USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 872 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 71 SER OG : rot -61:sc= 0.15 USER MOD Set 1.2: A 88 ASN : amide:sc= -2.14! C(o=-2!,f=-3.1!) USER MOD Set 2.1: A 26 GLN : amide:sc= -0.288 K(o=-1.7,f=-4.2) USER MOD Set 2.2: A 63 GLN : amide:sc= -1.44 K(o=-1.7,f=-2.6!) USER MOD Set 3.1: A 55 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Set 3.2: A 86 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Set 4.1: A 51 THR OG1 : rot 66:sc= 0.434 USER MOD Set 4.2: A 82 GLN :FLIP amide:sc= 0.389 F(o=-2.4,f=0.82) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 0 (180deg=-0.363) USER MOD Single : A 4 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.57) USER MOD Single : A 6 THR OG1 : rot -140:sc= -0.542 USER MOD Single : A 7 LYS NZ :NH3+ 162:sc= -0.0225 (180deg=-0.397) USER MOD Single : A 14 ASN : amide:sc= -0.728 X(o=-0.73,f=-0.34) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN :FLIP amide:sc= -3.4! C(o=-6.8!,f=-3.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -151:sc= 0.639 (180deg=-1.54!) USER MOD Single : A 30 ASN :FLIP amide:sc= -9.67 F(o=-14!,f=-9.7) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-2.9!) USER MOD Single : A 34 SER OG : rot -57:sc= 0.235 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.37 K(o=-1.4,f=-4.8!) USER MOD Single : A 45 THR OG1 : rot -150:sc= -3.65! USER MOD Single : A 49 LYS NZ :NH3+ 151:sc= -0.176 (180deg=-1.1) USER MOD Single : A 54 LYS NZ :NH3+ 157:sc= 1.26 (180deg=0.632) USER MOD Single : A 66 SER OG : rot 180:sc= -0.596 USER MOD Single : A 67 TYR OH : rot -2:sc= 0.888 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -2.74! C(o=-2.7!,f=-3.9!) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 87 LYS NZ :NH3+ 161:sc= -0.0507 (180deg=-0.454) USER MOD Single : A 89 SER OG : rot 49:sc= 0.122 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.815) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.615 X(o=-0.62,f=-1) USER MOD Single : A 105 HIS : no HD1:sc= 0.341 K(o=0.34,f=-5!) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 107 HIS : no HD1:sc= -0.299 K(o=-0.3,f=-1.1) USER MOD Single : A 108 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-2.3!) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.361 2.083 -12.364 1.00 0.00 N ATOM 2 CA MET A 1 -12.681 2.650 -12.759 1.00 0.00 C ATOM 3 C MET A 1 -13.284 3.398 -11.565 1.00 0.00 C ATOM 4 O MET A 1 -14.094 2.872 -10.830 1.00 0.00 O ATOM 5 CB MET A 1 -13.611 1.514 -13.201 1.00 0.00 C ATOM 6 CG MET A 1 -14.928 2.095 -13.716 1.00 0.00 C ATOM 7 SD MET A 1 -15.972 0.753 -14.338 1.00 0.00 S ATOM 8 CE MET A 1 -17.338 1.780 -14.934 1.00 0.00 C ATOM 0 H1 MET A 1 -11.065 1.373 -13.064 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.654 2.845 -12.323 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.442 1.634 -11.429 1.00 0.00 H new ATOM 0 HA MET A 1 -12.556 3.345 -13.589 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.133 0.923 -13.983 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.802 0.841 -12.365 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.441 2.629 -12.916 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.735 2.818 -14.509 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.110 1.143 -15.366 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.758 2.346 -14.102 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.970 2.470 -15.693 1.00 0.00 H new ATOM 20 N GLU A 2 -12.878 4.626 -11.372 1.00 0.00 N ATOM 21 CA GLU A 2 -13.401 5.435 -10.231 1.00 0.00 C ATOM 22 C GLU A 2 -13.102 4.726 -8.903 1.00 0.00 C ATOM 23 O GLU A 2 -13.986 4.510 -8.098 1.00 0.00 O ATOM 24 CB GLU A 2 -14.915 5.626 -10.378 1.00 0.00 C ATOM 25 CG GLU A 2 -15.248 6.070 -11.805 1.00 0.00 C ATOM 26 CD GLU A 2 -14.527 7.383 -12.120 1.00 0.00 C ATOM 27 OE1 GLU A 2 -14.676 8.316 -11.349 1.00 0.00 O ATOM 28 OE2 GLU A 2 -13.842 7.431 -13.127 1.00 0.00 O ATOM 0 H GLU A 2 -12.200 5.108 -11.962 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.911 6.409 -10.237 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -15.432 4.694 -10.148 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -15.267 6.371 -9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -14.947 5.300 -12.515 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -16.325 6.200 -11.913 1.00 0.00 H new ATOM 35 N PRO A 3 -11.864 4.370 -8.674 1.00 0.00 N ATOM 36 CA PRO A 3 -11.441 3.678 -7.417 1.00 0.00 C ATOM 37 C PRO A 3 -11.568 4.580 -6.180 1.00 0.00 C ATOM 38 O PRO A 3 -11.369 5.779 -6.243 1.00 0.00 O ATOM 39 CB PRO A 3 -9.974 3.296 -7.687 1.00 0.00 C ATOM 40 CG PRO A 3 -9.506 4.277 -8.714 1.00 0.00 C ATOM 41 CD PRO A 3 -10.727 4.592 -9.583 1.00 0.00 C ATOM 0 HA PRO A 3 -12.071 2.818 -7.191 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.375 3.359 -6.778 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.893 2.272 -8.052 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.119 5.180 -8.243 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.698 3.859 -9.314 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.703 5.617 -9.952 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.778 3.940 -10.455 1.00 0.00 H new ATOM 49 N GLN A 4 -11.899 4.011 -5.055 1.00 0.00 N ATOM 50 CA GLN A 4 -12.044 4.832 -3.824 1.00 0.00 C ATOM 51 C GLN A 4 -10.661 5.185 -3.278 1.00 0.00 C ATOM 52 O GLN A 4 -10.072 4.446 -2.515 1.00 0.00 O ATOM 53 CB GLN A 4 -12.831 4.033 -2.781 1.00 0.00 C ATOM 54 CG GLN A 4 -14.280 3.867 -3.251 1.00 0.00 C ATOM 55 CD GLN A 4 -14.973 5.232 -3.273 1.00 0.00 C ATOM 56 OE1 GLN A 4 -15.034 5.877 -4.300 1.00 0.00 O ATOM 57 NE2 GLN A 4 -15.494 5.706 -2.174 1.00 0.00 N ATOM 0 H GLN A 4 -12.075 3.013 -4.936 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.578 5.754 -4.054 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -12.371 3.056 -2.633 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.806 4.546 -1.820 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -14.301 3.421 -4.245 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -14.813 3.188 -2.586 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -15.443 5.165 -1.311 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -15.952 6.617 -2.178 1.00 0.00 H new ATOM 66 N LEU A 5 -10.141 6.314 -3.670 1.00 0.00 N ATOM 67 CA LEU A 5 -8.796 6.728 -3.184 1.00 0.00 C ATOM 68 C LEU A 5 -8.903 7.235 -1.748 1.00 0.00 C ATOM 69 O LEU A 5 -9.821 7.950 -1.400 1.00 0.00 O ATOM 70 CB LEU A 5 -8.264 7.849 -4.079 1.00 0.00 C ATOM 71 CG LEU A 5 -8.257 7.383 -5.540 1.00 0.00 C ATOM 72 CD1 LEU A 5 -7.733 8.513 -6.430 1.00 0.00 C ATOM 73 CD2 LEU A 5 -7.365 6.139 -5.694 1.00 0.00 C ATOM 0 H LEU A 5 -10.591 6.970 -4.308 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.118 5.875 -3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.886 8.738 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.256 8.127 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.272 7.125 -5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.727 8.185 -7.469 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -8.379 9.385 -6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.719 8.775 -6.126 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.367 5.816 -6.735 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.346 6.382 -5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.749 5.336 -5.065 1.00 0.00 H new ATOM 85 N THR A 6 -7.964 6.864 -0.912 1.00 0.00 N ATOM 86 CA THR A 6 -7.985 7.313 0.514 1.00 0.00 C ATOM 87 C THR A 6 -6.618 7.882 0.889 1.00 0.00 C ATOM 88 O THR A 6 -5.591 7.292 0.620 1.00 0.00 O ATOM 89 CB THR A 6 -8.314 6.120 1.408 1.00 0.00 C ATOM 90 OG1 THR A 6 -9.635 5.682 1.125 1.00 0.00 O ATOM 91 CG2 THR A 6 -8.212 6.533 2.875 1.00 0.00 C ATOM 0 H THR A 6 -7.177 6.264 -1.160 1.00 0.00 H new ATOM 0 HA THR A 6 -8.741 8.086 0.648 1.00 0.00 H new ATOM 0 HB THR A 6 -7.609 5.311 1.217 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.085 5.439 1.961 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.447 5.679 3.511 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.199 6.875 3.087 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.917 7.340 3.076 1.00 0.00 H new ATOM 99 N LYS A 7 -6.599 9.034 1.502 1.00 0.00 N ATOM 100 CA LYS A 7 -5.304 9.660 1.891 1.00 0.00 C ATOM 101 C LYS A 7 -4.846 9.122 3.249 1.00 0.00 C ATOM 102 O LYS A 7 -5.634 8.639 4.038 1.00 0.00 O ATOM 103 CB LYS A 7 -5.488 11.175 1.975 1.00 0.00 C ATOM 104 CG LYS A 7 -5.759 11.728 0.575 1.00 0.00 C ATOM 105 CD LYS A 7 -5.967 13.241 0.650 1.00 0.00 C ATOM 106 CE LYS A 7 -6.181 13.796 -0.759 1.00 0.00 C ATOM 107 NZ LYS A 7 -7.451 13.255 -1.320 1.00 0.00 N ATOM 0 H LYS A 7 -7.430 9.571 1.751 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.547 9.419 1.144 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.317 11.416 2.641 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.596 11.639 2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.923 11.498 -0.085 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.642 11.250 0.149 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.828 13.470 1.277 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.101 13.716 1.112 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.219 14.885 -0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.343 13.523 -1.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.755 13.844 -2.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.299 12.279 -1.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.187 13.265 -0.585 1.00 0.00 H new ATOM 121 N ILE A 8 -3.572 9.200 3.523 1.00 0.00 N ATOM 122 CA ILE A 8 -3.043 8.693 4.821 1.00 0.00 C ATOM 123 C ILE A 8 -3.659 9.498 5.971 1.00 0.00 C ATOM 124 O ILE A 8 -4.056 8.953 6.982 1.00 0.00 O ATOM 125 CB ILE A 8 -1.521 8.864 4.837 1.00 0.00 C ATOM 126 CG1 ILE A 8 -0.892 7.927 3.799 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.977 8.531 6.228 1.00 0.00 C ATOM 128 CD1 ILE A 8 0.595 8.258 3.638 1.00 0.00 C ATOM 0 H ILE A 8 -2.870 9.596 2.898 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.298 7.640 4.940 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.271 9.897 4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.012 6.890 4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.404 8.033 2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.106 8.654 6.234 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.423 9.201 6.963 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.226 7.500 6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.039 7.590 2.900 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.704 9.290 3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.102 8.129 4.594 1.00 0.00 H new ATOM 140 N VAL A 9 -3.734 10.791 5.827 1.00 0.00 N ATOM 141 CA VAL A 9 -4.314 11.635 6.907 1.00 0.00 C ATOM 142 C VAL A 9 -5.807 11.323 7.060 1.00 0.00 C ATOM 143 O VAL A 9 -6.396 11.556 8.097 1.00 0.00 O ATOM 144 CB VAL A 9 -4.115 13.109 6.550 1.00 0.00 C ATOM 145 CG1 VAL A 9 -4.936 13.454 5.309 1.00 0.00 C ATOM 146 CG2 VAL A 9 -4.563 13.988 7.719 1.00 0.00 C ATOM 0 H VAL A 9 -3.417 11.302 5.003 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.814 11.423 7.852 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.059 13.288 6.346 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.792 14.505 5.058 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.611 12.833 4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.992 13.270 5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.420 15.037 7.461 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.617 13.806 7.928 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.972 13.748 8.602 1.00 0.00 H new ATOM 156 N ASP A 10 -6.424 10.800 6.034 1.00 0.00 N ATOM 157 CA ASP A 10 -7.877 10.476 6.121 1.00 0.00 C ATOM 158 C ASP A 10 -8.069 9.231 6.992 1.00 0.00 C ATOM 159 O ASP A 10 -9.178 8.820 7.266 1.00 0.00 O ATOM 160 CB ASP A 10 -8.414 10.201 4.714 1.00 0.00 C ATOM 161 CG ASP A 10 -9.940 10.112 4.745 1.00 0.00 C ATOM 162 OD1 ASP A 10 -10.500 10.194 5.826 1.00 0.00 O ATOM 163 OD2 ASP A 10 -10.524 9.962 3.684 1.00 0.00 O ATOM 0 H ASP A 10 -5.984 10.583 5.140 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.416 11.314 6.563 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.101 10.994 4.035 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.995 9.270 4.331 1.00 0.00 H new ATOM 168 N ILE A 11 -6.996 8.626 7.431 1.00 0.00 N ATOM 169 CA ILE A 11 -7.129 7.411 8.282 1.00 0.00 C ATOM 170 C ILE A 11 -7.562 7.812 9.691 1.00 0.00 C ATOM 171 O ILE A 11 -6.938 8.636 10.334 1.00 0.00 O ATOM 172 CB ILE A 11 -5.787 6.673 8.344 1.00 0.00 C ATOM 173 CG1 ILE A 11 -5.451 6.119 6.956 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.874 5.520 9.349 1.00 0.00 C ATOM 175 CD1 ILE A 11 -4.010 5.606 6.939 1.00 0.00 C ATOM 0 H ILE A 11 -6.039 8.920 7.237 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.882 6.752 7.850 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.007 7.365 8.662 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.137 5.312 6.700 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.579 6.897 6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.917 4.999 9.389 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.113 5.915 10.336 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.653 4.824 9.038 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.775 5.213 5.950 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.330 6.424 7.175 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.897 4.815 7.680 1.00 0.00 H new