USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 807 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 7 ASN : amide:sc= 1.02 K(o=2.2,f=0.027) USER MOD Set 1.2: A 60 TYR OH : rot 177:sc= 1.21 USER MOD Set 2.1: A 20 LYS NZ :NH3+ -176:sc= 0.21 (180deg=0) USER MOD Set 2.2: A 54 THR OG1 : rot -77:sc= 0.195 USER MOD Set 3.1: A 11 GLN : amide:sc= 1.08 K(o=2.3,f=-4.5) USER MOD Set 3.2: A 14 LYS NZ :NH3+ -137:sc= 1.22 (180deg=-0.204) USER MOD Single : A 8 CYS SG : rot -27:sc= 0.0214 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0618 USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 130:sc= 0.285 USER MOD Single : A 30 GLN : amide:sc= -0.28 K(o=-0.28,f=-1.3!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0871 K(o=-0.087,f=-2.5!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot -15:sc= 1.2 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.654! C(o=-0.65!,f=-2.1!) USER MOD Single : A 62 GLN : amide:sc= -0.197 K(o=-0.2,f=-2.3!) USER MOD Single : A 63 GLN : amide:sc= -0.515 K(o=-0.51,f=-3.9!) USER MOD Single : A 65 THR OG1 : rot -32:sc= 1.26 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0975 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 19:sc= 1.64 USER MOD Single : A 83 CYS SG : rot -130:sc= -0.0104 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.878 X(o=-0.88,f=-0.59) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -0.0675 K(o=-0.067,f=-0.61) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD ----------------------------------------------------------------- ATOM 45 N PHE A 5 -0.514 10.467 -9.904 1.00 0.00 N ATOM 46 CA PHE A 5 0.680 9.729 -9.492 1.00 0.00 C ATOM 47 C PHE A 5 0.313 8.379 -8.873 1.00 0.00 C ATOM 48 O PHE A 5 0.867 7.353 -9.260 1.00 0.00 O ATOM 49 CB PHE A 5 1.509 10.578 -8.524 1.00 0.00 C ATOM 50 CG PHE A 5 2.781 9.902 -8.043 1.00 0.00 C ATOM 51 CD1 PHE A 5 3.976 10.041 -8.774 1.00 0.00 C ATOM 52 CD2 PHE A 5 2.778 9.140 -6.857 1.00 0.00 C ATOM 53 CE1 PHE A 5 5.162 9.442 -8.312 1.00 0.00 C ATOM 54 CE2 PHE A 5 3.965 8.546 -6.397 1.00 0.00 C ATOM 55 CZ PHE A 5 5.159 8.697 -7.121 1.00 0.00 C ATOM 0 HA PHE A 5 1.283 9.522 -10.376 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.771 11.516 -9.013 1.00 0.00 H new ATOM 0 HB3 PHE A 5 0.894 10.830 -7.660 1.00 0.00 H new ATOM 0 HD1 PHE A 5 3.982 10.609 -9.692 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.861 9.013 -6.301 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.077 9.555 -8.874 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.959 7.971 -5.483 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.071 8.242 -6.764 1.00 0.00 H new ATOM 65 N VAL A 6 -0.655 8.378 -7.954 1.00 0.00 N ATOM 66 CA VAL A 6 -1.170 7.173 -7.320 1.00 0.00 C ATOM 67 C VAL A 6 -1.838 6.276 -8.367 1.00 0.00 C ATOM 68 O VAL A 6 -1.481 5.103 -8.484 1.00 0.00 O ATOM 69 CB VAL A 6 -2.119 7.591 -6.177 1.00 0.00 C ATOM 70 CG1 VAL A 6 -3.086 6.493 -5.735 1.00 0.00 C ATOM 71 CG2 VAL A 6 -1.314 8.048 -4.953 1.00 0.00 C ATOM 0 H VAL A 6 -1.108 9.232 -7.627 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.366 6.581 -6.883 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.716 8.406 -6.585 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.717 6.867 -4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.711 6.197 -6.578 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.521 5.630 -5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.998 8.339 -4.156 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.681 7.230 -4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.690 8.899 -5.225 1.00 0.00 H new ATOM 81 N ASN A 7 -2.795 6.821 -9.124 1.00 0.00 N ATOM 82 CA ASN A 7 -3.628 6.067 -10.058 1.00 0.00 C ATOM 83 C ASN A 7 -2.772 5.344 -11.091 1.00 0.00 C ATOM 84 O ASN A 7 -3.077 4.211 -11.450 1.00 0.00 O ATOM 85 CB ASN A 7 -4.642 6.989 -10.763 1.00 0.00 C ATOM 86 CG ASN A 7 -5.802 7.378 -9.855 1.00 0.00 C ATOM 87 OD1 ASN A 7 -5.611 7.634 -8.670 1.00 0.00 O ATOM 88 ND2 ASN A 7 -7.013 7.470 -10.372 1.00 0.00 N ATOM 0 H ASN A 7 -3.014 7.817 -9.102 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.179 5.324 -9.482 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.133 7.890 -11.104 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.030 6.487 -11.649 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.797 7.755 -9.786 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.164 7.256 -11.358 1.00 0.00 H new ATOM 95 N CYS A 8 -1.694 5.978 -11.555 1.00 0.00 N ATOM 96 CA CYS A 8 -0.773 5.403 -12.517 1.00 0.00 C ATOM 97 C CYS A 8 0.089 4.299 -11.888 1.00 0.00 C ATOM 98 O CYS A 8 0.495 3.391 -12.608 1.00 0.00 O ATOM 99 CB CYS A 8 0.092 6.527 -13.105 1.00 0.00 C ATOM 100 SG CYS A 8 1.048 5.927 -14.527 1.00 0.00 S ATOM 0 H CYS A 8 -1.438 6.921 -11.263 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.341 4.928 -13.317 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.543 7.358 -13.412 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.769 6.909 -12.341 1.00 0.00 H new ATOM 0 HG CYS A 8 1.259 4.650 -14.401 1.00 0.00 H new ATOM 106 N LYS A 9 0.408 4.335 -10.586 1.00 0.00 N ATOM 107 CA LYS A 9 1.215 3.268 -9.983 1.00 0.00 C ATOM 108 C LYS A 9 0.390 2.014 -9.743 1.00 0.00 C ATOM 109 O LYS A 9 0.892 0.924 -10.028 1.00 0.00 O ATOM 110 CB LYS A 9 1.906 3.705 -8.680 1.00 0.00 C ATOM 111 CG LYS A 9 3.042 4.720 -8.860 1.00 0.00 C ATOM 112 CD LYS A 9 4.161 4.240 -9.790 1.00 0.00 C ATOM 113 CE LYS A 9 5.274 5.283 -9.906 1.00 0.00 C ATOM 114 NZ LYS A 9 6.140 4.996 -11.064 1.00 0.00 N ATOM 0 H LYS A 9 0.126 5.075 -9.943 1.00 0.00 H new ATOM 0 HA LYS A 9 1.998 3.041 -10.706 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.157 4.134 -8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.304 2.821 -8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.628 5.648 -9.254 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.468 4.951 -7.884 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.574 3.305 -9.412 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.751 4.031 -10.778 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.838 6.277 -10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.870 5.289 -8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.889 5.715 -11.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.571 4.056 -10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.572 5.013 -11.935 1.00 0.00 H new ATOM 128 N ILE A 10 -0.824 2.124 -9.189 1.00 0.00 N ATOM 129 CA ILE A 10 -1.608 0.928 -8.909 1.00 0.00 C ATOM 130 C ILE A 10 -1.939 0.265 -10.249 1.00 0.00 C ATOM 131 O ILE A 10 -2.129 0.942 -11.258 1.00 0.00 O ATOM 132 CB ILE A 10 -2.886 1.251 -8.115 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.698 2.240 -6.945 1.00 0.00 C ATOM 134 CG2 ILE A 10 -3.477 -0.033 -7.512 1.00 0.00 C ATOM 135 CD1 ILE A 10 -3.874 3.210 -6.923 1.00 0.00 C ATOM 0 H ILE A 10 -1.270 3.005 -8.934 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.030 0.249 -8.282 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.542 1.719 -8.849 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.638 1.699 -6.001 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.762 2.786 -7.060 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.381 0.210 -6.953 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.722 -0.731 -8.312 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.748 -0.490 -6.843 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.750 3.913 -6.099 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.912 3.757 -7.865 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.802 2.654 -6.789 1.00 0.00 H new ATOM 147 N GLN A 11 -2.046 -1.058 -10.260 1.00 0.00 N ATOM 148 CA GLN A 11 -2.424 -1.833 -11.426 1.00 0.00 C ATOM 149 C GLN A 11 -3.263 -3.006 -10.909 1.00 0.00 C ATOM 150 O GLN A 11 -3.008 -3.475 -9.789 1.00 0.00 O ATOM 151 CB GLN A 11 -1.122 -2.236 -12.141 1.00 0.00 C ATOM 152 CG GLN A 11 -1.278 -3.004 -13.456 1.00 0.00 C ATOM 153 CD GLN A 11 0.077 -3.081 -14.159 1.00 0.00 C ATOM 154 OE1 GLN A 11 0.942 -3.881 -13.799 1.00 0.00 O ATOM 155 NE2 GLN A 11 0.326 -2.218 -15.128 1.00 0.00 N ATOM 0 H GLN A 11 -1.867 -1.632 -9.436 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.029 -1.299 -12.159 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.547 -1.331 -12.340 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.531 -2.846 -11.457 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.658 -4.007 -13.262 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.006 -2.506 -14.097 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.395 -1.558 -15.421 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.239 -2.211 -15.583 1.00 0.00 H new ATOM 164 N PRO A 12 -4.276 -3.475 -11.656 1.00 0.00 N ATOM 165 CA PRO A 12 -5.026 -4.656 -11.269 1.00 0.00 C ATOM 166 C PRO A 12 -4.069 -5.845 -11.214 1.00 0.00 C ATOM 167 O PRO A 12 -3.304 -6.094 -12.147 1.00 0.00 O ATOM 168 CB PRO A 12 -6.144 -4.815 -12.302 1.00 0.00 C ATOM 169 CG PRO A 12 -5.619 -4.063 -13.523 1.00 0.00 C ATOM 170 CD PRO A 12 -4.802 -2.934 -12.900 1.00 0.00 C ATOM 0 HA PRO A 12 -5.477 -4.581 -10.280 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.333 -5.864 -12.529 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.083 -4.392 -11.944 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.006 -4.702 -14.159 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.430 -3.681 -14.142 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.996 -2.621 -13.563 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.422 -2.057 -12.715 1.00 0.00 H new ATOM 178 N GLY A 13 -4.096 -6.576 -10.107 1.00 0.00 N ATOM 179 CA GLY A 13 -3.215 -7.698 -9.847 1.00 0.00 C ATOM 180 C GLY A 13 -1.840 -7.308 -9.306 1.00 0.00 C ATOM 181 O GLY A 13 -0.963 -8.169 -9.287 1.00 0.00 O ATOM 0 H GLY A 13 -4.751 -6.396 -9.346 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.697 -8.365 -9.133 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.082 -8.262 -10.770 1.00 0.00 H new ATOM 185 N LYS A 14 -1.620 -6.066 -8.855 1.00 0.00 N ATOM 186 CA LYS A 14 -0.376 -5.668 -8.184 1.00 0.00 C ATOM 187 C LYS A 14 -0.668 -5.251 -6.746 1.00 0.00 C ATOM 188 O LYS A 14 -1.830 -5.088 -6.365 1.00 0.00 O ATOM 189 CB LYS A 14 0.325 -4.542 -8.977 1.00 0.00 C ATOM 190 CG LYS A 14 1.533 -5.062 -9.779 1.00 0.00 C ATOM 191 CD LYS A 14 2.792 -4.184 -9.678 1.00 0.00 C ATOM 192 CE LYS A 14 2.942 -3.145 -10.795 1.00 0.00 C ATOM 193 NZ LYS A 14 3.128 -3.766 -12.124 1.00 0.00 N ATOM 0 H LYS A 14 -2.299 -5.310 -8.945 1.00 0.00 H new ATOM 0 HA LYS A 14 0.305 -6.519 -8.152 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.390 -4.080 -9.658 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.656 -3.765 -8.287 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.777 -6.066 -9.433 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.248 -5.146 -10.828 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.781 -3.667 -8.719 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.670 -4.830 -9.682 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.058 -2.508 -10.816 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.794 -2.501 -10.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.873 -3.258 -12.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.405 -4.762 -12.