USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 752 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 50 LYS NZ :NH3+ -130:sc= -0.22! (180deg=-1.63!) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 65 ASN :FLIP amide:sc= -1.23 F(o=-4.8,f=-3.1) USER MOD Set 2.2: A 68 HIS : no HD1:sc= -1.9 K(o=-3.1,f=-3.9) USER MOD Set 3.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 17 ASN : amide:sc= -2.79! C(o=-2.8!,f=-4.5!) USER MOD Set 4.1: A 12 GLN : amide:sc= -0.349 K(o=-0.35,f=-2.7!) USER MOD Set 4.2: A 16 MET CE :methyl -155:sc= 0 (180deg=-0.0275) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.092 (180deg=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.0847 K(o=-0.085,f=-0.95) USER MOD Single : A 9 ASN : amide:sc= -0.0824 X(o=-0.082,f=-0.082) USER MOD Single : A 20 SER OG : rot 73:sc= 0.123 USER MOD Single : A 22 GLN : amide:sc= -0.171 K(o=-0.17,f=-0.9) USER MOD Single : A 25 HIS : no HE2:sc= -2.35 K(o=-2.3,f=-4.4!) USER MOD Single : A 27 SER OG : rot -135:sc= 1.31 USER MOD Single : A 31 SER OG : rot 79:sc= 1.12 USER MOD Single : A 32 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.16) USER MOD Single : A 34 GLN : amide:sc= -9.56! C(o=-9.6!,f=-22!) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -174:sc= -1.33! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.812 K(o=-0.81,f=-6.8!) USER MOD Single : A 52 GLN : amide:sc= -3.34! C(o=-3.3!,f=-3.5!) USER MOD Single : A 53 THR OG1 : rot 99:sc= 0.444 USER MOD Single : A 55 TYR OH : rot 180:sc= -0.6 USER MOD Single : A 59 MET CE :methyl 178:sc= 0 (180deg=-0.00767) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -148:sc= -0.207 USER MOD Single : A 85 LYS NZ :NH3+ -160:sc= -0.0173 (180deg=-0.184) USER MOD Single : A 87 ASN :FLIP amide:sc= 0.00548 F(o=-0.57,f=0.0055) USER MOD Single : A 92 HIS : no HD1:sc= -0.929 K(o=-0.93,f=-1.6) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.462 X(o=-0.46,f=-0.23) USER MOD Single : A 95 HIS : no HD1:sc= -0.025 X(o=-0.025,f=-0.00096) USER MOD Single : A 96 HIS : no HD1:sc= -0.0517 X(o=-0.052,f=-0.0011) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C MET A 1 1.138 -0.145 -2.447 1.00 0.00 C ATOM 4 O MET A 1 -0.071 -0.304 -2.282 1.00 0.00 O ATOM 5 CB MET A 1 3.077 -1.155 -1.238 1.00 0.00 C ATOM 6 CG MET A 1 4.355 -0.765 -0.492 1.00 0.00 C ATOM 7 SD MET A 1 5.786 -1.174 -1.477 1.00 0.00 S ATOM 8 CE MET A 1 5.818 -2.945 -1.257 1.00 0.00 C ATOM 0 H1 MET A 1 1.642 0.791 0.596 1.00 0.00 H new ATOM 0 H2 MET A 1 0.311 0.105 -0.204 1.00 0.00 H new ATOM 0 H3 MET A 1 1.486 -0.897 0.502 1.00 0.00 H new ATOM 0 HA MET A 1 2.599 0.951 -1.330 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.628 -2.029 -0.766 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.321 -1.436 -2.263 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.347 0.303 -0.274 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.401 -1.286 0.465 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.658 -3.365 -1.810 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.928 -3.178 -0.198 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.888 -3.375 -1.628 1.00 0.00 H new ATOM 18 N ILE A 2 1.732 -0.083 -3.630 1.00 0.00 N ATOM 19 CA ILE A 2 0.966 -0.205 -4.859 1.00 0.00 C ATOM 20 C ILE A 2 0.575 -1.670 -5.068 1.00 0.00 C ATOM 21 O ILE A 2 1.265 -2.573 -4.598 1.00 0.00 O ATOM 22 CB ILE A 2 1.739 0.398 -6.034 1.00 0.00 C ATOM 23 CG1 ILE A 2 1.950 1.901 -5.837 1.00 0.00 C ATOM 24 CG2 ILE A 2 1.049 0.085 -7.363 1.00 0.00 C ATOM 25 CD1 ILE A 2 3.429 2.269 -5.966 1.00 0.00 C ATOM 0 H ILE A 2 2.734 0.050 -3.763 