ATOM 187 N VAL A 12 -8.632 7.230 10.172 1.00 0.00 N ATOM 188 CA VAL A 12 -9.138 7.553 11.541 1.00 0.00 C ATOM 189 C VAL A 12 -9.356 6.254 12.317 1.00 0.00 C ATOM 190 O VAL A 12 -9.223 6.217 13.523 1.00 0.00 O ATOM 191 CB VAL A 12 -10.467 8.306 11.422 1.00 0.00 C ATOM 192 CG1 VAL A 12 -10.198 9.754 11.005 1.00 0.00 C ATOM 193 CG2 VAL A 12 -11.342 7.630 10.364 1.00 0.00 C ATOM 0 H VAL A 12 -9.183 6.536 9.667 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.412 8.174 12.066 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.979 8.292 12.384 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.143 10.290 10.920 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.572 10.238 11.755 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.686 9.766 10.043 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.288 8.165 10.278 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.828 7.645 9.403 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.534 6.598 10.656 1.00 0.00 H new ATOM 203 N GLU A 13 -9.700 5.185 11.633 1.00 0.00 N ATOM 204 CA GLU A 13 -9.940 3.882 12.331 1.00 0.00 C ATOM 205 C GLU A 13 -9.260 2.740 11.572 1.00 0.00 C ATOM 206 O GLU A 13 -9.177 2.740 10.360 1.00 0.00 O ATOM 207 CB GLU A 13 -11.446 3.622 12.400 1.00 0.00 C ATOM 208 CG GLU A 13 -12.110 4.675 13.294 1.00 0.00 C ATOM 209 CD GLU A 13 -11.619 4.510 14.734 1.00 0.00 C ATOM 210 OE1 GLU A 13 -11.132 3.437 15.053 1.00 0.00 O ATOM 211 OE2 GLU A 13 -11.738 5.458 15.493 1.00 0.00 O ATOM 0 H GLU A 13 -9.824 5.161 10.621 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.523 3.932 13.337 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.877 3.656 11.399 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.635 2.624 12.795 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.874 5.675 12.931 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.194 4.569 13.254 1.00 0.00 H new ATOM 218 N ASN A 14 -8.769 1.769 12.294 1.00 0.00 N ATOM 219 CA ASN A 14 -8.081 0.617 11.658 1.00 0.00 C ATOM 220 C ASN A 14 -9.103 -0.372 11.091 1.00 0.00 C ATOM 221 O ASN A 14 -10.227 -0.453 11.544 1.00 0.00 O ATOM 222 CB ASN A 14 -7.235 -0.082 12.717 1.00 0.00 C ATOM 223 CG ASN A 14 -5.997 0.761 13.028 1.00 0.00 C ATOM 224 OD1 ASN A 14 -5.176 0.996 12.165 1.00 0.00 O ATOM 225 ND2 ASN A 14 -5.828 1.228 14.235 1.00 0.00 N ATOM 0 H ASN A 14 -8.818 1.728 13.312 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.455 0.974 10.840 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.821 -0.232 13.623 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.935 -1.069 12.364 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.006 1.791 14.454 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.518 1.030 14.960 1.00 0.00 H new ATOM 232 N GLY A 15 -8.708 -1.134 10.102 1.00 0.00 N ATOM 233 CA GLY A 15 -9.638 -2.131 9.496 1.00 0.00 C ATOM 234 C GLY A 15 -10.423 -1.463 8.369 1.00 0.00 C ATOM 235 O GLY A 15 -11.349 -2.028 7.824 1.00 0.00 O ATOM 0 H GLY A 15 -7.776 -1.107 9.687 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.077 -2.982 9.110 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.321 -2.516 10.253 1.00 0.00 H new ATOM 239 N GLN A 16 -10.061 -0.260 8.019 1.00 0.00 N ATOM 240 CA GLN A 16 -10.790 0.451 6.932 1.00 0.00 C ATOM 241 C GLN A 16 -10.354 -0.090 5.569 1.00 0.00 C ATOM 242 O GLN A 16 -9.179 -0.237 5.294 1.00 0.00 O ATOM 243 CB GLN A 16 -10.485 1.947 7.014 1.00 0.00 C ATOM 244 CG GLN A 16 -11.317 2.702 5.974 1.00 0.00 C ATOM 245 CD GLN A 16 -10.986 4.194 6.041 1.00 0.00 C ATOM 246 OE1 GLN A 16 -11.845 5.006 6.318 1.00 0.00 O ATOM 247 NE2 GLN A 16 -9.766 4.591 5.800 1.00 0.00 N ATOM 0 H GLN A 16 -9.292 0.262 8.439 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.861 0.289 7.050 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.710 2.319 8.013 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.423 2.121 6.840 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.108 2.317 4.976 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.380 2.546 6.160 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.044 3.909 5.567 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.534 5.583 5.844 1.00 0.00 H new ATOM 256 N TRP A 17 -11.297 -0.383 4.710 1.00 0.00 N ATOM 257 CA TRP A 17 -10.954 -0.915 3.357 1.00 0.00 C ATOM 258 C TRP A 17 -11.015 0.209 2.322 1.00 0.00 C ATOM 259 O TRP A 17 -11.952 0.981 2.286 1.00 0.00 O ATOM 260 CB TRP A 17 -11.964 -1.999 2.981 1.00 0.00 C ATOM 261 CG TRP A 17 -11.754 -3.183 3.865 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.321 -3.355 5.081 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.931 -4.360 3.626 1.00 0.00 C ATOM 264 NE1 TRP A 17 -11.894 -4.562 5.605 1.00 0.00 N ATOM 265 CE2 TRP A 17 -11.037 -5.219 4.744 1.00 0.00 C ATOM 266 CE3 TRP A 17 -10.108 -4.759 2.558 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.351 -6.433 4.801 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -9.418 -5.981 2.610 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.539 -6.815 3.731 1.00 0.00 C ATOM 0 H TRP A 17 -12.295 -0.276 4.889 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.946 -1.329 3.375 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.981 -1.622 3.092 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -11.841 -2.282 1.936 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -12.996 -2.664 5.563 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.177 -4.923 6.516 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -10.006 -4.122 1.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -10.447 -7.072 5.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.791 -6.280 1.783 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -9.004 -7.753 3.767 1.00 0.00 H new ATOM 280 N ALA A 18 -10.028 0.295 1.473 1.00 0.00 N ATOM 281 CA ALA A 18 -10.029 1.360 0.429 1.00 0.00 C ATOM 282 C ALA A 18 -8.767 1.229 -0.424 1.00 0.00 C ATOM 283 O ALA A 18 -7.991 0.306 -0.266 1.00 0.00 O ATOM 284 CB ALA A 18 -10.059 2.743 1.088 1.00 0.00 C ATOM 0 H ALA A 18 -9.220 -0.327 1.457 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.913 1.247 -0.198 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.059 3.513 0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.959 2.837 1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.180 2.864 1.721 1.00 0.00 H new ATOM 290 N ASN A 19 -8.560 2.152 -1.331 1.00 0.00 N ATOM 291 CA ASN A 19 -7.352 2.103 -2.211 1.00 0.00 C ATOM 292 C ASN A 19 -6.344 3.155 -1.755 1.00 0.00 C ATOM 293 O ASN A 19 -6.704 4.164 -1.184 1.00 0.00 O ATOM 294 CB ASN A 19 -7.762 2.409 -3.649 1.00 0.00 C ATOM 295 CG ASN A 19 -8.713 1.323 -4.148 1.00 0.00 C ATOM 296 OD1 ASN A 19 -8.927 0.270 -3.408 1.00 0.00 O flip ATOM 297 ND2 ASN A 19 -9.273 1.438 -5.219 1.00 0.00 N flip ATOM 0 H ASN A 19 -9.181 2.943 -1.500 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.904 1.111 -2.152 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.247 3.384 -3.701 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.880 2.457 -4.288 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.105 2.262 -5.797 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.912 0.711 -5.541 1.00 0.00 H new ATOM 304 N LEU A 20 -5.083 2.929 -2.014 1.00 0.00 N ATOM 305 CA LEU A 20 -4.038 3.916 -1.610 1.00 0.00 C ATOM 306 C LEU A 20 -3.000 4.036 -2.723 1.00 0.00 C ATOM 307 O LEU A 20 -2.580 3.052 -3.299 1.00 0.00 O ATOM 308 CB LEU A 20 -3.354 3.443 -0.322 1.00 0.00 C ATOM 309 CG LEU A 20 -2.217 4.407 0.060 1.00 0.00 C ATOM 310 CD1 LEU A 20 -2.763 5.834 0.231 1.00 0.00 C ATOM 311 CD2 LEU A 20 -1.579 3.933 1.368 1.00 0.00 C ATOM 0 H LEU A 20 -4.730 2.099 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.502 4.887 -1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.083 3.390 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.957 2.437 -0.460 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.469 4.416 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.948 6.505 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.212 6.166 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.517 5.843 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.772 4.611 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.331 3.922 2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.179 2.928 1.234 1.00 0.00 H new ATOM 323 N LYS A 21 -2.575 5.240 -3.018 1.00 0.00 N ATOM 324 CA LYS A 21 -1.548 5.452 -4.085 1.00 0.00 C ATOM 325 C LYS A 21 -0.406 6.302 -3.531 1.00 0.00 C ATOM 326 O LYS A 21 -0.623 7.318 -2.903 1.00 0.00 O ATOM 327 CB LYS A 21 -2.186 6.170 -5.274 1.00 0.00 C ATOM 328 CG LYS A 21 -1.103 6.496 -6.307 1.00 0.00 C ATOM 329 CD LYS A 21 -1.749 6.975 -7.608 1.00 0.00 C ATOM 330 CE LYS A 21 -2.474 8.304 -7.374 1.00 0.00 C ATOM 331 NZ LYS A 21 -2.734 8.961 -8.685 1.00 0.00 N ATOM 0 H LYS A 21 -2.899 6.092 -2.561 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.159 4.487 -4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.956 5.542 -5.723 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.675 7.085 -4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.437 7.266 -5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.493 5.613 -6.498 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.988 7.097 -8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.453 6.226 -7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.413 8.131 -6.848 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.870 8.955 -6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.226 9.864 -8.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.831 9.138 -9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.327 8.341 -9.273 1.00 0.00 H new ATOM 345 N ALA A 22 0.810 5.898 -3.772 1.00 0.00 N ATOM 346 CA ALA A 22 1.967 6.693 -3.271 1.00 0.00 C ATOM 347 C ALA A 22 3.250 6.185 -3.923 1.00 0.00 C ATOM 348 O ALA A 22 3.232 5.244 -4.691 1.00 0.00 O ATOM 349 CB ALA A 22 2.075 6.558 -1.751 1.00 0.00 C ATOM 0 H ALA A 22 1.053 5.055 -4.292 1.00 0.00 H new ATOM 0 HA ALA A 22 1.819 7.743 -3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.923 7.142 -1.393 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.160 6.926 -1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.219 5.510 -1.488 1.00 0.00 H new ATOM 355 N LYS A 23 4.365 6.808 -3.627 1.00 0.00 N ATOM 356 CA LYS A 23 5.663 6.376 -4.233 1.00 0.00 C ATOM 357 C LYS A 23 6.524 5.671 -3.187 1.00 0.00 C ATOM 358 O LYS A 23 6.493 5.990 -2.015 1.00 0.00 O ATOM 359 CB LYS A 23 6.404 7.603 -4.765 1.00 0.00 C ATOM 360 CG LYS A 23 6.468 8.679 -3.678 1.00 0.00 C ATOM 361 CD LYS A 23 7.485 9.754 -4.076 1.00 0.00 C ATOM 362 CE LYS A 23 6.983 10.517 -5.307 1.00 0.00 C ATOM 363 NZ LYS A 23 7.784 11.761 -5.478 1.00 0.00 N ATOM 0 H LYS A 23 4.432 7.601 -2.989 1.00 0.00 H new ATOM 0 HA LYS A 23 5.464 5.683 -5.050 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.411 7.325 -5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.895 7.993 -5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.485 9.128 -3.539 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.751 8.231 -2.725 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.640 10.445 -3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.449 9.293 -4.291 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.068 9.892 -6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.928 10.764 -5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.202 12.488 -5.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.093 12.106 -4.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.617 11.559 -6.066 1.00 0.00 H new ATOM 377 N VAL A 24 7.286 4.698 -3.611 1.00 0.00 N ATOM 378 CA VAL A 24 8.147 3.945 -2.655 1.00 0.00 C ATOM 379 C VAL A 24 9.474 4.682 -2.449 1.00 0.00 C ATOM 380 O VAL A 24 10.393 4.562 -3.233 1.00 0.00 O ATOM 381 CB VAL A 24 8.407 2.549 -3.225 1.00 0.00 C ATOM 382 CG1 VAL A 24 9.402 1.801 -2.332 1.00 0.00 C ATOM 383 CG2 VAL A 24 7.085 1.775 -3.280 1.00 0.00 C ATOM 0 H VAL A 24 7.349 4.392 -4.582 1.00 0.00 H new ATOM 0 HA VAL A 24 7.644 3.864 -1.691 1.00 0.00 H new ATOM 0 HB VAL A 24 8.825 2.637 -4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.584 0.808 -2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.341 2.354 -2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.991 1.709 -1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.263 0.779 -3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.672 1.689 -2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.379 2.306 -3.919 1.00 0.00 H new ATOM 393 N ILE A 25 9.575 5.440 -1.391 1.00 0.00 N ATOM 394 CA ILE A 25 10.835 6.184 -1.117 1.00 0.00 C ATOM 395 C ILE A 25 11.954 5.183 -0.828 1.00 0.00 C ATOM 396 O ILE A 25 13.053 5.301 -1.331 1.00 0.00 O ATOM 397 CB ILE A 25 10.627 7.077 0.105 1.00 0.00 C ATOM 398 CG1 ILE A 25 9.377 7.944 -0.098 1.00 0.00 C ATOM 399 CG2 ILE A 25 11.850 7.970 0.315 1.00 0.00 C ATOM 400 CD1 ILE A 25 9.471 8.732 -1.412 1.00 0.00 C ATOM 0 H ILE A 25 8.835 5.576 -0.702 1.00 0.00 H new ATOM 0 HA ILE A 25 11.103 6.795 -1.979 1.00 0.00 H new ATOM 0 HB ILE A 25 10.492 6.451 0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.488 7.313 -0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.267 8.634 0.739 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.693 8.603 1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.732 7.349 0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.999 8.596 -0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.575 9.340 -1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.348 9.379 -1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.557 