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.237 -3.715 -12.659 1.00 0.00 H new ATOM 207 N VAL A 15 0.382 -5.062 -5.949 1.00 0.00 N ATOM 208 CA VAL A 15 0.301 -4.697 -4.546 1.00 0.00 C ATOM 209 C VAL A 15 1.126 -3.430 -4.366 1.00 0.00 C ATOM 210 O VAL A 15 2.348 -3.458 -4.499 1.00 0.00 O ATOM 211 CB VAL A 15 0.768 -5.855 -3.641 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.478 -5.477 -2.189 1.00 0.00 C ATOM 213 CG2 VAL A 15 0.081 -7.179 -3.989 1.00 0.00 C ATOM 0 H VAL A 15 1.342 -5.163 -6.278 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.729 -4.502 -4.247 1.00 0.00 H new ATOM 0 HB VAL A 15 1.836 -6.007 -3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.801 -6.284 -1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.018 -4.564 -1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.592 -5.313 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.443 -7.963 -3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.997 -7.072 -3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.307 -7.446 -5.021 1.00 0.00 H new ATOM 223 N VAL A 16 0.458 -2.307 -4.123 1.00 0.00 N ATOM 224 CA VAL A 16 1.086 -1.001 -4.086 1.00 0.00 C ATOM 225 C VAL A 16 0.728 -0.340 -2.767 1.00 0.00 C ATOM 226 O VAL A 16 -0.426 0.002 -2.518 1.00 0.00 O ATOM 227 CB VAL A 16 0.684 -0.177 -5.321 1.00 0.00 C ATOM 228 CG1 VAL A 16 1.502 1.116 -5.361 1.00 0.00 C ATOM 229 CG2 VAL A 16 0.939 -0.989 -6.602 1.00 0.00 C ATOM 0 H VAL A 16 -0.546 -2.283 -3.945 1.00 0.00 H new ATOM 0 HA VAL A 16 2.172 -1.083 -4.133 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.377 0.065 -5.259 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.217 1.700 -6.236 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.309 1.697 -4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.563 0.874 -5.416 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.651 -0.397 -7.471 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.997 -1.241 -6.669 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.349 -1.905 -6.575 1.00 0.00 H new ATOM 239 N VAL A 17 1.722 -0.185 -1.908 1.00 0.00 N ATOM 240 CA VAL A 17 1.637 0.606 -0.699 1.00 0.00 C ATOM 241 C VAL A 17 2.316 1.929 -1.005 1.00 0.00 C ATOM 242 O VAL A 17 3.491 1.960 -1.378 1.00 0.00 O ATOM 243 CB VAL A 17 2.270 -0.104 0.509 1.00 0.00 C ATOM 244 CG1 VAL A 17 1.921 0.643 1.805 1.00 0.00 C ATOM 245 CG2 VAL A 17 1.780 -1.551 0.643 1.00 0.00 C ATOM 0 H VAL A 17 2.635 -0.620 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 17 0.596 0.761 -0.414 1.00 0.00 H new ATOM 0 HB VAL A 17 3.348 -0.109 0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.375 0.131 2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.302 1.663 1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.839 0.666 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.252 -2.016 1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.698 -1.558 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.042 -2.109 -0.256 1.00 0.00 H new ATOM 255 N PHE A 18 1.570 3.020 -0.865 1.00 0.00 N ATOM 256 CA PHE A 18 2.146 4.353 -0.890 1.00 0.00 C ATOM 257 C PHE A 18 2.721 4.616 0.491 1.00 0.00 C ATOM 258 O PHE A 18 2.046 4.385 1.502 1.00 0.00 O ATOM 259 CB PHE A 18 1.072 5.375 -1.272 1.00 0.00 C ATOM 260 CG PHE A 18 0.640 5.146 -2.701 1.00 0.00 C ATOM 261 CD1 PHE A 18 1.416 5.649 -3.763 1.00 0.00 C ATOM 262 CD2 PHE A 18 -0.449 4.299 -2.964 1.00 0.00 C ATOM 263 CE1 PHE A 18 1.080 5.327 -5.088 1.00 0.00 C ATOM 264 CE2 PHE A 18 -0.782 3.974 -4.286 1.00 0.00 C ATOM 265 CZ PHE A 18 -0.026 4.499 -5.345 1.00 0.00 C ATOM 0 H PHE A 18 0.559 3.003 -0.732 1.00 0.00 H new ATOM 0 HA PHE A 18 2.937 4.438 -1.635 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.216 5.285 -0.604 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.461 6.387 -1.157 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.268 6.281 -3.559 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.030 3.898 -2.147 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.669 5.714 -5.906 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.618 3.321 -4.489 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.296 4.265 -6.364 1.00 0.00 H new ATOM 275 N ILE A 19 3.970 5.064 0.524 1.00 0.00 N ATOM 276 CA ILE A 19 4.774 5.216 1.719 1.00 0.00 C ATOM 277 C ILE A 19 5.581 6.509 1.656 1.00 0.00 C ATOM 278 O ILE A 19 5.646 7.174 0.624 1.00 0.00 O ATOM 279 CB ILE A 19 5.727 4.007 1.877 1.00 0.00 C ATOM 280 CG1 ILE A 19 6.711 3.827 0.698 1.00 0.00 C ATOM 281 CG2 ILE A 19 4.946 2.718 2.162 1.00 0.00 C ATOM 282 CD1 ILE A 19 8.131 3.503 1.169 1.00 0.00 C ATOM 0 H ILE A 19 4.467 5.342 -0.322 1.00 0.00 H new ATOM 0 HA ILE A 19 4.109 5.260 2.581 1.00 0.00 H new ATOM 0 HB ILE A 19 6.350 4.231 2.743 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.355 3.027 0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.728 4.738 0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.643 1.886 2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.376 2.834 3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.263 2.516 1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.784 3.386 0.304 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.501 4.315 1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.121 2.577 1.744 1.00 0.00 H new ATOM 294 N LYS A 20 6.255 6.827 2.757 1.00 0.00 N ATOM 295 CA LYS A 20 7.364 7.762 2.806 1.00 0.00 C ATOM 296 C LYS A 20 8.418 7.156 3.724 1.00 0.00 C ATOM 297 O LYS A 20 8.043 6.519 4.710 1.00 0.00 O ATOM 298 CB LYS A 20 6.906 9.153 3.259 1.00 0.00 C ATOM 299 CG LYS A 20 5.827 9.182 4.343 1.00 0.00 C ATOM 300 CD LYS A 20 5.531 10.610 4.814 1.00 0.00 C ATOM 301 CE LYS A 20 5.126 11.551 3.675 1.00 0.00 C ATOM 302 NZ LYS A 20 4.669 12.866 4.170 1.00 0.00 N ATOM 0 H LYS A 20 6.033 6.425 3.668 1.00 0.00 H new ATOM 0 HA LYS A 20 7.790 7.916 1.814 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.776 9.699 3.625 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.533 9.693 2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.913 8.730 3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.148 8.579 5.192 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.732 10.583 5.555 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.414 11.012 5.312 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.974 11.692 3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.331 11.089 3.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.342 13.444 3.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.887 12.731 4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.456 13.350 4.647 1.00 0.00 H new ATOM 316 N PRO A 21 9.716 7.342 3.446 1.00 0.00 N ATOM 317 CA PRO A 21 10.762 6.625 4.159 1.00 0.00 C ATOM 318 C PRO A 21 10.978 7.200 5.563 1.00 0.00 C ATOM 319 O PRO A 21 11.623 6.570 6.402 1.00 0.00 O ATOM 320 CB PRO A 21 12.005 6.791 3.284 1.00 0.00 C ATOM 321 CG PRO A 21 11.803 8.160 2.633 1.00 0.00 C ATOM 322 CD PRO A 21 10.287 8.233 2.446 1.00 0.00 C ATOM 0 HA PRO A 21 10.510 5.576 4.316 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.920 6.759 3.876 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.080 5.999 2.539 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.170 8.967 3.267 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.331 8.236 1.682 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.926 9.253 2.580 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.003 7.924 1.440 1.00 0.00 H new ATOM 330 N THR A 22 10.458 8.396 5.829 1.00 0.00 N ATOM 331 CA THR A 22 10.532 9.123 7.081 1.00 0.00 C ATOM 332 C THR A 22 9.744 8.399 8.184 1.00 0.00 C ATOM 333 O THR A 22 10.272 8.179 9.279 1.00 0.00 O ATOM 334 CB THR A 22 10.022 10.550 6.798 1.00 0.00 C ATOM 335 OG1 THR A 22 8.841 10.503 6.017 1.00 0.00 O ATOM 336 CG2 THR A 22 11.034 11.360 5.980 1.00 0.00 C ATOM 0 H THR A 22 9.938 8.914 5.121 1.00 0.00 H new ATOM 0 HA THR A 22 11.554 9.177 7.457 1.00 0.00 H new ATOM 0 HB THR A 22 9.852 11.014 7.770 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.526 11.415 5.845 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.639 12.360 5.800 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.972 11.433 6.531 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.212 10.863 5.026 1.00 0.00 H new ATOM 344 N CYS A 23 8.498 8.012 7.894 1.00 0.00 N ATOM 345 CA CYS A 23 7.558 7.459 8.852 1.00 0.00 C ATOM 346 C CYS A 23 7.935 6.001 9.190 1.00 0.00 C ATOM 347 O CYS A 23 7.904 5.157 8.288 1.00 0.00 O ATOM 348 CB CYS A 23 6.132 7.566 8.268 1.00 0.00 C ATOM 349 SG CYS A 23 5.059 8.764 9.083 1.00 0.00 S ATOM 0 H CYS A 23 8.111 8.081 6.953 1.00 0.00 H new ATOM 0 HA CYS A 23 7.594 8.022 9.785 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.207 7.828 7.213 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.660 6.585 8.320 1.00 0.00 H new ATOM 0 HG CYS A 23 3.894 8.766 8.506 1.00 0.00 H new ATOM 354 N PRO A 24 8.180 5.644 10.464 1.00 0.00 N ATOM 355 CA PRO A 24 8.432 4.264 10.876 1.00 0.00 C ATOM 356 C PRO A 24 7.197 3.366 10.695 1.00 0.00 C ATOM 357 O PRO A 24 7.304 2.139 10.734 1.00 0.00 O ATOM 358 CB PRO A 24 8.860 4.351 12.341 1.00 0.00 C ATOM 359 CG PRO A 24 8.143 5.602 12.842 1.00 0.00 C ATOM 360 CD PRO A 24 8.164 6.520 11.624 1.00 0.00 C ATOM 0 HA PRO A 24 9.202 3.803 10.257 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.561 3.465 12.901 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.942 4.441 12.439 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.125 5.382 13.164 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.657 6.049 13.693 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.289 7.170 11.610 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.042 7.166 11.637 1.00 0.00 H new ATOM 368 N TYR A 25 6.028 3.950 10.432 1.00 0.00 N ATOM 369 CA TYR A 25 4.818 3.209 10.113 1.00 0.00 C ATOM 370 C TYR A 25 4.919 2.649 8.694 1.00 0.00 C ATOM 371 O TYR A 25 4.410 1.566 8.417 1.00 0.00 O ATOM 372 CB TYR A 25 3.624 4.162 10.231 1.00 0.00 C ATOM 373 CG TYR A 25 3.443 4.655 11.650 1.00 0.00 C ATOM 374 CD1 TYR A 25 2.827 3.827 12.609 1.00 0.00 C ATOM 375 CD2 TYR A 25 3.980 5.900 12.031 1.00 0.00 C ATOM 376 CE1 TYR A 25 2.732 4.249 13.944 1.00 0.00 C ATOM 377 CE2 TYR A 25 3.914 6.313 13.371 1.00 0.00 C ATOM 378 CZ TYR A 25 3.280 5.491 14.328 1.00 0.00 C ATOM 379 OH TYR A 25 3.182 5.883 15.623 1.00 0.00 O ATOM 0 H TYR A 25 5.898 4.962 10.436 1.00 0.00 H new ATOM 0 HA TYR A 25 4.688 2.374 10.802 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.770 5.013 9.565 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.718 3.653 9.904 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.428 2.867 12.317 1.00 0.00 H new ATOM 0 HD2 TYR A 25 4.443 6.537 11.292 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.241 3.625 14.676 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.347 7.257 13.669 1.00 0.00 H new ATOM 0 HH TYR A 25 3.607 6.759 15.733 1.00 0.00 H new ATOM 389 N CYS A 26 5.615 3.343 7.790 1.00 0.00 N ATOM 390 CA CYS A 26 5.856 2.827 6.454 1.00 0.00 C ATOM 391 C CYS A 26 6.889 1.699 6.540 1.00 0.00 C ATOM 392 O CYS A 26 6.724 0.663 5.899 1.00 0.00 O ATOM 393 CB CYS A 26 6.350 3.963 5.568 1.00 0.00 C ATOM 394 SG CYS A 26 4.940 5.055 5.209 1.00 0.00 S ATOM 0 H CYS A 26 6.019 4.263 7.966 1.00 0.00 H new ATOM 0 HA CYS A 26 4.940 2.426 6.020 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.143 4.518 6.068 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.771 3.569 4.643 1.00 0.00 H new ATOM 0 HG CYS A 26 5.271 6.287 5.458 1.00 0.00 H new ATOM 400 N ARG A 27 7.903 1.860 7.403 1.00 0.00 N ATOM 401 CA ARG A 27 8.852 0.797 7.728 1.00 0.00 C ATOM 402 C ARG A 27 8.102 -0.462 8.156 1.00 0.00 C ATOM 403 O ARG A 27 8.398 -1.537 7.641 1.00 0.00 O ATOM 404 CB ARG A 27 9.819 1.257 8.828 1.00 0.00 C ATOM 405 CG ARG A 27 11.202 0.600 8.741 1.00 0.00 C ATOM 406 CD ARG A 27 12.013 0.988 9.987 1.00 0.00 C ATOM 407 NE ARG A 27 13.316 1.607 9.695 1.00 0.00 N ATOM 408 CZ ARG A 27 13.537 2.911 9.493 1.00 0.00 C ATOM 409 NH1 ARG A 27 12.576 3.712 9.049 1.00 0.00 N ATOM 410 NH2 ARG A 27 14.730 3.422 9.753 1.00 0.00 N ATOM 0 H ARG A 27 8.084 2.735 7.894 1.00 0.00 H new ATOM 0 HA ARG A 27 9.438 0.565 6.839 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.935 2.339 8.769 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.381 1.036 9.801 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.102 -0.484 8.678 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.718 0.925 7.838 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.423 1.679 10.589 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.175 0.096 10.592 1.00 0.00 H new ATOM 0 HE ARG A 27 14.123 0.986 9.642 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.648 3.336 8.855 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.766 4.703 8.902 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.476 2.822 10.106 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.903 4.416 9.601 1.00 0.00 H new ATOM 424 N ARG A 28 7.104 -0.311 9.042 1.00 