1.00 0.00 H new ATOM 0 HA ILE A 2 0.040 0.366 -4.789 1.00 0.00 H new ATOM 0 HB ILE A 2 2.726 -0.064 -6.068 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.369 2.453 -6.575 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.582 2.198 -4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.619 0.525 -8.181 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.994 -0.995 -7.499 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.042 0.502 -7.357 1.00 0.00 H new ATOM 0 HD11 ILE A 2 3.551 3.343 -5.822 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.004 1.734 -5.211 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.787 1.993 -6.958 1.00 0.00 H new ATOM 37 N GLU A 3 -0.530 -1.859 -5.773 1.00 0.00 N ATOM 38 CA GLU A 3 -1.021 -3.198 -6.050 1.00 0.00 C ATOM 39 C GLU A 3 -2.135 -3.149 -7.098 1.00 0.00 C ATOM 40 O GLU A 3 -3.085 -2.379 -6.964 1.00 0.00 O ATOM 41 CB GLU A 3 -1.503 -3.881 -4.769 1.00 0.00 C ATOM 42 CG GLU A 3 -2.338 -2.922 -3.917 1.00 0.00 C ATOM 43 CD GLU A 3 -3.796 -3.381 -3.846 1.00 0.00 C ATOM 44 OE1 GLU A 3 -4.277 -4.063 -4.762 1.00 0.00 O ATOM 45 OE2 GLU A 3 -4.435 -3.003 -2.791 1.00 0.00 O ATOM 0 H GLU A 3 -1.100 -1.107 -6.161 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.198 -3.790 -6.451 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -2.097 -4.759 -5.022 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -0.645 -4.231 -4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -1.921 -2.866 -2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.289 -1.918 -4.339 1.00 0.00 H new ATOM 53 N ASP A 4 -1.982 -3.981 -8.118 1.00 0.00 N ATOM 54 CA ASP A 4 -2.963 -4.042 -9.188 1.00 0.00 C ATOM 55 C ASP A 4 -3.276 -2.623 -9.669 1.00 0.00 C ATOM 56 O ASP A 4 -4.399 -2.146 -9.516 1.00 0.00 O ATOM 57 CB ASP A 4 -4.268 -4.675 -8.703 1.00 0.00 C ATOM 58 CG ASP A 4 -5.357 -4.810 -9.769 1.00 0.00 C ATOM 59 OD1 ASP A 4 -6.120 -3.867 -10.025 1.00 0.00 O ATOM 60 OD2 ASP A 4 -5.405 -5.957 -10.357 1.00 0.00 O ATOM 0 H ASP A 4 -1.193 -4.619 -8.226 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.546 -4.647 -9.993 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.047 -5.665 -8.303 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.659 -4.078 -7.879 1.00 0.00 H new ATOM 66 N PRO A 5 -2.235 -1.972 -10.254 1.00 0.00 N ATOM 67 CA PRO A 5 -2.388 -0.618 -10.758 1.00 0.00 C ATOM 68 C PRO A 5 -3.178 -0.606 -12.068 1.00 0.00 C ATOM 69 O PRO A 5 -3.857 -1.578 -12.397 1.00 0.00 O ATOM 70 CB PRO A 5 -0.970 -0.094 -10.915 1.00 0.00 C ATOM 71 CG PRO A 5 -0.073 -1.320 -10.938 1.00 0.00 C ATOM 72 CD PRO A 5 -0.891 -2.506 -10.452 1.00 0.00 C ATOM 0 HA PRO A 5 -2.962 0.019 -10.085 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.866 0.483 -11.834 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.705 0.568 -10.091 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.300 -1.501 -11.946 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.797 -1.169 -10.299 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.890 -3.314 -11.183 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.486 -2.913 -9.526 1.00 0.00 H new ATOM 80 N MET A 6 -3.064 0.505 -12.781 1.00 0.00 N ATOM 81 CA MET A 6 -3.759 0.656 -14.048 1.00 0.00 C ATOM 82 C MET A 6 -3.670 2.097 -14.554 1.00 0.00 C ATOM 83 O MET A 6 -2.978 2.373 -15.533 1.00 0.00 O ATOM 84 CB MET A 6 -5.228 0.265 -13.875 1.00 0.00 C ATOM 85 CG MET A 6 -5.622 -0.837 -14.860 1.00 0.00 C ATOM 86 SD MET A 6 -7.400 -0.973 -14.944 1.00 0.00 S ATOM 87 CE MET A 6 -7.564 -2.727 -15.230 1.00 0.00 C ATOM 0 H MET A 6 -2.501 1.309 -12.505 1.00 0.00 H