8.037 -2.248 1.00 0.00 H new ATOM 412 N GLN A 26 11.679 4.188 -0.024 1.00 0.00 N ATOM 413 CA GLN A 26 12.718 3.171 0.289 1.00 0.00 C ATOM 414 C GLN A 26 12.042 1.836 0.597 1.00 0.00 C ATOM 415 O GLN A 26 10.940 1.786 1.117 1.00 0.00 O ATOM 416 CB GLN A 26 13.535 3.627 1.502 1.00 0.00 C ATOM 417 CG GLN A 26 14.661 2.628 1.779 1.00 0.00 C ATOM 418 CD GLN A 26 15.641 2.610 0.601 1.00 0.00 C ATOM 419 OE1 GLN A 26 15.945 3.641 0.036 1.00 0.00 O ATOM 420 NE2 GLN A 26 16.148 1.474 0.203 1.00 0.00 N ATOM 0 H GLN A 26 10.777 4.039 0.428 1.00 0.00 H new ATOM 0 HA GLN A 26 13.382 3.053 -0.567 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.953 4.617 1.318 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.889 3.711 2.376 1.00 0.00 H new ATOM 0 HG2 GLN A 26 15.185 2.901 2.695 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.246 1.632 1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.893 0.608 0.677 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.799 1.453 -0.582 1.00 0.00 H new ATOM 429 N LEU A 27 12.707 0.758 0.274 1.00 0.00 N ATOM 430 CA LEU A 27 12.148 -0.605 0.523 1.00 0.00 C ATOM 431 C LEU A 27 13.168 -1.458 1.278 1.00 0.00 C ATOM 432 O LEU A 27 14.358 -1.356 1.060 1.00 0.00 O ATOM 433 CB LEU A 27 11.808 -1.275 -0.820 1.00 0.00 C ATOM 434 CG LEU A 27 13.088 -1.632 -1.606 1.00 0.00 C ATOM 435 CD1 LEU A 27 12.689 -2.264 -2.942 1.00 0.00 C ATOM 436 CD2 LEU A 27 13.929 -0.368 -1.866 1.00 0.00 C ATOM 0 H LEU A 27 13.630 0.764 -0.160 1.00 0.00 H new ATOM 0 HA LEU A 27 11.243 -0.516 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 27 11.224 -2.178 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.187 -0.606 -1.416 1.00 0.00 H new ATOM 0 HG LEU A 27 13.684 -2.333 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.586 -2.520 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.106 -3.166 -2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.090 -1.556 -3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.828 -0.637 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.344 0.345 -2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 27 14.211 0.083 -0.915 1.00 0.00 H new ATOM 448 N TRP A 28 12.701 -2.318 2.150 1.00 0.00 N ATOM 449 CA TRP A 28 13.619 -3.211 2.920 1.00 0.00 C ATOM 450 C TRP A 28 13.134 -4.656 2.770 1.00 0.00 C ATOM 451 O TRP A 28 12.181 -5.075 3.394 1.00 0.00 O ATOM 452 CB TRP A 28 13.609 -2.796 4.390 1.00 0.00 C ATOM 453 CG TRP A 28 14.316 -1.485 4.525 1.00 0.00 C ATOM 454 CD1 TRP A 28 13.709 -0.282 4.649 1.00 0.00 C ATOM 455 CD2 TRP A 28 15.750 -1.223 4.542 1.00 0.00 C ATOM 456 NE1 TRP A 28 14.678 0.700 4.747 1.00 0.00 N ATOM 457 CE2 TRP A 28 15.952 0.169 4.686 1.00 0.00 C ATOM 458 CE3 TRP A 28 16.882 -2.052 4.449 1.00 0.00 C ATOM 459 CZ2 TRP A 28 17.233 0.721 4.737 1.00 0.00 C ATOM 460 CZ3 TRP A 28 18.173 -1.500 4.500 1.00 0.00 C ATOM 461 CH2 TRP A 28 18.348 -0.116 4.644 1.00 0.00 C ATOM 0 H TRP A 28 11.711 -2.440 2.363 1.00 0.00 H new ATOM 0 HA TRP A 28 14.638 -3.130 2.541 1.00 0.00 H new ATOM 0 HB2 TRP A 28 12.584 -2.711 4.751 1.00 0.00 H new ATOM 0 HB3 TRP A 28 14.100 -3.554 5.000 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.642 -0.116 4.668 1.00 0.00 H new ATOM 0 HE1 TRP A 28 14.477 1.694 4.852 1.00 0.00 H new ATOM 0 HE3 TRP A 28 16.758 -3.119 4.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 17.361 1.788 4.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.036 -2.145 4.428 1.00 0.00 H new ATOM 0 HH2 TRP A 28 19.343 0.302 4.683 1.00 0.00 H new ATOM 472 N GLU A 29 13.779 -5.408 1.921 1.00 0.00 N ATOM 473 CA GLU A 29 13.366 -6.822 1.685 1.00 0.00 C ATOM 474 C GLU A 29 13.579 -7.663 2.946 1.00 0.00 C ATOM 475 O GLU A 29 14.463 -7.401 3.735 1.00 0.00 O ATOM 476 CB GLU A 29 14.197 -7.409 0.536 1.00 0.00 C ATOM 477 CG GLU A 29 15.697 -7.193 0.795 1.00 0.00 C ATOM 478 CD GLU A 29 16.101 -5.767 0.405 1.00 0.00 C ATOM 479 OE1 GLU A 29 15.585 -5.273 -0.583 1.00 0.00 O ATOM 480 OE2 GLU A 29 16.922 -5.193 1.103 1.00 0.00 O ATOM 0 H GLU A 29 14.583 -5.100 1.375 1.00 0.00 H new ATOM 0 HA GLU A 29 12.307 -6.840 1.427 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.989 -8.474 0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.912 -6.938 -0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.921 -7.367 1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.280 -7.914 0.222 1.00 0.00 H new ATOM 487 N ASN A 30 12.783 -8.690 3.136 1.00 0.00 N ATOM 488 CA ASN A 30 12.958 -9.558 4.339 1.00 0.00 C ATOM 489 C ASN A 30 12.631 -11.005 3.967 1.00 0.00 C ATOM 490 O ASN A 30 11.606 -11.296 3.382 1.00 0.00 O ATOM 491 CB ASN A 30 12.047 -9.076 5.476 1.00 0.00 C ATOM 492 CG ASN A 30 10.584 -9.038 5.022 1.00 0.00 C ATOM 493 OD1 ASN A 30 9.959 -10.153 4.758 1.00 0.00 O flip ATOM 494 ND2 ASN A 30 10.000 -7.979 4.918 1.00 0.00 N flip ATOM 0 H ASN A 30 12.024 -8.961 2.511 1.00 0.00 H new ATOM 0 HA ASN A 30 13.991 -9.501 4.683 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.149 -9.739 6.335 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.358 -8.083 5.801 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.486 -7.106 5.124 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.023 -7.962 4.625 1.00 0.00 H new ATOM 501 N THR A 31 13.517 -11.913 4.284 1.00 0.00 N ATOM 502 CA THR A 31 13.293 -13.348 3.939 1.00 0.00 C ATOM 503 C THR A 31 12.675 -14.071 5.135 1.00 0.00 C ATOM 504 O THR A 31 13.371 -14.641 5.952 1.00 0.00 O ATOM 505 CB THR A 31 14.642 -13.986 3.596 1.00 0.00 C ATOM 506 OG1 THR A 31 15.252 -13.253 2.543 1.00 0.00 O ATOM 507 CG2 THR A 31 14.438 -15.435 3.154 1.00 0.00 C ATOM 0 H THR A 31 14.392 -11.720 4.771 1.00 0.00 H new ATOM 0 HA THR A 31 12.617 -13.425 3.087 1.00 0.00 H new ATOM 0 HB THR A 31 15.282 -13.969 4.478 1.00 0.00 H new ATOM 0 HG1 THR A 31 16.117 -13.657 2.321 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.403 -15.881 2.912 1.00 0.00 H new ATOM 0 HG22 THR A 31 13.970 -15.999 3.961 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.796 -15.460 2.274 1.00 0.00 H new ATOM 515 N HIS A 32 11.370 -14.051 5.243 1.00 0.00 N ATOM 516 CA HIS A 32 10.683 -14.733 6.380 1.00 0.00 C ATOM 517 C HIS A 32 9.540 -15.590 5.835 1.00 0.00 C ATOM 518 O HIS A 32 9.081 -15.403 4.726 1.00 0.00 O ATOM 519 CB HIS A 32 10.123 -13.678 7.327 1.00 0.00 C ATOM 520 CG HIS A 32 11.262 -12.945 7.977 1.00 0.00 C ATOM 521 ND1 HIS A 32 11.905 -11.883 7.362 1.00 0.00 N ATOM 522 CD2 HIS A 32 11.894 -13.115 9.185 1.00 0.00 C ATOM 523 CE1 HIS A 32 12.874 -11.459 8.193 1.00 0.00 C ATOM 524 NE2 HIS A 32 12.912 -12.176 9.319 1.00 0.00 N ATOM 0 H HIS A 32 10.746 -13.586 4.584 1.00 0.00 H new ATOM 0 HA HIS A 32 11.389 -15.367 6.916 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.490 -12.979 6.780 1.00 0.00 H new ATOM 0 HB3 HIS A 32 9.497 -14.148 8.085 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.639 -13.864 9.920 1.00 0.00 H new ATOM 0 HE1 HIS A 32 13.541 -10.638 7.976 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.549 -12.060 10.107 1.00 0.00 H new ATOM 532 N GLU A 33 9.089 -16.536 6.606 1.00 0.00 N ATOM 533 CA GLU A 33 7.988 -17.426 6.148 1.00 0.00 C ATOM 534 C GLU A 33 6.687 -16.633 5.989 1.00 0.00 C ATOM 535 O GLU A 33 5.898 -16.898 5.104 1.00 0.00 O ATOM 536 CB GLU A 33 7.791 -18.527 7.190 1.00 0.00 C ATOM 537 CG GLU A 33 9.009 -19.453 7.182 1.00 0.00 C ATOM 538 CD GLU A 33 8.872 -20.492 8.296 1.00 0.00 C ATOM 539 OE1 GLU A 33 7.886 -20.436 9.013 1.00 0.00 O ATOM 540 OE2 GLU A 33 9.755 -21.325 8.413 1.00 0.00 O ATOM 0 H GLU A 33 9.439 -16.733 7.543 1.00 0.00 H new ATOM 0 HA GLU A 33 8.248 -17.858 5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.659 -18.088 8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.887 -19.094 6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.094 -19.950 6.216 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.921 -18.872 7.323 1.00 0.00 H new ATOM 547 N SER A 34 6.446 -15.677 6.848 1.00 0.00 N ATOM 548 CA SER A 34 5.185 -14.878 6.759 1.00 0.00 C ATOM 549 C SER A 34 5.455 -13.526 6.096 1.00 0.00 C ATOM 550 O SER A 34 4.793 -13.146 5.152 1.00 0.00 O ATOM 551 CB SER A 34 4.652 -14.637 8.171 1.00 0.00 C ATOM 552 OG SER A 34 3.360 -14.052 8.092 1.00 0.00 O ATOM 0 H SER A 34 7.070 -15.413 7.611 1.00 0.00 H new ATOM 0 HA SER A 34 4.457 -15.428 6.162 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.605 -15.578 8.720 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.328 -13.981 8.720 1.00 0.00 H new ATOM 0 HG SER A 34 3.408 -13.222 7.573 1.00 0.00 H new ATOM 558 N ILE A 35 6.398 -12.784 6.600 1.00 0.00 N ATOM 559 CA ILE A 35 6.681 -11.440 6.021 1.00 0.00 C ATOM 560 C ILE A 35 7.505 -11.580 4.737 1.00 0.00 C ATOM 561 O ILE A 35 8.490 -12.290 4.689 1.00 0.00 O ATOM 562 CB ILE A 35 7.454 -10.593 7.040 1.00 0.00 C ATOM 563 CG1 ILE A 35 6.735 -10.635 8.397 1.00 0.00 C ATOM 564 CG2 ILE A 35 7.517 -9.141 6.554 1.00 0.00 C ATOM 565 CD1 ILE A 35 7.668 -10.110 9.486 1.00 0.00 C ATOM 0 H ILE A 35 6.987 -13.049 7.389 1.00 0.00 H new ATOM 0 HA ILE A 35 5.736 -10.951 5.783 1.00 0.00 H new ATOM 0 HB ILE A 35 8.463 -10.992 7.146 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.828 -10.031 8.359 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.429 -11.656 8.627 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.066 -8.539 7.278 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.024 -9.102 5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.506 -8.748 6.448 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.157 -10.140 10.448 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.562 -10.732 9.530 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.952 -9.083 9.258 1.00 0.00 H new ATOM 577 N SER A 36 7.098 -10.900 3.696 1.00 0.00 N ATOM 578 CA SER A 36 7.832 -10.967 2.397 1.00 0.00 C ATOM 579 C SER A 36 8.746 -9.745 2.269 1.00 0.00 C ATOM 580 O SER A 36 9.952 -9.860 2.166 1.00 0.00 O ATOM 581 CB SER A 36 6.815 -10.956 1.259 1.00 0.00 C ATOM 582 OG SER A 36 7.455 -11.334 0.048 1.00 0.00 O ATOM 0 H SER A 36 6.278 -10.294 3.691 1.00 0.00 H new ATOM 0 HA SER A 36 8.432 -11.876 2.354 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.998 -11.643 1.481 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.378 -9.963 1.157 1.00 0.00 H new ATOM 0 HG SER A 36 6.802 -11.329 -0.683 1.00 0.00 H new ATOM 588 N GLN A 37 8.175 -8.570 2.273 1.00 0.00 N ATOM 589 CA GLN A 37 9.003 -7.335 2.151 1.00 0.00 C ATOM 590 C GLN A 37 8.315 -6.184 2.881 1.00 0.00 C ATOM 591 O GLN A 37 7.104 -6.137 2.972 1.00 0.00 O ATOM 592 CB GLN A 37 9.161 -6.973 0.668 1.00 0.00 C ATOM 593 CG GLN A 37 10.005 -5.678 0.514 1.00 0.00 C ATOM 594 CD GLN A 37 9.110 -4.501 0.110 1.00 0.00 C ATOM 595 OE1 GLN A 37 8.279 -4.063 0.879 1.00 0.00 O ATOM 596 NE2 GLN A 37 9.252 -3.971 -1.072 1.00 0.00 N ATOM 0 H GLN A 37 7.171 -8.412 2.356 1.00 0.00 H new ATOM 0 HA GLN A 37 9.984 -7.511 2.593 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.642 -7.794 0.136 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.180 -6.831 0.215 1.00 0.00 H new ATOM 0 HG2 GLN A 37 10.511 -5.453 1.453 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.780 -5.829 -0.238 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.951 -4.341 -1.716 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.664 -3.186 -1.353 1.00 0.00 H new ATOM 605 N VAL A 38 9.078 -5.249 3.396 1.00 0.00 N ATOM 606 CA VAL A 38 8.470 -4.088 4.120 1.00 0.00 C ATOM 607 C VAL A 38 9.150 -2.793 3.682 1.00 0.00 C ATOM 608 O VAL A 38 10.245 -2.800 3.156 1.00 0.00 O ATOM 609 CB VAL A 38 8.659 -4.275 5.625 1.00 0.00 C ATOM 610 CG1 VAL A 38 7.906 -5.524 6.077 1.00 0.00 C ATOM 611 CG2 VAL A 38 10.147 -4.441 5.947 1.00 0.00 C ATOM 0 H VAL A 38 10.097 -5.240 3.346 1.00 0.00 H new ATOM 0 HA VAL A 38 7.407 -4.034 3.886 1.00 0.00 H new ATOM 0 HB VAL A 38 8.273 -3.399 6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.039 -5.660 7.150 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.845 -5.410 5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.296 -6.395 5.550 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.274 -4.574 7.021 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.537 -5.315 5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.690 -3.553 5.624 1.00 0.00 H new ATOM 621 N GLY A 39 8.506 -1.678 3.895 1.00 0.00 N ATOM 622 CA GLY A 39 9.122 -0.382 3.490 1.00 0.00 C ATOM 623 C GLY A 39 8.163 0.763 3.812 1.00 0.00 C ATOM 624 O GLY A 39 7.198 0.582 4.527 1.00 0.00 O ATOM 0 H GLY A 39 7.586 -1.608 4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.067 -0.237 4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.347 -0.392 2.424 1.00 0.00 H new ATOM 628 N LEU A 40 8.419 1.944 3.292 1.00 0.00 N ATOM 629 CA LEU A 40 7.512 3.104 3.570 1.00 0.00 C ATOM 630 C LEU A 40 7.188 3.832 2.271 1.00 0.00 C ATOM 631 O LEU A 40 7.976 3.859 1.346 1.00 0.00 O ATOM 632 CB LEU A 40 8.179 4.069 4.565 1.00 0.00 C ATOM 633 CG LEU A 40 9.591 4.472 4.068 1.00 0.00 C ATOM 634 CD1 LEU A 40 9.904 5.911 4.494 1.00 0.00 C ATOM 635 CD2 LEU A 40 10.652 3.539 4.670 1.00 0.00 C ATOM 0 H LEU A 40 9.215 2.152 2.689 1.00 0.00 H new ATOM 0 HA LEU A 40 6.586 2.733 4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.562 4.959 4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.253 3.597 5.545 1.00 0.00 H new ATOM 0 HG LEU A 40 9.608 4.394 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.898 6.187 4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.165 6.587 4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.872 5.984 5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.639 3.833 4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.623 