0.00 N ATOM 425 CA ARG A 28 6.233 -1.407 9.449 1.00 0.00 C ATOM 426 C ARG A 28 5.596 -2.050 8.235 1.00 0.00 C ATOM 427 O ARG A 28 5.696 -3.258 8.088 1.00 0.00 O ATOM 428 CB ARG A 28 5.139 -0.959 10.424 1.00 0.00 C ATOM 429 CG ARG A 28 4.401 -2.170 11.031 1.00 0.00 C ATOM 430 CD ARG A 28 4.750 -2.473 12.491 1.00 0.00 C ATOM 431 NE ARG A 28 6.166 -2.824 12.691 1.00 0.00 N ATOM 432 CZ ARG A 28 6.790 -2.943 13.869 1.00 0.00 C ATOM 433 NH1 ARG A 28 6.144 -2.806 15.025 1.00 0.00 N ATOM 434 NH2 ARG A 28 8.089 -3.196 13.858 1.00 0.00 N ATOM 0 H ARG A 28 6.885 0.578 9.492 1.00 0.00 H new ATOM 0 HA ARG A 28 6.861 -2.131 9.969 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.582 -0.363 11.222 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.426 -0.318 9.905 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.327 -1.997 10.958 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.623 -3.051 10.429 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.508 -1.604 13.103 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.126 -3.294 12.843 1.00 0.00 H new ATOM 0 HE ARG A 28 6.723 -2.992 11.853 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.144 -2.604 15.030 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.649 -2.903 15.906 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.582 -3.294 12.970 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.597 -3.293 14.737 1.00 0.00 H new ATOM 448 N ALA A 29 4.898 -1.278 7.405 1.00 0.00 N ATOM 449 CA ALA A 29 4.201 -1.858 6.257 1.00 0.00 C ATOM 450 C ALA A 29 5.134 -2.695 5.374 1.00 0.00 C ATOM 451 O ALA A 29 4.709 -3.753 4.912 1.00 0.00 O ATOM 452 CB ALA A 29 3.496 -0.795 5.419 1.00 0.00 C ATOM 0 H ALA A 29 4.800 -0.267 7.501 1.00 0.00 H new ATOM 0 HA ALA A 29 3.443 -2.523 6.671 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.992 -1.270 4.578 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.762 -0.274 6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.230 -0.080 5.046 1.00 0.00 H new ATOM 458 N GLN A 30 6.384 -2.273 5.156 1.00 0.00 N ATOM 459 CA GLN A 30 7.359 -3.062 4.431 1.00 0.00 C ATOM 460 C GLN A 30 7.608 -4.428 5.038 1.00 0.00 C ATOM 461 O GLN A 30 7.669 -5.406 4.294 1.00 0.00 O ATOM 462 CB GLN A 30 8.698 -2.312 4.324 1.00 0.00 C ATOM 463 CG GLN A 30 8.825 -1.648 2.961 1.00 0.00 C ATOM 464 CD GLN A 30 8.445 -0.172 2.986 1.00 0.00 C ATOM 465 OE1 GLN A 30 7.347 0.206 2.604 1.00 0.00 O ATOM 466 NE2 GLN A 30 9.357 0.678 3.426 1.00 0.00 N ATOM 0 H GLN A 30 6.738 -1.374 5.481 1.00 0.00 H new ATOM 0 HA GLN A 30 6.929 -3.218 3.442 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.765 -1.560 5.110 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.524 -3.006 4.476 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.851 -1.748 2.607 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.189 -2.170 2.247 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.265 0.335 3.739 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.152 1.677 3.453 1.00 0.00 H new ATOM 475 N GLU A 31 7.841 -4.511 6.342 1.00 0.00 N ATOM 476 CA GLU A 31 8.150 -5.788 6.974 1.00 0.00 C ATOM 477 C GLU A 31 6.877 -6.617 7.067 1.00 0.00 C ATOM 478 O GLU A 31 6.874 -7.772 6.654 1.00 0.00 O ATOM 479 CB GLU A 31 8.891 -5.591 8.313 1.00 0.00 C ATOM 480 CG GLU A 31 8.161 -4.710 9.340 1.00 0.00 C ATOM 481 CD GLU A 31 8.984 -4.293 10.561 1.00 0.00 C ATOM 482 OE1 GLU A 31 9.975 -4.963 10.919 1.00 0.00 O ATOM 483 OE2 GLU A 31 8.609 -3.273 11.192 1.00 0.00 O ATOM 0 H GLU A 31 7.822 -3.715 6.979 1.00 0.00 H new ATOM 0 HA GLU A 31 8.852 -6.355 6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.070 -6.570 8.759 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.867 -5.151 8.109 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.812 -3.809 8.835 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.277 -5.245 9.686 1.00 0.00 H new ATOM 490 N ILE A 32 5.777 -5.992 7.481 1.00 0.00 N ATOM 491 CA ILE A 32 4.456 -6.592 7.554 1.00 0.00 C ATOM 492 C ILE A 32 4.122 -7.292 6.249 1.00 0.00 C ATOM 493 O ILE A 32 3.731 -8.462 6.269 1.00 0.00 O ATOM 494 CB ILE A 32 3.403 -5.523 7.933 1.00 0.00 C ATOM 495 CG1 ILE A 32 3.345 -5.421 9.470 1.00 0.00 C ATOM 496 CG2 ILE A 32 1.992 -5.746 7.367 1.00 0.00 C ATOM 497 CD1 ILE A 32 2.306 -4.421 9.986 1.00 0.00 C ATOM 0 H ILE A 32 5.786 -5.018 7.785 1.00 0.00 H new ATOM 0 HA ILE A 32 4.445 -7.349 8.338 1.00 0.00 H new ATOM 0 HB ILE A 32 3.736 -4.594 7.470 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.123 -6.406 9.882 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.328 -5.134 9.843 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.337 -4.939 7.695 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.035 -5.759 6.278 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.602 -6.698 7.726 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.325 -4.406 11.076 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.538 -3.426 9.605 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.314 -4.718 9.645 1.00 0.00 H new ATOM 509 N LEU A 33 4.208 -6.555 5.136 1.00 0.00 N ATOM 510 CA LEU A 33 3.752 -7.099 3.878 1.00 0.00 C ATOM 511 C LEU A 33 4.829 -7.980 3.279 1.00 0.00 C ATOM 512 O LEU A 33 4.471 -9.021 2.741 1.00 0.00 O ATOM 513 CB LEU A 33 3.322 -6.039 2.854 1.00 0.00 C ATOM 514 CG LEU A 33 1.900 -5.462 3.027 1.00 0.00 C ATOM 515 CD1 LEU A 33 1.526 -4.731 1.736 1.00 0.00 C ATOM 516 CD2 LEU A 33 0.811 -6.517 3.275 1.00 0.00 C ATOM 0 H LEU A 33 4.581 -5.607 5.091 1.00 0.00 H new ATOM 0 HA LEU A 33 2.859 -7.680 4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.034 -5.214 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.396 -6.475 1.858 1.00 0.00 H new ATOM 0 HG LEU A 33 1.936 -4.818 3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.524 -4.313 1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.239 -3.927 1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.549 -5.432 0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.155 -6.024 3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.773 -7.206 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.041 -7.071 4.185 1.00 0.00 H new ATOM 528 N SER A 34 6.118 -7.605 3.319 1.00 0.00 N ATOM 529 CA SER A 34 7.101 -8.447 2.638 1.00 0.00 C ATOM 530 C SER A 34 7.325 -9.791 3.357 1.00 0.00 C ATOM 531 O SER A 34 7.779 -10.739 2.712 1.00 0.00 O ATOM 532 CB SER A 34 8.393 -7.662 2.406 1.00 0.00 C ATOM 533 OG SER A 34 9.289 -8.344 1.547 1.00 0.00 O ATOM 0 H SER A 34 6.484 -6.776 3.786 1.00 0.00 H new ATOM 0 HA SER A 34 6.703 -8.718 1.660 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.152 -6.689 1.978 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.880 -7.477 3.363 1.00 0.00 H new ATOM 0 HG SER A 34 10.099 -7.806 1.426 1.00 0.00 H new ATOM 539 N GLN A 35 6.959 -9.928 4.638 1.00 0.00 N ATOM 540 CA GLN A 35 6.987 -11.216 5.333 1.00 0.00 C ATOM 541 C GLN A 35 5.843 -12.134 4.880 1.00 0.00 C ATOM 542 O GLN A 35 5.856 -13.328 5.194 1.00 0.00 O ATOM 543 CB GLN A 35 6.913 -10.997 6.854 1.00 0.00 C ATOM 544 CG GLN A 35 8.200 -10.398 7.446 1.00 0.00 C ATOM 545 CD GLN A 35 9.298 -11.434 7.665 1.00 0.00 C ATOM 546 OE1 GLN A 35 9.687 -12.162 6.754 1.00 0.00 O ATOM 547 NE2 GLN A 35 9.849 -11.495 8.862 1.00 0.00 N ATOM 0 H GLN A 35 6.637 -9.152 5.217 1.00 0.00 H new ATOM 0 HA GLN A 35 7.927 -11.707 5.080 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.076 -10.336 7.079 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.706 -11.950 7.342 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.571 -9.620 6.779 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.966 -9.919 8.397 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.516 -10.885 9.608 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.608 -12.152 9.041 1.00 0.00 H new ATOM 556 N LEU A 36 4.862 -11.629 4.127 1.00 0.00 N ATOM 557 CA LEU A 36 3.943 -12.448 3.369 1.00 0.00 C ATOM 558 C LEU A 36 4.618 -12.706 2.008 1.00 0.00 C ATOM 559 O LEU A 36 5.138 -11.764 1.403 1.00 0.00 O ATOM 560 CB LEU A 36 2.603 -11.713 3.229 1.00 0.00 C ATOM 561 CG LEU A 36 1.927 -11.265 4.541 1.00 0.00 C ATOM 562 CD1 LEU A 36 0.558 -10.642 4.236 1.00 0.00 C ATOM 563 CD2 LEU A 36 1.755 -12.410 5.540 1.00 0.00 C ATOM 0 H LEU A 36 4.691 -10.628 4.033 1.00 0.00 H new ATOM 0 HA LEU A 36 3.726 -13.399 3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.760 -10.832 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.911 -12.363 2.693 1.00 0.00 H new ATOM 0 HG LEU A 36 2.585 -10.529 5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.086 -10.328 5.167 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.689 -9.777 3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.074 -11.378 3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.274 -12.035 6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.136 -13.190 5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.732 -12.822 5.793 1.00 0.00 H new ATOM 575 N PRO A 37 4.652 -13.949 1.496 1.00 0.00 N ATOM 576 CA PRO A 37 5.442 -14.304 0.317 1.00 0.00 C ATOM 577 C PRO A 37 4.718 -13.929 -0.991 1.00 0.00 C ATOM 578 O PRO A 37 4.386 -14.800 -1.801 1.00 0.00 O ATOM 579 CB PRO A 37 5.705 -15.807 0.476 1.00 0.00 C ATOM 580 CG PRO A 37 4.444 -16.306 1.183 1.00 0.00 C ATOM 581 CD PRO A 37 4.103 -15.147 2.119 1.00 0.00 C ATOM 0 HA PRO A 37 6.379 -13.752 0.249 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.847 -16.296 -0.488 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.601 -15.999 1.066 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.638 -16.508 0.478 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.626 -17.230 1.732 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.025 -15.058 2.252 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.534 -15.305 3.108 1.00 0.00 H new ATOM 589 N ILE A 38 4.458 -12.637 -1.215 1.00 0.00 N ATOM 590 CA ILE A 38 3.741 -12.133 -2.391 1.00 0.00 C ATOM 591 C ILE A 38 4.598 -12.455 -3.617 1.00 0.00 C ATOM 592 O ILE A 38 5.828 -12.445 -3.530 1.00 0.00 O ATOM 593 CB ILE A 38 3.541 -10.598 -2.265 1.00 0.00 C ATOM 594 CG1 ILE A 38 2.310 -10.262 -1.406 1.00 0.00 C ATOM 595 CG2 ILE A 38 3.260 -9.914 -3.613 1.00 0.00 C ATOM 596 CD1 ILE A 38 2.680 -10.232 0.069 1.00 0.00 C ATOM 0 H ILE A 38 4.745 -11.899 -0.572 1.00 0.00 H new ATOM 0 HA ILE A 38 2.758 -12.597 -2.478 1.00 0.00 H new ATOM 0 HB ILE A 38 4.474 -10.243 -1.829 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.904 -9.295 -1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.528 -11.002 -1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.130 -8.843 -3.457 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.098 -10.083 -4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.352 -10.330 -4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.797 -9.993 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.064 -11.208 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.445 -9.474 0.237 1.00 0.00 H new ATOM 608 N LYS A 39 3.960 -12.714 -4.765 1.00 0.00 N ATOM 609 CA LYS A 39 4.652 -13.059 -5.991 1.00 0.00 C ATOM 610 C LYS A 39 5.659 -11.961 -6.320 1.00 0.00 C ATOM 611 O LYS A 39 5.296 -10.783 -6.374 1.00 0.00 O ATOM 612 CB LYS A 39 3.711 -13.399 -7.161 1.00 0.00 C ATOM 613 CG LYS A 39 3.325 -14.896 -7.186 1.00 0.00 C ATOM 614 CD LYS A 39 3.338 -15.501 -8.580 1.00 0.00 C ATOM 615 CE LYS A 39 2.166 -14.933 -9.387 1.00 0.00 C ATOM 616 NZ LYS A 39 2.320 -15.197 -10.824 1.00 0.00 N ATOM 0 H LYS A 39 2.945 -12.687 -4.859 1.00 0.00 H new ATOM 0 HA LYS A 39 5.194 -13.990 -5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.807 -12.794 -7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.194 -13.135 -8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.015 -15.452 -6.551 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.330 -15.014 -6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.281 -15.276 -9.078 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.261 -16.587 -8.519 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.233 -15.373 -9.034 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.095 -13.858 -9.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.509 -14.799 -11.