 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.864 5.259 2.515 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.258 8.770 -0.531 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.293 4.694 0.715 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.487 6.448 -0.812 1.00 0.00 H new ATOM 567 N ASN A 39 -3.923 6.300 5.915 1.00 0.00 N ATOM 568 CA ASN A 39 -3.138 5.284 6.586 1.00 0.00 C ATOM 569 C ASN A 39 -3.218 3.973 5.814 1.00 0.00 C ATOM 570 O ASN A 39 -4.305 3.504 5.484 1.00 0.00 O ATOM 571 CB ASN A 39 -3.640 5.108 8.018 1.00 0.00 C ATOM 572 CG ASN A 39 -2.690 4.303 8.876 1.00 0.00 C ATOM 573 OD1 ASN A 39 -1.482 4.278 8.631 1.00 0.00 O ATOM 574 ND2 ASN A 39 -3.224 3.666 9.901 1.00 0.00 N ATOM 0 H ASN A 39 -4.898 6.348 6.210 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.094 5.594 6.623 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.788 6.089 8.470 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.612 4.615 8.000 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.631 3.124 10.530 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.230 3.715 10.064 1.00 0.00 H new ATOM 581 N VAL A 40 -2.068 3.393 5.515 1.00 0.00 N ATOM 582 CA VAL A 40 -2.015 2.195 4.699 1.00 0.00 C ATOM 583 C VAL A 40 -1.443 1.037 5.520 1.00 0.00 C ATOM 584 O VAL A 40 -0.493 1.210 6.285 1.00 0.00 O ATOM 585 CB VAL A 40 -1.191 2.452 3.409 1.00 0.00 C ATOM 586 CG1 VAL A 40 0.251 1.997 3.539 1.00 0.00 C ATOM 587 CG2 VAL A 40 -1.854 1.813 2.206 1.00 0.00 C ATOM 0 H VAL A 40 -1.158 3.734 5.826 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.023 1.922 4.388 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.169 3.531 3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.782 2.200 2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.731 2.536 4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.278 0.927 3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.257 2.008 1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.932 0.737 2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.851 2.234 2.074 1.00 0.00 H new ATOM 597 N SER A 41 -2.050 -0.128 5.395 1.00 0.00 N ATOM 598 CA SER A 41 -1.685 -1.260 6.228 1.00 0.00 C ATOM 599 C SER A 41 -1.305 -2.470 5.382 1.00 0.00 C ATOM 600 O SER A 41 -1.984 -2.790 4.404 1.00 0.00 O ATOM 601 CB SER A 41 -2.853 -1.607 7.152 1.00 0.00 C ATOM 602 OG SER A 41 -3.244 -0.480 7.920 1.00 0.00 O ATOM 0 H SER A 41 -2.797 -0.316 4.726 1.00 0.00 H new ATOM 0 HA SER A 41 -0.814 -0.986 6.824 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.698 -1.959 6.560 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.567 -2.423 7.816 1.00 0.00 H new ATOM 0 HG SER A 41 -3.993 -0.725 8.502 1.00 0.00 H new ATOM 608 N LEU A 42 -0.215 -3.131 5.754 1.00 0.00 N ATOM 609 CA LEU A 42 0.196 -4.354 5.082 1.00 0.00 C ATOM 610 C LEU A 42 -0.249 -5.566 5.882 1.00 0.00 C ATOM 611 O LEU A 42 0.235 -5.810 6.991 1.00 0.00 O ATOM 612 CB LEU A 42 1.712 -4.400 4.884 1.00 0.00 C ATOM 613 CG LEU A 42 2.220 -5.650 4.160 1.00 0.00 C ATOM 614 CD1 LEU A 42 1.694 -5.696 2.733 1.00 0.00 C ATOM 615 CD2 LEU A 42 3.739 -5.700 4.170 1.00 0.00 C ATOM 0 H LEU A 42 0.398 -2.840 6.516 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.279 -4.368 4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.019 -3.519 4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.195 -4.339 5.859 1.00 0.00 H new ATOM 0 HG LEU A 42 1.846 -6.525 4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.067 -6.592 2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.604 -5.716 2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.034 -4.813 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.077 -6.596 3.650 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.135 -4.818 3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.096 -5.722 5.200 1.00 0.00 H new ATOM 627 N LEU A 43 -1.174 -6.315 5.319 1.00 0.00 N ATOM 628 CA LEU A 43 -1.683 -7.506 5.962 1.00 0.00 C ATOM 629 C LEU A 43 -0.965 -8.741 5.444 1.00 0.00 C ATOM 630 O LEU A 43 -0.989 -9.028 4.252 1.00 0.00 O ATOM 631 CB LEU A 43 -3.188 -7.656 5.726 1.00 0.00 C ATOM 632 CG LEU A 43 -4.055 -6.512 6.250 1.00 0.00 C ATOM 633 CD1 LEU A 43 -4.256 -5.444 5.187 1.00 0.00 C ATOM 634 CD2 LEU A 43 -5.388 -7.054 6.728 1.00 0.00 C ATOM 0 H LEU A 43 -1.591 -6.117 4.410 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.502 -7.407 7.032 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.361 -7.758 4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.520 -8.583 6.193 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.542 -6.045 7.091 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.877 -4.643 5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.288 -5.039 4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.747 -5.883 4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.002 -6.234 7.100 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.900 -7.543 5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.222 -7.775 7.528 1.00 0.00 H new ATOM 646 N VAL A 44 -0.318 -9.457 6.340 1.00 0.00 N ATOM 647 CA VAL A 44 0.301 -10.721 5.997 1.00 0.00 C ATOM 648 C VAL A 44 -0.564 -11.855 6.516 1.00 0.00 C ATOM 649 O VAL A 44 -0.675 -12.050 7.732 1.00 0.00 O ATOM 650 CB VAL A 44 1.730 -10.845 6.567 1.00 0.00 C ATOM 651 CG1 VAL A 44 2.292 -12.241 6.336 1.00 0.00 C ATOM 652 CG2 VAL A 44 2.638 -9.804 5.939 1.00 0.00 C ATOM 0 H VAL A 44 -0.207 -9.184 7.316 1.00 0.00 H new ATOM 0 HA VAL A 44 0.383 -10.773 4.911 1.00 0.00 H new ATOM 0 HB VAL A 44 1.682 -10.672 7.642 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.300 -12.300 6.747 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.655 -12.976 6.829 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.324 -12.448 5.266 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.643 -9.902 6.350 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.671 -9.953 4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.253 -8.807 6.156 1.00 0.00 H new ATOM 662 N ASP A 45 -1.206 -12.558 5.583 1.00 0.00 N ATOM 663 CA ASP A 45 -2.093 -13.681 5.894 1.00 0.00 C ATOM 664 C ASP A 45 -3.419 -13.181 6.466 1.00 0.00 C ATOM 665 O ASP A 45 -4.466 -13.312 5.833 1.00 0.00 O ATOM 666 CB ASP A 45 -1.411 -14.669 6.853 1.00 0.00 C ATOM 667 CG ASP A 45 -2.242 -15.905 7.124 1.00 0.00 C ATOM 668 OD1 ASP A 45 -3.082 -15.875 8.047 1.00 0.00 O ATOM 669 OD2 ASP A 45 -2.037 -16.923 6.431 1.00 0.00 O ATOM 0 H ASP A 45 -1.126 -12.364 4.585 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.307 -14.213 4.967 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.451 -14.969 6.433 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.203 -14.165 7.797 1.00 0.00 H new ATOM 674 N GLY A 46 -3.359 -12.588 7.645 1.00 0.00 N ATOM 675 CA GLY A 46 -4.550 -12.055 8.278 1.00 0.00 C ATOM 676 C GLY A 46 -4.232 -11.068 9.386 1.00 0.00 C ATOM 677 O GLY A 46 -5.102 -10.721 10.188 1.00 0.00 O ATOM 0 H GLY A 46 -2.500 -12.464 8.181 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.168 -11.564 7.526 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.138 -12.877 8.687 1.00 0.00 H new ATOM 681 N ILE A 47 -2.985 -10.610 9.437 1.00 0.00 N ATOM 682 CA ILE A 47 -2.556 -9.671 10.466 1.00 0.00 C ATOM 683 C ILE A 47 -1.816 -8.509 9.822 1.00 0.00 C ATOM 684 O ILE A 47 -1.179 -8.672 8.782 1.00 0.00 O ATOM 685 CB ILE A 47 -1.613 -10.328 11.500 1.00 0.00 C ATOM 686 CG1 ILE A 47 -2.110 -11.722 11.894 1.00 0.00 C ATOM 687 CG2 ILE A 47 -1.485 -9.451 12.739 1.00 0.00 C ATOM 688 CD1 ILE A 47 -1.164 -12.466 12.813 1.00 0.00 C ATOM 0 H ILE A 47 -2.254 -10.875 8.777 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.454 -9.330 10.981 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.632 -10.432 11.037 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.079 -11.628 12.383 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.265 -12.312 10.991 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.818 -9.929 13.456 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.079 -8.480 12.457 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.467 -9.316 13.192 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.581 -13.445 13.050 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.201 -12.592 12.319 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.028 -11.897 13.733 1.00 0.00 H new ATOM 700 N VAL A 48 -1.882 -7.350 10.445 