3.609 5.757 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.447 2.512 4.367 1.00 0.00 H new ATOM 647 N LEU A 41 6.012 4.409 2.192 1.00 0.00 N ATOM 648 CA LEU A 41 5.592 5.128 0.953 1.00 0.00 C ATOM 649 C LEU A 41 5.507 6.624 1.243 1.00 0.00 C ATOM 650 O LEU A 41 4.915 7.048 2.219 1.00 0.00 O ATOM 651 CB LEU A 41 4.217 4.616 0.531 1.00 0.00 C ATOM 652 CG LEU A 41 4.234 3.087 0.465 1.00 0.00 C ATOM 653 CD1 LEU A 41 2.839 2.581 0.095 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.241 2.617 -0.592 1.00 0.00 C ATOM 0 H LEU A 41 5.321 4.411 2.942 1.00 0.00 H new ATOM 0 HA LEU A 41 6.315 4.953 0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.460 4.951 1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.947 5.029 -0.441 1.00 0.00 H new ATOM 0 HG LEU A 41 4.526 2.691 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.848 1.492 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.122 2.905 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.551 2.985 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.246 1.528 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.957 3.014 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.237 2.975 -0.330 1.00 0.00 H new ATOM 666 N GLY A 42 6.109 7.426 0.404 1.00 0.00 N ATOM 667 CA GLY A 42 6.090 8.904 0.617 1.00 0.00 C ATOM 668 C GLY A 42 4.995 9.557 -0.229 1.00 0.00 C ATOM 669 O GLY A 42 4.683 9.113 -1.316 1.00 0.00 O ATOM 0 H GLY A 42 6.617 7.118 -0.426 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.921 9.123 1.671 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.060 9.327 0.355 1.00 0.00 H new ATOM 673 N ASP A 43 4.430 10.626 0.263 1.00 0.00 N ATOM 674 CA ASP A 43 3.372 11.342 -0.502 1.00 0.00 C ATOM 675 C ASP A 43 3.017 12.639 0.234 1.00 0.00 C ATOM 676 O ASP A 43 3.390 12.841 1.371 1.00 0.00 O ATOM 677 CB ASP A 43 2.124 10.461 -0.638 1.00 0.00 C ATOM 678 CG ASP A 43 1.575 10.112 0.745 1.00 0.00 C ATOM 679 OD1 ASP A 43 1.999 10.731 1.705 1.00 0.00 O ATOM 680 OD2 ASP A 43 0.734 9.231 0.820 1.00 0.00 O ATOM 0 H ASP A 43 4.658 11.036 1.169 1.00 0.00 H new ATOM 0 HA ASP A 43 3.742 11.573 -1.501 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.363 10.982 -1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.371 9.549 -1.181 1.00 0.00 H new ATOM 685 N GLU A 44 2.310 13.521 -0.414 1.00 0.00 N ATOM 686 CA GLU A 44 1.939 14.812 0.232 1.00 0.00 C ATOM 687 C GLU A 44 1.078 14.550 1.470 1.00 0.00 C ATOM 688 O GLU A 44 0.909 15.409 2.312 1.00 0.00 O ATOM 689 CB GLU A 44 1.159 15.663 -0.770 1.00 0.00 C ATOM 690 CG GLU A 44 0.875 17.042 -0.170 1.00 0.00 C ATOM 691 CD GLU A 44 0.222 17.936 -1.226 1.00 0.00 C ATOM 692 OE1 GLU A 44 0.290 17.588 -2.394 1.00 0.00 O ATOM 693 OE2 GLU A 44 -0.329 18.958 -0.850 1.00 0.00 O ATOM 0 H GLU A 44 1.971 13.403 -1.369 1.00 0.00 H new ATOM 0 HA GLU A 44 2.842 15.339 0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.729 15.768 -1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.222 15.169 -1.029 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.219 16.945 0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.802 17.495 0.182 1.00 0.00 H new ATOM 700 N THR A 45 0.529 13.372 1.593 1.00 0.00 N ATOM 701 CA THR A 45 -0.320 13.069 2.779 1.00 0.00 C ATOM 702 C THR A 45 0.572 12.605 3.931 1.00 0.00 C ATOM 703 O THR A 45 0.099 12.311 5.010 1.00 0.00 O ATOM 704 CB THR A 45 -1.319 11.970 2.421 1.00 0.00 C ATOM 705 OG1 THR A 45 -0.614 10.797 2.043 1.00 0.00 O ATOM 706 CG2 THR A 45 -2.192 12.441 1.258 1.00 0.00 C ATOM 0 H THR A 45 0.632 12.608 0.925 1.00 0.00 H new ATOM 0 HA THR A 45 -0.865 13.963 3.081 1.00 0.00 H new ATOM 0 HB THR A 45 -1.949 11.751 3.283 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.145 10.291 1.393 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.906 11.659 0.999 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.730 13.343 1.549 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.563 12.657 0.395 1.00 0.00 H new ATOM 714 N GLY A 46 1.866 12.555 3.709 1.00 0.00 N ATOM 715 CA GLY A 46 2.815 12.133 4.790 1.00 0.00 C ATOM 716 C GLY A 46 3.521 10.837 4.397 1.00 0.00 C ATOM 717 O GLY A 46 3.783 10.584 3.238 1.00 0.00 O ATOM 0 H GLY A 46 2.307 12.790 2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.551 12.918 4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.273 11.991 5.725 1.00 0.00 H new ATOM 721 N ILE A 47 3.842 10.019 5.367 1.00 0.00 N ATOM 722 CA ILE A 47 4.547 8.731 5.087 1.00 0.00 C ATOM 723 C ILE A 47 3.856 7.599 5.839 1.00 0.00 C ATOM 724 O ILE A 47 3.482 7.744 6.985 1.00 0.00 O ATOM 725 CB ILE A 47 5.996 8.838 5.559 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.712 9.912 4.738 1.00 0.00 C ATOM 727 CG2 ILE A 47 6.695 7.493 5.361 1.00 0.00 C ATOM 728 CD1 ILE A 47 8.079 10.209 5.352 1.00 0.00 C ATOM 0 H ILE A 47 3.643 10.191 6.353 1.00 0.00 H new ATOM 0 HA ILE A 47 4.521 8.526 4.017 1.00 0.00 H new ATOM 0 HB ILE A 47 6.021 9.106 6.615 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.831 9.576 3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.111 10.821 4.709 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.729 7.567 5.697 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.180 6.726 5.940 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.675 7.225 4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.584 10.975 4.763 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.949 10.565 6.374 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.681 9.300 5.358 1.00 0.00 H new ATOM 740 N ILE A 48 3.683 6.469 5.199 1.00 0.00 N ATOM 741 CA ILE A 48 3.015 5.312 5.872 1.00 0.00 C ATOM 742 C ILE A 48 3.801 4.030 5.595 1.00 0.00 C ATOM 743 O ILE A 48 4.304 3.816 4.510 1.00 0.00 O ATOM 744 CB ILE A 48 1.590 5.167 5.341 1.00 0.00 C ATOM 745 CG1 ILE A 48 0.879 4.054 6.112 1.00 0.00 C ATOM 746 CG2 ILE A 48 1.623 4.817 3.853 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.616 4.081 5.791 1.00 0.00 C ATOM 0 H ILE A 48 3.976 6.298 4.237 1.00 0.00 H new ATOM 0 HA ILE A 48 2.985 5.488 6.947 1.00 0.00 H new ATOM 0 HB ILE A 48 1.056 6.108 5.474 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.301 3.085 5.844 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.034 4.184 7.183 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.604 4.715 3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.132 5.609 3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.157 3.877 3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.121 3.287 6.341 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.033 5.045 6.081 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.761 3.930 4.721 1.00 0.00 H new ATOM 759 N LYS A 49 3.915 3.179 6.580 1.00 0.00 N ATOM 760 CA LYS A 49 4.668 1.907 6.397 1.00 0.00 C ATOM 761 C LYS A 49 3.761 0.861 5.757 1.00 0.00 C ATOM 762 O LYS A 49 2.554 0.922 5.877 1.00 0.00 O ATOM 763 CB LYS A 49 5.151 1.410 7.765 1.00 0.00 C ATOM 764 CG LYS A 49 6.459 2.119 8.130 1.00 0.00 C ATOM 765 CD LYS A 49 6.822 1.827 9.588 1.00 0.00 C ATOM 766 CE LYS A 49 7.220 0.355 9.764 1.00 0.00 C ATOM 767 NZ LYS A 49 8.215 -0.026 8.722 1.00 0.00 N ATOM 0 H LYS A 49 3.516 3.313 7.509 1.00 0.00 H new ATOM 0 HA LYS A 49 5.526 2.077 5.747 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.394 1.607 8.524 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.304 0.331 7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.261 1.783 7.472 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.354 3.194 7.981 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.645 2.471 9.899 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.974 2.059 10.233 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.641 0.199 10.757 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.338 -0.281 9.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.831 -0.779 9.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.717 -0.367 7.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.792 0.803 8.474 1.00 0.00 H new ATOM 781 N PHE A 50 4.331 -0.106 5.076 1.00 0.00 N ATOM 782 CA PHE A 50 3.490 -1.156 4.432 1.00 0.00 C ATOM 783 C PHE A 50 4.178 -2.514 4.554 1.00 0.00 C ATOM 784 O PHE A 50 5.394 -2.611 4.619 1.00 0.00 O ATOM 785 CB PHE A 50 3.275 -0.816 2.953 1.00 0.00 C ATOM 786 CG PHE A 50 4.549 -1.028 2.159 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.531 -0.029 2.111 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.735 -2.225 1.456 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.699 -0.233 1.361 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.899 -2.426 0.707 1.00 0.00 C ATOM 791 CZ PHE A 50 6.881 -1.430 0.658 1.00 0.00 C ATOM 0 H PHE A 50 5.337 -0.210 4.941 1.00 0.00 H new ATOM 0 HA PHE A 50 2.523 -1.197 4.933 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.479 -1.439 2.544 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.950 0.220 2.857 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.389 0.896 2.650 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.978 -2.994 1.492 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.458 0.534 1.326 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.040 -3.350 0.166 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.779 -1.585 0.078 1.00 0.00 H new ATOM 801 N THR A 51 3.393 -3.562 4.578 1.00 0.00 N ATOM 802 CA THR A 51 3.946 -4.942 4.688 1.00 0.00 C ATOM 803 C THR A 51 3.287 -5.822 3.630 1.00 0.00 C ATOM 804 O THR A 51 2.081 -5.833 3.485 1.00 0.00 O ATOM 805 CB THR A 51 3.651 -5.495 6.084 1.00 0.00 C ATOM 806 OG1 THR A 51 4.343 -4.717 7.052 1.00 0.00 O ATOM 807 CG2 THR A 51 4.106 -6.951 6.170 1.00 0.00 C ATOM 0 H THR A 51 2.375 -3.516 4.525 1.00 0.00 H new ATOM 0 HA THR A 51 5.025 -4.929 4.531 1.00 0.00 H new ATOM 0 HB THR A 51 2.579 -5.446 6.276 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.979 -3.807 7.061 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.894 -7.340 7.166 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.572 -7.544 5.427 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.177 -7.009 5.978 1.00 0.00 H new ATOM 815 N ILE A 52 4.070 -6.554 2.880 1.00 0.00 N ATOM 816 CA ILE A 52 3.496 -7.429 1.812 1.00 0.00 C ATOM 817 C ILE A 52 3.477 -8.883 2.274 1.00 0.00 C ATOM 818 O ILE A 52 4.490 -9.446 2.639 1.00 0.00 O ATOM 819 CB ILE A 52 4.353 -7.304 0.556 1.00 0.00 C ATOM 820 CG1 ILE A 52 4.327 -5.850 0.078 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.796 -8.217 -0.537 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.369 -5.646 -1.023 1.00 0.00 C ATOM 0 H ILE A 52 5.086 -6.584 2.961 1.00 0.00 H new ATOM 0 HA ILE A 52 2.474 -7.116 1.600 1.00 0.00 H new ATOM 0 HB ILE A 52 5.379 -7.599 0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.335 -5.599 -0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.531 -5.180 0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.409 -8.127 -1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.810 -9.250 -0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.771 -7.926 -0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.345 -4.609 -1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.360 -5.879 -0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.145 -6.304 -1.862 1.00 0.00 H new ATOM 834 N TRP A 53 2.323 -9.500 2.254 1.00 0.00 N ATOM 835 CA TRP A 53 2.227 -10.922 2.684 1.00 0.00 C ATOM 836 C TRP A 53 2.373 -11.823 1.456 1.00 0.00 C ATOM 837 O TRP A 53 1.729 -11.621 0.446 1.00 0.00 O ATOM 838 CB TRP A 53 0.864 -11.153 3.339 1.00 0.00 C ATOM 839 CG TRP A 53 0.729 -10.242 4.518 1.00 0.00 C ATOM 840 CD1 TRP A 53 -0.122 -9.191 4.594 1.00 0.00 C ATOM 841 CD2 TRP A 53 1.458 -10.267 5.779 1.00 0.00 C ATOM 842 NE1 TRP A 53 0.032 -8.579 5.825 1.00 0.00 N ATOM 843 CE2 TRP A 53 0.995 -9.204 6.591 1.00 0.00 C ATOM 844 CE3 TRP A 53 2.464 -11.104 6.296 1.00 0.00 C ATOM 845 CZ2 TRP A 53 1.513 -8.978 7.867 1.00 0.00 C ATOM 846 CZ3 TRP A 53 2.988 -10.880 7.580 1.00 0.00 C ATOM 847 CH2 TRP A 53 2.513 -9.820 8.364 1.00 0.00 C ATOM 0 H TRP A 53 1.443 -9.077 1.957 1.00 0.00 H new ATOM 0 HA TRP A 53 3.016 -11.154 3.400 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.065 -10.962 2.623 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.769 -12.192 3.654 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.809 -8.881 3.820 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.501 -7.765 6.130 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.836 -11.925 5.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.144 -8.159 8.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.761 -11.528 7.965 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.919 -9.653 9.351 1.00 0.00 H new ATOM 858 N LYS A 54 3.219 -12.813 1.532 1.00 0.00 N ATOM 859 CA LYS A 54 3.413 -13.722 0.368 1.00 0.00 C ATOM 860 C LYS A 54 2.314 -14.788 0.359 1.00 0.00 C ATOM 861 O LYS A 54 2.579 -15.973 0.334 1.00 0.00 O ATOM 862 CB LYS A 54 4.793 -14.378 0.467 1.00 0.00 C ATOM 863 CG LYS A 54 4.986 -14.983 1.862 1.00 0.00 C ATOM 864 CD LYS A 54 6.245 -15.861 1.884 1.00 0.00 C ATOM 865 CE LYS A 54 7.500 -14.992 1.749 1.00 0.00 C ATOM 866 NZ LYS A 54 8.709 -15.813 2.045 1.00 0.00 N ATOM 0 H LYS A 54 3.785 -13.032 2.352 1.00 0.00 H new ATOM 0 HA LYS A 54 3.354 -13.154 -0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.891 -15.154 -0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.571 -13.640 0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.074 -14.188 2.603 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.113 -15.577 2.134 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.285 -16.428 2.814 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.206 -16.585 1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.564 -14.582 0.741 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.445 -14.146 2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.541 -15.380 1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.855 -15.858 3.