new ATOM 0 HA MET A 6 -3.284 0.004 -14.781 1.00 0.00 H new ATOM 0 HB2 MET A 6 -5.399 -0.077 -12.854 1.00 0.00 H new ATOM 0 HB3 MET A 6 -5.861 1.139 -14.029 1.00 0.00 H new ATOM 0 HG2 MET A 6 -5.219 -0.614 -15.848 1.00 0.00 H new ATOM 0 HG3 MET A 6 -5.191 -1.788 -14.547 1.00 0.00 H new ATOM 0 HE1 MET A 6 -8.620 -2.986 -15.308 1.00 0.00 H new ATOM 0 HE2 MET A 6 -7.055 -2.994 -16.156 1.00 0.00 H new ATOM 0 HE3 MET A 6 -7.117 -3.274 -14.400 1.00 0.00 H new ATOM 97 N GLU A 7 -4.380 2.977 -13.864 1.00 0.00 N ATOM 98 CA GLU A 7 -4.390 4.383 -14.231 1.00 0.00 C ATOM 99 C GLU A 7 -4.643 5.252 -12.998 1.00 0.00 C ATOM 100 O GLU A 7 -5.598 6.028 -12.966 1.00 0.00 O ATOM 101 CB GLU A 7 -5.429 4.658 -15.319 1.00 0.00 C ATOM 102 CG GLU A 7 -5.462 3.525 -16.346 1.00 0.00 C ATOM 103 CD GLU A 7 -6.480 3.814 -17.451 1.00 0.00 C ATOM 104 OE1 GLU A 7 -7.588 4.293 -17.163 1.00 0.00 O ATOM 105 OE2 GLU A 7 -6.087 3.525 -18.645 1.00 0.00 O ATOM 0 H GLU A 7 -4.953 2.744 -13.053 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.411 4.639 -14.637 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.414 4.771 -14.866 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.198 5.599 -15.818 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.472 3.397 -16.784 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.715 2.588 -15.850 1.00 0.00 H new ATOM 113 N ASN A 8 -3.773 5.093 -12.012 1.00 0.00 N ATOM 114 CA ASN A 8 -3.890 5.853 -10.779 1.00 0.00 C ATOM 115 C ASN A 8 -3.062 7.135 -10.895 1.00 0.00 C ATOM 116 O ASN A 8 -2.644 7.700 -9.886 1.00 0.00 O ATOM 117 CB ASN A 8 -3.362 5.054 -9.587 1.00 0.00 C ATOM 118 CG ASN A 8 -3.535 3.551 -9.814 1.00 0.00 C ATOM 119 OD1 ASN A 8 -2.614 2.844 -10.188 1.00 0.00 O ATOM 120 ND2 ASN A 8 -4.763 3.105 -9.567 1.00 0.00 N ATOM 0 H ASN A 8 -2.983 4.448 -12.042 1.00 0.00 H new ATOM 0 HA ASN A 8 -4.944 6.080 -10.621 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.308 5.283 -9.430 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.891 5.352 -8.682 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.980 2.116 -9.688 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.488 3.752 -9.256 1.00 0.00 H new ATOM 127 N ASN A 9 -2.851 7.555 -12.133 1.00 0.00 N ATOM 128 CA ASN A 9 -2.080 8.759 -12.393 1.00 0.00 C ATOM 129 C ASN A 9 -2.987 9.982 -12.243 1.00 0.00 C ATOM 130 O ASN A 9 -2.505 11.096 -12.044 1.00 0.00 O ATOM 131 CB ASN A 9 -1.519 8.758 -13.816 1.00 0.00 C ATOM 132 CG ASN A 9 -0.728 10.037 -14.096 1.00 0.00 C ATOM 133 OD1 ASN A 9 -1.125 10.885 -14.878 1.00 0.00 O ATOM 134 ND2 ASN A 9 0.410 10.129 -13.414 1.00 0.00 N ATOM 0 H ASN A 9 -3.200 7.083 -12.967 1.00 0.00 H new ATOM 0 HA ASN A 9 -1.255 8.792 -11.681 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -0.875 7.890 -13.956 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.336 8.667 -14.532 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.009 10.946 -13.530 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.683 9.382 -12.775 1.00 0.00 H new ATOM 141 N GLU A 10 -4.284 9.733 -12.346 1.00 0.00 N ATOM 142 CA GLU A 10 -5.263 10.800 -12.224 1.00 0.00 C ATOM 143 C GLU A 10 -5.299 11.327 -10.788 1.00 0.00 C ATOM 144 O GLU A 10 -5.145 12.525 -10.559 1.00 0.00 O ATOM 145 CB GLU A 10 -6.648 10.327 -12.670 1.00 0.00 C ATOM 146 CG GLU A 10 -7.379 11.424 -13.446 1.00 0.00 C ATOM 147 CD GLU A 10 -7.983 10.871 -14.739 1.00 0.00 C ATOM 148 OE1 GLU A 10 -7.357 10.962 -15.805 1.00 0.00 O ATOM 149 OE2 GLU A 10 -9.147 10.330 -14.609 1.00 0.00 O ATOM 0 H GLU A 10 -4.680 8.808 -12.513 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.965 