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.198 -14.756 -11.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.362 -16.223 -10.986 1.00 0.00 H new ATOM 630 N GLN A 40 6.926 -12.337 -6.479 1.00 0.00 N ATOM 631 CA GLN A 40 8.006 -11.387 -6.665 1.00 0.00 C ATOM 632 C GLN A 40 7.754 -10.619 -7.961 1.00 0.00 C ATOM 633 O GLN A 40 7.807 -11.202 -9.044 1.00 0.00 O ATOM 634 CB GLN A 40 9.344 -12.134 -6.690 1.00 0.00 C ATOM 635 CG GLN A 40 10.521 -11.154 -6.737 1.00 0.00 C ATOM 636 CD GLN A 40 11.819 -11.910 -6.953 1.00 0.00 C ATOM 637 OE1 GLN A 40 12.523 -12.230 -5.999 1.00 0.00 O ATOM 638 NE2 GLN A 40 12.165 -12.241 -8.184 1.00 0.00 N ATOM 0 H GLN A 40 7.227 -13.312 -6.482 1.00 0.00 H new ATOM 0 HA GLN A 40 8.047 -10.673 -5.843 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.428 -12.766 -5.806 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.380 -12.793 -7.558 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.373 -10.433 -7.541 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.571 -10.588 -5.807 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.574 -11.971 -8.970 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.023 -12.767 -8.349 1.00 0.00 H new ATOM 647 N GLY A 41 7.486 -9.321 -7.853 1.00 0.00 N ATOM 648 CA GLY A 41 7.129 -8.454 -8.963 1.00 0.00 C ATOM 649 C GLY A 41 5.762 -7.807 -8.758 1.00 0.00 C ATOM 650 O GLY A 41 5.438 -6.867 -9.485 1.00 0.00 O ATOM 0 H GLY A 41 7.513 -8.831 -6.959 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.886 -7.678 -9.076 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.123 -9.031 -9.888 1.00 0.00 H new ATOM 654 N LEU A 42 4.950 -8.263 -7.796 1.00 0.00 N ATOM 655 CA LEU A 42 3.679 -7.633 -7.495 1.00 0.00 C ATOM 656 C LEU A 42 3.839 -6.494 -6.485 1.00 0.00 C ATOM 657 O LEU A 42 3.124 -5.504 -6.603 1.00 0.00 O ATOM 658 CB LEU A 42 2.683 -8.636 -6.926 1.00 0.00 C ATOM 659 CG LEU A 42 2.355 -9.891 -7.749 1.00 0.00 C ATOM 660 CD1 LEU A 42 1.043 -10.462 -7.217 1.00 0.00 C ATOM 661 CD2 LEU A 42 2.202 -9.649 -9.245 1.00 0.00 C ATOM 0 H LEU A 42 5.162 -9.073 -7.214 1.00 0.00 H new ATOM 0 HA LEU A 42 3.305 -7.235 -8.438 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.060 -8.964 -5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.748 -8.107 -6.742 1.00 0.00 H new ATOM 0 HG LEU A 42 3.199 -10.572 -7.638 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.780 -11.357 -7.781 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.158 -10.718 -6.164 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.252 -9.719 -7.326 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.971 -10.590 -9.744 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.393 -8.939 -9.418 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.132 -9.244 -9.645 1.00 0.00 H new ATOM 673 N LEU A 43 4.691 -6.665 -5.463 1.00 0.00 N ATOM 674 CA LEU A 43 4.765 -5.789 -4.287 1.00 0.00 C ATOM 675 C LEU A 43 5.726 -4.633 -4.572 1.00 0.00 C ATOM 676 O LEU A 43 6.918 -4.891 -4.766 1.00 0.00 O ATOM 677 CB LEU A 43 5.202 -6.582 -3.030 1.00 0.00 C ATOM 678 CG LEU A 43 4.623 -6.138 -1.660 1.00 0.00 C ATOM 679 CD1 LEU A 43 4.212 -4.674 -1.558 1.00 0.00 C ATOM 680 CD2 LEU A 43 3.432 -6.995 -1.236 1.00 0.00 C ATOM 0 H LEU A 43 5.362 -7.433 -5.432 1.00 0.00 H new ATOM 0 HA LEU A 43 3.774 -5.382 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.936 -7.628 -3.184 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.289 -6.536 -2.966 1.00 0.00 H new ATOM 0 HG LEU A 43 5.469 -6.280 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.822 -4.474 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.079 -4.039 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.441 -4.460 -2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.059 -6.649 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.641 -6.913 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.744 -8.036 -1.151 1.00 0.00 H new ATOM 692 N GLU A 44 5.260 -3.383 -4.603 1.00 0.00 N ATOM 693 CA GLU A 44 6.078 -2.233 -4.979 1.00 0.00 C ATOM 694 C GLU A 44 5.778 -1.074 -4.028 1.00 0.00 C ATOM 695 O GLU A 44 4.664 -0.554 -4.013 1.00 0.00 O ATOM 696 CB GLU A 44 5.827 -1.895 -6.452 1.00 0.00 C ATOM 697 CG GLU A 44 6.920 -0.941 -6.937 1.00 0.00 C ATOM 698 CD GLU A 44 6.788 -0.578 -8.413 1.00 0.00 C ATOM 699 OE1 GLU A 44 6.382 -1.431 -9.233 1.00 0.00 O ATOM 700 OE2 GLU A 44 7.127 0.570 -8.787 1.00 0.00 O ATOM 0 H GLU A 44 4.298 -3.141 -4.366 1.00 0.00 H new ATOM 0 HA GLU A 44 7.141 -2.454 -4.884 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.828 -2.805 -7.052 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.846 -1.435 -6.571 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.888 -0.029 -6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.895 -1.399 -6.768 1.00 0.00 H new ATOM 707 N PHE A 45 6.708 -0.754 -3.124 1.00 0.00 N ATOM 708 CA PHE A 45 6.537 0.243 -2.064 1.00 0.00 C ATOM 709 C PHE A 45 6.892 1.613 -2.637 1.00 0.00 C ATOM 710 O PHE A 45 8.067 1.874 -2.914 1.00 0.00 O ATOM 711 CB PHE A 45 7.400 -0.141 -0.852 1.00 0.00 C ATOM 712 CG PHE A 45 7.100 -1.521 -0.285 1.00 0.00 C ATOM 713 CD1 PHE A 45 6.020 -1.701 0.600 1.00 0.00 C ATOM 714 CD2 PHE A 45 7.903 -2.627 -0.630 1.00 0.00 C ATOM 715 CE1 PHE A 45 5.735 -2.973 1.126 1.00 0.00 C ATOM 716 CE2 PHE A 45 7.626 -3.898 -0.094 1.00 0.00 C ATOM 717 CZ PHE A 45 6.542 -4.072 0.785 1.00 0.00 C ATOM 0 H PHE A 45 7.628 -1.195 -3.109 1.00 0.00 H new ATOM 0 HA PHE A 45 5.506 0.280 -1.713 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.450 -0.099 -1.140 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.255 0.601 -0.067 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.406 -0.856 0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.734 -2.498 -1.308 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.896 -3.106 1.792 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.247 -4.741 -0.358 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.330 -5.048 1.197 1.00 0.00 H new ATOM 727 N VAL A 46 5.887 2.442 -2.910 1.00 0.00 N ATOM 728 CA VAL A 46 6.039 3.677 -3.659 1.00 0.00 C ATOM 729 C VAL A 46 6.267 4.804 -2.665 1.00 0.00 C ATOM 730 O VAL A 46 5.339 5.207 -1.962 1.00 0.00 O ATOM 731 CB VAL A 46 4.796 3.927 -4.534 1.00 0.00 C ATOM 732 CG1 VAL A 46 4.879 5.279 -5.261 1.00 0.00 C ATOM 733 CG2 VAL A 46 4.642 2.826 -5.590 1.00 0.00 C ATOM 0 H VAL A 46 4.928 2.267 -2.609 1.00 0.00 H new ATOM 0 HA VAL A 46 6.893 3.617 -4.334 1.00 0.00 H new ATOM 0 HB VAL A 46 3.937 3.928 -3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.985 5.421 -5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.951 6.082 -4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.760 5.294 -5.903 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.758 3.024 -6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.524 2.810 -6.230 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.535 1.860 -5.096 1.00 0.00 H new ATOM 743 N ASP A 47 7.479 5.354 -2.656 1.00 0.00 N ATOM 744 CA ASP A 47 7.720 6.657 -2.051 1.00 0.00 C ATOM 745 C ASP A 47 6.961 7.768 -2.761 1.00 0.00 C ATOM 746 O ASP A 47 7.081 7.917 -3.982 1.00 0.00 O ATOM 747 CB ASP A 47 9.209 7.012 -2.019 1.00 0.00 C ATOM 748 CG ASP A 47 9.445 8.215 -1.109 1.00 0.00 C ATOM 749 OD1 ASP A 47 8.570 8.587 -0.307 1.00 0.00 O ATOM 750 OD2 ASP A 47 10.436 8.936 -1.312 1.00 0.00 O ATOM 0 H ASP A 47 8.307 4.917 -3.061 1.00 0.00 H new ATOM 0 HA ASP A 47 7.354 6.577 -1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.786 6.159 -1.663 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.559 7.235 -3.027 1.00 0.00 H new ATOM 755 N ILE A 48 6.215 8.556 -1.992 1.00 0.00 N ATOM 756 CA ILE A 48 5.551 9.768 -2.451 1.00 0.00 C ATOM 757 C ILE A 48 6.412 11.024 -2.225 1.00 0.00 C ATOM 758 O ILE A 48 5.972 12.115 -2.587 1.00 0.00 O ATOM 759 CB ILE A 48 4.133 9.876 -1.841 1.00 0.00 C ATOM 760 CG1 ILE A 48 4.060 9.963 -0.302 1.00 0.00 C ATOM 761 CG2 ILE A 48 3.295 8.669 -2.317 1.00 0.00 C ATOM 762 CD1 ILE A 48 2.700 10.469 0.202 1.00 0.00 C ATOM 0 H ILE A 48 6.052 8.362 -1.004 1.00 0.00 H new ATOM 0 HA ILE A 48 5.426 9.701 -3.532 1.00 0.00 H new ATOM 0 HB ILE A 48 3.741 10.830 -2.195 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.256 8.978 0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.846 10.628 0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.292 8.733 -1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.231 8.677 -3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.769 7.744 -1.988 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.708 10.509 1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.512 11.466 -0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.914 9.791 -0.130 1.00 0.00 H new ATOM 774 N THR A 49 7.604 10.916 -1.621 1.00 0.00 N ATOM 775 CA THR A 49 8.487 12.061 -1.383 1.00 0.00 C ATOM 776 C THR A 49 9.498 12.237 -2.529 1.00 0.00 C ATOM 777 O THR A 49 9.742 13.369 -2.957 1.00 0.00 O ATOM 778 CB THR A 49 9.134 12.006 0.022 1.00 0.00 C ATOM 779 OG1 THR A 49 10.262 11.161 0.140 1.00 0.00 O ATOM 780 CG2 THR A 49 8.169 11.603 1.137 1.00 0.00 C ATOM 0 H THR A 49 7.981 10.030 -1.284 1.00 0.00 H new ATOM 0 HA THR A 49 7.879 12.965 -1.383 1.00 0.00 H new ATOM 0 HB THR A 49 9.450 13.042 0.141 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.309 10.567 -0.638 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.699 11.588 2.089 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.351 12.322 1.188 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.767 10.611 0.930 1.00 0.00 H new ATOM 826 N HIS A 53 4.141 15.202 -5.209 1.00 0.00 N ATOM 827 CA HIS A 53 3.786 16.144 -4.175 1.00 0.00 C ATOM 828 C HIS A 53 3.178 15.315 -3.058 1.00 0.00 C ATOM 829 O HIS A 53 1.959 15.217 -2.983 1.00 0.00 O ATOM 830 CB HIS A 53 2.746 17.099 -4.788 1.00 0.00 C ATOM 831 CG HIS A 53 3.320 18.076 -5.775 1.00 0.00 C ATOM 832 ND1 HIS A 53 3.999 19.239 -5.510 1.00 0.00 N ATOM 833 CD2 HIS A 53 3.208 17.959 -7.130 1.00 0.00 C ATOM 834 CE1 HIS A 53 4.283 19.819 -6.687 1.00 0.00 C ATOM 835 NE2 HIS A 53 3.817 19.078 -7.711 1.00 0.00 N ATOM 0 HA HIS A 53 4.624 16.728 -3.793 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.974 16.510 -5.283 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.259 17.653 -3.985 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.733 17.147 -7.661 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.813 20.753 -6.798 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.892 19.289 -8.706 1.00 0.00 H new ATOM 843 N THR A 54 4.010 14.691 -2.225 1.00 0.00 N ATOM 844 CA THR A 54 3.608 13.787 -1.133 1.00 0.00 C ATOM 845 C THR A 54 2.348 14.302 -0.456 1.00 0.00 C ATOM 846 O THR A 54 1.335 13.614 -0.458 1.00 0.00 O ATOM 847 CB THR A 54 4.705 13.502 -0.081 1.00 0.00 C ATOM 848 OG1 THR A 54 4.221 13.306 1.243 1.00 0.00 O ATOM 849 CG2 THR A 54 5.712 14.623 0.019 1.00 0.00 C ATOM 0 H THR A 54 5.022 14.801 -2.289 1.00 0.00 H new ATOM 0 HA THR A 54 3.416 12.828 -1.613 1.00 0.00 H new ATOM 0 HB THR A 54 5.153 12.579 -0.451 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.994 14.173 1.640 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.460 14.374 0.771 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.199 14.761 -0.946 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.204 15.544 0.304 1.00 0.00 H new ATOM 857 N ASN A 55 2.435 15.479 0.164 1.00 0.00 N ATOM 858 CA ASN A 55 1.351 16.067 0.945 1.00 0.00 C ATOM 859 C ASN A 55 0.046 16.091 0.141 1.00 0.00 C ATOM 860 O ASN A 55 -1.006 15.758 0.671 1.00 0.00 O ATOM 861 CB ASN A 55 1.734 17.471 1.434 1.00 0.00 C ATOM 862 CG ASN A 55 0.997 17.897 2.704 1.00 0.00 C ATOM 863 OD1 ASN A 55 1.579 18.596 3.527 1.00 0.00 O ATOM 864 ND2 ASN A 55 -0.253 17.523 2.914 1.00 0.00 N ATOM 0 H ASN A 55 3.274 16.058 0.136 1.00 0.00 H new ATOM 0 HA ASN A 55 1.184 15.442 1.823 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.808 17.502 1.619 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.526 18.192 0.643 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.737 17.816 3.763 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.734 16.942 2.227 1.00 0.00 H new ATOM 871 N GLU A 56 0.113 