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.575 -16.775 1.672 1.00 0.00 H new ATOM 880 N ASN A 55 1.077 -14.365 0.367 1.00 0.00 N ATOM 881 CA ASN A 55 -0.049 -15.336 0.348 1.00 0.00 C ATOM 882 C ASN A 55 -0.195 -15.896 -1.069 1.00 0.00 C ATOM 883 O ASN A 55 -1.015 -16.752 -1.332 1.00 0.00 O ATOM 884 CB ASN A 55 -1.339 -14.616 0.747 1.00 0.00 C ATOM 885 CG ASN A 55 -1.244 -14.159 2.206 1.00 0.00 C ATOM 886 OD1 ASN A 55 -0.682 -14.848 3.034 1.00 0.00 O ATOM 887 ND2 ASN A 55 -1.769 -13.016 2.554 1.00 0.00 N ATOM 0 H ASN A 55 0.800 -13.383 0.386 1.00 0.00 H new ATOM 0 HA ASN A 55 0.145 -16.149 1.048 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.504 -13.757 0.097 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.193 -15.281 0.619 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.708 -12.700 3.522 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.241 -12.438 1.858 1.00 0.00 H new ATOM 894 N ALA A 56 0.602 -15.411 -1.987 1.00 0.00 N ATOM 895 CA ALA A 56 0.525 -15.902 -3.393 1.00 0.00 C ATOM 896 C ALA A 56 1.901 -15.775 -4.047 1.00 0.00 C ATOM 897 O ALA A 56 2.721 -16.666 -3.972 1.00 0.00 O ATOM 898 CB ALA A 56 -0.488 -15.062 -4.176 1.00 0.00 C ATOM 0 H ALA A 56 1.306 -14.692 -1.820 1.00 0.00 H new ATOM 0 HA ALA A 56 0.210 -16.945 -3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.543 -15.422 -5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.469 -15.147 -3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.174 -14.018 -4.174 1.00 0.00 H new ATOM 904 N GLU A 57 2.157 -14.666 -4.685 1.00 0.00 N ATOM 905 CA GLU A 57 3.473 -14.455 -5.349 1.00 0.00 C ATOM 906 C GLU A 57 3.466 -13.077 -6.013 1.00 0.00 C ATOM 907 O GLU A 57 3.421 -12.959 -7.221 1.00 0.00 O ATOM 908 CB GLU A 57 3.721 -15.544 -6.406 1.00 0.00 C ATOM 909 CG GLU A 57 2.455 -15.783 -7.237 1.00 0.00 C ATOM 910 CD GLU A 57 2.741 -16.846 -8.299 1.00 0.00 C ATOM 911 OE1 GLU A 57 3.854 -16.874 -8.797 1.00 0.00 O ATOM 912 OE2 GLU A 57 1.844 -17.620 -8.591 1.00 0.00 O ATOM 0 H GLU A 57 1.503 -13.889 -4.775 1.00 0.00 H new ATOM 0 HA GLU A 57 4.270 -14.511 -4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.541 -15.245 -7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.023 -16.471 -5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.638 -16.107 -6.592 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.137 -14.855 -7.711 1.00 0.00 H new ATOM 919 N LEU A 58 3.496 -12.030 -5.231 1.00 0.00 N ATOM 920 CA LEU A 58 3.471 -10.658 -5.815 1.00 0.00 C ATOM 921 C LEU A 58 4.904 -10.194 -6.129 1.00 0.00 C ATOM 922 O LEU A 58 5.835 -10.536 -5.424 1.00 0.00 O ATOM 923 CB LEU A 58 2.834 -9.697 -4.807 1.00 0.00 C ATOM 924 CG LEU A 58 1.552 -10.317 -4.242 1.00 0.00 C ATOM 925 CD1 LEU A 58 0.825 -9.288 -3.372 1.00 0.00 C ATOM 926 CD2 LEU A 58 0.634 -10.751 -5.393 1.00 0.00 C ATOM 0 H LEU A 58 3.537 -12.067 -4.212 1.00 0.00 H new ATOM 0 HA LEU A 58 2.891 -10.668 -6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.534 -9.486 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.608 -8.746 -5.289 1.00 0.00 H new ATOM 0 HG LEU A 58 1.811 -11.187 -3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.087 -9.730 -2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.473 -8.984 -2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.571 -8.416 -3.975 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.276 -11.191 -4.986 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.377 -9.883 -6.001 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.148 -11.487 -6.011 1.00 0.00 H new ATOM 938 N PRO A 59 5.085 -9.420 -7.179 1.00 0.00 N ATOM 939 CA PRO A 59 6.433 -8.907 -7.582 1.00 0.00 C ATOM 940 C PRO A 59 6.971 -7.833 -6.624 1.00 0.00 C ATOM 941 O PRO A 59 6.225 -7.161 -5.941 1.00 0.00 O ATOM 942 CB PRO A 59 6.191 -8.329 -8.984 1.00 0.00 C ATOM 943 CG PRO A 59 4.754 -7.923 -8.983 1.00 0.00 C ATOM 944 CD PRO A 59 4.034 -8.945 -8.101 1.00 0.00 C ATOM 0 HA PRO A 59 7.190 -9.691 -7.560 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.843 -7.478 -9.179 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.393 -9.069 -9.758 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.633 -6.913 -8.591 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.347 -7.923 -9.994 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.203 -8.491 -7.560 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.621 -9.763 -8.692 1.00 0.00 H new ATOM 952 N LEU A 60 8.267 -7.677 -6.572 1.00 0.00 N ATOM 953 CA LEU A 60 8.860 -6.659 -5.662 1.00 0.00 C ATOM 954 C LEU A 60 8.685 -5.261 -6.258 1.00 0.00 C ATOM 955 O LEU A 60 8.787 -5.062 -7.452 1.00 0.00 O ATOM 956 CB LEU A 60 10.346 -6.958 -5.467 1.00 0.00 C ATOM 957 CG LEU A 60 10.517 -8.385 -4.928 1.00 0.00 C ATOM 958 CD1 LEU A 60 12.008 -8.689 -4.767 1.00 0.00 C ATOM 959 CD2 LEU A 60 9.810 -8.526 -3.567 1.00 0.00 C ATOM 0 H LEU A 60 8.940 -8.212 -7.121 1.00 0.00 H new ATOM 0 HA LEU A 60 8.353 -6.697 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.876 -6.850 -6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.784 -6.241 -4.772 1.00 0.00 H new ATOM 0 HG LEU A 60 10.072 -9.090 -5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.134 -9.702 -4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.503 -8.602 -5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.451 -7.980 -4.068 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.938 -9.542 -3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.244 -7.822 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.747 -8.314 -3.685 1.00 0.00 H new ATOM 971 N LEU A 61 8.407 -4.298 -5.425 1.00 0.00 N ATOM 972 CA LEU A 61 8.201 -2.908 -5.915 1.00 0.00 C ATOM 973 C LEU A 61 9.550 -2.211 -6.118 1.00 0.00 C ATOM 974 O LEU A 61 10.499 -2.442 -5.395 1.00 0.00 O ATOM 975 CB LEU A 61 7.370 -2.143 -4.884 1.00 0.00 C ATOM 976 CG LEU A 61 5.899 -2.552 -5.010 1.00 0.00 C ATOM 977 CD1 LEU A 61 5.746 -4.045 -4.682 1.00 0.00 C ATOM 978 CD2 LEU A 61 5.058 -1.720 -4.040 1.00 0.00 C ATOM 0 H LEU A 61 8.313 -4.416 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 61 7.679 -2.931 -6.871 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.733 -2.355 -3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.475 -1.069 -5.041 1.00 0.00 H new ATOM 0 HG LEU A 61 5.558 -2.375 -6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.698 -4.332 -4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.345 -4.633 -5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.086 -4.230 -3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.010 -2.008 -4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.399 -1.896 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.164 -0.662 -4.281 1.00 0.00 H new ATOM 990 N GLU A 62 9.639 -1.361 -7.110 1.00 0.00 N ATOM 991 CA GLU A 62 10.919 -0.645 -7.388 1.00 0.00 C ATOM 992 C GLU A 62 10.927 0.707 -6.670 1.00 0.00 C ATOM 993 O GLU A 62 9.910 1.355 -6.520 1.00 0.00 O ATOM 994 CB GLU A 62 11.054 -0.431 -8.895 1.00 0.00 C ATOM 995 CG GLU A 62 11.217 -1.785 -9.606 1.00 0.00 C ATOM 996 CD GLU A 62 9.847 -2.448 -9.793 1.00 0.00 C ATOM 997 OE1 GLU A 62 8.869 -1.898 -9.313 1.00 0.00 O ATOM 998 OE2 GLU A 62 9.800 -3.488 -10.426 1.00 0.00 O ATOM 0 H GLU A 62 8.873 -1.132 -7.743 1.00 0.00 H new ATOM 0 HA GLU A 62 11.756 -1.241 -7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.174 0.086 -9.277 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.914 0.205 -9.105 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.696 -1.641 -10.575 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.868 -2.435 -9.022 1.00 0.00 H new ATOM 1005 N GLN A 63 12.075 1.119 -6.209 1.00 0.00 N ATOM 1006 CA GLN A 63 12.182 2.411 -5.476 1.00 0.00 C ATOM 1007 C GLN A 63 12.140 3.601 -6.441 1.00 0.00 C ATOM 1008 O GLN A 63 12.703 3.566 -7.517 1.00 0.00 O ATOM 1009 CB GLN A 63 13.504 2.434 -4.711 1.00 0.00 C ATOM 1010 CG GLN A 63 13.593 3.720 -3.890 1.00 0.00 C ATOM 1011 CD GLN A 63 14.836 3.676 -3.000 1.00 0.00 C ATOM 1012 OE1 GLN A 63 15.381 2.620 -2.750 1.00 0.00 O ATOM 1013 NE2 GLN A 63 15.309 4.788 -2.512 1.00 0.00 N ATOM 0 H GLN A 63 12.953 0.610 -6.310 1.00 0.00 H new ATOM 0 HA GLN A 63 11.338 2.495 -4.792 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.573 1.566 -4.056 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.341 2.375 -5.407 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.639 4.584 -4.553 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.699 3.835 -3.277 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.850 5.674 -2.723 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.139 4.772 -1.919 1.00 0.00 H new ATOM 1022 N GLY A 64 11.493 4.665 -6.039 1.00 0.00 N ATOM 1023 CA GLY A 64 11.424 5.877 -6.902 1.00 0.00 C ATOM 1024 C GLY A 64 10.324 5.718 -7.950 1.00 0.00 C ATOM 1025 O GLY A 64 10.339 6.377 -8.970 1.00 0.00 O ATOM 0 H GLY A 64 11.008 4.744 -5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.228 6.757 -6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.384 6.037 -7.393 1.00 0.00 H new ATOM 1029 N GLU A 65 9.370 4.847 -7.714 1.00 0.00 N ATOM 1030 CA GLU A 65 8.267 4.641 -8.708 1.00 0.00 C ATOM 1031 C GLU A 65 6.903 4.707 -8.020 1.00 0.00 C ATOM 1032 O GLU A 65 6.741 4.312 -6.878 1.00 0.00 O ATOM 1033 CB GLU A 65 8.442 3.277 -9.380 1.00 0.00 C ATOM 1034 CG GLU A 65 9.728 3.276 -10.213 1.00 0.00 C ATOM 1035 CD GLU A 65 9.602 4.281 -11.361 1.00 0.00 C ATOM 1036 OE1 GLU A 65 8.481 4.640 -11.688 1.00 0.00 O ATOM 1037 OE2 GLU A 65 10.626 4.678 -11.891 1.00 0.00 O ATOM 0 H GLU A 65 9.308 4.270 -6.875 1.00 0.00 H new ATOM 0 HA GLU A 65 8.314 5.431 -9.457 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.485 2.491 -8.626 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.584 3.061 -10.017 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.580 3.533 -9.584 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.915 2.278 -10.610 1.00 0.00 H new ATOM 1044 N SER A 66 5.923 5.215 -8.724 1.00 0.00 N ATOM 1045 CA SER A 66 4.554 5.329 -8.151 1.00 0.00 C ATOM 1046 C SER A 66 3.837 3.982 -8.238 1.00 0.00 C ATOM 1047 O SER A 66 4.096 3.179 -9.115 1.00 0.00 O ATOM 1048 CB SER A 66 3.768 6.377 -8.937 1.00 0.00 C ATOM 1049 OG SER A 66 3.939 6.143 -10.328 1.00 0.00 O ATOM 0 H SER A 66 6.017 5.558 -9.680 1.00 0.00 H new ATOM 0 HA SER A 66 4.624 5.626 -7.105 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.711 6.328 -8.675 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.114 7.378 -8.679 1.00 0.00 H new ATOM 0 HG SER A 66 3.435 6.812 -10.837 1.00 0.00 H new ATOM 1055 N TYR A 67 2.925 3.734 -7.335 1.00 0.00 N ATOM 1056 CA TYR A 67 2.178 2.445 -7.354 1.00 0.00 C ATOM 1057 C TYR A 67 0.742 2.682 -6.902 1.00 0.00 C ATOM 1058 O TYR A 67 0.478 3.510 -6.046 1.00 0.00 O ATOM 1059 CB TYR A 67 2.848 1.457 -6.403 1.00 0.00 C ATOM 1060 CG TYR A 67 4.211 1.105 -6.936 1.00 0.00 C ATOM 1061 CD1 TYR A 67 4.342 0.110 -7.910 1.00 0.00 C ATOM 1062 CD2 TYR A 67 5.344 1.771 -6.456 1.00 0.00 C ATOM 1063 CE1 TYR A 67 5.606 -0.220 -8.406 1.00 0.00 C ATOM 1064 CE2 TYR A 67 6.609 1.441 -6.952 1.00 0.00 C ATOM 1065 CZ TYR A 67 6.740 0.445 -7.928 1.00 0.00 C ATOM 1066 OH TYR A 67 7.986 0.117 -8.416 1.00 0.00 O ATOM 0 H TYR A 67 2.665 4.372 -6.583 1.00 0.00 H new ATOM 0 HA TYR A 67 2.180 2.040 -8.366 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.935 1.893 -5.408 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.239 0.558 -6.305 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.466 -0.403 -8.279 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.242 2.539 -5.703 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.707 -0.988 -9.158 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.485 1.954 -6.583 1.00 0.00 H new ATOM 0 HH TYR A 67 7.902 -0.618 -9.059 1.00 0.00 H new ATOM 1076 N LEU A 68 -0.184 1.948 -7.466 1.00 0.00 N ATOM 1077 CA LEU A 68 -1.620 2.095 -7.082 1.00 0.00 C ATOM 1078 C LEU A 68 -2.047 0.838 -6.321 1.00 0.00 C ATOM 1079 O LEU A 68 -1.950 -0.266 -6.823 1.00 0.00 O ATOM 1080 CB LEU A 68 -2.461 2.262 -8.360 1.00 0.00 C ATOM 1081 CG LEU A 68 -3.956 2.098 -8.057 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -4.383 3.089 -6.973 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -4.759 2.376 -9.331 1.00 0.00 C ATOM 0 H LEU A 68 -0.004 1.246 -8.184 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.766 2.969 -6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.280 3.245 -8.794 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.153 1.525 -9.102 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.141 1.082 -7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.446 2.965 -6.765 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.811 2.903 -6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.197 4.107 -7.317 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.823 2.261 -9.123 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.563 3.393 -9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.463 1.672 -10.108 1.00 0.00 H new ATOM 1095 N LEU A 69 -2.520 1.000 -5.114 1.00 0.00 N ATOM 1096 CA LEU A 69 -2.962 -0.174 -4.303 1.00 0.00 C ATOM 1097 C LEU A 69 -4.485 -0.271 -4.363 1.00 0.00 C ATOM 1098 O LEU A 69 -5.177 0.719 -4.229 1.00 0.00 O ATOM 1099 CB LEU A 69 -2.522 0.029 -2.854 1.00 0.00 C ATOM 1100 CG