11.617 -12.882 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.549 9.439 -13.295 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.236 10.040 -11.798 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.167 11.850 -12.825 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.686 12.232 -13.680 1.00 0.00 H new ATOM 157 N ILE A 11 -5.504 10.405 -9.859 1.00 0.00 N ATOM 158 CA ILE A 11 -5.562 10.761 -8.451 1.00 0.00 C ATOM 159 C ILE A 11 -4.254 11.444 -8.048 1.00 0.00 C ATOM 160 O ILE A 11 -4.223 12.221 -7.096 1.00 0.00 O ATOM 161 CB ILE A 11 -5.904 9.536 -7.602 1.00 0.00 C ATOM 162 CG1 ILE A 11 -4.879 8.420 -7.812 1.00 0.00 C ATOM 163 CG2 ILE A 11 -7.333 9.060 -7.876 1.00 0.00 C ATOM 164 CD1 ILE A 11 -5.491 7.049 -7.515 1.00 0.00 C ATOM 0 H ILE A 11 -5.632 9.412 -10.053 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.364 11.477 -8.272 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.856 9.824 -6.552 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.515 8.445 -8.839 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.018 8.586 -7.164 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.550 8.188 -7.259 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.035 9.859 -7.636 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.432 8.794 -8.928 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.741 6.274 -7.672 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.832 7.019 -6.480 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.336 6.876 -8.181 1.00 0.00 H new ATOM 176 N GLN A 12 -3.205 11.127 -8.793 1.00 0.00 N ATOM 177 CA GLN A 12 -1.897 11.700 -8.525 1.00 0.00 C ATOM 178 C GLN A 12 -1.825 13.133 -9.057 1.00 0.00 C ATOM 179 O GLN A 12 -1.460 14.053 -8.327 1.00 0.00 O ATOM 180 CB GLN A 12 -0.786 10.836 -9.125 1.00 0.00 C ATOM 181 CG GLN A 12 0.549 11.093 -8.424 1.00 0.00 C ATOM 182 CD GLN A 12 1.621 11.526 -9.426 1.00 0.00 C ATOM 183 OE1 GLN A 12 1.343 11.861 -10.566 1.00 0.00 O ATOM 184 NE2 GLN A 12 2.859 11.499 -8.940 1.00 0.00 N ATOM 0 H GLN A 12 -3.234 10.481 -9.582 1.00 0.00 H new ATOM 0 HA GLN A 12 -1.749 11.726 -7.445 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.051 9.783 -9.035 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.689 11.050 -10.189 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.422 11.865 -7.665 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.873 10.189 -7.908 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.022 11.208 -7.976 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.645 11.769 -9.531 1.00 0.00 H new ATOM 193 N SER A 13 -2.179 13.277 -10.326 1.00 0.00 N ATOM 194 CA SER A 13 -2.160 14.582 -10.964 1.00 0.00 C ATOM 195 C SER A 13 -3.160 15.515 -10.279 1.00 0.00 C ATOM 196 O SER A 13 -2.978 16.731 -10.276 1.00 0.00 O ATOM 197 CB SER A 13 -2.476 14.469 -12.457 1.00 0.00 C ATOM 198 OG SER A 13 -2.143 15.660 -13.165 1.00 0.00 O ATOM 0 H SER A 13 -2.480 12.512 -10.929 1.00 0.00 H new ATOM 0 HA SER A 13 -1.158 14.998 -10.862 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.926 13.629 -12.881 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.537 14.254 -12.588 1.00 0.00 H new ATOM 0 HG SER A 13 -2.358 15.547 -14.114 1.00 0.00 H new ATOM 204 N VAL A 14 -4.194 14.910 -9.715 1.00 0.00 N ATOM 205 CA VAL A 14 -5.224 15.671 -9.027 1.00 0.00 C ATOM 206 C VAL A 14 -4.722 16.056 -7.634 1.00 0.00 C ATOM 207 O VAL A 14 -4.839 17.211 -7.226 1.00 0.00 O ATOM 208 CB VAL A 14 -6.529 14.875 -8.994 1.00 0.00 C ATOM 209 CG1 VAL A 14 -7.570 15.565 -8.110 1.00 0.00 C ATOM 210 CG2 VAL A 14 -7.071 14.650 -10.407 1.00 0.00 C ATOM 0 H VAL A 14 -4.341 13.901 -9.720 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.438 16.596 -9.563 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.315 13.899 -8.559 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.489 14.978 -8.104 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.186 15.649 -7.093 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.778 16.561 -8.502 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.999 14.081 -10.354 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.261 15.613 -10.881 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.339 14.095 -10.994 1.00 0.00 H new ATOM 220 N LEU A 15 -4.174 15.068 -6.943 1.00 0.00 N ATOM 221 CA LEU A 15 -3.655 15.289 -5.604 1.00 0.00 C ATOM 222 C LEU A 15 -2.590 16.386 -5.650 1.00 0.00 C ATOM 223 O LEU A 15 -2.471 17.180 -4.718 1.00 0.00 O ATOM 224 CB LEU A 15 -3.158 13.974 -4.998 1.00 0.00 C ATOM 225 CG LEU A 15 -2.369 14.093 -3.693 1.00 0.00 C ATOM 226 CD1 LEU A 15 -3.062 15.048 -2.719 1.00 0.00 C ATOM 227 CD2 LEU A 15 -2.127 12.716 -3.071 1.00 0.00 C ATOM 0 H LEU A 15 -4.078 14.112 -7.285 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.446 15.639 -4.941 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.019 13.330 -4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.530 13.472 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.392 14.519 -3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.481 15.115 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.140 16.036 -3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.060 14.674 -2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.564 12.829 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.084 12.240 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.560 12.097 -3.767 1.00 0.00 H new ATOM 239 N MET A 16 -1.842 16.395 -6.744 1.00 0.00 N ATOM 240 CA MET A 16 -0.791 17.382 -6.923 1.00 0.00 C ATOM 241 C MET A 16 -1.351 18.680 -7.508 1.00 0.00 C ATOM 242 O MET A 16 -0.907 19.770 -7.148 1.00 0.00 O ATOM 243 CB MET A 16 0.282 16.821 -7.859 1.00 0.00 C ATOM 244 CG MET A 16 1.355 16.066 -7.073 1.00 0.00 C ATOM 245 SD MET A 16 0.821 14.390 -6.766 1.00 0.00 S ATOM 246 CE MET A 16 2.330 13.700 -6.107 1.00 0.00 C ATOM 0 H MET A 16 -1.943 15.735 -7.515 1.00 0.00 H new ATOM 0 HA MET A 16 -0.356 17.603 -5.948 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.178 16.153 -8.587 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.742 17.635 -8.420 1.00 0.00 H new ATOM 0 HG2 MET A 16 2.291 16.062 -7.631 1.00 0.00 H new ATOM 0 HG3 MET A 16 1.550 16.573 -6.128 1.00 0.00 H new ATOM 0 HE1 MET A 16 2.340 12.623 -6.272 1.00 0.00 H new ATOM 0 HE2 MET A 16 3.186 14.151 -6.609 1.00 0.00 H new ATOM 0 HE3 MET A 16 2.387 13.904 -5.038 1.00 0.00 H new ATOM 256 N ASN A 17 -2.318 18.521 -8.400 1.00 0.00 N ATOM 257 CA ASN A 17 -2.943 19.667 -9.038 1.00 0.00 C ATOM 258 C ASN A 17 -3.674 20.497 -7.981 1.00 0.00 C ATOM 259 O ASN A 17 -3.779 21.716 -8.108 1.00 0.00 O ATOM 260 CB ASN A 17 -3.969 19.223 -10.083 1.00 0.00 C ATOM 261 CG ASN A 17 -3.308 19.017 -11.447 1.00 0.00 C ATOM 262 OD1 ASN A 17 -2.258 19.562 -11.745 1.00 0.00 O ATOM 263 ND2 ASN A 17 -3.979 18.203 -12.256 1.00 0.00 N ATOM 0 H ASN A 17 -2.684 17.616 -8.696 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.162 20.251 -9.525 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.443 18.296 -9.761 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.756 19.972 -10.166 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.620 18.002 -13.189 