16.414 -1.149 1.00 0.00 N ATOM 872 CA GLU A 56 -0.993 16.465 -2.087 1.00 0.00 C ATOM 873 C GLU A 56 -1.365 15.106 -2.707 1.00 0.00 C ATOM 874 O GLU A 56 -2.395 14.984 -3.367 1.00 0.00 O ATOM 875 CB GLU A 56 -0.533 17.451 -3.168 1.00 0.00 C ATOM 876 CG GLU A 56 -1.563 18.534 -3.431 1.00 0.00 C ATOM 877 CD GLU A 56 -2.518 18.128 -4.550 1.00 0.00 C ATOM 878 OE1 GLU A 56 -2.076 18.101 -5.725 1.00 0.00 O ATOM 879 OE2 GLU A 56 -3.695 17.795 -4.281 1.00 0.00 O ATOM 0 H GLU A 56 0.999 16.662 -1.589 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.905 16.771 -1.574 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.406 17.912 -2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.335 16.908 -4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.129 18.730 -2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.058 19.462 -3.699 1.00 0.00 H new ATOM 886 N ILE A 57 -0.537 14.078 -2.545 1.00 0.00 N ATOM 887 CA ILE A 57 -0.824 12.697 -2.913 1.00 0.00 C ATOM 888 C ILE A 57 -1.579 12.054 -1.758 1.00 0.00 C ATOM 889 O ILE A 57 -2.562 11.361 -1.978 1.00 0.00 O ATOM 890 CB ILE A 57 0.489 11.936 -3.221 1.00 0.00 C ATOM 891 CG1 ILE A 57 0.892 12.210 -4.676 1.00 0.00 C ATOM 892 CG2 ILE A 57 0.338 10.419 -2.998 1.00 0.00 C ATOM 893 CD1 ILE A 57 2.357 11.862 -4.940 1.00 0.00 C ATOM 0 H ILE A 57 0.391 14.190 -2.137 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.434 12.660 -3.816 1.00 0.00 H new ATOM 0 HB ILE A 57 1.261 12.291 -2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.256 11.630 -5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.722 13.261 -4.907 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.281 9.922 -3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.069 10.229 -1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.443 10.031 -3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.599 12.072 -5.982 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.996 12.462 -4.292 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.522 10.804 -4.735 1.00 0.00 H new ATOM 905 N GLN A 58 -1.102 12.222 -0.532 1.00 0.00 N ATOM 906 CA GLN A 58 -1.668 11.560 0.626 1.00 0.00 C ATOM 907 C GLN A 58 -3.023 12.145 0.971 1.00 0.00 C ATOM 908 O GLN A 58 -3.987 11.429 1.212 1.00 0.00 O ATOM 909 CB GLN A 58 -0.656 11.595 1.761 1.00 0.00 C ATOM 910 CG GLN A 58 -0.003 12.915 2.204 1.00 0.00 C ATOM 911 CD GLN A 58 -0.181 13.352 3.663 1.00 0.00 C ATOM 912 OE1 GLN A 58 0.331 14.397 4.046 1.00 0.00 O ATOM 913 NE2 GLN A 58 -0.822 12.588 4.536 1.00 0.00 N ATOM 0 H GLN A 58 -0.308 12.825 -0.316 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.865 10.509 0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.146 11.172 2.638 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.152 10.916 1.489 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.066 12.842 2.005 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.392 13.710 1.568 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.253 11.715 4.230 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.885 12.873 5.513 1.00 0.00 H new ATOM 922 N ASP A 59 -3.120 13.456 0.878 1.00 0.00 N ATOM 923 CA ASP A 59 -4.401 14.153 0.882 1.00 0.00 C ATOM 924 C ASP A 59 -5.319 13.674 -0.256 1.00 0.00 C ATOM 925 O ASP A 59 -6.526 13.541 -0.057 1.00 0.00 O ATOM 926 CB ASP A 59 -4.187 15.662 0.790 1.00 0.00 C ATOM 927 CG ASP A 59 -3.967 16.326 2.148 1.00 0.00 C ATOM 928 OD1 ASP A 59 -4.687 16.006 3.120 1.00 0.00 O ATOM 929 OD2 ASP A 59 -3.104 17.225 2.252 1.00 0.00 O ATOM 0 H ASP A 59 -2.313 14.075 0.797 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.896 13.919 1.824 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.326 15.861 0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.053 16.116 0.308 1.00 0.00 H new ATOM 934 N TYR A 60 -4.793 13.362 -1.444 1.00 0.00 N ATOM 935 CA TYR A 60 -5.560 12.682 -2.490 1.00 0.00 C ATOM 936 C TYR A 60 -5.946 11.249 -2.104 1.00 0.00 C ATOM 937 O TYR A 60 -7.050 10.820 -2.432 1.00 0.00 O ATOM 938 CB TYR A 60 -4.826 12.764 -3.834 1.00 0.00 C ATOM 939 CG TYR A 60 -5.470 11.952 -4.936 1.00 0.00 C ATOM 940 CD1 TYR A 60 -6.801 12.191 -5.328 1.00 0.00 C ATOM 941 CD2 TYR A 60 -4.755 10.876 -5.493 1.00 0.00 C ATOM 942 CE1 TYR A 60 -7.417 11.360 -6.279 1.00 0.00 C ATOM 943 CE2 TYR A 60 -5.363 10.043 -6.444 1.00 0.00 C ATOM 944 CZ TYR A 60 -6.696 10.284 -6.838 1.00 0.00 C ATOM 945 OH TYR A 60 -7.280 9.480 -7.759 1.00 0.00 O ATOM 0 H TYR A 60 -3.830 13.572 -1.706 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.508 13.208 -2.603 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.777 13.807 -4.146 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.800 12.423 -3.697 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.350 13.015 -4.897 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.736 10.691 -5.188 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.438 11.544 -6.581 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.812 9.219 -6.873 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.629 8.820 -8.076 1.00 0.00 H new ATOM 955 N LEU A 61 -5.125 10.512 -1.352 1.00 0.00 N ATOM 956 CA LEU A 61 -5.527 9.222 -0.794 1.00 0.00 C ATOM 957 C LEU A 61 -6.675 9.412 0.196 1.00 0.00 C ATOM 958 O LEU A 61 -7.526 8.529 0.277 1.00 0.00 O ATOM 959 CB LEU A 61 -4.359 8.463 -0.133 1.00 0.00 C ATOM 960 CG LEU A 61 -3.261 8.004 -1.105 1.00 0.00 C ATOM 961 CD1 LEU A 61 -2.033 7.510 -0.334 1.00 0.00 C ATOM 962 CD2 LEU A 61 -3.774 6.875 -1.997 1.00 0.00 C ATOM 0 H LEU A 61 -4.173 10.790 -1.115 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.864 8.605 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.909 9.104 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.757 7.589 0.383 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.983 8.858 -1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.266 7.189 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.642 8.318 0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.316 6.671 0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.983 6.562 -2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.074 6.030 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.631 7.226 -2.572 1.00 0.00 H new ATOM 974 N GLN A 62 -6.789 10.549 0.887 1.00 0.00 N ATOM 975 CA GLN A 62 -7.985 10.828 1.676 1.00 0.00 C ATOM 976 C GLN A 62 -9.229 10.819 0.791 1.00 0.00 C ATOM 977 O GLN A 62 -10.281 10.346 1.209 1.00 0.00 O ATOM 978 CB GLN A 62 -7.888 12.173 2.396 1.00 0.00 C ATOM 979 CG GLN A 62 -8.840 12.212 3.599 1.00 0.00 C ATOM 980 CD GLN A 62 -9.144 13.642 4.005 1.00 0.00 C ATOM 981 OE1 GLN A 62 -8.544 14.176 4.935 1.00 0.00 O ATOM 982 NE2 GLN A 62 -10.044 14.297 3.296 1.00 0.00 N ATOM 0 H GLN A 62 -6.078 11.280 0.915 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.063 10.040 2.425 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.864 12.340 2.730 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.133 12.980 1.705 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.767 11.696 3.351 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.393 11.679 4.438 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.528 13.830 2.529 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.256 15.270 3.515 1.00 0.00 H new ATOM 991 N GLN A 63 -9.119 11.343 -0.425 1.00 0.00 N ATOM 992 CA GLN A 63 -10.215 11.408 -1.366 1.00 0.00 C ATOM 993 C GLN A 63 -10.484 10.001 -1.932 1.00 0.00 C ATOM 994 O GLN A 63 -11.608 9.505 -1.862 1.00 0.00 O ATOM 995 CB GLN A 63 -9.859 12.458 -2.444 1.00 0.00 C ATOM 996 CG GLN A 63 -10.764 13.704 -2.428 1.00 0.00 C ATOM 997 CD GLN A 63 -12.237 13.451 -2.757 1.00 0.00 C ATOM 998 OE1 GLN A 63 -12.867 12.529 -2.248 1.00 0.00 O ATOM 999 NE2 GLN A 63 -12.849 14.278 -3.584 1.00 0.00 N ATOM 0 H GLN A 63 -8.250 11.739 -0.783 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.144 11.727 -0.893 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.824 12.771 -2.304 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.920 11.990 -3.427 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -10.704 14.163 -1.441 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -10.369 14.428 -3.141 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -12.333 15.047 -4.011 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -13.838 14.148 -3.796 1.00 0.00 H new ATOM 1008 N LEU A 64 -9.473 9.345 -2.512 1.00 0.00 N ATOM 1009 CA LEU A 64 -9.613 8.090 -3.264 1.00 0.00 C ATOM 1010 C LEU A 64 -9.805 6.869 -2.340 1.00 0.00 C ATOM 1011 O LEU A 64 -10.377 5.862 -2.765 1.00 0.00 O ATOM 1012 CB LEU A 64 -8.387 7.952 -4.196 1.00 0.00 C ATOM 1013 CG LEU A 64 -8.009 6.532 -4.672 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -9.016 6.005 -5.698 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -6.626 6.562 -5.324 1.00 0.00 C ATOM 0 H LEU A 64 -8.510 9.679 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.520 8.122 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.565 8.566 -5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.524 8.375 -3.682 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.011 5.875 -3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.723 5.004 -6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.008 5.968 -5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.035 6.668 -6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.360 5.560 -5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.641 7.239 -6.178 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.890 6.909 -4.599 1.00 0.00 H new ATOM 1027 N THR A 65 -9.330 6.911 -1.091 1.00 0.00 N ATOM 1028 CA THR A 65 -9.324 5.752 -0.187 1.00 0.00 C ATOM 1029 C THR A 65 -10.076 6.038 1.117 1.00 0.00 C ATOM 1030 O THR A 65 -10.762 5.148 1.629 1.00 0.00 O ATOM 1031 CB THR A 65 -7.891 5.231 0.052 1.00 0.00 C ATOM 1032 OG1 THR A 65 -7.131 6.047 0.915 1.00 0.00 O ATOM 1033 CG2 THR A 65 -7.083 5.066 -1.234 1.00 0.00 C ATOM 0 H THR A 65 -8.936 7.755 -0.674 1.00 0.00 H new ATOM 0 HA THR A 65 -9.871 4.948 -0.680 1.00 0.00 H new ATOM 0 HB THR A 65 -8.059 4.258 0.515 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.401 6.982 0.803 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.086 4.697 -0.993 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.584 4.354 -1.890 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.001 6.029 -1.738 1.00 0.00 H new ATOM 1041 N GLY A 66 -9.981 7.262 1.648 1.00 0.00 N ATOM 1042 CA GLY A 66 -10.821 7.750 2.732 1.00 0.00 C ATOM 1043 C GLY A 66 -10.050 8.403 3.876 1.00 0.00 C ATOM 1044 O GLY A 66 -10.660 9.142 4.644 1.00 0.00 O ATOM 0 H GLY A 66 -9.302 7.951 1.325 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.532 8.472 2.329 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.402 6.918 3.129 1.00 0.00 H new ATOM 1048 N ALA A 67 -8.736 8.182 4.007 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.915 8.843 5.021 1.00 0.00 C ATOM 1050 C ALA A 67 -6.547 9.187 4.448 1.00 0.00 C ATOM 1051 O ALA A 67 -6.027 8.435 3.617 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.748 7.934 6.232 1.00 0.00 C ATOM 0 H ALA A 67 -8.215 7.539 3.411 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.414 9.762 5.328 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.135 8.435 6.981 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.727 7.708 6.655 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.262 7.007 5.927 1.00 0.00 H new ATOM 1058 N ARG A 68 -5.936 10.281 4.913 1.00 0.00 N ATOM 1059 CA ARG A 68 -4.659 10.748 4.359 1.00 0.00 C ATOM 1060 C ARG A 68 -3.455 9.976 4.890 1.00 0.00 C ATOM 1061 O ARG A 68 -2.348 10.174 4.393 1.00 0.00 O ATOM 1062 CB ARG A 68 -4.467 12.270 4.550 1.00 0.00 C ATOM 1063 CG ARG A 68 -3.866 12.689 5.904 1.00 0.00 C ATOM 1064 CD ARG A 68 -3.571 14.196 5.964 1.00 0.00 C ATOM 1065 NE ARG A 68 -4.471 14.872 6.906 1.00 0.00 N ATOM 1066 CZ ARG A 68 -5.716 15.267 6.638 1.00 0.00 C ATOM 1067 NH1 ARG A 68 -6.129 15.404 5.387 1.00 0.00 N ATOM 1068 NH2 ARG A 68 -6.557 15.491 7.638 1.00 0.00 N ATOM 0 H ARG A 68 -6.303 10.859 5.669 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.714 10.546 3.289 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.822 12.642 3.754 