LEU A 69 -1.011 0.284 -2.806 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -0.584 0.527 -1.357 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -0.255 -0.930 -3.369 1.00 0.00 C ATOM 0 H LEU A 69 -2.620 1.903 -4.651 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.519 -1.090 -4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.057 0.871 -2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.772 -0.851 -2.261 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.775 1.160 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.490 0.709 -1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.113 1.395 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.825 -0.349 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.818 -0.740 -3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.489 -1.812 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.557 -1.100 -4.402 1.00 0.00 H new ATOM 1114 N ARG A 70 -5.011 -1.454 -4.578 1.00 0.00 N ATOM 1115 CA ARG A 70 -6.497 -1.624 -4.666 1.00 0.00 C ATOM 1116 C ARG A 70 -6.976 -2.706 -3.696 1.00 0.00 C ATOM 1117 O ARG A 70 -6.345 -3.730 -3.518 1.00 0.00 O ATOM 1118 CB ARG A 70 -6.866 -2.024 -6.094 1.00 0.00 C ATOM 1119 CG ARG A 70 -6.624 -0.835 -7.024 1.00 0.00 C ATOM 1120 CD ARG A 70 -6.850 -1.261 -8.476 1.00 0.00 C ATOM 1121 NE ARG A 70 -8.265 -1.690 -8.652 1.00 0.00 N ATOM 1122 CZ ARG A 70 -8.656 -2.223 -9.779 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -7.810 -2.375 -10.760 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -9.896 -2.603 -9.922 1.00 0.00 N ATOM 0 H ARG A 70 -4.473 -2.312 -4.697 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.978 -0.683 -4.400 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.268 -2.878 -6.412 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.911 -2.331 -6.141 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.296 -0.017 -6.766 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.607 -0.464 -6.898 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.623 -0.434 -9.149 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.176 -2.077 -8.736 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.932 -1.567 -7.890 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.841 -2.078 -10.648 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.118 -2.791 -11.639 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.558 -2.484 -9.155 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.204 -3.019 -10.801 1.00 0.00 H new ATOM 1138 N SER A 71 -8.104 -2.471 -3.077 1.00 0.00 N ATOM 1139 CA SER A 71 -8.677 -3.456 -2.116 1.00 0.00 C ATOM 1140 C SER A 71 -7.646 -3.825 -1.048 1.00 0.00 C ATOM 1141 O SER A 71 -7.133 -4.926 -1.025 1.00 0.00 O ATOM 1142 CB SER A 71 -9.121 -4.716 -2.862 1.00 0.00 C ATOM 1143 OG SER A 71 -9.583 -5.678 -1.923 1.00 0.00 O ATOM 0 H SER A 71 -8.660 -1.624 -3.200 1.00 0.00 H new ATOM 0 HA SER A 71 -9.540 -3.002 -1.629 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.913 -4.473 -3.571 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.290 -5.123 -3.439 1.00 0.00 H new ATOM 0 HG SER A 71 -8.856 -5.912 -1.309 1.00 0.00 H new ATOM 1149 N VAL A 72 -7.357 -2.913 -0.149 1.00 0.00 N ATOM 1150 CA VAL A 72 -6.375 -3.197 0.948 1.00 0.00 C ATOM 1151 C VAL A 72 -6.999 -2.833 2.291 1.00 0.00 C ATOM 1152 O VAL A 72 -7.998 -2.142 2.353 1.00 0.00 O ATOM 1153 CB VAL A 72 -5.101 -2.381 0.736 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -4.376 -2.904 -0.501 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -5.451 -0.902 0.536 1.00 0.00 C ATOM 0 H VAL A 72 -7.762 -1.977 -0.128 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.121 -4.257 0.937 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.460 -2.477 1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.465 -2.327 -0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.120 -3.954 -0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.024 -2.805 -1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.536 -0.329 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.094 -0.795 -0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.972 -0.529 1.418 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.418 -3.305 3.366 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.960 -3.011 4.728 1.00 0.00 C ATOM 1167 C VAL A 73 -5.896 -2.287 5.553 1.00 0.00 C ATOM 1168 O VAL A 73 -4.733 -2.641 5.538 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.347 -4.328 5.407 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -6.117 -5.230 5.550 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -7.927 -4.032 6.789 1.00 0.00 C ATOM 0 H VAL A 73 -5.581 -3.888 3.357 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.841 -2.374 4.649 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.091 -4.840 4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.405 -6.163 6.034 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.706 -5.444 4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.364 -4.725 6.155 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.204 -4.967 7.275 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.181 -3.515 7.393 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.810 -3.402 6.686 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.285 -1.257 6.257 1.00 0.00 N ATOM 1182 CA VAL A 74 -5.301 -0.487 7.068 1.00 0.00 C ATOM 1183 C VAL A 74 -5.124 -1.141 8.437 1.00 0.00 C ATOM 1184 O VAL A 74 -6.037 -1.196 9.238 1.00 0.00 O ATOM 1185 CB VAL A 74 -5.810 0.942 7.246 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -4.691 1.815 7.814 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.246 1.494 5.886 1.00 0.00 C ATOM 0 H VAL A 74 -7.245 -0.916 6.304 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.339 -0.477 6.555 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.656 0.946 7.933 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.054 2.835 7.941 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.375 1.419 8.779 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.845 1.814 7.127 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.610 2.514 6.007 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.397 1.491 5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.042 0.871 5.478 1.00 0.00 H new ATOM 1197 N GLY A 75 -3.945 -1.632 8.709 1.00 0.00 N ATOM 1198 CA GLY A 75 -3.678 -2.285 10.024 1.00 0.00 C ATOM 1199 C GLY A 75 -3.087 -1.257 10.988 1.00 0.00 C ATOM 1200 O GLY A 75 -2.923 -0.100 10.650 1.00 0.00 O ATOM 0 H GLY A 75 -3.149 -1.609 8.072 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.601 -2.696 10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.988 -3.119 9.895 1.00 0.00 H new ATOM 1204 N GLU A 76 -2.767 -1.675 12.188 1.00 0.00 N ATOM 1205 CA GLU A 76 -2.185 -0.737 13.197 1.00 0.00 C ATOM 1206 C GLU A 76 -0.731 -1.115 13.470 1.00 0.00 C ATOM 1207 O GLU A 76 -0.404 -2.268 13.671 1.00 0.00 O ATOM 1208 CB GLU A 76 -2.998 -0.833 14.492 1.00 0.00 C ATOM 1209 CG GLU A 76 -2.988 -2.273 15.010 1.00 0.00 C ATOM 1210 CD GLU A 76 -3.966 -2.394 16.180 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -4.102 -1.429 16.914 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -4.561 -3.449 16.323 1.00 0.00 O ATOM 0 H GLU A 76 -2.885 -2.634 12.514 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.220 0.284 12.817 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.580 -0.164 15.244 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.023 -0.509 14.312 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.270 -2.961 14.213 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.984 -2.550 15.330 1.00 0.00 H new ATOM 1219 N TYR A 77 0.149 -0.145 13.475 1.00 0.00 N ATOM 1220 CA TYR A 77 1.590 -0.429 13.736 1.00 0.00 C ATOM 1221 C TYR A 77 2.144 0.627 14.695 1.00 0.00 C ATOM 1222 O TYR A 77 2.336 1.772 14.339 1.00 0.00 O ATOM 1223 CB TYR A 77 2.355 -0.397 12.411 1.00 0.00 C ATOM 1224 CG TYR A 77 3.820 -0.638 12.671 1.00 0.00 C ATOM 1225 CD1 TYR A 77 4.272 -1.931 12.962 1.00 0.00 C ATOM 1226 CD2 TYR A 77 4.725 0.427 12.628 1.00 0.00 C ATOM 1227 CE1 TYR A 77 5.632 -2.157 13.206 1.00 0.00 C ATOM 1228 CE2 TYR A 77 6.083 0.202 12.871 1.00 0.00 C ATOM 1229 CZ TYR A 77 6.537 -1.090 13.163 1.00 0.00 C ATOM 1230 OH TYR A 77 7.877 -1.313 13.406 1.00 0.00 O ATOM 0 H TYR A 77 -0.072 0.837 13.308 1.00 0.00 H new ATOM 0 HA TYR A 77 1.704 -1.414 14.189 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.965 -1.158 11.735 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.215 0.567 11.921 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.572 -2.753 12.998 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.374 1.424 12.407 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.983 -3.154 13.427 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.782 1.024 12.834 1.00 0.00 H new ATOM 0 HH TYR A 77 8.367 -0.467 13.336 1.00 0.00 H new ATOM 1240 N ASN A 78 2.400 0.236 15.915 1.00 0.00 N ATOM 1241 CA ASN A 78 2.944 1.184 16.932 1.00 0.00 C ATOM 1242 C ASN A 78 2.090 2.457 17.003 1.00 0.00 C ATOM 1243 O ASN A 78 0.877 2.408 17.053 1.00 0.00 O ATOM 1244 CB ASN A 78 4.381 1.562 16.569 1.00 0.00 C ATOM 1245 CG ASN A 78 5.039 2.256 17.764 1.00 0.00 C ATOM 1246 OD1 ASN A 78 4.779 1.908 18.899 1.00 0.00 O ATOM 1247 ND2 ASN A 78 5.883 3.230 17.559 1.00 0.00 N ATOM 0 H ASN A 78 2.253 -0.714 16.255 1.00 0.00 H new ATOM 0 HA ASN A 78 2.923 0.692 17.904 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.946 0.671 16.295 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.387 2.222 15.702 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.324 3.698 18.351 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.102 3.523 16.607 1.00 0.00 H new ATOM 1254 N ASP A 79 2.726 3.599 17.026 1.00 0.00 N ATOM 1255 CA ASP A 79 1.980 4.885 17.108 1.00 0.00 C ATOM 1256 C ASP A 79 1.610 5.342 15.698 1.00 0.00 C ATOM 1257 O ASP A 79 0.892 6.304 15.516 1.00 0.00 O ATOM 1258 CB ASP A 79 2.880 5.933 17.765 1.00 0.00 C ATOM 1259 CG ASP A 79 2.076 7.201 18.054 1.00 0.00 C ATOM 1260 OD1 ASP A 79 1.145 7.124 18.839 1.00 0.00 O ATOM 1261 OD2 ASP A 79 2.407 8.228 17.486 1.00 0.00 O ATOM 0 H ASP A 79 3.741 3.694 16.991 1.00 0.00 H new ATOM 0 HA ASP A 79 1.072 4.756 17.696 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.297 5.538 18.691 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.720 6.166 17.110 1.00 0.00 H new ATOM 1266 N ARG A 80 2.109 4.656 14.699 1.00 0.00 N ATOM 1267 CA ARG A 80 1.812 5.033 13.283 1.00 0.00 C ATOM 1268 C ARG A 80 0.873 4.000 12.659 1.00 0.00 C ATOM 1269 O ARG A 80 0.555 2.993 13.260 1.00 0.00 O ATOM 1270 CB ARG A 80 3.118 5.083 12.491 1.00 0.00 C ATOM 1271 CG ARG A 80 3.982 6.231 13.019 1.00 0.00 C ATOM 1272 CD ARG A 80 5.326 6.245 12.287 1.00 0.00 C ATOM 1273 NE ARG A 80 5.093 6.545 10.846 1.00 0.00 N ATOM 1274 CZ ARG A 80 6.077 6.475 9.987 1.00 0.00 C ATOM 1275 NH1 ARG A 80 7.272 6.133 10.382 1.00 0.00 N ATOM 1276 NH2 ARG A 80 5.859 6.746 8.730 1.00 0.00 N ATOM 0 H ARG A 80 2.715 3.843 14.806 1.00 0.00 H new ATOM 0 HA ARG A 80 1.332 6.011 13.260 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.651 4.137 12.586 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.909 5.227 11.431 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.468 7.182 12.874 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.142 6.115 14.091 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.985 6.994 12.725 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.823 5.281 12.395 1.00 0.00 H new ATOM 0 HE ARG A 80 4.160 6.807 10.527 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.442 5.919 11.365 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.036 6.080 9.708 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.924 7.011 8.420 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.623 6.693 8.057 1.00 0.00 H new ATOM 1290 N PHE A 81 0.421 4.253 11.457 1.00 0.00 N ATOM 1291 CA PHE A 81 -0.512 3.307 10.775 1.00 0.00 C ATOM 1292 C PHE A 81 0.234 2.526 9.699 1.00 0.00 C ATOM 1293 O PHE A 81 1.248 2.958 9.190 1.00 0.00 O ATOM 1294 CB PHE A 81 -1.650 4.097 10.131 1.00 0.00 C ATOM 1295 CG PHE A 81 -2.579 4.589 11.211 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -3.585 3.748 11.700 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -2.430 5.879 11.730 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -4.444 4.197 12.707 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -3.289 6.329 12.740 1.00 0.00 C ATOM 1300 CZ PHE A 81 -4.297 5.487 13.228 1.00 0.00 C ATOM 0 H PHE A 81 0.661 5.083 10.914 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.916 2.609 11.508 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.251 4.939 9.566 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.193 3.468 9.425 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.698 2.752 11.299 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.653 6.527 11.352 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.221 3.548 13.083 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.175 7.325 13.143 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.960 5.834 14.006 1.00 0.00 H new ATOM 1310 N GLN A 82 -0.266 1.368 9.359 1.00 0.00 N ATOM 1311 CA GLN A 82 0.397 0.529 8.322 1.00 0.00 C ATOM 1312 C GLN A 82 -0.672 -0.076 7.414 1.00 0.00 C ATOM 1313 O GLN A 82 -1.797 -0.277 7.823 1.00 0.00 O ATOM 1314 CB GLN A 82 1.170 -0.589 9.025 1.00 0.00 C ATOM 1315 CG GLN A 82 1.842 -1.494 7.992 1.00 0.00 C ATOM 1316 CD GLN A 82 2.656 -2.567 8.713 1.00 0.00 C ATOM 1317 OE1 GLN A 82 3.948 -2.612 8.542 1.00 0.00 O flip ATOM 1318 NE2 GLN A 