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.853 17.780 -11.943 1.00 0.00 H new ATOM 270 N ALA A 18 -4.161 19.805 -6.962 1.00 0.00 N ATOM 271 CA ALA A 18 -4.879 20.463 -5.884 1.00 0.00 C ATOM 272 C ALA A 18 -3.877 20.969 -4.844 1.00 0.00 C ATOM 273 O ALA A 18 -3.955 22.116 -4.408 1.00 0.00 O ATOM 274 CB ALA A 18 -5.902 19.496 -5.286 1.00 0.00 C ATOM 0 H ALA A 18 -4.072 18.794 -6.860 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.428 21.326 -6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.440 19.990 -4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.608 19.190 -6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.388 18.618 -4.896 1.00 0.00 H new ATOM 280 N LEU A 19 -2.958 20.088 -4.477 1.00 0.00 N ATOM 281 CA LEU A 19 -1.942 20.430 -3.497 1.00 0.00 C ATOM 282 C LEU A 19 -0.635 19.718 -3.852 1.00 0.00 C ATOM 283 O LEU A 19 -0.100 19.903 -4.944 1.00 0.00 O ATOM 284 CB LEU A 19 -2.440 20.131 -2.082 1.00 0.00 C ATOM 285 CG LEU A 19 -1.765 20.914 -0.953 1.00 0.00 C ATOM 286 CD1 LEU A 19 -0.283 21.143 -1.256 1.00 0.00 C ATOM 287 CD2 LEU A 19 -2.504 22.225 -0.677 1.00 0.00 C ATOM 0 H LEU A 19 -2.896 19.137 -4.841 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.738 21.500 -3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.511 20.330 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.307 19.067 -1.889 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.819 20.317 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.173 21.701 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.219 20.182 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.184 21.709 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.004 22.762 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.503 22.840 -1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.532 22.009 -0.386 1.00 0.00 H new ATOM 299 N SER A 20 -0.160 18.918 -2.909 1.00 0.00 N ATOM 300 CA SER A 20 1.074 18.176 -3.109 1.00 0.00 C ATOM 301 C SER A 20 1.650 17.744 -1.759 1.00 0.00 C ATOM 302 O SER A 20 0.977 17.842 -0.734 1.00 0.00 O ATOM 303 CB SER A 20 2.099 19.010 -3.881 1.00 0.00 C ATOM 304 OG SER A 20 2.174 18.629 -5.252 1.00 0.00 O ATOM 0 H SER A 20 -0.607 18.767 -2.005 1.00 0.00 H new ATOM 0 HA SER A 20 0.848 17.289 -3.701 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.834 20.065 -3.812 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.080 18.897 -3.419 1.00 0.00 H new ATOM 0 HG SER A 20 1.369 18.934 -5.721 1.00 0.00 H new ATOM 310 N LEU A 21 2.888 17.275 -1.803 1.00 0.00 N ATOM 311 CA LEU A 21 3.562 16.828 -0.595 1.00 0.00 C ATOM 312 C LEU A 21 4.929 16.250 -0.964 1.00 0.00 C ATOM 313 O LEU A 21 5.915 16.484 -0.267 1.00 0.00 O ATOM 314 CB LEU A 21 2.674 15.857 0.185 1.00 0.00 C ATOM 315 CG LEU A 21 2.436 16.200 1.657 1.00 0.00 C ATOM 316 CD1 LEU A 21 1.273 17.183 1.810 1.00 0.00 C ATOM 317 CD2 LEU A 21 2.230 14.933 2.489 1.00 0.00 C ATOM 0 H LEU A 21 3.442 17.195 -2.656 1.00 0.00 H new ATOM 0 HA LEU A 21 3.741 17.669 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.707 15.799 -0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.121 14.864 0.132 1.00 0.00 H new ATOM 0 HG LEU A 21 3.328 16.695 2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.125 17.410 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.500 18.102 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.365 16.738 1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.063 15.205 3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.364 14.388 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.116 14.302 2.416 1.00 0.00 H new ATOM 329 N GLN