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.434 12.760 4.432 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.556 12.423 6.704 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.945 12.133 6.079 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.536 14.356 6.266 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.684 14.632 4.971 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.114 15.055 7.844 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.492 15.207 4.615 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.084 15.707 5.195 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.250 15.361 8.602 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.512 15.793 7.444 1.00 0.00 H new ATOM 1082 N THR A 69 -3.628 9.170 5.932 1.00 0.00 N ATOM 1083 CA THR A 69 -2.548 8.454 6.590 1.00 0.00 C ATOM 1084 C THR A 69 -1.756 7.615 5.580 1.00 0.00 C ATOM 1085 O THR A 69 -2.314 7.023 4.653 1.00 0.00 O ATOM 1086 CB THR A 69 -3.139 7.603 7.737 1.00 0.00 C ATOM 1087 OG1 THR A 69 -4.499 7.255 7.502 1.00 0.00 O ATOM 1088 CG2 THR A 69 -3.127 8.382 9.054 1.00 0.00 C ATOM 0 H THR A 69 -4.542 8.995 6.349 1.00 0.00 H new ATOM 0 HA THR A 69 -1.838 9.160 7.021 1.00 0.00 H new ATOM 0 HB THR A 69 -2.519 6.708 7.788 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.833 6.716 8.250 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.548 7.763 9.847 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.102 8.650 9.309 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.723 9.288 8.946 1.00 0.00 H new ATOM 1096 N VAL A 70 -0.449 7.551 5.787 1.00 0.00 N ATOM 1097 CA VAL A 70 0.462 6.599 5.182 1.00 0.00 C ATOM 1098 C VAL A 70 0.958 5.687 6.314 1.00 0.00 C ATOM 1099 O VAL A 70 1.048 6.154 7.456 1.00 0.00 O ATOM 1100 CB VAL A 70 1.628 7.336 4.501 1.00 0.00 C ATOM 1101 CG1 VAL A 70 1.215 7.769 3.088 1.00 0.00 C ATOM 1102 CG2 VAL A 70 2.113 8.540 5.333 1.00 0.00 C ATOM 0 H VAL A 70 0.027 8.198 6.416 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.030 6.010 4.408 1.00 0.00 H new ATOM 0 HB VAL A 70 2.469 6.647 4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.044 8.290 2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.952 6.889 2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.354 8.435 3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.937 9.032 4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.293 9.246 5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.452 8.194 6.309 1.00 0.00 H new ATOM 1112 N PRO A 71 1.324 4.425 6.050 1.00 0.00 N ATOM 1113 CA PRO A 71 1.226 3.730 4.768 1.00 0.00 C ATOM 1114 C PRO A 71 -0.233 3.588 4.321 1.00 0.00 C ATOM 1115 O PRO A 71 -1.149 3.809 5.113 1.00 0.00 O ATOM 1116 CB PRO A 71 1.858 2.356 5.026 1.00 0.00 C ATOM 1117 CG PRO A 71 1.591 2.126 6.513 1.00 0.00 C ATOM 1118 CD PRO A 71 1.753 3.518 7.094 1.00 0.00 C ATOM 0 HA PRO A 71 1.728 4.274 3.968 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.403 1.581 4.410 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.925 2.355 4.803 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.592 1.726 6.689 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.298 1.420 6.948 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.149 3.641 7.993 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.788 3.707 7.377 1.00 0.00 H new ATOM 1126 N ARG A 72 -0.457 3.248 3.051 1.00 0.00 N ATOM 1127 CA ARG A 72 -1.792 3.021 2.507 1.00 0.00 C ATOM 1128 C ARG A 72 -1.715 1.868 1.523 1.00 0.00 C ATOM 1129 O ARG A 72 -1.098 2.033 0.471 1.00 0.00 O ATOM 1130 CB ARG A 72 -2.310 4.307 1.839 1.00 0.00 C ATOM 1131 CG ARG A 72 -3.790 4.167 1.460 1.00 0.00 C ATOM 1132 CD ARG A 72 -4.688 4.407 2.675 1.00 0.00 C ATOM 1133 NE ARG A 72 -6.004 3.764 2.566 1.00 0.00 N ATOM 1134 CZ ARG A 72 -6.958 3.808 3.503 1.00 0.00 C ATOM 1135 NH1 ARG A 72 -6.737 4.379 4.681 1.00 0.00 N ATOM 1136 NH2 ARG A 72 -8.149 3.272 3.282 1.00 0.00 N ATOM 0 H ARG A 72 0.290 3.122 2.368 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.494 2.762 3.299 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.182 5.151 2.517 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.721 4.522 0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.037 4.880 0.673 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.974 3.171 1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.184 4.037 3.568 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.826 5.480 2.809 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.206 3.245 1.712 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.828 4.794 4.884 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.477 4.403 5.383 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.347 2.819 2.390 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.868 3.312 4.004 1.00 0.00 H new ATOM 1150 N VAL A 73 -2.274 0.711 1.872 1.00 0.00 N ATOM 1151 CA VAL A 73 -2.137 -0.506 1.081 1.00 0.00 C ATOM 1152 C VAL A 73 -3.239 -0.577 0.033 1.00 0.00 C ATOM 1153 O VAL A 73 -4.425 -0.555 0.370 1.00 0.00 O ATOM 1154 CB VAL A 73 -2.165 -1.745 1.996 1.00 0.00 C ATOM 1155 CG1 VAL A 73 -2.115 -3.051 1.181 1.00 0.00 C ATOM 1156 CG2 VAL A 73 -1.004 -1.691 2.996 1.00 0.00 C ATOM 0 H VAL A 73 -2.836 0.593 2.715 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.176 -0.487 0.566 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.107 -1.735 2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.136 -3.904 1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.975 -3.096 0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.198 -3.078 0.593 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.035 -2.572 3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.058 -1.669 2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.093 -0.794 3.608 1.00 0.00 H new ATOM 1166 N PHE A 74 -2.843 -0.762 -1.224 1.00 0.00 N ATOM 1167 CA PHE A 74 -3.692 -1.257 -2.285 1.00 0.00 C ATOM 1168 C PHE A 74 -3.299 -2.703 -2.554 1.00 0.00 C ATOM 1169 O PHE A 74 -2.117 -2.997 -2.744 1.00 0.00 O ATOM 1170 CB PHE A 74 -3.554 -0.417 -3.561 1.00 0.00 C ATOM 1171 CG PHE A 74 -4.076 1.004 -3.462 1.00 0.00 C ATOM 1172 CD1 PHE A 74 -3.360 1.973 -2.732 1.00 0.00 C ATOM 1173 CD2 PHE A 74 -5.259 1.372 -4.132 1.00 0.00 C ATOM 1174 CE1 PHE A 74 -3.820 3.299 -2.681 1.00 0.00 C ATOM 1175 CE2 PHE A 74 -5.704 2.705 -4.096 1.00 0.00 C ATOM 1176 CZ PHE A 74 -4.978 3.670 -3.381 1.00 0.00 C ATOM 0 H PHE A 74 -1.892 -0.563 -1.534 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.736 -1.190 -1.978 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.501 -0.381 -3.840 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.081 -0.925 -4.369 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.456 1.696 -2.211 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.825 0.629 -4.674 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.281 4.034 -2.102 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.606 2.987 -4.619 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.310 4.698 -3.370 1.00 0.00 H new ATOM 1186 N ILE A 75 -4.285 -3.596 -2.598 1.00 0.00 N ATOM 1187 CA ILE A 75 -4.141 -4.964 -3.068 1.00 0.00 C ATOM 1188 C ILE A 75 -5.096 -5.042 -4.267 1.00 0.00 C ATOM 1189 O ILE A 75 -6.314 -4.930 -4.117 1.00 0.00 O ATOM 1190 CB ILE A 75 -4.360 -5.999 -1.919 1.00 0.00 C ATOM 1191 CG1 ILE A 75 -3.043 -6.593 -1.362 1.00 0.00 C ATOM 1192 CG2 ILE A 75 -5.162 -7.229 -2.391 1.00 0.00 C ATOM 1193 CD1 ILE A 75 -2.280 -5.831 -0.299 1.00 0.00 C ATOM 0 H ILE A 75 -5.235 -3.376 -2.297 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.135 -5.230 -3.392 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.885 -5.421 -1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.273 -7.579 -0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.369 -6.744 -2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.290 -7.921 -1.559 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.140 -6.909 -2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.624 -7.727 -3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.385 -6.389 -0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.993 -4.854 -0.687 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.912 -5.701 0.580 1.00 0.00 H new ATOM 1205 N GLY A 76 -4.529 -5.178 -5.467 1.00 0.00 N ATOM 1206 CA GLY A 76 -5.248 -5.385 -6.714 1.00 0.00 C ATOM 1207 C GLY A 76 -6.308 -4.324 -6.979 1.00 0.00 C ATOM 1208 O GLY A 76 -7.497 -4.627 -6.953 1.00 0.00 O ATOM 0 H GLY A 76 -3.518 -5.145 -5.596 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.536 -5.392 -7.539 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.722 -6.366 -6.694 1.00 0.00 H new ATOM 1212 N LYS A 77 -5.863 -3.118 -7.342 1.00 0.00 N ATOM 1213 CA LYS A 77 -6.578 -1.859 -7.539 1.00 0.00 C ATOM 1214 C LYS A 77 -7.583 -1.426 -6.470 1.00 0.00 C ATOM 1215 O LYS A 77 -7.958 -0.252 -6.483 1.00 0.00 O ATOM 1216 CB LYS A 77 -7.217 -1.859 -8.941 1.00 0.00 C ATOM 1217 CG LYS A 77 -6.763 -0.635 -9.740 1.00 0.00 C ATOM 1218 CD LYS A 77 -7.657 -0.446 -10.969 1.00 0.00 C ATOM 1219 CE LYS A 77 -7.298 0.829 -11.732 1.00 0.00 C ATOM 1220 NZ LYS A 77 -8.121 0.966 -12.948 1.00 0.00 N ATOM 0 H LYS A 77 -4.868 -2.989 -7.527 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.808 -1.094 -7.438 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.941 -2.770 -9.472 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.303 -1.859 -8.851 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.803 0.255 -9.111 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.726 -0.759 -10.051 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.556 -1.307 -11.630 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.701 -0.403 -10.658 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.446 1.696 -11.089 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.242 0.810 -12.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.858 1.839 -13.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.960 0.148 -13.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.126 1.007 -12.684 1.00 0.00 H new ATOM 1234 N ASP A 78 -7.919 -2.264 -5.501 1.00 0.00 N ATOM 1235 CA ASP A 78 -8.700 -1.853 -4.337 1.00 0.00 C ATOM 1236 C ASP A 78 -7.743 -1.430 -3.224 1.00 0.00 C ATOM 1237 O ASP A 78 -6.556 -1.764 -3.270 1.00 0.00 O ATOM 1238 CB ASP A 78 -9.625 -2.987 -3.879 1.00 0.00 C ATOM 1239 CG ASP A 78 -10.828 -2.489 -3.072 1.00 0.00 C ATOM 1240 OD1 ASP A 78 -10.929 -1.282 -2.767 1.00 0.00 O ATOM 1241 OD2 ASP A 78 -11.729 -3.323 -2.809 1.00 0.00 O ATOM 0 H ASP A 78 -7.659 -3.250 -5.497 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.335 -1.007 -4.599 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.981 -3.533 -4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.055 -3.691 -3.273 1.00 0.00 H new ATOM 1246 N CYS A 79 -8.238 -0.720 -2.211 1.00 0.00 N ATOM 1247 CA CYS A 79 -7.475 -0.180 -1.097 1.00 0.00 C ATOM 1248 C CYS A 79 -8.089 -0.668 0.207 1.00 0.00 C ATOM 1249 O CYS A 79 -9.301 -0.555 0.385 1.00 0.00 O ATOM 1250 CB CYS A 79 -7.446 1.347 -1.182 1.00 0.00 C ATOM 1251 SG CYS A 79 -6.174 1.958 -0.054 1.00 0.00 S ATOM 0 H CYS A 79 -9.231 -0.497 -2.146 1.00 0.00 H new ATOM 0 HA CYS A 79 -6.443 -0.528 -1.137 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.233 1.666 -2.202 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.419 1.760 -0.916 1.00 0.00 H new ATOM 0 HG CYS A 79 -5.345 0.997 0.227 1.00 0.00 H new ATOM 1257 N ILE A 80 -7.267 -1.227 1.101 1.00 0.00 N ATOM 1258 CA ILE A 80 -7.754 -2.043 2.196 1.00 0.00 C ATOM 1259 C ILE A 80 -7.671 -1.324 3.542 1.00 0.00 C ATOM 1260 O ILE A 80 -8.332 -1.739 4.493 1.00 0.00 O ATOM 1261 CB ILE A 80 -7.061 -3.421 2.134 1.00 0.00 C ATOM 1262 CG1 ILE A 80 -5.576 -3.473 2.545 1.00 0.00 C ATOM 1263 CG2 ILE A 80 -7.174 -4.018 0.715 1.00 0.00 C ATOM 1264 CD1 ILE A 80 -5.335 -3.295 4.047 1.00 0.00 C ATOM 0 H ILE A 80 -6.253 -1.122 1.079 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.824 -2.222 2.087 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.601 -3.999 2.884 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.157 -4.429 2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.034 -2.696 2.007 