1.00 0.00 N ATOM 701 CA VAL A 48 -1.206 -6.173 9.929 1.00 0.00 C ATOM 702 C VAL A 48 0.173 -6.058 10.564 1.00 0.00 C ATOM 703 O VAL A 48 0.317 -5.518 11.662 1.00 0.00 O ATOM 704 CB VAL A 48 -2.006 -4.883 10.202 1.00 0.00 C ATOM 705 CG1 VAL A 48 -1.350 -3.696 9.519 1.00 0.00 C ATOM 706 CG2 VAL A 48 -3.449 -5.035 9.745 1.00 0.00 C ATOM 0 H VAL A 48 -2.398 -7.196 11.311 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.117 -6.288 8.849 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.009 -4.704 11.277 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.928 -2.794 9.722 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.337 -3.571 9.900 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.314 -3.869 8.443 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.994 -4.113 9.948 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.472 -5.242 8.675 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.917 -5.859 10.284 1.00 0.00 H new ATOM 716 N VAL A 49 1.177 -6.579 9.873 1.00 0.00 N ATOM 717 CA VAL A 49 2.527 -6.666 10.427 1.00 0.00 C ATOM 718 C VAL A 49 3.187 -5.295 10.537 1.00 0.00 C ATOM 719 O VAL A 49 4.053 -5.081 11.388 1.00 0.00 O ATOM 720 CB VAL A 49 3.425 -7.604 9.591 1.00 0.00 C ATOM 721 CG1 VAL A 49 2.879 -9.024 9.617 1.00 0.00 C ATOM 722 CG2 VAL A 49 3.557 -7.104 8.158 1.00 0.00 C ATOM 0 H VAL A 49 1.085 -6.949 8.927 1.00 0.00 H new ATOM 0 HA VAL A 49 2.420 -7.081 11.429 1.00 0.00 H new ATOM 0 HB VAL A 49 4.420 -7.607 10.036 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.523 -9.672 9.023 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.851 -9.384 10.645 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.872 -9.034 9.201 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.195 -7.784 7.593 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.571 -7.062 7.695 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.000 -6.108 8.159 1.00 0.00 H new ATOM 732 N ASP A 50 2.779 -4.370 9.679 1.00 0.00 N ATOM 733 CA ASP A 50 3.311 -3.016 9.715 1.00 0.00 C ATOM 734 C ASP A 50 2.338 -2.057 9.044 1.00 0.00 C ATOM 735 O ASP A 50 1.560 -2.457 8.170 1.00 0.00 O ATOM 736 CB ASP A 50 4.684 -2.956 9.040 1.00 0.00 C ATOM 737 CG ASP A 50 5.429 -1.672 9.351 1.00 0.00 C ATOM 738 OD1 ASP A 50 5.601 -1.356 10.549 1.00 0.00 O ATOM 739 OD2 ASP A 50 5.851 -0.981 8.407 1.00 0.00 O ATOM 0 H ASP A 50 2.083 -4.532 8.951 1.00 0.00 H new ATOM 0 HA ASP A 50 3.435 -2.716 10.756 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.282 -3.807 9.365 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.559 -3.047 7.961 1.00 0.00 H new ATOM 744 N THR A 51 2.376 -0.803 9.459 1.00 0.00 N ATOM 745 CA THR A 51 1.423 0.193 8.999 1.00 0.00 C ATOM 746 C THR A 51 2.130 1.521 8.737 1.00 0.00 C ATOM 747 O THR A 51 2.859 2.018 9.594 1.00 0.00 O ATOM 748 CB THR A 51 0.318 0.402 10.058 1.00 0.00 C ATOM 749 OG1 THR A 51 -0.241 -0.863 10.443 1.00 0.00 O ATOM 750 CG2 THR A 51 -0.787 1.297 9.529 1.00 0.00 C ATOM 0 H THR A 51 3.065 -0.447 10.122 1.00 0.00 H new ATOM 0 HA THR A 51 0.973 -0.163 8.072 1.00 0.00 H new ATOM 0 HB THR A 51 0.773 0.884 10.924 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.939 -0.721 11.116 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.550 1.426 10.297 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.372 2.269 9.264 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.234 0.840 8.646 1.00 0.00 H new ATOM 758 N GLN A 52 1.919 2.091 7.557 1.00 0.00 N ATOM 759 CA GLN A 52 2.529 3.365 7.218 1.00 0.00 C ATOM 760 C GLN A 52 1.464 4.341 6.742 1.00 0.00 C ATOM 761 O GLN A 52 0.624 4.002 5.913 1.00 0.00 O ATOM 762 CB GLN A 52 3.588 3.202 6.124 1.00 0.00 C ATOM 763 CG GLN A 52 4.491 4.419 5.987 1.00 0.00 C ATOM 764 CD GLN A 52 4.968 4.656 4.567 1.00 0.00 C ATOM 765 OE1 GLN A 52 6.002 4.139 4.145 1.00 0.00 O ATOM 766 NE2 GLN A 52 4.223 5.460 3.822 1.00 0.00 N ATOM 0 H GLN A 52 1.333 1.692 6.824 1.00 0.00 H new ATOM 0 HA GLN A 52 3.013 3.751 8.115 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.198 2.326 6.344 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.093 3.014 5.171 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.954 5.302 6.335 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.357 4.295 6.638 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.372 5.870 4.208 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.500 5.669 2.863 1.00 0.00 H new ATOM 775 N THR A 53 1.493 5.547 7.266 1.00 0.00 N ATOM 776 CA THR A 53 0.553 6.566 6.847 1.00 0.00 C ATOM 777 C THR A 53 1.154 7.391 5.710 1.00 0.00 C ATOM 778 O THR A 53 2.244 7.946 5.849 1.00 0.00 O ATOM 779 CB THR A 53 0.183 7.480 8.030 1.00 0.00 C ATOM 780 OG1 THR A 53 -0.189 6.672 9.156 1.00 0.00 O ATOM 781 CG2 THR A 53 -0.970 8.405 7.668 1.00 0.00 C ATOM 0 H THR A 53 2.155 5.846 7.982 1.00 0.00 H new ATOM 0 HA THR A 53 -0.355 6.079 6.492 1.00 0.00 H new ATOM 0 HB THR A 53 1.050 8.093 8.277 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.637 5.859 8.842 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.210 9.039 8.522 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.684 9.029 6.822 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.844 7.810 7.401 1.00 0.00 H new ATOM 789 N VAL A 54 0.464 7.435 4.576 1.00 0.00 N ATOM 790 CA VAL A 54 0.927 8.213 3.437 1.00 0.00 C ATOM 791 C VAL A 54 0.447 9.653 3.564 1.00 0.00 C ATOM 792 O VAL A 54 -0.741 9.900 3.764 1.00 0.00 O ATOM 793 CB VAL A 54 0.440 7.612 2.102 1.00 0.00 C ATOM 794 CG1 VAL A 54 0.928 8.438 0.919 1.00 0.00 C ATOM 795 CG2 VAL A 54 0.901 6.167 1.970 1.00 0.00 C ATOM 0 H VAL A 54 -0.416 6.942 4.423 1.00 0.00 H new ATOM 0 HA VAL A 54 2.017 8.189 3.436 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.650 7.632 2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.570 7.992 -0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.546 9.455 1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.018 8.459 0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.549 5.758 1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.990 6.128 2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.494 5.579 2.793 1.00 0.00 H new ATOM 805 N THR A 55 1.378 10.592 3.449 1.00 0.00 N ATOM 806 CA THR A 55 1.095 12.004 3.680 1.00 0.00 C ATOM 807 C THR A 55 0.066 12.555 2.688 1.00 0.00 C ATOM 808 O THR A 55 -0.867 13.257 3.078 1.00 0.00 O ATOM 809 CB THR A 55 2.389 12.833 3.587 1.00 0.00 C ATOM 810 OG1 THR A 55 3.417 12.209 4.369 1.00 0.00 O ATOM 811 CG2 THR A 55 2.165 14.254 4.083 1.00 0.00 C ATOM 0 H THR A 55 2.346 10.398 3.194 1.00 0.00 H new ATOM 0 HA THR A 55 0.675 12.085 4.683 1.00 0.00 H new ATOM 0 HB THR A 55 2.693 12.877 2.541 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.241 12.737 4.308 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.095 14.817 4.006 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.398 14.735 3.475 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.841 14.229 5.123 1.00 0.00 H new ATOM 819 N SER A 56 0.239 12.230 1.416 1.00 0.00 N ATOM 820 CA SER A 56 -0.640 12.725 0.363 1.00 0.00 C ATOM 821 C SER A 56 -0.206 12.145 -0.974 1.00 0.00 C ATOM 822 O SER A 56 0.961 12.264 -1.356 1.00 0.00 O ATOM 823 CB SER A 56 -0.600 14.261 0.305 1.00 0.00 C ATOM 824 OG SER A 56 -1.488 14.770 -0.680 1.00 0.00 O ATOM 0 H SER A 56 0.986 11.620 1.084 1.00 0.00 H new ATOM 0 HA SER A 56 -1.662 12.414 0.581 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.865 14.670 1.280 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.415 14.591 0.086 1.00 0.00 H new ATOM 0 HG SER A 56 -2.325 14.261 -0.660 1.00 0.00 H new ATOM 830 N LEU A 57 -1.129 11.511 -1.678 1.00 0.00 N ATOM 831 CA LEU A 57 -0.820 10.946 -2.978 1.00 0.00 C ATOM 832 C LEU A 57 -1.401 11.810 -4.088 1.00 0.00 C ATOM 833 O LEU A 57 -2.621 11.924 -4.247 1.00 0.00 O ATOM 834 CB LEU A 57 -1.323 9.504 -3.079 1.00 0.00 C ATOM 835 CG LEU A 57 -1.101 8.823 -4.433 1.00 0.00 C ATOM 836 CD1 LEU A 57 0.344 8.956 -4.881 1.00 0.00 C ATOM 837 CD2 LEU A 57 -1.487 7.358 -4.353 1.00 0.00 C ATOM 0 H LEU A 57 -2.093 11.376 -1.372 1.00 0.00 H new ATOM 0 HA LEU A 57 0.263 10.928 -3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.831 8.911 -2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.390 9.493 -2.857 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.734 9.320 -5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.473 8.464 -5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.600 10.011 -4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.998 8.489 -4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.325 6.886 -5.322 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.875 6.861 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.539 7.273 -4.080 1.00 0.00 H new ATOM 849 N GLU A 58 -0.503 12.431 -4.835 1.00 0.00 N ATOM 850 CA GLU A 58 -0.864 13.314 -5.929 1.00 0.00 C ATOM 851 C GLU A 58 -1.542 12.532 -7.052 1.00 0.00 C ATOM 852 O GLU A 58 -1.221 11.367 -7.293 1.00 0.00 O ATOM 853 CB GLU A 58 0.399 14.006 -6.442 1.00 0.00 C ATOM 854 CG GLU A 58 0.147 15.130 -7.428 1.00 0.00 C ATOM 855 CD GLU A 58 1.425 15.844 -7.810 1.00 0.00 C ATOM 856 OE1 GLU A 58 2.080 16.413 -6.911 1.00 0.00 O ATOM 857 OE2 GLU A 58 1.780 15.846 -9.005 1.00 0.00 O ATOM 0 H GLU A 58 0.503 12.335 -4.697 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.572 14.063 -5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.951 14.404 -5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.038 13.261 -6.916 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.325 14.727 -8.324 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.552 15.845 -6.993 1.00 0.00 H new ATOM 864 N SER A 59 -2.493 13.170 -7.721 1.00 0.00 N ATOM 865 CA SER A 59 -3.195 12.545 -8.830 1.00 0.00 C ATOM 866 C SER A 59 -2.218 12.266 -9.969 1.00 0.00 C ATOM 867 O SER A 59 -1.349 13.092 -10.265 1.00 0.00 O ATOM 868 CB SER A 59 -4.336 13.447 -9.314 1.00 0.00 C ATOM 869 OG SER A 59 -5.283 12.722 -10.085 1.00 0.00 O ATOM 0 H SER A 59 -2.795 14.122 -7.513 1.00 0.00 H new ATOM 0 HA SER A 59 -3.623 11.601 -8.492 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.834 13.898 -8.455 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.928 14.263 -9.911 1.00 0.00 H new ATOM 0 HG SER A 59 -4.814 12.099 -10.679 1.00 0.00 H new ATOM 875 N GLU A 60 -2.355 11.087 -10.574 1.00 0.00 N ATOM 876 CA GLU A 60 -1.484 10.640 -11.662 1.00 0.00 C ATOM 877 C GLU A 60 -0.071 10.360 -11.168 1.00 0.00 C ATOM 878 O GLU A 60 0.838 10.130 -11.965 1.00 0.00 O ATOM 879 CB GLU A 60 -1.444 11.647 -12.820 1.00 0.00 C ATOM 880 CG GLU A 60 -2.666 11.601 -13.721 1.00 0.00 C ATOM 881 CD GLU A 60 -3.915 12.141 -13.062 1.00 0.00 C ATOM 882 OE1 GLU A 60 -4.568 11.396 -12.303 1.00 0.00 O ATOM 883 OE2 GLU A 60 -4.259 13.311 -13.310 1.00 0.00 O ATOM 0 H GLU A 60 -3.076 10.411 -10.323 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.913 9.711 -12.037 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.345 12.652 -12.411 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.555 11.459 -13.421 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.464 12.175 -14.626 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.843 10.571 -14.030 1.00 0.00 H new ATOM 890 N ASN A 61 0.113 10.360 -9.858 1.00 0.00 N ATOM 891 CA ASN A 61 1.411 10.057 -9.279 1.00 0.00 C ATOM 892 C ASN A 61 1.353 8.767 -8.486 1.00 0.00 C ATOM 893 O ASN A 61 0.272 8.295 -8.122 1.00 0.00 O ATOM 894 CB ASN A 61 1.908 11.197 -8.385 1.00 0.00 C ATOM 895 CG ASN A 61 2.446 12.377 -9.173 1.00 0.00 C ATOM 896 OD1 ASN A 61 1.979 12.679 -10.270 1.00 0.00 O ATOM 897 ND2 ASN A 61 3.444 13.046 -8.620 1.00 0.00 N ATOM 0 H ASN A 61 -0.618 10.566 -9.177 1.00 0.00 H new ATOM 0 HA ASN A 61 2.116 9.939 -10.102 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.090 11.535 -7.748 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.690 10.820 -7.726 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.854 13.844 -9.105 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.804 12.764 -7.708 1.00 0.00 H new ATOM 904 N SER A 62 2.513 8.189 -8.239 1.00 0.00 N ATOM 905 CA SER A 62 2.610 6.961 -7.479 1.00 0.00 C ATOM 906 C SER A 62 3.536 7.145 -6.284 1.00 0.00 C ATOM 907 O SER A 62 4.686 7.558 -6.436 1.00 0.00 O ATOM 908 CB SER A 62 3.126 5.839 -8.375 1.00 0.00 C ATOM 909 OG SER A 62 2.475 5.861 -9.633 1.00 0.00 O ATOM 0 H SER A 62 3.409 8.556 -8.558 1.00 0.00 H new ATOM 0 HA SER A 62 1.619 6.697 -7.110 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.202 5.945 -8.515 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.961 4.876 -7.892 1.00 0.00 H new ATOM 0 HG SER A 62 2.821 5.135 -10.193 1.00 0.00 H new ATOM 915 N THR A 63 3.029 6.856 -5.103 1.00 0.00 N ATOM 916 CA THR A 63 3.822 6.921 -3.893 1.00 0.00 C ATOM 917 C THR A 63 4.190 5.517 -3.443 1.00 0.00 C ATOM 918 O THR A 63 3.319 4.663 -3.266 1.00 0.00 O ATOM 919 CB THR A 63 3.068 7.656 -2.764 1.00 0.00 C ATOM 920 OG1 THR A 63 2.854 9.021 -3.139 1.00 0.00 O ATOM 921 CG2 THR A 63 3.839 7.604 -1.452 1.00 0.00 C ATOM 0 H THR A 63 2.061 6.571 -4.955 1.00 0.00 H new ATOM 0 HA THR A 63 4.729 7.484 -4.112 1.00 0.00 H new ATOM 0 HB THR A 63 2.112 7.155 -2.615 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.374 9.486 -2.422 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.279 8.131 -0.680 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.979 6.565 -1.153 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.812 8.078 -1.582 1.00 0.00 H new ATOM 929 N ASN A 64 5.477 5.273 -3.292 1.00 0.00 N ATOM 930 CA ASN A 64 5.950 3.975 -2.859 1.00 0.00 C ATOM 931 C ASN A 64 5.967 3.918 -1.342 1.00 0.00 C ATOM 932 O ASN A 64 6.543 4.784 -0.683 1.00 0.00 O ATOM 933 CB ASN A 64 7.340 3.681 -3.424 1.00 0.00 C ATOM 934 CG ASN A 64 7.366 3.698 -4.941 1.00 0.00 C ATOM 935 OD1 ASN A 64 7.067 2.695 -5.592 1.00 0.00 O ATOM 936 ND2 ASN A 64 7.730 4.837 -5.515 1.00 0.00 N ATOM 0 H ASN A 64 6.213 5.958 -3.463 1.00 0.00 H new ATOM 0 HA ASN A 64 5.270 3.212 -3.238 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.047 4.418 -3.043 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.674 2.706 -3.069 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.770 4.906 -6.532 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.970 5.644 -4.940 1.00 0.00 H new ATOM 943 N VAL A 65 5.312 2.914 -0.798 1.00 0.00 N ATOM 944 CA VAL A 65 5.212 2.748 0.640 1.00 0.00 C ATOM 945 C VAL A 65 6.280 1.787 1.122 1.00 0.00 C ATOM 946 O VAL A 65 6.505 0.754 0.499 1.00 0.00 O ATOM 947 CB VAL A 65 3.827 2.200 1.037 1.00 0.00 C ATOM 948 CG1 VAL A 65 3.655 2.199 2.546 1.00 0.00 C ATOM 949 CG2 VAL A 65 2.721 2.996 0.364 1.00 0.00 C ATOM 0 H VAL A 65 4.835 2.191 -1.337 1.00 0.00 H new ATOM 0 HA VAL A 65 5.351 3.725 1.104 1.00 0.00 H new ATOM 0 HB VAL A 65 3.759 1.168 0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.670 1.808 2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.422 1.571 2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.749 3.217 2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.752 2.593 0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.787 4.040 0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.830 2.927 -0.718 1.00 0.00 H new ATOM 959 N ASP A 66 6.931 2.128 2.221 1.00 0.00 N ATOM 960 CA ASP A 66 8.004 1.305 2.755 1.00 0.00 C ATOM 961 C ASP A 66 7.573 0.665 4.063 1.00 0.00 C ATOM 962 O ASP A 66 7.541 1.316 5.107 1.00 0.00 O ATOM 963 CB ASP A 66 9.280 2.129 2.968 1.00 0.00 C ATOM 964 CG ASP A 66 9.929 2.565 1.669 1.00 0.00 C ATOM 965 OD1 ASP A 66 10.781 1.814 1.140 1.00 0.00 O ATOM 966 OD2 ASP A 66 9.606 3.668 1.175 1.00 0.00 O ATOM 0 H ASP A 66 6.735 2.970 2.762 1.00 0.00 H new ATOM 0 HA ASP A 66 8.222 0.522 2.028 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.041 3.011 3.562 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.994 1.540 3.544 1.00 0.00 H new ATOM 971 N PHE A 67 7.233 -0.613 3.999 1.00 0.00 N ATOM 972 CA PHE A 67 6.799 -1.341 5.178 1.00 0.00 C ATOM 973 C PHE A 67 7.985 -2.012 5.846 1.00 0.00 C ATOM 974 O PHE A 67 8.915 -2.475 5.180 1.00 0.00 O ATOM 975 CB PHE A 67 5.762 -2.405 4.821 1.00 0.00 C ATOM 976 CG PHE A 67 4.462 -1.859 4.307 1.00 0.00 C ATOM 977 CD1 PHE A 67 3.627 -1.120 5.130 1.00 0.00 C ATOM 978 CD2 PHE A 67 4.070 -2.098 3.000 1.00 0.00 C ATOM 979 CE1 PHE A 67 2.425 -0.632 4.659 1.00 0.00 C ATOM 980 CE2 PHE A 67 2.868 -1.616 2.525 1.00 0.00 C ATOM 981 CZ PHE A 67 2.045 -0.881 3.354 1.00 0.00 C ATOM 0 H PHE A 67 7.250 -1.166 3.142 1.00 0.00 H new ATOM 0 HA PHE A 67 6.346 -0.622 5.861 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.186 -3.069 4.068 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.563 -3.011 5.705 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.920 -0.924 6.151 