82 2.113 -3.370 9.445 1.00 0.00 N flip ATOM 0 H GLN A 82 -1.113 0.965 9.760 1.00 0.00 H new ATOM 0 HA GLN A 82 1.080 1.131 7.723 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.922 -0.161 9.688 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.493 -1.174 9.647 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.090 -1.959 7.355 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.490 -0.905 7.343 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.102 -3.336 9.579 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.668 -4.079 9.925 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.325 -0.376 6.185 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.311 -0.982 5.234 1.00 0.00 C ATOM 1329 C VAL A 83 -0.839 -2.386 4.856 1.00 0.00 C ATOM 1330 O VAL A 83 0.313 -2.602 4.534 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.427 -0.102 3.983 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -2.295 1.117 4.304 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -0.038 0.369 3.545 1.00 0.00 C ATOM 0 H VAL A 83 0.606 -0.226 5.797 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.292 -1.048 5.705 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.880 -0.680 3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.381 1.746 3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.287 0.786 4.612 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.836 1.688 5.111 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.129 0.993 2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.421 0.946 4.348 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.585 -0.496 3.318 1.00 0.00 H new ATOM 1343 N GLN A 84 -1.724 -3.350 4.921 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.342 -4.759 4.596 1.00 0.00 C ATOM 1345 C GLN A 84 -1.810 -5.120 3.190 1.00 0.00 C ATOM 1346 O GLN A 84 -2.928 -4.840 2.805 1.00 0.00 O ATOM 1347 CB GLN A 84 -2.009 -5.701 5.598 1.00 0.00 C ATOM 1348 CG GLN A 84 -1.388 -5.491 6.978 1.00 0.00 C ATOM 1349 CD GLN A 84 -2.086 -6.395 7.995 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -2.906 -7.214 7.635 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -1.794 -6.274 9.260 1.00 0.00 N ATOM 0 H GLN A 84 -2.700 -3.220 5.187 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.258 -4.856 4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.081 -5.510 5.636 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.881 -6.736 5.282 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -0.322 -5.716 6.947 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.485 -4.447 7.277 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.105 -5.585 9.561 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -2.255 -6.868 9.949 1.00 0.00 H new ATOM 1360 N VAL A 85 -0.959 -5.756 2.426 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.332 -6.166 1.039 1.00 0.00 C ATOM 1362 C VAL A 85 -1.538 -7.679 1.013 1.00 0.00 C ATOM 1363 O VAL A 85 -0.714 -8.433 1.498 1.00 0.00 O ATOM 1364 CB VAL A 85 -0.206 -5.787 0.083 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.576 -6.218 -1.336 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.000 -4.273 0.124 1.00 0.00 C ATOM 0 H VAL A 85 -0.012 -6.011 2.707 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.249 -5.663 0.733 1.00 0.00 H new ATOM 0 HB VAL A 85 0.715 -6.288 0.382 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.228 -5.947 -2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.726 -7.297 -1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.495 -5.717 -1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.804 -3.997 -0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.920 -3.772 -0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.263 -3.969 1.137 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.640 -8.126 0.461 1.00 0.00 N ATOM 1377 CA ASN A 86 -2.933 -9.592 0.404 1.00 0.00 C ATOM 1378 C ASN A 86 -3.194 -10.016 -1.045 1.00 0.00 C ATOM 1379 O ASN A 86 -3.148 -9.217 -1.958 1.00 0.00 O ATOM 1380 CB ASN A 86 -4.181 -9.877 1.240 1.00 0.00 C ATOM 1381 CG ASN A 86 -3.871 -9.637 2.718 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -2.921 -10.177 3.247 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -4.636 -8.838 3.413 1.00 0.00 N ATOM 0 H ASN A 86 -3.356 -7.531 0.043 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.081 -10.149 0.793 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.001 -9.233 0.920 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.506 -10.906 1.088 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.435 -8.669 4.398 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -5.435 -8.383 2.970 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.474 -11.275 -1.251 1.00 0.00 N ATOM 1391 CA LYS A 87 -3.746 -11.782 -2.628 1.00 0.00 C ATOM 1392 C LYS A 87 -4.935 -11.036 -3.236 1.00 0.00 C ATOM 1393 O LYS A 87 -4.933 -10.688 -4.398 1.00 0.00 O ATOM 1394 CB LYS A 87 -4.060 -13.278 -2.545 1.00 0.00 C ATOM 1395 CG LYS A 87 -4.378 -13.822 -3.939 1.00 0.00 C ATOM 1396 CD LYS A 87 -4.614 -15.333 -3.862 1.00 0.00 C ATOM 1397 CE LYS A 87 -4.951 -15.867 -5.256 1.00 0.00 C ATOM 1398 NZ LYS A 87 -3.785 -15.669 -6.164 1.00 0.00 N ATOM 0 H LYS A 87 -3.526 -11.981 -0.517 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.873 -11.619 -3.260 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.211 -13.814 -2.121 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.906 -13.444 -1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.262 -13.326 -4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.555 -13.607 -4.620 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.725 -15.832 -3.475 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.428 -15.550 -3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.205 -16.926 -5.199 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.825 -15.351 -5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.876 -16.297 -6.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.758 -14.680 -6.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.906 -15.892 -5.654 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.951 -10.792 -2.464 1.00 0.00 N ATOM 1413 CA ASN A 88 -7.136 -10.072 -3.000 1.00 0.00 C ATOM 1414 C ASN A 88 -6.704 -8.688 -3.484 1.00 0.00 C ATOM 1415 O ASN A 88 -7.215 -8.169 -4.457 1.00 0.00 O ATOM 1416 CB ASN A 88 -8.165 -9.922 -1.882 1.00 0.00 C ATOM 1417 CG ASN A 88 -9.346 -9.077 -2.366 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -9.351 -8.599 -3.484 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -10.353 -8.867 -1.563 1.00 0.00 N ATOM 0 H ASN A 88 -6.014 -11.060 -1.482 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.570 -10.628 -3.831 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.516 -10.904 -1.566 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -7.704 -9.453 -1.013 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.144 -8.302 -1.873 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.349 -9.268 -0.625 1.00 0.00 H new ATOM 1426 N SER A 89 -5.772 -8.080 -2.803 1.00 0.00 N ATOM 1427 CA SER A 89 -5.309 -6.725 -3.210 1.00 0.00 C ATOM 1428 C SER A 89 -4.521 -6.810 -4.519 1.00 0.00 C ATOM 1429 O SER A 89 -3.928 -7.823 -4.831 1.00 0.00 O ATOM 1430 CB SER A 89 -4.416 -6.154 -2.112 1.00 0.00 C ATOM 1431 OG SER A 89 -3.846 -4.932 -2.560 1.00 0.00 O ATOM 0 H SER A 89 -5.310 -8.465 -1.979 1.00 0.00 H new ATOM 0 HA SER A 89 -6.173 -6.077 -3.360 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.997 -5.987 -1.205 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.629 -6.865 -1.860 1.00 0.00 H new ATOM 0 HG SER A 89 -4.549 -4.361 -2.935 1.00 0.00 H new ATOM 1437 N SER A 90 -4.515 -5.745 -5.287 1.00 0.00 N ATOM 1438 CA SER A 90 -3.771 -5.741 -6.587 1.00 0.00 C ATOM 1439 C SER A 90 -2.861 -4.515 -6.650 1.00 0.00 C ATOM 1440 O SER A 90 -3.163 -3.478 -6.093 1.00 0.00 O ATOM 1441 CB SER A 90 -4.772 -5.682 -7.740 1.00 0.00 C ATOM 1442 OG SER A 90 -4.068 -5.743 -8.973 1.00 0.00 O ATOM 0 H SER A 90 -4.997 -4.873 -5.067 1.00 0.00 H new ATOM 0 HA SER A 90 -3.170 -6.647 -6.665 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.477 -6.510 -7.668 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.355 -4.762 -7.685 1.00 0.00 H new ATOM 0 HG SER A 90 -4.706 -5.707 -9.716 1.00 0.00 H new ATOM 1448 N ILE A 91 -1.745 -4.634 -7.326 1.00 0.00 N ATOM 1449 CA ILE A 91 -0.788 -3.490 -7.440 1.00 0.00 C ATOM 1450 C ILE A 91 -0.539 -3.183 -8.914 1.00 0.00 C ATOM 1451 O ILE A 91 -0.282 -4.069 -9.705 1.00 0.00 O ATOM 1452 CB ILE A 91 0.535 -3.874 -6.781 1.00 0.00 C ATOM 1453 CG1 ILE A 91 0.304 -4.118 -5.289 1.00 0.00 C ATOM 1454 CG2 ILE A 91 1.543 -2.740 -6.964 1.00 0.00 C ATOM 1455 CD1 ILE A 91 1.551 -4.758 -4.675 1.00 0.00 C ATOM 0 H ILE A 91 -1.453 -5.484 -7.809 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.207 -2.613 -6.947 1.00 0.00 H new ATOM 0 HB ILE A 91 0.924 -4.781 -7.243 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.081 -3.177 -4.786 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.559 -4.768 -5.146 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.488 -3.013 -6.494 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.704 -2.565 -8.028 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.157 -1.832 -6.501 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.385 -4.931 -3.612 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.754 -5.708 -5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.404 -4.092 -4.805 1.00 0.00 H new ATOM 1467 N GLU A 92 -0.605 -1.927 -9.286 1.00 0.00 N ATOM 1468 CA GLU A 92 -0.361 -1.536 -10.709 1.00 0.00 C ATOM 1469 C GLU A 92 0.725 -0.462 -10.752 1.00 0.00 C ATOM 1470 O GLU A 92 0.683 0.510 -10.025 1.00 0.00 O ATOM 1471 CB GLU A 92 -1.655 -0.990 -11.319 1.00 0.00 C ATOM 1472 CG GLU A 92 -1.394 -0.548 -12.761 1.00 0.00 C ATOM 1473 CD GLU A 92 -2.706 -0.117 -13.414 1.00 0.00 C ATOM 1474 OE1 GLU A 92 -3.685 0.022 -12.699 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -2.713 0.064 -14.621 1.00 0.00 O ATOM 0 H GLU A 92 -0.819 -1.151 -8.659 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.037 -2.406 -11.281 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.431 -1.755 -11.297 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.020 -0.149 -10.730 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.682 0.277 -12.775 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.947 -1.365 -13.327 1.00 0.00 H new ATOM 1482 N LYS A 93 1.702 -0.639 -11.596 1.00 0.00 N ATOM 1483 CA LYS A 93 2.801 0.358 -11.689 1.00 0.00 C ATOM 1484 C LYS A 93 2.351 1.551 -12.526 1.00 0.00 C ATOM 1485 O LYS A 93 1.816 1.397 -13.606 1.00 0.00 O ATOM 1486 CB LYS A 93 4.010 -0.298 -12.349 1.00 0.00 C ATOM 1487 CG LYS A 93 5.186 0.686 -12.363 1.00 0.00 C ATOM 1488 CD LYS A 93 6.412 0.033 -13.015 1.00 0.00 C ATOM 1489 CE LYS A 93 7.088 -0.936 -12.036 1.00 0.00 C ATOM 1490 NZ LYS A 93 8.406 -1.354 -12.591 1.00 0.00 N ATOM 0 H LYS A 93 1.786 -1.435 -12.228 1.00 0.00 H new ATOM 0 HA LYS A 93 3.064 0.704 -10.690 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.286 -1.203 -11.807 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.762 -0.599 -13.367 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.910 1.587 -12.911 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.426 0.993 -11.345 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.111 -0.502 -13.916 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.121 0.802 -13.323 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.224 -0.456 -11.067 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.455 -1.808 -11.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.656 -2.294 -12.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.349 -1.394 -13.