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.680 -4.989 0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.225 -4.138 0.453 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.696 -3.349 -0.000 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.266 -3.344 4.252 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.721 -2.327 4.365 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.846 -4.087 4.594 1.00 0.00 H new ATOM 1276 N GLY A 81 -6.896 -0.241 3.636 1.00 0.00 N ATOM 1277 CA GLY A 81 -6.644 0.450 4.887 1.00 0.00 C ATOM 1278 C GLY A 81 -5.256 1.077 4.892 1.00 0.00 C ATOM 1279 O GLY A 81 -4.497 0.968 3.921 1.00 0.00 O ATOM 0 H GLY A 81 -6.425 0.179 2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.397 1.223 5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.734 -0.250 5.718 1.00 0.00 H new ATOM 1283 N GLY A 82 -4.950 1.757 5.994 1.00 0.00 N ATOM 1284 CA GLY A 82 -3.704 2.456 6.224 1.00 0.00 C ATOM 1285 C GLY A 82 -2.714 1.552 6.943 1.00 0.00 C ATOM 1286 O GLY A 82 -1.954 0.832 6.294 1.00 0.00 O ATOM 0 H GLY A 82 -5.596 1.835 6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.283 2.784 5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.886 3.352 6.818 1.00 0.00 H new ATOM 1290 N CYS A 83 -2.740 1.574 8.279 1.00 0.00 N ATOM 1291 CA CYS A 83 -1.736 0.945 9.128 1.00 0.00 C ATOM 1292 C CYS A 83 -2.374 0.038 10.177 1.00 0.00 C ATOM 1293 O CYS A 83 -2.133 -1.162 10.160 1.00 0.00 O ATOM 1294 CB CYS A 83 -0.837 2.022 9.761 1.00 0.00 C ATOM 1295 SG CYS A 83 0.851 1.382 9.944 1.00 0.00 S ATOM 0 H CYS A 83 -3.477 2.041 8.807 1.00 0.00 H new ATOM 0 HA CYS A 83 -1.110 0.302 8.510 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -0.831 2.916 9.138 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -1.233 2.314 10.734 1.00 0.00 H new ATOM 0 HG CYS A 83 1.266 1.594 11.158 1.00 0.00 H new ATOM 1301 N SER A 84 -3.193 0.571 11.083 1.00 0.00 N ATOM 1302 CA SER A 84 -3.834 -0.234 12.116 1.00 0.00 C ATOM 1303 C SER A 84 -4.818 -1.226 11.480 1.00 0.00 C ATOM 1304 O SER A 84 -4.933 -2.365 11.936 1.00 0.00 O ATOM 1305 CB SER A 84 -4.528 0.713 13.095 1.00 0.00 C ATOM 1306 OG SER A 84 -4.855 0.092 14.316 1.00 0.00 O ATOM 0 H SER A 84 -3.428 1.563 11.120 1.00 0.00 H new ATOM 0 HA SER A 84 -3.097 -0.825 12.659 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.879 1.567 13.289 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.437 1.101 12.635 1.00 0.00 H new ATOM 0 HG SER A 84 -5.294 0.740 14.905 1.00 0.00 H new ATOM 1312 N ASP A 85 -5.513 -0.815 10.417 1.00 0.00 N ATOM 1313 CA ASP A 85 -6.391 -1.693 9.649 1.00 0.00 C ATOM 1314 C ASP A 85 -5.540 -2.818 9.062 1.00 0.00 C ATOM 1315 O ASP A 85 -5.776 -3.990 9.347 1.00 0.00 O ATOM 1316 CB ASP A 85 -7.126 -0.906 8.550 1.00 0.00 C ATOM 1317 CG ASP A 85 -8.356 -0.182 9.096 1.00 0.00 C ATOM 1318 OD1 ASP A 85 -9.365 -0.859 9.379 1.00 0.00 O ATOM 1319 OD2 ASP A 85 -8.303 1.063 9.256 1.00 0.00 O ATOM 0 H ASP A 85 -5.481 0.142 10.065 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.159 -2.118 10.295 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.445 -0.180 8.105 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.429 -1.588 7.755 1.00 0.00 H new ATOM 1324 N LEU A 86 -4.492 -2.452 8.312 1.00 0.00 N ATOM 1325 CA LEU A 86 -3.527 -3.373 7.713 1.00 0.00 C ATOM 1326 C LEU A 86 -3.004 -4.386 8.733 1.00 0.00 C ATOM 1327 O LEU A 86 -2.916 -5.571 8.416 1.00 0.00 O ATOM 1328 CB LEU A 86 -2.365 -2.567 7.102 1.00 0.00 C ATOM 1329 CG LEU A 86 -1.184 -3.434 6.627 1.00 0.00 C ATOM 1330 CD1 LEU A 86 -1.602 -4.359 5.479 1.00 0.00 C ATOM 1331 CD2 LEU A 86 -0.014 -2.521 6.244 1.00 0.00 C ATOM 0 H LEU A 86 -4.289 -1.475 8.101 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.030 -3.939 6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.741 -1.989 6.258 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.004 -1.852 7.841 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.860 -4.086 7.438 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.747 -4.958 5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.403 -5.017 5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.953 -3.760 4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.826 -3.128 5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.323 -1.851 5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.288 -1.934 7.111 1.00 0.00 H new ATOM 1343 N VAL A 87 -2.641 -3.930 9.931 1.00 0.00 N ATOM 1344 CA VAL A 87 -2.134 -4.752 11.000 1.00 0.00 C ATOM 1345 C VAL A 87 -3.138 -5.856 11.324 1.00 0.00 C ATOM 1346 O VAL A 87 -2.695 -6.999 11.396 1.00 0.00 O ATOM 1347 CB VAL A 87 -1.775 -3.833 12.183 1.00 0.00 C ATOM 1348 CG1 VAL A 87 -1.760 -4.561 13.521 1.00 0.00 C ATOM 1349 CG2 VAL A 87 -0.396 -3.192 11.969 1.00 0.00 C ATOM 0 H VAL A 87 -2.698 -2.943 10.181 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.220 -5.275 10.720 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.556 -3.073 12.217 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.500 -3.860 14.314 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.746 -4.982 13.717 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.023 -5.363 13.491 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.160 -2.546 12.815 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.360 -3.973 11.887 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.408 -2.601 11.053 1.00 0.00 H new ATOM 1359 N SER A 88 -4.446 -5.582 11.470 1.00 0.00 N ATOM 1360 CA SER A 88 -5.387 -6.645 11.837 1.00 0.00 C ATOM 1361 C SER A 88 -5.361 -7.646 10.700 1.00 0.00 C ATOM 1362 O SER A 88 -5.241 -8.844 10.941 1.00 0.00 O ATOM 1363 CB SER A 88 -6.851 -6.203 11.893 1.00 0.00 C ATOM 1364 OG SER A 88 -7.306 -6.255 13.232 1.00 0.00 O ATOM 0 H SER A 88 -4.863 -4.660 11.343 1.00 0.00 H new ATOM 0 HA SER A 88 -5.083 -7.005 12.820 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.952 -5.191 11.502 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.462 -6.850 11.264 1.00 0.00 H new ATOM 0 HG SER A 88 -8.243 -5.971 13.270 1.00 0.00 H new ATOM 1370 N LEU A 89 -5.491 -7.152 9.464 1.00 0.00 N ATOM 1371 CA LEU A 89 -5.567 -8.024 8.320 1.00 0.00 C ATOM 1372 C LEU A 89 -4.307 -8.889 8.253 1.00 0.00 C ATOM 1373 O LEU A 89 -4.418 -10.037 7.839 1.00 0.00 O ATOM 1374 CB LEU A 89 -5.820 -7.235 7.022 1.00 0.00 C ATOM 1375 CG LEU A 89 -7.280 -6.784 6.779 1.00 0.00 C ATOM 1376 CD1 LEU A 89 -7.618 -5.432 7.401 1.00 0.00 C ATOM 1377 CD2 LEU A 89 -7.552 -6.712 5.268 1.00 0.00 C ATOM 0 H LEU A 89 -5.544 -6.157 9.246 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.424 -8.689 8.431 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.183 -6.350 7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.505 -7.850 6.179 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.912 -7.528 7.264 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.658 -5.183 7.188 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.470 -5.481 8.480 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.968 -4.665 6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.581 -6.394 5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.871 -5.996 4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.398 -7.695 4.823 1.00 0.00 H new ATOM 1389 N GLN A 90 -3.124 -8.421 8.665 1.00 0.00 N ATOM 1390 CA GLN A 90 -1.955 -9.289 8.730 1.00 0.00 C ATOM 1391 C GLN A 90 -2.110 -10.285 9.892 1.00 0.00 C ATOM 1392 O GLN A 90 -1.914 -11.478 9.679 1.00 0.00 O ATOM 1393 CB GLN A 90 -0.660 -8.472 8.866 1.00 0.00 C ATOM 1394 CG GLN A 90 0.580 -9.390 8.772 1.00 0.00 C ATOM 1395 CD GLN A 90 1.765 -8.936 9.618 1.00 0.00 C ATOM 1396 OE1 GLN A 90 1.622 -8.534 10.772 1.00 0.00 O ATOM 1397 NE2 GLN A 90 2.975 -9.061 9.106 1.00 0.00 N ATOM 0 H GLN A 90 -2.956 -7.457 8.954 1.00 0.00 H new ATOM 0 HA GLN A 90 -1.885 -9.849 7.797 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.618 -7.715 8.083 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.656 -7.944 9.820 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.296 -10.397 9.077 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.895 -9.450 7.730 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.092 -9.394 8.149 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.793 -8.824 9.667 1.00 0.00 H new ATOM 1406 N GLN A 91 -2.411 -9.828 11.111 1.00 0.00 N ATOM 1407 CA GLN A 91 -2.318 -10.604 12.342 1.00 0.00 C ATOM 1408 C GLN A 91 -3.411 -11.686 12.367 1.00 0.00 C ATOM 1409 O GLN A 91 -3.111 -12.856 12.590 1.00 0.00 O ATOM 1410 CB GLN A 91 -2.460 -9.612 13.514 1.00 0.00 C ATOM 1411 CG GLN A 91 -1.283 -9.638 14.488 1.00 0.00 C ATOM 1412 CD GLN A 91 -1.459 -10.602 15.654 1.00 0.00 C ATOM 1413 OE1 GLN A 91 -1.898 -10.198 16.728 1.00 0.00 O ATOM 1414 NE2 GLN A 91 -1.104 -11.863 15.508 1.00 0.00 N ATOM 0 H GLN A 91 -2.737 -8.874 11.269 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.363 -11.124 12.417 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.567 -8.604 13.114 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.376 -9.837 14.060 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.379 -9.908 13.941 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.129 -8.633 14.882 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -0.740 -12.190 14.613 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -1.193 -12.512 16.290 1.00 0.00 H new ATOM 1423 N SER A 92 -4.655 -11.305 12.059 1.00 0.00 N ATOM 1424 CA SER A 92 -5.785 -12.185 11.767 1.00 0.00 C ATOM 1425 C SER A 92 -5.486 -13.049 10.542 1.00 0.00 C ATOM 1426 O SER A 92 -5.926 -14.197 10.441 1.00 0.00 O ATOM 1427 CB SER A 92 -7.009 -11.298 11.475 1.00 0.00 C ATOM 1428 OG SER A 92 -8.220 -12.029 11.442 1.00 0.00 O ATOM 0 H SER A 92 -4.912 -10.319 12.004 1.00 0.00 H new ATOM 0 HA SER A 92 -5.971 -12.843 12.616 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.079 -10.521 12.237 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.867 -10.795 10.519 1.00 0.00 H new ATOM 0 HG SER A 92 -8.965 -11.420 11.255 1.00 0.00 H new ATOM 1434 N GLY A 93 -4.747 -12.486 9.589 1.00 0.00 N ATOM 1435 CA GLY A 93 -4.424 -13.129 8.340 1.00 0.00 C ATOM 1436 C GLY A 93 -5.510 -12.928 7.298 1.00 0.00 C ATOM 1437 O GLY A 93 -5.545 -13.698 6.341 1.00 0.00 O ATOM 0 H GLY A 93 -4.353 -11.549 9.676 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.481 -12.733 7.962 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.277 -14.196 8.509 1.00 0.00 H new ATOM 1441 N GLU A 94 -6.402 -11.932 7.420 1.00 0.00 N ATOM 1442 CA GLU A 94 -7.303 -11.617 6.318 1.00 0.00 C ATOM 1443 C GLU A 94 -6.502 -11.283 5.051 1.00 0.00 C ATOM 1444 O GLU A 94 -6.822 -11.761 3.962 1.00 0.00 O ATOM 1445 CB GLU A 94 -8.148 -10.421 6.744 1.00 0.00 C ATOM 1446 CG GLU A 94 -9.309 -10.087 5.801 1.00 0.00 C ATOM 1447 CD GLU A 94 -10.627 -10.700 6.270 1.00 0.00 C ATOM 1448 OE1 GLU A 94 -11.023 -10.445 7.431 1.00 0.00 O ATOM 1449 OE2 GLU A 94 -11.312 -11.366 5.463 1.00 0.00 O ATOM 0 H GLU A 94 -6.512 -11.349 8.250 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.940 -12.472 6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.550 -10.614 7.739 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.501 -9.547 6.825 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.418 -9.005 5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.077 -10.450 4.800 1.00 0.00 H new ATOM 1456 N LEU A 95 -5.425 -10.504 5.216 1.00 0.00 N ATOM 1457 CA LEU A 95 -4.576 -9.969 4.155 1.00 0.00 C ATOM 1458 C LEU A 95 -4.060 -11.096 3.265 1.00 0.00 C ATOM 1459 O LEU A 95 -3.931 -10.907 2.064 1.00 0.00 O ATOM 1460 CB LEU A 95 -3.395 -9.192 4.777 1.00 0.00 C ATOM 1461 CG LEU A 95 -2.877 -7.952 4.033 1.00 0.00 C ATOM 1462 CD1 LEU A 95 -2.401 -8.251 2.625 1.00 0.00 C ATOM 1463 CD2 LEU A 95 -3.876 -6.792 3.965 1.00 0.00 C ATOM 0 H LEU A 95 -5.110 -10.218 6.143 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.165 -9.290 3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.690 -8.881 5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.562 -9.886 4.891 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.031 -7.642 4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.049 -7.332 