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.713 -2.668 2.346 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.783 -0.057 5.309 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.571 -1.814 1.506 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.105 -0.501 2.983 1.00 0.00 H new ATOM 991 N HIS A 68 7.941 -2.063 7.162 1.00 0.00 N ATOM 992 CA HIS A 68 8.998 -2.681 7.940 1.00 0.00 C ATOM 993 C HIS A 68 8.566 -4.084 8.337 1.00 0.00 C ATOM 994 O HIS A 68 7.969 -4.284 9.393 1.00 0.00 O ATOM 995 CB HIS A 68 9.304 -1.844 9.189 1.00 0.00 C ATOM 996 CG HIS A 68 9.466 -0.377 8.914 1.00 0.00 C ATOM 997 ND1 HIS A 68 10.686 0.221 8.694 1.00 0.00 N ATOM 998 CD2 HIS A 68 8.547 0.615 8.830 1.00 0.00 C ATOM 999 CE1 HIS A 68 10.511 1.513 8.488 1.00 0.00 C ATOM 1000 NE2 HIS A 68 9.222 1.780 8.565 1.00 0.00 N ATOM 0 H HIS A 68 7.178 -1.680 7.720 1.00 0.00 H new ATOM 0 HA HIS A 68 9.906 -2.736 7.339 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.500 -1.981 9.912 1.00 0.00 H new ATOM 0 HB3 HIS A 68 10.217 -2.220 9.652 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.479 0.508 8.950 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.293 2.231 8.290 1.00 0.00 H new ATOM 0 HE2 HIS A 68 8.797 2.700 8.447 1.00 0.00 H new ATOM 1009 N TRP A 69 8.841 -5.049 7.477 1.00 0.00 N ATOM 1010 CA TRP A 69 8.360 -6.404 7.687 1.00 0.00 C ATOM 1011 C TRP A 69 9.500 -7.336 8.082 1.00 0.00 C ATOM 1012 O TRP A 69 10.386 -7.638 7.281 1.00 0.00 O ATOM 1013 CB TRP A 69 7.648 -6.908 6.424 1.00 0.00 C ATOM 1014 CG TRP A 69 7.210 -8.340 6.504 1.00 0.00 C ATOM 1015 CD1 TRP A 69 6.842 -9.029 7.624 1.00 0.00 C ATOM 1016 CD2 TRP A 69 7.088 -9.255 5.412 1.00 0.00 C ATOM 1017 NE1 TRP A 69 6.519 -10.324 7.295 1.00 0.00 N ATOM 1018 CE2 TRP A 69 6.659 -10.485 5.942 1.00 0.00 C ATOM 1019 CE3 TRP A 69 7.309 -9.155 4.037 1.00 0.00 C ATOM 1020 CZ2 TRP A 69 6.447 -11.604 5.143 1.00 0.00 C ATOM 1021 CZ3 TRP A 69 7.093 -10.266 3.246 1.00 0.00 C ATOM 1022 CH2 TRP A 69 6.669 -11.478 3.802 1.00 0.00 C ATOM 0 H TRP A 69 9.393 -4.921 6.629 1.00 0.00 H new ATOM 0 HA TRP A 69 7.645 -6.396 8.510 1.00 0.00 H new ATOM 0 HB2 TRP A 69 6.776 -6.282 6.236 1.00 0.00 H new ATOM 0 HB3 TRP A 69 8.316 -6.790 5.571 1.00 0.00 H new ATOM 0 HD1 TRP A 69 6.809 -8.617 8.622 1.00 0.00 H new ATOM 0 HE1 TRP A 69 6.223 -11.047 7.951 1.00 0.00 H new ATOM 0 HE3 TRP A 69 7.643 -8.225 3.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.118 -12.540 5.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 7.254 -10.198 2.180 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.514 -12.331 3.157 1.00 0.00 H new ATOM 1033 N THR A 70 9.474 -7.770 9.330 1.00 0.00 N ATOM 1034 CA THR A 70 10.459 -8.707 9.838 1.00 0.00 C ATOM 1035 C THR A 70 10.086 -10.128 9.422 1.00 0.00 C ATOM 1036 O THR A 70 8.987 -10.598 9.722 1.00 0.00 O ATOM 1037 CB THR A 70 10.540 -8.621 11.373 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.535 -7.243 11.777 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.798 -9.303 11.891 1.00 0.00 C ATOM 0 H THR A 70 8.774 -7.485 10.015 1.00 0.00 H new ATOM 0 HA THR A 70 11.432 -8.451 9.419 1.00 0.00 H new ATOM 0 HB THR A 70 9.675 -9.133 11.794 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.585 -7.188 12.754 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.831 -9.228 12.978 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.789 -10.353 11.600 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.676 -8.817 11.467 1.00 0.00 H new ATOM 1047 N LEU A 71 10.986 -10.809 8.725 1.00 0.00 N ATOM 1048 CA LEU A 71 10.694 -12.148 8.235 1.00 0.00 C ATOM 1049 C LEU A 71 11.044 -13.217 9.253 1.00 0.00 C ATOM 1050 O LEU A 71 12.196 -13.356 9.661 1.00 0.00 O ATOM 1051 CB LEU A 71 11.431 -12.437 6.927 1.00 0.00 C ATOM 1052 CG LEU A 71 10.551 -12.441 5.678 1.00 0.00 C ATOM 1053 CD1 LEU A 71 9.363 -13.373 5.859 1.00 0.00 C ATOM 1054 CD2 LEU A 71 10.093 -11.034 5.346 1.00 0.00 C ATOM 0 H LEU A 71 11.915 -10.460 8.488 1.00 0.00 H new ATOM 0 HA LEU A 71 9.619 -12.179 8.056 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.216 -11.692 6.798 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.922 -13.407 7.011 1.00 0.00 H new ATOM 0 HG LEU A 71 11.143 -12.811 4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.750 -13.360 4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.720 -14.387 6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.766 -13.041 6.708 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.467 -11.056 4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.520 -10.631 6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.962 -10.402 5.164 1.00 0.00 H new ATOM 1066 N ASP A 72 10.032 -13.970 9.650 1.00 0.00 N ATOM 1067 CA ASP A 72 10.219 -15.132 10.505 1.00 0.00 C ATOM 1068 C ASP A 72 10.593 -16.342 9.658 1.00 0.00 C ATOM 1069 O ASP A 72 11.435 -17.152 10.044 1.00 0.00 O ATOM 1070 CB ASP A 72 8.945 -15.411 11.310 1.00 0.00 C ATOM 1071 CG ASP A 72 7.701 -15.390 10.447 1.00 0.00 C ATOM 1072 OD1 ASP A 72 7.156 -14.290 10.218 1.00 0.00 O ATOM 1073 OD2 ASP A 72 7.268 -16.464 9.982 1.00 0.00 O ATOM 0 H ASP A 72 9.061 -13.795 9.391 1.00 0.00 H new ATOM 0 HA ASP A 72 11.029 -14.931 11.206 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.031 -16.383 11.795 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.848 -14.667 12.101 1.00 0.00 H new ATOM 1078 N GLY A 73 9.967 -16.449 8.491 1.00 0.00 N ATOM 1079 CA GLY A 73 10.321 -17.490 7.546 1.00 0.00 C ATOM 1080 C GLY A 73 9.558 -18.783 7.757 1.00 0.00 C ATOM 1081 O GLY A 73 10.035 -19.851 7.377 1.00 0.00 O ATOM 0 H GLY A 73 9.217 -15.830 8.182 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.136 -17.129 6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.390 -17.691 7.623 1.00 0.00 H new ATOM 1085 N THR A 74 8.378 -18.694 8.360 1.00 0.00 N ATOM 1086 CA THR A 74 7.540 -19.869 8.570 1.00 0.00 C ATOM 1087 C THR A 74 7.093 -20.467 7.238 1.00 0.00 C ATOM 1088 O THR A 74 7.246 -21.663 6.993 1.00 0.00 O ATOM 1089 CB THR A 74 6.302 -19.521 9.419 1.00 0.00 C ATOM 1090 OG1 THR A 74 6.714 -18.991 10.687 1.00 0.00 O ATOM 1091 CG2 THR A 74 5.421 -20.744 9.633 1.00 0.00 C ATOM 0 H THR A 74 7.981 -17.823 8.711 1.00 0.00 H new ATOM 0 HA THR A 74 8.140 -20.605 9.105 1.00 0.00 H new ATOM 0 HB THR A 74 5.721 -18.772 8.881 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.803 -18.017 10.621 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.555 -20.468 10.235 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.085 -21.124 8.668 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.991 -21.517 10.149 1.00 0.00 H new ATOM 1099 N ALA A 75 6.548 -19.622 6.382 1.00 0.00 N ATOM 1100 CA ALA A 75 6.089 -20.052 5.072 1.00 0.00 C ATOM 1101 C ALA A 75 6.981 -19.478 3.983 1.00 0.00 C ATOM 1102 O ALA A 75 7.492 -18.365 4.118 1.00 0.00 O ATOM 1103 CB ALA A 75 4.643 -19.633 4.850 1.00 0.00 C ATOM 0 H ALA A 75 6.412 -18.629 6.571 1.00 0.00 H new ATOM 0 HA ALA A 75 6.144 -21.140 5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.316 -19.963 3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.011 -20.088 5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.565 -18.548 4.914 1.00 0.00 H new ATOM 1109 N ASN A 76 7.161 -20.228 2.902 1.00 0.00 N ATOM 1110 CA ASN A 76 8.034 -19.793 1.815 1.00 0.00 C ATOM 1111 C ASN A 76 7.308 -18.826 0.887 1.00 0.00 C ATOM 1112 O ASN A 76 7.903 -18.255 -0.024 1.00 0.00 O ATOM 1113 CB ASN A 76 8.568 -20.989 1.015 1.00 0.00 C ATOM 1114 CG ASN A 76 7.543 -21.599 0.073 1.00 0.00 C ATOM 1115 OD1 ASN A 76 6.345 -21.645 0.364 1.00 0.00 O ATOM 1116 ND2 ASN A 76 8.013 -22.071 -1.070 1.00 0.00 N ATOM 0 H ASN A 76 6.718 -21.135 2.754 1.00 0.00 H new ATOM 0 HA ASN A 76 8.882 -19.276 2.265 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.436 -20.670 0.437 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.912 -21.755 1.710 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.377 -22.492 -1.748 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.011 -22.014 -1.273 1.00 0.00 H new ATOM 1123 N SER A 77 6.015 -18.656 1.118 1.00 0.00 N ATOM 1124 CA SER A 77 5.222 -17.712 0.356 1.00 0.00 C ATOM 1125 C SER A 77 4.102 -17.166 1.231 1.00 0.00 C ATOM 1126 O SER A 77 3.326 -17.929 1.811 1.00 0.00 O ATOM 1127 CB SER A 77 4.650 -18.376 -0.901 1.00 0.00 C ATOM 1128 OG SER A 77 4.136 -17.407 -1.805 1.00 0.00 O ATOM 0 H SER A 77 5.493 -19.164 1.832 1.00 0.00 