A 22 4.945 15.505 -2.060 1.00 0.00 N ATOM 330 CA GLN A 22 6.176 14.892 -2.530 1.00 0.00 C ATOM 331 C GLN A 22 5.862 13.690 -3.423 1.00 0.00 C ATOM 332 O GLN A 22 6.033 13.754 -4.639 1.00 0.00 O ATOM 333 CB GLN A 22 7.068 14.484 -1.356 1.00 0.00 C ATOM 334 CG GLN A 22 8.185 15.507 -1.135 1.00 0.00 C ATOM 335 CD GLN A 22 9.559 14.836 -1.173 1.00 0.00 C ATOM 336 OE1 GLN A 22 9.790 13.875 -1.889 1.00 0.00 O ATOM 337 NE2 GLN A 22 10.456 15.393 -0.365 1.00 0.00 N ATOM 0 H GLN A 22 4.125 15.312 -2.636 1.00 0.00 H new ATOM 0 HA GLN A 22 6.723 15.627 -3.121 1.00 0.00 H new ATOM 0 HB2 GLN A 22 6.467 14.396 -0.451 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.502 13.502 -1.548 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.132 16.279 -1.902 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.045 16.002 -0.174 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.197 16.196 0.208 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.403 15.017 -0.318 1.00 0.00 H new ATOM 346 N GLU A 23 5.409 12.621 -2.785 1.00 0.00 N ATOM 347 CA GLU A 23 5.070 11.406 -3.506 1.00 0.00 C ATOM 348 C GLU A 23 3.589 11.072 -3.317 1.00 0.00 C ATOM 349 O GLU A 23 2.874 11.782 -2.611 1.00 0.00 O ATOM 350 CB GLU A 23 5.956 10.240 -3.064 1.00 0.00 C ATOM 351 CG GLU A 23 6.712 9.643 -4.253 1.00 0.00 C ATOM 352 CD GLU A 23 8.178 9.387 -3.898 1.00 0.00 C ATOM 353 OE1 GLU A 23 8.552 9.458 -2.717 1.00 0.00 O ATOM 354 OE2 GLU A 23 8.940 9.105 -4.900 1.00 0.00 O ATOM 0 H GLU A 23 5.269 12.571 -1.776 1.00 0.00 H new ATOM 0 HA GLU A 23 5.252 11.575 -4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.667 10.583 -2.312 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.343 9.470 -2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.239 8.709 -4.557 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.653 10.322 -5.104 1.00 0.00 H new ATOM 362 N VAL A 24 3.173 9.990 -3.959 1.00 0.00 N ATOM 363 CA VAL A 24 1.790 9.553 -3.870 1.00 0.00 C ATOM 364 C VAL A 24 1.747 8.108 -3.370 1.00 0.00 C ATOM 365 O VAL A 24 2.757 7.406 -3.402 1.00 0.00 O ATOM 366 CB VAL A 24 1.094 9.740 -5.220 1.00 0.00 C ATOM 367 CG1 VAL A 24 0.985 8.410 -5.968 1.00 0.00 C ATOM 368 CG2 VAL A 24 -0.282 10.384 -5.043 1.00 0.00 C ATOM 0 H VAL A 24 3.769 9.403 -4.543 1.00 0.00 H new ATOM 0 HA VAL A 24 1.243 10.162 -3.150 1.00 0.00 H new ATOM 0 HB VAL A 24 1.704 10.414 -5.821 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.487 8.570 -6.924 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.983 8.007 -6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.408 7.703 -5.372 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.755 10.506 -6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.904 9.746 -4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.169 11.360 -4.570 1.00 0.00 H new ATOM 378 N HIS A 25 0.568 7.706 -2.919 1.00 0.00 N ATOM 379 CA HIS A 25 0.381 6.357 -2.413 1.00 0.00 C ATOM 380 C HIS A 25 -1.089 5.955 -2.555 1.00 0.00 C ATOM 381 O HIS A 25 -1.868 6.096 -1.614 1.00 0.00 O ATOM 382 CB HIS A 25 0.891 6.240 -0.975 1.00 0.00 C ATOM 383 CG HIS A 25 1.886 5.124 -0.765 1.00 0.00 C ATOM 384 ND1 HIS A 25 2.828 5.140 0.249 1.00 0.00 N ATOM 385 CD2 HIS A 25 2.076 3.959 -1.449 1.00 0.00 C ATOM 386 CE1 HIS A 25 3.547 4.030 0.169 1.00 0.00 C ATOM 387 NE2 HIS A 25 3.080 3.300 -0.884 1.00 0.00 N ATOM 0 H HIS A 25 -0.267 8.291 -2.893 1.00 0.00 H new ATOM 0 HA HIS A 25 0.972 5.658 -3.004 1.00 0.00 H new ATOM 0 HB2 HIS A 25 1.353 7.184 -0.686 1.00 0.00 H new ATOM 0 HB3 HIS A 25 0.041 6.085 -0.310 1.00 0.00 H new ATOM 0 HD1 HIS A 25 2.948 5.880 0.940 