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.134 -0.667 -12.310 1.00 0.00 H new ATOM 1504 N LEU A 94 2.565 2.742 -12.032 1.00 0.00 N ATOM 1505 CA LEU A 94 2.156 3.963 -12.787 1.00 0.00 C ATOM 1506 C LEU A 94 3.380 4.578 -13.474 1.00 0.00 C ATOM 1507 O LEU A 94 4.451 4.667 -12.907 1.00 0.00 O ATOM 1508 CB LEU A 94 1.538 4.966 -11.804 1.00 0.00 C ATOM 1509 CG LEU A 94 0.048 4.654 -11.618 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -0.119 3.198 -11.176 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -0.534 5.584 -10.552 1.00 0.00 C ATOM 0 H LEU A 94 3.009 2.922 -11.131 1.00 0.00 H new ATOM 0 HA LEU A 94 1.423 3.704 -13.551 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.053 4.915 -10.845 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.663 5.982 -12.179 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.478 4.806 -12.561 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.178 2.977 -11.044 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.298 2.537 -11.936 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.404 3.042 -10.233 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.593 5.365 -10.417 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.009 5.431 -9.609 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.415 6.620 -10.869 1.00 0.00 H new ATOM 1523 N SER A 95 3.218 4.993 -14.701 1.00 0.00 N ATOM 1524 CA SER A 95 4.348 5.601 -15.457 1.00 0.00 C ATOM 1525 C SER A 95 4.356 7.114 -15.234 1.00 0.00 C ATOM 1526 O SER A 95 5.117 7.832 -15.849 1.00 0.00 O ATOM 1527 CB SER A 95 4.163 5.304 -16.943 1.00 0.00 C ATOM 1528 OG SER A 95 4.204 3.898 -17.145 1.00 0.00 O ATOM 0 H SER A 95 2.340 4.936 -15.217 1.00 0.00 H new ATOM 0 HA SER A 95 5.293 5.183 -15.111 1.00 0.00 H new ATOM 0 HB2 SER A 95 3.212 5.706 -17.291 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.947 5.790 -17.524 1.00 0.00 H new ATOM 0 HG SER A 95 4.084 3.701 -18.097 1.00 0.00 H new ATOM 1534 N GLU A 96 3.505 7.599 -14.360 1.00 0.00 N ATOM 1535 CA GLU A 96 3.442 9.069 -14.076 1.00 0.00 C ATOM 1536 C GLU A 96 3.837 9.314 -12.606 1.00 0.00 C ATOM 1537 O GLU A 96 3.001 9.282 -11.725 1.00 0.00 O ATOM 1538 CB GLU A 96 2.011 9.579 -14.320 1.00 0.00 C ATOM 1539 CG GLU A 96 0.992 8.545 -13.832 1.00 0.00 C ATOM 1540 CD GLU A 96 0.888 7.404 -14.847 1.00 0.00 C ATOM 1541 OE1 GLU A 96 0.828 7.695 -16.032 1.00 0.00 O ATOM 1542 OE2 GLU A 96 0.872 6.260 -14.424 1.00 0.00 O ATOM 0 H GLU A 96 2.845 7.033 -13.826 1.00 0.00 H new ATOM 0 HA GLU A 96 4.128 9.602 -14.734 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.860 10.524 -13.798 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.862 9.774 -15.382 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.293 8.154 -12.860 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.018 9.015 -13.698 1.00 0.00 H new ATOM 1549 N PRO A 97 5.102 9.554 -12.340 1.00 0.00 N ATOM 1550 CA PRO A 97 5.595 9.801 -10.950 1.00 0.00 C ATOM 1551 C PRO A 97 4.825 10.927 -10.253 1.00 0.00 C ATOM 1552 O PRO A 97 4.329 11.840 -10.880 1.00 0.00 O ATOM 1553 CB PRO A 97 7.077 10.176 -11.137 1.00 0.00 C ATOM 1554 CG PRO A 97 7.464 9.597 -12.463 1.00 0.00 C ATOM 1555 CD PRO A 97 6.198 9.604 -13.322 1.00 0.00 C ATOM 0 HA PRO A 97 5.456 8.929 -10.311 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.214 11.257 -11.124 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.691 9.767 -10.334 1.00 0.00 H new ATOM 0 HG2 PRO A 97 8.253 10.187 -12.929 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.849 8.584 -12.347 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.140 10.500 -13.940 1.00 0.00 H new ATOM 0 HD3 PRO A 97 6.169 8.749 -13.997 1.00 0.00 H new ATOM 1563 N ILE A 98 4.699 10.841 -8.953 1.00 0.00 N ATOM 1564 CA ILE A 98 3.936 11.872 -8.188 1.00 0.00 C ATOM 1565 C ILE A 98 4.889 12.865 -7.524 1.00 0.00 C ATOM 1566 O ILE A 98 5.821 12.494 -6.839 1.00 0.00 O ATOM 1567 CB ILE A 98 3.103 11.157 -7.129 1.00 0.00 C ATOM 1568 CG1 ILE A 98 2.101 10.240 -7.835 1.00 0.00 C ATOM 1569 CG2 ILE A 98 2.357 12.178 -6.273 1.00 0.00 C ATOM 1570 CD1 ILE A 98 1.429 9.324 -6.816 1.00 0.00 C ATOM 0 H ILE A 98 5.096 10.093 -8.384 1.00 0.00 H new ATOM 0 HA ILE A 98 3.290 12.431 -8.865 1.00 0.00 H new ATOM 0 HB ILE A 98 3.754 10.570 -6.481 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.350 10.837 -8.352 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.611 9.644 -8.592 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.765 11.658 -5.520 1.00 0.00 H new ATOM 0 HG22 ILE A 98 3.075 12.834 -5.781 1.00 0.00 H new ATOM 0 HG23 ILE A 98 1.698 12.772 -6.906 1.00 0.00 H new ATOM 0 HD11 ILE A 98 0.717 8.674 -7.325 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.185 8.716 -6.319 1.00 0.00 H new ATOM 0 HD13 ILE A 98 0.904 9.927 -6.075 1.00 0.00 H new ATOM 1582 N GLU A 99 4.655 14.134 -7.732 1.00 0.00 N ATOM 1583 CA GLU A 99 5.531 15.179 -7.134 1.00 0.00 C ATOM 1584 C GLU A 99 5.021 15.529 -5.733 1.00 0.00 C ATOM 1585 O GLU A 99 3.860 15.834 -5.544 1.00 0.00 O ATOM 1586 CB GLU A 99 5.496 16.427 -8.018 1.00 0.00 C ATOM 1587 CG GLU A 99 6.154 16.133 -9.378 1.00 0.00 C ATOM 1588 CD GLU A 99 5.156 15.424 -10.302 1.00 0.00 C ATOM 1589 OE1 GLU A 99 4.069 15.114 -9.845 1.00 0.00 O ATOM 1590 OE2 GLU A 99 5.498 15.206 -11.452 1.00 0.00 O ATOM 0 H GLU A 99 3.885 14.493 -8.297 1.00 0.00 H new ATOM 0 HA GLU A 99 6.554 14.808 -7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.465 16.748 -8.166 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.017 17.247 -7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.490 17.063 -9.837 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.037 15.510 -9.237 1.00 0.00 H new ATOM 1597 N VAL A 100 5.885 15.485 -4.751 1.00 0.00 N ATOM 1598 CA VAL A 100 5.465 15.808 -3.353 1.00 0.00 C ATOM 1599 C VAL A 100 5.903 17.234 -3.008 1.00 0.00 C ATOM 1600 O VAL A 100 5.442 17.821 -2.050 1.00 0.00 O ATOM 1601 CB VAL A 100 6.144 14.823 -2.397 1.00 0.00 C ATOM 1602 CG1 VAL A 100 5.441 14.852 -1.040 1.00 0.00 C ATOM 1603 CG2 VAL A 100 6.068 13.409 -2.978 1.00 0.00 C ATOM 0 H VAL A 100 6.869 15.238 -4.858 1.00 0.00 H new ATOM 0 HA VAL A 100 4.382 15.731 -3.261 1.00 0.00 H new ATOM 0 HB VAL A 100 7.188 15.110 -2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.927 14.150 -0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.498 15.857 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 100 4.396 14.570 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.552 12.709 -2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.024 13.125 -3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 100 6.574 13.384 -3.943 1.00 0.00 H new ATOM 1613 N GLY A 101 6.792 17.797 -3.784 1.00 0.00 N ATOM 1614 CA GLY A 101 7.265 19.185 -3.508 1.00 0.00 C ATOM 1615 C GLY A 101 6.393 20.173 -4.279 1.00 0.00 C ATOM 1616 O GLY A 101 6.562 21.371 -4.187 1.00 0.00 O ATOM 0 H GLY A 101 7.212 17.353 -4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.215 19.394 -2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.308 19.293 -3.805 1.00 0.00 H new ATOM 1620 N LEU A 102 5.468 19.677 -5.053 1.00 0.00 N ATOM 1621 CA LEU A 102 4.596 20.586 -5.841 1.00 0.00 C ATOM 1622 C LEU A 102 3.800 21.489 -4.899 1.00 0.00 C ATOM 1623 O LEU A 102 3.931 22.694 -4.937 1.00 0.00 O ATOM 1624 CB LEU A 102 3.616 19.751 -6.671 1.00 0.00 C ATOM 1625 CG LEU A 102 2.924 20.635 -7.729 1.00 0.00 C ATOM 1626 CD1 LEU A 102 3.822 20.797 -8.964 1.00 0.00 C ATOM 1627 CD2 LEU A 102 1.599 19.991 -8.154 1.00 0.00 C ATOM 0 H LEU A 102 5.280 18.682 -5.173 1.00 0.00 H new ATOM 0 HA LEU A 102 5.217 21.198 -6.495 1.00 0.00 H new ATOM 0 HB2 LEU A 102 4.147 18.934 -7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.868 19.300 -6.019 1.00 0.00 H new ATOM 0 HG LEU A 102 2.737 21.616 -7.292 1.00 0.00 H new ATOM 0 HD11 LEU A 102 3.318 21.423 -9.700 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.762 21.265 -8.672 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.024 19.818 -9.398 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.113 20.618 -8.901 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.793 19.006 -8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.948 19.891 -7.285 1.00 0.00 H new ATOM 1639 N GLU A 103 2.978 20.900 -4.055 1.00 0.00 N ATOM 1640 CA GLU A 103 2.142 21.689 -3.091 1.00 0.00 C ATOM 1641 C GLU A 103 1.765 23.050 -3.692 1.00 0.00 C ATOM 1642 O GLU A 103 1.776 24.063 -3.022 1.00 0.00 O ATOM 1643 CB GLU A 103 2.905 21.883 -1.778 1.00 0.00 C ATOM 1644 CG GLU A 103 4.281 22.489 -2.054 1.00 0.00 C ATOM 1645 CD GLU A 103 4.952 22.852 -0.730 1.00 0.00 C ATOM 1646 OE1 GLU A 103 4.242 23.217 0.191 1.00 0.00 O ATOM 1647 OE2 GLU A 103 6.166 22.751 -0.658 1.00 0.00 O ATOM 0 H GLU A 103 2.851 19.890 -3.995 1.00 0.00 H new ATOM 0 HA GLU A 103 1.224 21.136 -2.891 1.00 0.00 H new ATOM 0 HB2 GLU A 103 2.339 22.535 -1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.016 20.926 -1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.899 21.780 -2.605 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.181 23.377 -2.679 1.00 0.00 H new ATOM 1654 N HIS A 104 1.440 23.073 -4.957 1.00 0.00 N ATOM 1655 CA HIS A 104 1.067 24.354 -5.616 1.00 0.00 C ATOM 1656 C HIS A 104 -0.240 24.867 -5.016 1.00 0.00 C ATOM 1657 O HIS A 104 -0.382 26.035 -4.714 1.00 0.00 O ATOM 1658 CB HIS A 104 0.879 24.114 -7.115 1.00 0.00 C ATOM 1659 CG HIS A 104 0.542 25.411 -7.791 1.00 0.00 C ATOM 1660 ND1 HIS A 104 1.339 26.535 -7.659 1.00 0.00 N ATOM 1661 CD2 HIS A 104 -0.495 25.777 -8.611 1.00 0.00 C ATOM 1662 CE1 HIS A 104 0.773 27.518 -8.381 1.00 0.00 C ATOM 1663 NE2 HIS A 104 -0.347 27.111 -8.983 1.00 0.00 N ATOM 0 H HIS A 104 1.417 22.254 -5.564 1.00 0.00 H new ATOM 0 HA HIS A 104 1.855 25.091 -5.460 1.00 0.00 H new ATOM 0 HB2 HIS A 104 1.789 23.694 -7.544 1.00 0.00 H new ATOM 0 HB3 HIS A 104 0.083 23.388 -7.281 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -1.302 25.130 -8.921 1.00 0.00 H new ATOM 0 HE1 HIS A 104 1.176 28.517 -8.464 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -0.962 27.659 -9.585 1.00 0.00 H new ATOM 1671 N HIS A 105 -1.194 23.992 -4.845 1.00 0.00 N ATOM 1672 CA HIS A 105 -2.511 24.393 -4.267 1.00 0.00 C ATOM 1673 C HIS A 105 -2.961 25.740 -4.839 1.00 0.00 C ATOM 1674 O HIS A 105 -2.660 26.788 -4.303 1.00 0.00 O ATOM 1675 CB HIS A 105 -2.398 24.490 -2.745 1.00 0.00 C ATOM 1676 CG HIS A 105 -2.081 23.132 -2.182 1.00 0.00 C ATOM 1677 ND1 HIS A 105 -3.012 22.105 -2.162 1.00 0.00 N ATOM 1678 CD2 HIS A 105 -0.941 22.615 -1.619 1.00 0.00 C ATOM 1679 CE1 HIS A 105 -2.421 21.033 -1.603 1.00 0.00 C ATOM 1680 NE2 HIS A 105 -1.157 21.290 -1.254 1.00 0.00 N ATOM 0 H HIS A 105 -1.116 23.003 -5.084 1.00 0.00 H new ATOM 0 HA HIS A 105 -3.252 23.638 -4.529 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -1.618 25.201 -2.471 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -3.331 24.863 -2.323 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -0.016 23.155 -1.480 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -2.909 20.081 -1.455 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -0.493 20.652 -0.815 1.00 0.00 H new ATOM 1688 N HIS A 106 -3.692 25.717 -5.920 1.00 0.00 N ATOM 1689 CA HIS A 106 -4.180 26.989 -6.525 1.00 0.00 C ATOM 1690 C HIS A 106 -5.464 26.701 -7.306 1.00 0.00 C ATOM 1691 O HIS A 106 -5.434 26.444 -8.493 1.00 0.00 O ATOM 1692 CB HIS A 106 -3.113 27.558 -7.466 1.00 0.00 C ATOM 1693 CG HIS A 106 -3.619 28.838 -8.069 1.00 0.00 C ATOM 1694 ND1 HIS A 106 -3.786 29.991 -7.319 1.00 0.00 N ATOM 1695 CD2 HIS A 106 -4.004 29.163 -9.347 1.00 0.00 C ATOM 1696 CE1 HIS A 106 -4.256 30.946 -8.142 1.00 0.00 C ATOM 1697 NE2 HIS A 106 -4.407 30.494 -9.390 1.00 0.00 N ATOM 0 H HIS A 106 -3.973 24.869 -6.412 1.00 0.00 H new ATOM 0 HA HIS A 106 -4.381 27.720 -5.742 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -2.188 27.740 -6.919 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -2.882 26.838 -8.251 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -3.995 28.488 -10.190 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -4.483 31.955 -7.832 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -4.745 31.013 -10.200 1.00 0.00 H new ATOM 1705 N HIS A 107 -6.596 26.740 -6.647 1.00 0.00 N ATOM 1706 CA HIS A 107 -7.884 26.464 -7.353 1.00 0.00 C ATOM 1707 C HIS A 107 -9.049 27.156 -6.632 1.00 0.00 C ATOM 1708 O HIS A 107 -8.947 27.539 -5.483 1.00 0.00 O ATOM 1709 CB HIS A 107 -8.132 24.953 -7.396 1.00 0.00 C ATOM 1710 CG HIS A 107 -8.161 24.394 -6.000 1.00 0.00 C ATOM 1711 ND1 HIS A 107 -7.011 24.237 -5.242 1.00 0.00 N ATOM 1712 CD2 HIS A 107 -9.192 23.935 -5.216 1.00 0.00 C ATOM 1713 CE1 HIS A 107 -7.373 23.703 -4.061 1.00 0.00 C ATOM 1714 NE2 HIS A 107 -8.692 23.500 -3.992 1.00 0.00 N ATOM 0 H HIS A 107 -6.683 26.951 -5.653 1.00 0.00 H new ATOM 0 HA HIS A 107 -7.818 26.854 -8.369 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -9.077 24.746 -7.899 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -7.349 24.464 -7.976 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -10.232 23.915 -5.506 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -6.682 23.467 -3.266 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -9.219 23.110 -3.211 1.00 0.00 H new ATOM 1722 N HIS A 108 -10.155 27.315 -7.311 1.00 0.00 N ATOM 1723 CA HIS A 108 -11.346 27.978 -6.699 1.00 0.00 C ATOM 1724 C HIS A 108 -10.931 29.305 -6.056 1.00 0.00 C ATOM 1725 O HIS A 108 -11.691 29.925 -5.341 1.00 0.00 O ATOM 1726 CB HIS A 108 -11.973 27.060 -5.644 1.00 0.00 C ATOM 1727 CG HIS A 108 -13.278 27.652 -5.175 1.00 0.00 C ATOM 1728 ND1 HIS A 108 -13.375 28.403 -4.013 1.00 0.00 N ATOM 1729 CD2 HIS A 108 -14.546 27.612 -5.702 1.00 0.00 C ATOM 1730 CE1 HIS A 108 -14.661 28.779 -3.880 1.00 0.00 C ATOM 1731 NE2 HIS A 108 -15.417 28.324 -4.881 1.00 0.00 N ATOM 0 H HIS A 108 -10.286 27.010 -8.276 1.00 0.00 H new ATOM 0 HA HIS A 108 -12.082 28.175 -7.479 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.141 26.068 -6.063 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -11.293 26.939 -4.801 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -14.825 27.106 -6.614 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -15.035 29.377 -3.062 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -16.418 28.467 -5.016 1.00 0.00 H new ATOM 1739 N HIS A 109 -9.733 29.750 -6.317 1.00 0.00 N ATOM 1740 CA HIS A 109 -9.261 31.040 -5.736 1.00 0.00 C ATOM 1741 C HIS A 109 -10.345 32.113 -5.897 1.00 0.00 C ATOM 1742 O HIS A 109 -10.741 32.362 -7.025 1.00 0.00 O ATOM 1743 CB HIS A 109 -7.998 31.479 -6.476 1.00 0.00 C ATOM 1744 CG HIS A 109 -7.529 32.803 -5.941 1.00 0.00 C ATOM 1745 ND1 HIS A 109 -7.013 32.940 -4.663 1.00 0.00 N ATOM 1746 CD2 HIS A 109 -7.483 34.056 -6.501 1.00 0.00 C ATOM 1747 CE1 HIS A 109 -6.684 34.235 -4.496 1.00 0.00 C ATOM 1748 NE2 HIS A 109 -6.950 34.959 -5.586 1.00 0.00 N ATOM 1749 OXT HIS A 109 -10.757 32.667 -4.892 1.00 0.00 O ATOM 0 H HIS A 109 -9.056 29.273 -6.912 1.00 0.00 H new ATOM 0 HA HIS A 109 -9.048 30.908 -4.675 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -7.216 30.730 -6.355 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -8.200 31.559 -7.544 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -7.811 34.303 -7.500 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -6.257 34.639 -3.590 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -6.796 35.958 -5.719 1.00 0.00 H new TER 1757 HIS A 109