H new ATOM 0 HA SER A 77 5.860 -16.887 0.038 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.428 -18.960 -1.393 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.859 -19.071 -0.620 1.00 0.00 H new ATOM 0 HG SER A 77 4.528 -16.532 -1.604 1.00 0.00 H new ATOM 1134 N TYR A 78 4.035 -15.850 1.341 1.00 0.00 N ATOM 1135 CA TYR A 78 3.042 -15.206 2.183 1.00 0.00 C ATOM 1136 C TYR A 78 2.034 -14.426 1.359 1.00 0.00 C ATOM 1137 O TYR A 78 2.318 -14.004 0.236 1.00 0.00 O ATOM 1138 CB TYR A 78 3.703 -14.267 3.191 1.00 0.00 C ATOM 1139 CG TYR A 78 4.357 -14.976 4.349 1.00 0.00 C ATOM 1140 CD1 TYR A 78 3.600 -15.732 5.232 1.00 0.00 C ATOM 1141 CD2 TYR A 78 5.724 -14.889 4.562 1.00 0.00 C ATOM 1142 CE1 TYR A 78 4.187 -16.381 6.297 1.00 0.00 C ATOM 1143 CE2 TYR A 78 6.320 -15.535 5.624 1.00 0.00 C ATOM 1144 CZ TYR A 78 5.546 -16.280 6.489 1.00 0.00 C ATOM 1145 OH TYR A 78 6.134 -16.939 7.544 1.00 0.00 O ATOM 0 H TYR A 78 4.659 -15.205 0.856 1.00 0.00 H new ATOM 0 HA TYR A 78 2.519 -15.998 2.718 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.452 -13.666 2.676 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.952 -13.578 3.577 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.533 -15.813 5.083 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.331 -14.306 3.886 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.584 -16.965 6.977 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.386 -15.458 5.778 1.00 0.00 H new ATOM 0 HH TYR A 78 6.410 -16.289 8.223 1.00 0.00 H new ATOM 1155 N THR A 79 0.864 -14.229 1.939 1.00 0.00 N ATOM 1156 CA THR A 79 -0.188 -13.467 1.304 1.00 0.00 C ATOM 1157 C THR A 79 -0.154 -12.038 1.820 1.00 0.00 C ATOM 1158 O THR A 79 -0.657 -11.752 2.907 1.00 0.00 O ATOM 1159 CB THR A 79 -1.570 -14.083 1.593 1.00 0.00 C ATOM 1160 OG1 THR A 79 -1.506 -15.507 1.443 1.00 0.00 O ATOM 1161 CG2 THR A 79 -2.626 -13.522 0.655 1.00 0.00 C ATOM 0 H THR A 79 0.620 -14.593 2.860 1.00 0.00 H new ATOM 0 HA THR A 79 -0.024 -13.482 0.227 1.00 0.00 H new ATOM 0 HB THR A 79 -1.848 -13.830 2.616 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.386 -15.895 1.629 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.591 -13.974 0.882 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.692 -12.442 0.786 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.353 -13.747 -0.376 1.00 0.00 H new ATOM 1169 N LEU A 80 0.475 -11.158 1.062 1.00 0.00 N ATOM 1170 CA LEU A 80 0.619 -9.776 1.475 1.00 0.00 C ATOM 1171 C LEU A 80 -0.463 -8.916 0.848 1.00 0.00 C ATOM 1172 O LEU A 80 -0.562 -8.801 -0.374 1.00 0.00 O ATOM 1173 CB LEU A 80 2.009 -9.243 1.130 1.00 0.00 C ATOM 1174 CG LEU A 80 3.063 -9.401 2.233 1.00 0.00 C ATOM 1175 CD1 LEU A 80 3.278 -10.866 2.591 1.00 0.00 C ATOM 1176 CD2 LEU A 80 4.371 -8.758 1.805 1.00 0.00 C ATOM 0 H LEU A 80 0.894 -11.377 0.158 1.00 0.00 H new ATOM 0 HA LEU A 80 0.505 -9.731 2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.364 -9.754 0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.923 -8.185 0.881 1.00 0.00 H new ATOM 0 HG LEU A 80 2.696 -8.894 3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.031 -10.942 3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.341 -11.295 2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.616 -11.410 1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.111 -8.877 2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.732 -9.238 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.210 -7.697 1.615 1.00 0.00 H new ATOM 1188 N THR A 81 -1.282 -8.331 1.698 1.00 0.00 N ATOM 1189 CA THR A 81 -2.400 -7.527 1.256 1.00 0.00 C ATOM 1190 C THR A 81 -2.231 -6.086 1.716 1.00 0.00 C ATOM 1191 O THR A 81 -2.137 -5.816 2.909 1.00 0.00 O ATOM 1192 CB THR A 81 -3.726 -8.090 1.804 1.00 0.00 C ATOM 1193 OG1 THR A 81 -3.813 -9.490 1.514 1.00 0.00 O ATOM 1194 CG2 THR A 81 -4.920 -7.368 1.198 1.00 0.00 C ATOM 0 H THR A 81 -1.191 -8.400 2.712 1.00 0.00 H new ATOM 0 HA THR A 81 -2.427 -7.556 0.167 1.00 0.00 H new ATOM 0 HB THR A 81 -3.743 -7.935 2.883 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.656 -9.845 1.865 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.842 -7.786 1.603 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.865 -6.307 1.441 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.910 -7.493 0.115 1.00 0.00 H new ATOM 1202 N VAL A 82 -2.169 -5.168 0.773 1.00 0.00 N ATOM 1203 CA VAL A 82 -2.053 -3.757 1.101 1.00 0.00 C ATOM 1204 C VAL A 82 -3.433 -3.118 1.112 1.00 0.00 C ATOM 1205 O VAL A 82 -4.062 -2.981 0.061 1.00 0.00 O ATOM 1206 CB VAL A 82 -1.153 -3.010 0.091 1.00 0.00 C ATOM 1207 CG1 VAL A 82 -0.944 -1.565 0.519 1.00 0.00 C ATOM 1208 CG2 VAL A 82 0.182 -3.722 -0.072 1.00 0.00 C ATOM 0 H VAL A 82 -2.197 -5.371 -0.226 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.595 -3.681 2.087 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.658 -3.008 -0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.307 -1.059 -0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.908 -1.058 0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.467 -1.541 1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.799 -3.179 -0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.692 -3.763 0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.012 -4.735 -0.436 1.00 0.00 H new ATOM 1218 N ASN A 83 -3.924 -2.757 2.293 1.00 0.00 N ATOM 1219 CA ASN A 83 -5.221 -2.102 2.383 1.00 0.00 C ATOM 1220 C ASN A 83 -5.037 -0.600 2.514 1.00 0.00 C ATOM 1221 O ASN A 83 -4.318 -0.121 3.398 1.00 0.00 O ATOM 1222 CB ASN A 83 -6.041 -2.637 3.557 1.00 0.00 C ATOM 1223 CG ASN A 83 -7.473 -2.137 3.516 1.00 0.00 C ATOM 1224 OD1 ASN A 83 -8.020 -1.882 2.443 1.00 0.00 O ATOM 1225 ND2 ASN A 83 -8.091 -2.001 4.675 1.00 0.00 N ATOM 0 H ASN A 83 -3.452 -2.904 3.185 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.771 -2.320 1.467 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.035 -3.727 3.538 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.576 -2.332 4.494 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.057 -1.674 4.703 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.603 -2.223 5.543 1.00 0.00 H new ATOM 1232 N VAL A 84 -5.679 0.135 1.623 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.536 1.577 1.566 1.00 0.00 C ATOM 1234 C VAL A 84 -6.692 2.268 2.284 1.00 0.00 C ATOM 1235 O VAL A 84 -7.839 2.204 1.839 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.451 2.059 0.100 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -5.335 3.571 0.016 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.277 1.398 -0.607 1.00 0.00 C ATOM 0 H VAL A 84 -6.312 -0.250 0.922 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.609 1.843 2.074 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.375 1.768 -0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.277 3.874 -1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.209 4.029 0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.435 3.896 0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.230 1.747 -1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.351 1.657 -0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.408 0.316 -0.596 1.00 0.00 H new ATOM 1248 N ASP A 85 -6.363 2.896 3.413 1.00 0.00 N ATOM 1249 CA ASP A 85 -7.310 3.672 4.219 1.00 0.00 C ATOM 1250 C ASP A 85 -8.389 2.800 4.861 1.00 0.00 C ATOM 1251 O ASP A 85 -9.425 2.512 4.260 1.00 0.00 O ATOM 1252 CB ASP A 85 -7.962 4.796 3.410 1.00 0.00 C ATOM 1253 CG ASP A 85 -8.908 5.623 4.259 1.00 0.00 C ATOM 1254 OD1 ASP A 85 -8.435 6.548 4.953 1.00 0.00 O ATOM 1255 OD2 ASP A 85 -10.122 5.334 4.261 1.00 0.00 O ATOM 0 H ASP A 85 -5.419 2.881 3.800 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.719 4.117 5.020 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.188 5.441 2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.507 4.369 2.568 1.00 0.00 H new ATOM 1260 N PRO A 86 -8.139 2.345 6.096 1.00 0.00 N ATOM 1261 CA PRO A 86 -9.122 1.655 6.910 1.00 0.00 C ATOM 1262 C PRO A 86 -9.738 2.582 7.962 1.00 0.00 C ATOM 1263 O PRO A 86 -10.292 2.125 8.962 1.00 0.00 O ATOM 1264 CB PRO A 86 -8.262 0.586 7.579 1.00 0.00 C ATOM 1265 CG PRO A 86 -6.900 1.207 7.719 1.00 0.00 C ATOM 1266 CD PRO A 86 -6.850 2.403 6.792 1.00 0.00 C ATOM 0 HA PRO A 86 -9.968 1.271 6.341 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.668 0.305 8.551 