2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.587 -8.974 2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.225 -8.662 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.429 -5.958 3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.778 -7.119 3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.132 -6.473 4.975 1.00 0.00 H new ATOM 1475 N LEU A 96 -3.779 -12.267 3.837 1.00 0.00 N ATOM 1476 CA LEU A 96 -3.318 -13.438 3.099 1.00 0.00 C ATOM 1477 C LEU A 96 -4.345 -13.904 2.068 1.00 0.00 C ATOM 1478 O LEU A 96 -3.986 -14.051 0.899 1.00 0.00 O ATOM 1479 CB LEU A 96 -2.932 -14.589 4.032 1.00 0.00 C ATOM 1480 CG LEU A 96 -1.567 -14.346 4.702 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -1.709 -13.650 6.058 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -0.850 -15.678 4.876 1.00 0.00 C ATOM 0 H LEU A 96 -3.867 -12.429 4.840 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.421 -13.128 2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.698 -14.708 4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.899 -15.520 3.467 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.987 -13.686 4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.722 -13.499 6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.198 -12.685 5.922 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.309 -14.270 6.724 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.117 -15.511 5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.452 -16.336 5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.701 -16.141 3.901 1.00 0.00 H new ATOM 1494 N THR A 97 -5.604 -14.129 2.458 1.00 0.00 N ATOM 1495 CA THR A 97 -6.629 -14.492 1.486 1.00 0.00 C ATOM 1496 C THR A 97 -6.867 -13.317 0.533 1.00 0.00 C ATOM 1497 O THR A 97 -6.956 -13.520 -0.677 1.00 0.00 O ATOM 1498 CB THR A 97 -7.899 -14.933 2.226 1.00 0.00 C ATOM 1499 OG1 THR A 97 -7.673 -16.177 2.868 1.00 0.00 O ATOM 1500 CG2 THR A 97 -9.090 -15.149 1.293 1.00 0.00 C ATOM 0 H THR A 97 -5.930 -14.067 3.423 1.00 0.00 H new ATOM 0 HA THR A 97 -6.305 -15.336 0.877 1.00 0.00 H new ATOM 0 HB THR A 97 -8.127 -14.131 2.928 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.486 -16.454 3.340 1.00 0.00 H new ATOM 0 HG21 THR A 97 -9.957 -15.460 1.876 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.317 -14.219 0.772 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.846 -15.923 0.565 1.00 0.00 H new ATOM 1508 N ARG A 98 -6.907 -12.087 1.054 1.00 0.00 N ATOM 1509 CA ARG A 98 -7.103 -10.876 0.262 1.00 0.00 C ATOM 1510 C ARG A 98 -6.056 -10.802 -0.861 1.00 0.00 C ATOM 1511 O ARG A 98 -6.391 -10.521 -2.007 1.00 0.00 O ATOM 1512 CB ARG A 98 -7.090 -9.664 1.222 1.00 0.00 C ATOM 1513 CG ARG A 98 -8.127 -8.586 0.891 1.00 0.00 C ATOM 1514 CD ARG A 98 -7.724 -7.777 -0.337 1.00 0.00 C ATOM 1515 NE ARG A 98 -8.802 -7.011 -0.973 1.00 0.00 N ATOM 1516 CZ ARG A 98 -9.708 -6.159 -0.484 1.00 0.00 C ATOM 1517 NH1 ARG A 98 -9.955 -6.011 0.813 1.00 0.00 N ATOM 1518 NH2 ARG A 98 -10.360 -5.419 -1.367 1.00 0.00 N ATOM 0 H ARG A 98 -6.802 -11.905 2.052 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.068 -10.879 -0.245 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.263 -10.018 2.238 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.097 -9.214 1.206 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.096 -9.054 0.717 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.244 -7.919 1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.931 -7.086 -0.051 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.301 -8.458 -1.076 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.873 -7.157 -1.980 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.440 -6.565 1.497 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.660 -5.343 1.125 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.159 -5.517 -2.362 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.063 -4.751 -1.052 1.00 0.00 H new ATOM 1532 N LEU A 99 -4.789 -11.083 -0.558 1.00 0.00 N ATOM 1533 CA LEU A 99 -3.709 -11.209 -1.524 1.00 0.00 C ATOM 1534 C LEU A 99 -3.900 -12.379 -2.467 1.00 0.00 C ATOM 1535 O LEU A 99 -3.641 -12.236 -3.658 1.00 0.00 O ATOM 1536 CB LEU A 99 -2.391 -11.401 -0.761 1.00 0.00 C ATOM 1537 CG LEU A 99 -1.748 -10.087 -0.335 1.00 0.00 C ATOM 1538 CD1 LEU A 99 -0.654 -10.406 0.679 1.00 0.00 C ATOM 1539 CD2 LEU A 99 -1.142 -9.354 -1.534 1.00 0.00 C ATOM 0 H LEU A 99 -4.480 -11.234 0.402 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.698 -10.301 -2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.576 -12.011 0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.692 -11.953 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.506 -9.437 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.176 -9.481 1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.092 -10.908 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.089 -11.057 0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.691 -8.420 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.379 -9.981 -1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.924 -9.138 -2.262 1.00 0.00 H new ATOM 1551 N LYS A 100 -4.288 -13.556 -1.986 1.00 0.00 N ATOM 1552 CA LYS A 100 -4.483 -14.684 -2.892 1.00 0.00 C ATOM 1553 C LYS A 100 -5.597 -14.434 -3.900 1.00 0.00 C ATOM 1554 O LYS A 100 -5.489 -14.913 -5.027 1.00 0.00 O ATOM 1555 CB LYS A 100 -4.695 -15.970 -2.099 1.00 0.00 C ATOM 1556 CG LYS A 100 -3.311 -16.553 -1.785 1.00 0.00 C ATOM 1557 CD LYS A 100 -3.407 -18.016 -1.328 1.00 0.00 C ATOM 1558 CE LYS A 100 -1.994 -18.594 -1.347 1.00 0.00 C ATOM 1559 NZ LYS A 100 -1.914 -20.035 -1.055 1.00 0.00 N ATOM 0 H LYS A 100 -4.470 -13.752 -1.002 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.574 -14.800 -3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.243 -15.767 -1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.289 -16.681 -2.673 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.678 -16.488 -2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.833 -15.958 -1.007 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.834 -18.078 -0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.062 -18.583 -1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.555 -18.411 -2.328 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.386 -18.056 -0.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.921 -20.342 -1.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.301 -20.219 -0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.464 -20.564 -1.762 1.00 0.00 H new ATOM 1573 N GLN A 101 -6.575 -13.599 -3.562 1.00 0.00 N ATOM 1574 CA GLN A 101 -7.569 -13.087 -4.495 1.00 0.00 C ATOM 1575 C GLN A 101 -6.941 -12.373 -5.707 1.00 0.00 C ATOM 1576 O GLN A 101 -7.646 -12.170 -6.696 1.00 0.00 O ATOM 1577 CB GLN A 101 -8.536 -12.148 -3.748 1.00 0.00 C ATOM 1578 CG GLN A 101 -9.971 -12.189 -4.298 1.00 0.00 C ATOM 1579 CD GLN A 101 -10.673 -13.523 -4.024 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -10.428 -14.192 -3.025 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -11.584 -13.950 -4.881 1.00 0.00 N ATOM 0 H GLN A 101 -6.700 -13.253 -2.611 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.116 -13.940 -4.896 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.551 -12.419 -2.692 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -8.160 -11.127 -3.810 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -10.550 -11.380 -3.851 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.949 -12.009 -5.373 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -11.796 -13.402 -5.715 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -12.075 -14.827 -4.708 1.00 0.00 H new ATOM 1590 N ILE A 102 -5.654 -11.993 -5.673 1.00 0.00 N ATOM 1591 CA ILE A 102 -4.942 -11.364 -6.789 1.00 0.00 C ATOM 1592 C ILE A 102 -3.774 -12.234 -7.306 1.00 0.00 C ATOM 1593 O ILE A 102 -2.939 -11.746 -8.069 1.00 0.00 O ATOM 1594 CB ILE A 102 -4.544 -9.910 -6.428 1.00 0.00 C ATOM 1595 CG1 ILE A 102 -3.316 -9.772 -5.519 1.00 0.00 C ATOM 1596 CG2 ILE A 102 -5.660 -9.151 -5.718 1.00 0.00 C ATOM 1597 CD1 ILE A 102 -2.253 -8.849 -6.106 1.00 0.00 C ATOM 0 H ILE A 102 -5.068 -12.119 -4.847 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.621 -11.294 -7.639 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.320 -9.493 -7.410 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.629 -9.389 -4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.882 -10.757 -5.348 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.324 -8.139 -5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.537 -9.105 -6.364 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.918 -9.665 -4.792 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.407 -8.787 -5.422 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -1.917 -9.244 -7.065 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.675 -7.855 -6.252 1.00 0.00 H new ATOM 1609 N GLY A 103 -3.682 -13.508 -6.900 1.00 0.00 N ATOM 1610 CA GLY A 103 -2.661 -14.439 -7.387 1.00 0.00 C ATOM 1611 C GLY A 103 -1.265 -14.141 -6.831 1.00 0.00 C ATOM 1612 O GLY A 103 -0.272 -14.264 -7.547 1.00 0.00 O ATOM 0 H GLY A 103 -4.319 -13.922 -6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.945 -15.456 -7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.629 -14.397 -8.476 1.00 0.00 H new ATOM 1616 N ALA A 104 -1.190 -13.704 -5.572 1.00 0.00 N ATOM 1617 CA ALA A 104 0.015 -13.223 -4.923 1.00 0.00 C ATOM 1618 C ALA A 104 0.789 -14.326 -4.234 1.00 0.00 C ATOM 1619 O ALA A 104 1.949 -14.493 -4.566 1.00 0.00 O ATOM 1620 CB ALA A 104 -0.423 -12.224 -3.860 1.00 0.00 C ATOM 0 H ALA A 104 -2.004 -13.678 -4.958 1.00 0.00 H new ATOM 0 HA ALA A 104 0.667 -12.789 -5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.454 -11.834 -3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.961 -11.402 -4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.076 -12.720 -3.142 1.00 0.00 H new ATOM 1626 N LEU A 105 0.288 -14.971 -3.179 1.00 0.00 N ATOM 1627 CA LEU A 105 1.186 -15.800 -2.422 1.00 0.00 C ATOM 1628 C LEU A 105 1.430 -17.067 -3.227 1.00 0.00 C ATOM 1629 O LEU A 105 0.490 -17.680 -3.748 1.00 0.00 O ATOM 1630 CB LEU A 105 0.634 -16.122 -1.056 1.00 0.00 C ATOM 1631 CG LEU A 105 -0.024 -14.989 -0.248 1.00 0.00 C ATOM 1632 CD1 LEU A 105 -0.522 -15.535 1.088 1.00 0.00 C ATOM 1633 CD2 LEU A 105 0.967 -13.849 0.010 1.00 0.00 C ATOM 0 H LEU A 105 -0.678 -14.933 -2.854 1.00 0.00 H new ATOM 0 HA LEU A 105 2.123 -15.270 -2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.102 -16.917 -1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.448 -16.528 -0.456 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.860 -14.598 -0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.988 -14.731 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.253 -16.324 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.318 -15.940 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.476 -13.062 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.820 -14.229 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.311 -13.444 -0.942 1.00 0.00 H new ATOM 1645 N GLN A 106 2.695 -17.427 -3.312 1.00 0.00 N ATOM 1646 CA GLN A 106 3.210 -18.428 -4.225 1.00 0.00 C ATOM 1647 C GLN A 106 2.940 -19.810 -3.659 1.00 0.00 C ATOM 1648 O GLN A 106 2.292 -20.620 -4.352 1.00 0.00 O ATOM 1649 CB GLN A 106 4.696 -18.139 -4.482 1.00 0.00 C ATOM 1650 CG GLN A 106 5.283 -19.095 -5.530 1.00 0.00 C ATOM 1651 CD GLN A 106 6.601 -18.578 -6.107 1.00 0.00 C ATOM 1652 OE1 GLN A 106 7.403 -17.929 -5.438 1.00 0.00 O ATOM 1653 NE2 GLN A 106 6.842 -18.792 -7.385 1.00 0.00 N ATOM 1654 OXT GLN A 106 3.375 -20.098 -2.524 1.00 0.00 O ATOM 0 H GLN A 106 3.420 -17.015 -2.725 1.00 0.00 H new ATOM 0 HA GLN A 106 2.707 -18.391 -5.191 1.00 0.00 H new ATOM 0 HB2 GLN A 106 4.814 -17.110 -4.821 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.253 -18.234 -3.550 1.00 0.00 H new ATOM 0 HG2 GLN A 106 5.445 -20.073 -5.077 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.564 -19.233 -6.337 1.00 0.00 H new ATOM 0 HE21 GLN A 106 6.181 -19.330 -7.946 1.00 0.00 H new ATOM 0 HE22 GLN A 106 7.690 -18.420 -7.813 1.00 0.00 H new