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.221 -0.321 6.976 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.722 1.513 8.750 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.122 0.488 7.461 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.733 3.335 7.344 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -6.014 2.338 6.096 1.00 0.00 H new ATOM 1274 N GLU A 87 -9.626 3.889 7.733 1.00 0.00 N ATOM 1275 CA GLU A 87 -10.061 4.876 8.717 1.00 0.00 C ATOM 1276 C GLU A 87 -10.998 5.911 8.109 1.00 0.00 C ATOM 1277 O GLU A 87 -11.566 6.736 8.828 1.00 0.00 O ATOM 1278 CB GLU A 87 -8.847 5.586 9.317 1.00 0.00 C ATOM 1279 CG GLU A 87 -7.936 4.672 10.115 1.00 0.00 C ATOM 1280 CD GLU A 87 -6.705 5.385 10.630 1.00 0.00 C ATOM 1281 OE1 GLU A 87 -6.807 6.579 10.983 1.00 0.00 O ATOM 1282 OE2 GLU A 87 -5.630 4.754 10.689 1.00 0.00 O ATOM 0 H GLU A 87 -9.239 4.287 6.877 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.606 4.341 9.495 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.272 6.045 8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.192 6.393 9.963 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.490 4.257 10.957 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.631 3.833 9.490 1.00 0.00 H new ATOM 1289 N ASN A 88 -11.148 5.866 6.791 1.00 0.00 N ATOM 1290 CA ASN A 88 -11.941 6.848 6.053 1.00 0.00 C ATOM 1291 C ASN A 88 -11.361 8.245 6.260 1.00 0.00 C ATOM 1292 O ASN A 88 -12.072 9.206 6.554 1.00 0.00 O ATOM 1293 CB ASN A 88 -13.421 6.790 6.463 1.00 0.00 C ATOM 1294 CG ASN A 88 -14.335 7.525 5.496 1.00 0.00 C ATOM 1295 OD1 ASN A 88 -14.759 6.970 4.480 1.00 0.00 O ATOM 1296 ND2 ASN A 88 -14.660 8.769 5.809 1.00 0.00 N ATOM 0 H ASN A 88 -10.725 5.149 6.202 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.893 6.607 4.991 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.733 5.748 6.529 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.534 7.220 7.458 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -15.281 9.302 5.201 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -14.289 9.195 6.659 1.00 0.00 H new ATOM 1303 N ALA A 89 -10.048 8.341 6.114 1.00 0.00 N ATOM 1304 CA ALA A 89 -9.366 9.622 6.154 1.00 0.00 C ATOM 1305 C ALA A 89 -9.445 10.243 4.773 1.00 0.00 C ATOM 1306 O ALA A 89 -9.611 11.455 4.616 1.00 0.00 O ATOM 1307 CB ALA A 89 -7.918 9.452 6.594 1.00 0.00 C ATOM 0 H ALA A 89 -9.432 7.541 5.966 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.846 10.277 6.881 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.428 10.425 6.616 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.890 9.009 7.589 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.398 8.800 5.892 1.00 0.00 H new ATOM 1313 N VAL A 90 -9.338 9.382 3.776 1.00 0.00 N ATOM 1314 CA VAL A 90 -9.599 9.753 2.401 1.00 0.00 C ATOM 1315 C VAL A 90 -10.719 8.873 1.874 1.00 0.00 C ATOM 1316 O VAL A 90 -10.522 7.682 1.640 1.00 0.00 O ATOM 1317 CB VAL A 90 -8.355 9.589 1.502 1.00 0.00 C ATOM 1318 CG1 VAL A 90 -8.616 10.168 0.121 1.00 0.00 C ATOM 1319 CG2 VAL A 90 -7.138 10.240 2.135 1.00 0.00 C ATOM 0 H VAL A 90 -9.067 8.406 3.900 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.877 10.807 2.378 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.150 8.524 1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.728 10.044 -0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.456 9.647 -0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.851 11.229 0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.275 10.110 1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.328 11.304 2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.936 9.774 3.099 1.00 0.00 H new ATOM 1329 N ASN A 91 -11.903 9.444 1.736 1.00 0.00 N ATOM 1330 CA ASN A 91 -13.053 8.676 1.287 1.00 0.00 C ATOM 1331 C ASN A 91 -12.984 8.462 -0.214 1.00 0.00 C ATOM 1332 O ASN A 91 -13.229 9.378 -0.996 1.00 0.00 O ATOM 1333 CB ASN A 91 -14.365 9.358 1.682 1.00 0.00 C ATOM 1334 CG ASN A 91 -15.581 8.573 1.223 1.00 0.00 C ATOM 1335 OD1 ASN A 91 -16.174 8.867 0.185 1.00 0.00 O ATOM 1336 ND2 ASN A 91 -15.957 7.561 1.991 1.00 0.00 N ATOM 0 H ASN A 91 -12.093 10.428 1.926 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.029 7.704 1.780 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -14.399 9.477 2.765 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -14.397 10.358 1.251 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -16.764 6.994 1.729 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -15.440 7.349 2.844 1.00 0.00 H new ATOM 1343 N GLU A 92 -12.623 7.249 -0.597 1.00 0.00 N ATOM 1344 CA GLU A 92 -12.460 6.890 -1.997 1.00 0.00 C ATOM 1345 C GLU A 92 -13.798 6.649 -2.678 1.00 0.00 C ATOM 1346 O GLU A 92 -14.853 6.715 -2.045 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.599 5.632 -2.105 1.00 0.00 C ATOM 1348 CG GLU A 92 -10.165 5.850 -1.672 1.00 0.00 C ATOM 1349 CD GLU A 92 -9.477 6.885 -2.528 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -9.201 6.584 -3.703 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -9.222 8.000 -2.037 1.00 0.00 O ATOM 0 H GLU A 92 -12.435 6.485 0.053 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.973 7.725 -2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.040 4.844 -1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.610 5.280 -3.136 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.143 6.167 -0.629 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -9.620 4.908 -1.730 1.00 0.00 H new ATOM 1358 N GLY A 93 -13.737 6.396 -3.980 1.00 0.00 N ATOM 1359 CA GLY A 93 -14.905 5.985 -4.737 1.00 0.00 C ATOM 1360 C GLY A 93 -15.522 4.718 -4.174 1.00 0.00 C ATOM 1361 O GLY A 93 -16.286 4.759 -3.209 1.00 0.00 O ATOM 0 H GLY A 93 -12.883 6.470 -4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.645 6.785 -4.727 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.625 5.822 -5.778 1.00 0.00 H new ATOM 1365 N ASN A 94 -15.243 3.596 -4.811 1.00 0.00 N ATOM 1366 CA ASN A 94 -15.666 2.306 -4.288 1.00 0.00 C ATOM 1367 C ASN A 94 -14.605 1.772 -3.331 1.00 0.00 C ATOM 1368 O ASN A 94 -13.558 2.389 -3.164 1.00 0.00 O ATOM 1369 CB ASN A 94 -15.928 1.303 -5.422 1.00 0.00 C ATOM 1370 CG ASN A 94 -14.685 0.927 -6.214 1.00 0.00 C ATOM 1371 OD1 ASN A 94 -13.772 1.730 -6.391 1.00 0.00 O ATOM 1372 ND2 ASN A 94 -14.650 -0.301 -6.703 1.00 0.00 N ATOM 0 H ASN A 94 -14.727 3.549 -5.689 1.00 0.00 H new ATOM 0 HA ASN A 94 -16.603 2.440 -3.748 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -16.365 0.398 -4.999 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -16.667 1.725 -6.103 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.845 -0.610 -7.248 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -15.428 -0.939 -6.535 1.00 0.00 H new ATOM 1379 N GLU A 95 -14.878 0.650 -2.682 1.00 0.00 N ATOM 1380 CA GLU A 95 -13.908 0.050 -1.773 1.00 0.00 C ATOM 1381 C GLU A 95 -13.441 -1.308 -2.286 1.00 0.00 C ATOM 1382 O GLU A 95 -12.994 -2.158 -1.518 1.00 0.00 O ATOM 1383 CB GLU A 95 -14.495 -0.078 -0.367 1.00 0.00 C ATOM 1384 CG GLU A 95 -14.684 1.261 0.332 1.00 0.00 C ATOM 1385 CD GLU A 95 -15.228 1.115 1.736 1.00 0.00 C ATOM 1386 OE1 GLU A 95 -14.429 0.940 2.681 1.00 0.00 O ATOM 1387 OE2 GLU A 95 -16.464 1.174 1.904 1.00 0.00 O ATOM 0 H GLU A 95 -15.756 0.138 -2.765 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.040 0.708 -1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -15.457 -0.587 -0.428 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -13.840 -0.706 0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.729 1.785 0.370 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -15.364 1.879 -0.254 1.00 0.00 H new ATOM 1394 N SER A 96 -13.535 -1.501 -3.589 1.00 0.00 N ATOM 1395 CA SER A 96 -13.040 -2.717 -4.216 1.00 0.00 C ATOM 1396 C SER A 96 -11.808 -2.405 -5.059 1.00 0.00 C ATOM 1397 O SER A 96 -11.418 -3.177 -5.935 1.00 0.00 O ATOM 1398 CB SER A 96 -14.134 -3.344 -5.076 1.00 0.00 C ATOM 1399 OG SER A 96 -15.296 -3.613 -4.305 1.00 0.00 O ATOM 0 H SER A 96 -13.950 -0.831 -4.236 1.00 0.00 H new ATOM 0 HA SER A 96 -12.758 -3.429 -3.441 1.00 0.00 H new ATOM 0 HB2 SER A 96 -14.385 -2.673 -5.897 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.766 -4.269 -5.521 1.00 0.00 H new ATOM 0 HG SER A 96 -15.983 -4.013 -4.878 1.00 0.00 H new ATOM 1405 N ASN A 97 -11.203 -1.263 -4.779 1.00 0.00 N ATOM 1406 CA ASN A 97 -10.038 -0.792 -5.523 1.00 0.00 C ATOM 1407 C ASN A 97 -8.866 -0.520 -4.584 1.00 0.00 C ATOM 1408 O ASN A 97 -7.707 -0.592 -4.984 1.00 0.00 O ATOM 1409 CB ASN A 97 -10.393 0.489 -6.290 1.00 0.00 C ATOM 1410 CG ASN A 97 -10.832 1.617 -5.368 1.00 0.00 C ATOM 1411 OD1 ASN A 97 -11.326 1.377 -4.269 1.00 0.00 O ATOM 1412 ND2 ASN A 97 -10.685 2.853 -5.817 1.00 0.00 N ATOM 0 H ASN A 97 -11.501 -0.635 -4.033 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.744 -1.570 -6.227 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.529 0.813 -6.869 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.191 0.274 -7.001 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.986 3.642 -5.245 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.271 3.016 -6.735 1.00 0.00 H new ATOM 1419 N ASN A 98 -9.182 -0.244 -3.326 1.00 0.00 N ATOM 1420 CA ASN A 98 -8.188 0.182 -2.348 1.00 0.00 C ATOM 1421 C ASN A 98 -7.512 -1.009 -1.673 1.00 0.00 C ATOM 1422 O ASN A 98 -6.977 -0.887 -0.574 1.00 0.00 O ATOM 1423 CB ASN A 98 -8.845 1.074 -1.283 1.00 0.00 C ATOM 1424 CG ASN A 98 -9.890 0.343 -0.453 1.00 0.00 C ATOM 1425 OD1 ASN A 98 -10.607 -0.525 -0.953 1.00 0.00 O ATOM 1426 ND2 ASN A 98 -9.970 0.678 0.825 1.00 0.00 N ATOM 0 H ASN A 98 -10.130 -0.308 -2.955 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.423 0.746 -2.881 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -8.074 1.467 -0.621 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.311 1.929 -1.772 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -10.643 0.212 1.433 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.358 1.402 1.202 1.00 0.00 H new ATOM 1433 N THR A 99 -7.517 -2.155 -2.332 1.00 0.00 N ATOM 1434 CA THR A 99 -6.905 -3.342 -1.763 1.00 0.00 C ATOM 1435 C THR A 99 -6.069 -4.073 -2.807 1.00 0.00 C ATOM 1436 O THR A 99 -6.423 -4.113 -3.985 1.00 0.00 O ATOM 1437 CB THR A 99 -7.969 -4.306 -1.213 1.00 0.00 C ATOM 1438 OG1 THR A 99 -9.146 -3.576 -0.839 1.00 0.00 O ATOM 1439 CG2 THR A 99 -7.440 -5.060 -0.003 1.00 0.00 C ATOM 0 H THR A 99 -7.934 -2.288 -3.253 1.00 0.00 H new ATOM 0 HA THR A 99 -6.263 -3.014 -0.946 1.00 0.00 H new ATOM 0 HB THR A 99 -8.215 -5.023 -1.996 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.819 -4.197 -0.491 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.210 -5.736 0.369 1.00 0.00 H new ATOM 0 HG22 THR A 99 -6.559 -5.635 -0.289 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.171 -4.350 0.779 1.00 0.00 H new ATOM 1447 N LEU A 100 -4.966 -4.651 -2.363 1.00 0.00 N ATOM 1448 CA LEU A 100 -4.078 -5.409 -3.237 1.00 0.00 C ATOM 1449 C LEU A 100 -3.635 -6.688 -2.548 1.00 0.00 C ATOM 1450 O LEU A 100 -2.959 -6.643 -1.522 1.00 0.00 O ATOM 1451 CB LEU A 100 -2.852 -4.572 -3.613 1.00 0.00 C ATOM 1452 CG LEU A 100 -1.742 -5.314 -4.369 1.00 0.00 C ATOM 1453 CD1 LEU A 100 -2.173 -5.634 -5.791 1.00 0.00 C ATOM 1454 CD2 LEU A 100 -0.460 -4.495 -4.370 1.00 0.00 C ATOM 0 H LEU A 100 -4.659 -4.610 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.623 -5.662 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.183 -3.732 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.427 -4.154 -2.700 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.551 -6.256 -3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.369 -6.160 -6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.062 -6.264 -5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.398 -4.708 -6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.317 -5.036 -4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.641 -3.537 -4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.136 -4.325 -3.343 1.00 0.00 H new ATOM 1466 N THR A 101 -4.028 -7.818 -3.105 1.00 0.00 N ATOM 1467 CA THR A 101 -3.649 -9.108 -2.559 1.00 0.00 C ATOM 1468 C THR A 101 -2.567 -9.738 -3.429 1.00 0.00 C ATOM 1469 O THR A 101 -2.852 -10.250 -4.513 1.00 0.00 O ATOM 1470 CB THR A 101 -4.865 -10.049 -2.481 1.00 0.00 C ATOM 1471 OG1 THR A 101 -5.973 -9.368 -1.875 1.00 0.00 O ATOM 1472 CG2 THR A 101 -4.536 -11.298 -1.675 1.00 0.00 C ATOM 0 H THR A 101 -4.612 -7.869 -3.939 1.00 0.00 H new ATOM 0 HA THR A 101 -3.265 -8.956 -1.550 1.00 0.00 H new ATOM 0 HB THR A 101 -5.128 -10.348 -3.496 1.00 0.00 H new ATOM 0 HG1 THR A 101 -6.743 -9.972 -1.830 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.411 -11.946 -1.635 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.712 -11.830 -2.149 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.249 -11.013 -0.663 1.00 0.00 H new ATOM 1480 N ALA A 102 -1.328 -9.675 -2.971 1.00 0.00 N ATOM 1481 CA ALA A 102 -0.209 -10.180 -3.749 1.00 0.00 C ATOM 1482 C ALA A 102 0.549 -11.258 -2.989 1.00 0.00 C ATOM 1483 O ALA A 102 0.813 -11.124 -1.793 1.00 0.00 O ATOM 1484 CB ALA A 102 0.725 -9.039 -4.128 1.00 0.00 C ATOM 0 H ALA A 102 -1.072 -9.280 -2.066 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.605 -10.630 -4.659 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.559 -9.430 -4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.180 -8.305 -4.722 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.105 -8.564 -3.223 1.00 0.00 H new ATOM 1490 N LEU A 103 0.877 -12.334 -3.682 1.00 0.00 N ATOM 1491 CA LEU A 103 1.681 -13.392 -3.098 1.00 0.00 C ATOM 1492 C LEU A 103 3.160 -13.099 -3.278 1.00 0.00 C ATOM 1493 O LEU A 103 3.627 -12.867 -4.394 1.00 0.00 O ATOM 1494 CB LEU A 103 1.345 -14.745 -3.725 1.00 0.00 C ATOM 1495 CG LEU A 103 -0.003 -15.337 -3.317 1.00 0.00 C ATOM 1496 CD1 LEU A 103 -0.239 -16.655 -4.034 1.00 0.00 C ATOM 1497 CD2 LEU A 103 -0.055 -15.535 -1.810 1.00 0.00 C ATOM 0 H LEU A 103 0.599 -12.498 -4.650 1.00 0.00 H new ATOM 0 HA LEU A 103 1.452 -13.434 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.363 -14.639 -4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.130 -15.454 -3.461 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.792 -14.642 -3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.203 -17.065 -3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.235 -16.489 -5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.552 -17.358 -3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.021 -15.957 -1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.740 -16.215 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.078 -14.575 -1.312 1.00 0.00 H new ATOM 1509 N VAL A 104 3.883 -13.096 -2.174 1.00 0.00 N ATOM 1510 CA VAL A 104 5.324 -12.923 -2.205 1.00 0.00 C ATOM 1511 C VAL A 104 5.992 -14.215 -1.763 1.00 0.00 C ATOM 1512 O VAL A 104 5.386 -15.019 -1.051 1.00 0.00 O ATOM 1513 CB VAL A 104 5.796 -11.760 -1.300 1.00 0.00 C ATOM 1514 CG1 VAL A 104 5.137 -10.452 -1.708 1.00 0.00 C ATOM 1515 CG2 VAL A 104 5.522 -12.059 0.164 1.00 0.00 C ATOM 0 H VAL A 104 3.493 -13.212 -1.239 1.00 0.00 H new ATOM 0 HA VAL A 104 5.607 -12.675 -3.228 1.00 0.00 H new ATOM 0 HB VAL A 104 6.873 -11.657 -1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.485 -9.650 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.398 -10.220 -2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 104 4.055 -10.547 -1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.864 -11.224 0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.452 -12.203 0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.053 -12.965 0.456 1.00 0.00 H new ATOM 1525 N GLY A 105 7.223 -14.423 -2.187 1.00 0.00 N ATOM 1526 CA GLY A 105 7.927 -15.626 -1.809 1.00 0.00 C ATOM 1527 C GLY A 105 9.195 -15.310 -1.058 1.00 0.00 C ATOM 1528 O GLY A 105 9.587 -14.148 -0.962 1.00 0.00 O ATOM 0 H GLY A 105 7.748 -13.784 -2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.281 -16.248 -1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 105 8.166 -16.205 -2.701 1.00 0.00 H new ATOM 1532 N THR A 106 9.831 -16.327 -0.509 1.00 0.00 N ATOM 1533 CA THR A 106 11.116 -16.150 0.131 1.00 0.00 C ATOM 1534 C THR A 106 12.203 -16.011 -0.929 1.00 0.00 C ATOM 1535 O THR A 106 11.946 -16.228 -2.115 1.00 0.00 O ATOM 1536 CB THR A 106 11.433 -17.325 1.075 1.00 0.00 C ATOM 1537 OG1 THR A 106 11.271 -18.568 0.384 1.00 0.00 O ATOM 1538 CG2 THR A 106 10.525 -17.298 2.294 1.00 0.00 C ATOM 0 H THR A 106 9.477 -17.284 -0.494 1.00 0.00 H new ATOM 0 HA THR A 106 11.081 -15.241 0.732 1.00 0.00 H new ATOM 0 HB THR A 106 12.467 -17.226 1.406 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.476 -19.309 0.991 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.767 -18.137 2.947 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.671 -16.363 2.836 1.00 0.00 H new ATOM 0 HG23 THR A 106 9.485 -17.374 1.975 1.00 0.00 H new ATOM 1546 N LEU A 107 13.399 -15.622 -0.520 1.00 0.00 N ATOM 1547 CA LEU A 107 14.484 -15.431 -1.464 1.00 0.00 C ATOM 1548 C LEU A 107 14.938 -16.765 -2.041 1.00 0.00 C ATOM 1549 O LEU A 107 15.771 -17.462 -1.459 1.00 0.00 O ATOM 1550 CB LEU A 107 15.668 -14.719 -0.812 1.00 0.00 C ATOM 1551 CG LEU A 107 16.780 -14.318 -1.784 1.00 0.00 C ATOM 1552 CD1 LEU A 107 16.310 -13.202 -2.703 1.00 0.00 C ATOM 1553 CD2 LEU A 107 18.028 -13.903 -1.027 1.00 0.00 C ATOM 0 H LEU A 107 13.641 -15.434 0.453 1.00 0.00 H new ATOM 0 HA LEU A 107 14.108 -14.804 -2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 107 15.304 -13.824 -0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 107 16.090 -15.369 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 107 17.028 -15.183 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 107 17.114 -12.931 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 107 15.446 -13.541 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 107 16.032 -12.333 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 107 18.807 -13.622 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 107 17.798 -13.053 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 107 18.377 -14.736 -0.416 1.00 0.00 H new ATOM 1565 N GLU A 108 14.383 -17.108 -3.192 1.00 0.00 N ATOM 1566 CA GLU A 108 14.714 -18.352 -3.876 1.00 0.00 C ATOM 1567 C GLU A 108 15.989 -18.194 -4.691 1.00 0.00 C ATOM 1568 O GLU A 108 16.313 -19.024 -5.537 1.00 0.00 O ATOM 1569 CB GLU A 108 13.556 -18.793 -4.772 1.00 0.00 C ATOM 1570 CG GLU A 108 12.375 -19.357 -3.998 1.00 0.00 C ATOM 1571 CD GLU A 108 12.727 -20.636 -3.262 1.00 0.00 C ATOM 1572 OE1 GLU A 108 13.168 -20.556 -2.096 1.00 0.00 O ATOM 1573 OE2 GLU A 108 12.569 -21.727 -3.849 1.00 0.00 O ATOM 0 H GLU A 108 13.693 -16.536 -3.679 1.00 0.00 H new ATOM 0 HA GLU A 108 14.883 -19.123 -3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 108 13.220 -17.942 -5.364 1.00 0.00 H new ATOM 0 HB3 GLU A 108 13.915 -19.547 -5.473 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.024 -18.613 -3.282 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.552 -19.551 -4.686 1.00 0.00 H new ATOM 1580 N HIS A 109 16.727 -17.130 -4.410 1.00 0.00 N ATOM 1581 CA HIS A 109 18.007 -16.899 -5.059 1.00 0.00 C ATOM 1582 C HIS A 109 19.073 -17.767 -4.393 1.00 0.00 C ATOM 1583 O HIS A 109 20.227 -17.799 -4.816 1.00 0.00 O ATOM 1584 CB HIS A 109 18.385 -15.417 -4.978 1.00 0.00 C ATOM 1585 CG HIS A 109 19.298 -14.964 -6.076 1.00 0.00 C ATOM 1586 ND1 HIS A 109 20.626 -14.660 -5.878 1.00 0.00 N ATOM 1587 CD2 HIS A 109 19.055 -14.738 -7.388 1.00 0.00 C ATOM 1588 CE1 HIS A 109 21.159 -14.266 -7.021 1.00 0.00 C ATOM 1589 NE2 HIS A 109 20.226 -14.303 -7.954 1.00 0.00 N ATOM 0 H HIS A 109 16.460 -16.413 -3.736 1.00 0.00 H new ATOM 0 HA HIS A 109 17.935 -17.170 -6.112 1.00 0.00 H new ATOM 0 HB2 HIS A 109 17.475 -14.818 -5.005 1.00 0.00 H new ATOM 0 HB3 HIS A 109 18.864 -15.226 -4.018 1.00 0.00 H new ATOM 0 HD2 HIS A 109 18.112 -14.875 -7.896 1.00 0.00 H new ATOM 0 HE1 HIS A 109 22.186 -13.964 -7.167 1.00 0.00 H new ATOM 0 HE2 HIS A 109 20.355 -14.050 -8.934 1.00 0.00 H new ATOM 1598 N HIS A 110 18.665 -18.462 -3.331 1.00 0.00 N ATOM 1599 CA HIS A 110 19.517 -19.443 -2.667 1.00 0.00 C ATOM 1600 C HIS A 110 19.224 -20.829 -3.226 1.00 0.00 C ATOM 1601 O HIS A 110 19.911 -21.801 -2.916 1.00 0.00 O ATOM 1602 CB HIS A 110 19.279 -19.451 -1.152 1.00 0.00 C ATOM 1603 CG HIS A 110 19.656 -18.177 -0.461 1.00 0.00 C ATOM 1604 ND1 HIS A 110 19.027 -17.731 0.682 1.00 0.00 N ATOM 1605 CD2 HIS A 110 20.609 -17.258 -0.746 1.00 0.00 C ATOM 1606 CE1 HIS A 110 19.574 -16.595 1.068 1.00 0.00 C ATOM 1607 NE2 HIS A 110 20.535 -16.287 0.221 1.00 0.00 N ATOM 0 H HIS A 110 17.741 -18.361 -2.911 1.00 0.00 H new ATOM 0 HA HIS A 110 20.556 -19.172 -2.852 1.00 0.00 H new ATOM 0 HB2 HIS A 110 18.225 -19.655 -0.963 1.00 0.00 H new ATOM 0 HB3 HIS A 110 19.846 -20.271 -0.711 1.00 0.00 H new ATOM 0 HD2 HIS A 110 21.298 -17.284 -1.578 1.00 0.00 H new ATOM 0 HE1 HIS A 110 19.284 -16.015 1.932 1.00 0.00 H new ATOM 0 HE2 HIS A 110 21.129 -15.459 0.275 1.00 0.00 H new ATOM 1616 N HIS A 111 18.199 -20.897 -4.068 1.00 0.00 N ATOM 1617 CA HIS A 111 17.760 -22.149 -4.670 1.00 0.00 C ATOM 1618 C HIS A 111 18.490 -22.354 -5.995 1.00 0.00 C ATOM 1619 O HIS A 111 17.981 -22.991 -6.916 1.00 0.00 O ATOM 1620 CB HIS A 111 16.245 -22.098 -4.901 1.00 0.00 C ATOM 1621 CG HIS A 111 15.574 -23.437 -4.956 1.00 0.00 C ATOM 1622 ND1 HIS A 111 14.216 -23.595 -4.805 1.00 0.00 N ATOM 1623 CD2 HIS A 111 16.073 -24.682 -5.138 1.00 0.00 C ATOM 1624 CE1 HIS A 111 13.909 -24.874 -4.892 1.00 0.00 C ATOM 1625 NE2 HIS A 111 15.019 -25.559 -5.093 1.00 0.00 N ATOM 0 H HIS A 111 17.650 -20.086 -4.352 1.00 0.00 H new ATOM 0 HA HIS A 111 17.989 -22.982 -4.005 1.00 0.00 H new ATOM 0 HB2 HIS A 111 15.789 -21.511 -4.104 1.00 0.00 H new ATOM 0 HB3 HIS A 111 16.051 -21.571 -5.835 1.00 0.00 H new ATOM 0 HD1 HIS A 111 13.549 -22.839 -4.650 1.00 0.00 H new ATOM 0 HD2 HIS A 111 17.111 -24.938 -5.291 1.00 0.00 H new ATOM 0 HE1 HIS A 111 12.916 -25.291 -4.812 1.00 0.00 H new ATOM 1634 N HIS A 112 19.692 -21.804 -6.070 1.00 0.00 N ATOM 1635 CA HIS A 112 20.493 -21.848 -7.280 1.00 0.00 C ATOM 1636 C HIS A 112 21.081 -23.240 -7.471 1.00 0.00 C ATOM 1637 O HIS A 112 21.904 -23.687 -6.672 1.00 0.00 O ATOM 1638 CB HIS A 112 21.613 -20.808 -7.191 1.00 0.00 C ATOM 1639 CG HIS A 112 22.258 -20.485 -8.502 1.00 0.00 C ATOM 1640 ND1 HIS A 112 23.426 -21.071 -8.939 1.00 0.00 N ATOM 1641 CD2 HIS A 112 21.903 -19.601 -9.461 1.00 0.00 C ATOM 1642 CE1 HIS A 112 23.760 -20.557 -10.107 1.00 0.00 C ATOM 1643 NE2 HIS A 112 22.853 -19.661 -10.449 1.00 0.00 N ATOM 0 H HIS A 112 20.138 -21.315 -5.294 1.00 0.00 H new ATOM 0 HA HIS A 112 19.860 -21.619 -8.137 1.00 0.00 H new ATOM 0 HB2 HIS A 112 21.208 -19.891 -6.763 1.00 0.00 H new ATOM 0 HB3 HIS A 112 22.377 -21.171 -6.503 1.00 0.00 H new ATOM 0 HD2 HIS A 112 21.031 -18.964 -9.451 1.00 0.00 H new ATOM 0 HE1 HIS A 112 24.631 -20.825 -10.687 1.00 0.00 H new ATOM 0 HE2 HIS A 112 22.858 -19.106 -11.305 1.00 0.00 H new ATOM 1652 N HIS A 113 20.649 -23.928 -8.517 1.00 0.00 N ATOM 1653 CA HIS A 113 21.175 -25.250 -8.821 1.00 0.00 C ATOM 1654 C HIS A 113 22.436 -25.102 -9.662 1.00 0.00 C ATOM 1655 O HIS A 113 23.549 -25.272 -9.168 1.00 0.00 O ATOM 1656 CB HIS A 113 20.126 -26.090 -9.562 1.00 0.00 C ATOM 1657 CG HIS A 113 20.461 -27.551 -9.645 1.00 0.00 C ATOM 1658 ND1 HIS A 113 20.792 -28.185 -10.827 1.00 0.00 N ATOM 1659 CD2 HIS A 113 20.488 -28.510 -8.688 1.00 0.00 C ATOM 1660 CE1 HIS A 113 21.007 -29.467 -10.590 1.00 0.00 C ATOM 1661 NE2 HIS A 113 20.831 -29.688 -9.304 1.00 0.00 N ATOM 0 H HIS A 113 19.938 -23.594 -9.168 1.00 0.00 H new ATOM 0 HA HIS A 113 21.419 -25.765 -7.892 1.00 0.00 H new ATOM 0 HB2 HIS A 113 19.165 -25.976 -9.061 1.00 0.00 H new ATOM 0 HB3 HIS A 113 20.008 -25.697 -10.572 1.00 0.00 H new ATOM 0 HD2 HIS A 113 20.279 -28.373 -7.637 1.00 0.00 H new ATOM 0 HE1 HIS A 113 21.281 -30.208 -11.326 1.00 0.00 H new ATOM 0 HE2 HIS A 113 20.933 -30.590 -8.840 1.00 0.00 H new ATOM 1670 N HIS A 114 22.247 -24.759 -10.927 1.00 0.00 N ATOM 1671 CA HIS A 114 23.351 -24.488 -11.838 1.00 0.00 C ATOM 1672 C HIS A 114 22.901 -23.475 -12.872 1.00 0.00 C ATOM 1673 O HIS A 114 22.305 -23.888 -13.886 1.00 0.00 O ATOM 1674 CB HIS A 114 23.841 -25.758 -12.544 1.00 0.00 C ATOM 1675 CG HIS A 114 24.547 -26.730 -11.650 1.00 0.00 C ATOM 1676 ND1 HIS A 114 25.802 -26.505 -11.134 1.00 0.00 N ATOM 1677 CD2 HIS A 114 24.157 -27.930 -11.171 1.00 0.00 C ATOM 1678 CE1 HIS A 114 26.154 -27.527 -10.377 1.00 0.00 C ATOM 1679 NE2 HIS A 114 25.172 -28.407 -10.381 1.00 0.00 N ATOM 1680 OXT HIS A 114 23.109 -22.268 -12.653 1.00 0.00 O ATOM 0 H HIS A 114 21.325 -24.660 -11.352 1.00 0.00 H new ATOM 0 HA HIS A 114 24.183 -24.096 -11.253 1.00 0.00 H new ATOM 0 HB2 HIS A 114 22.987 -26.258 -13.001 1.00 0.00 H new ATOM 0 HB3 HIS A 114 24.513 -25.473 -13.353 1.00 0.00 H new ATOM 0 HD2 HIS A 114 23.218 -28.424 -11.373 1.00 0.00 H new ATOM 0 HE1 HIS A 114 27.088 -27.626 -9.844 1.00 0.00 H new ATOM 0 HE2 HIS A 114 25.168 -29.295 -9.880 1.00 0.00 H new TER 1689 HIS A 114