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.506 3.629 -2.305 1.00 0.00 H new ATOM 0 HE1 HIS A 25 4.360 3.752 0.823 1.00 0.00 H new ATOM 395 N VAL A 26 -1.422 5.462 -3.738 1.00 0.00 N ATOM 396 CA VAL A 26 -2.784 5.038 -4.016 1.00 0.00 C ATOM 397 C VAL A 26 -2.921 3.545 -3.715 1.00 0.00 C ATOM 398 O VAL A 26 -2.260 2.718 -4.342 1.00 0.00 O ATOM 399 CB VAL A 26 -3.160 5.395 -5.456 1.00 0.00 C ATOM 400 CG1 VAL A 26 -2.735 6.825 -5.795 1.00 0.00 C ATOM 401 CG2 VAL A 26 -2.558 4.394 -6.443 1.00 0.00 C ATOM 0 H VAL A 26 -0.772 5.346 -4.516 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.487 5.565 -3.371 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.245 5.340 -5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.014 7.053 -6.824 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.233 7.522 -5.121 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.655 6.920 -5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.840 4.670 -7.459 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.472 4.403 -6.353 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.932 3.395 -6.222 1.00 0.00 H new ATOM 411 N SER A 27 -3.783 3.243 -2.754 1.00 0.00 N ATOM 412 CA SER A 27 -4.014 1.864 -2.362 1.00 0.00 C ATOM 413 C SER A 27 -5.513 1.556 -2.389 1.00 0.00 C ATOM 414 O SER A 27 -6.338 2.460 -2.264 1.00 0.00 O ATOM 415 CB SER A 27 -3.439 1.582 -0.973 1.00 0.00 C ATOM 416 OG SER A 27 -4.216 2.184 0.059 1.00 0.00 O ATOM 0 H SER A 27 -4.330 3.931 -2.236 1.00 0.00 H new ATOM 0 HA SER A 27 -3.504 1.216 -3.075 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.394 0.505 -0.811 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.416 1.955 -0.921 1.00 0.00 H new ATOM 0 HG SER A 27 -3.621 2.624 0.702 1.00 0.00 H new ATOM 422 N GLY A 28 -5.819 0.278 -2.552 1.00 0.00 N ATOM 423 CA GLY A 28 -7.204 -0.160 -2.597 1.00 0.00 C ATOM 424 C GLY A 28 -7.466 -1.027 -3.830 1.00 0.00 C ATOM 425 O GLY A 28 -6.530 -1.536 -4.445 1.00 0.00 O ATOM 0 H GLY A 28 -5.132 -0.469 -2.655 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.440 -0.724 -1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.863 0.708 -2.612 1.00 0.00 H new ATOM 429 N ASP A 29 -8.743 -1.167 -4.155 1.00 0.00 N ATOM 430 CA ASP A 29 -9.139 -1.963 -5.304 1.00 0.00 C ATOM 431 C ASP A 29 -10.615 -2.343 -5.171 1.00 0.00 C ATOM 432 O ASP A 29 -11.124 -2.489 -4.061 1.00 0.00 O ATOM 433 CB ASP A 29 -8.324 -3.255 -5.387 1.00 0.00 C ATOM 434 CG ASP A 29 -7.253 -3.275 -6.479 1.00 0.00 C ATOM 435 OD1 ASP A 29 -6.866 -4.344 -6.974 1.00 0.00 O ATOM 436 OD2 ASP A 29 -6.805 -2.116 -6.824 1.00 0.00 O ATOM 0 H ASP A 29 -9.516 -0.743 -3.643 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.965 -1.369 -6.201 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.843 -3.426 -4.424 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.007 -4.088 -5.554 1.00 0.00 H new ATOM 442 N GLY A 30 -11.261 -2.492 -6.318 1.00 0.00 N ATOM 443 CA GLY A 30 -12.668 -2.853 -6.343 1.00 0.00 C ATOM 444 C GLY A 30 -13.534 -1.656 -6.744 1.00 0.00 C ATOM 445 O GLY A 30 -14.581 -1.824 -7.367 1.00 0.00 O ATOM 0 H GLY A 30 -10.836 -2.369 -7.237 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.825 -3.671 -7.046 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.972 -3.214 -5.360 1.00 0.00 H new ATOM 449 N SER A 31 -13.064 -0.475 -6.370 1.00 0.00 N ATOM 450 CA SER A 31 -13.781 0.749 -6.683 1.00 0.00 C ATOM 451 C SER A 31 -13.454 1.827 -5.647 1.00 0.00 C ATOM 452 O SER A 31 -13.628 3.016 -5.907 1.00 0.00 O ATOM 453 CB SER A 31 -15.291 0.505 -6.735 1.00 0.00 C ATOM 454 OG SER A 31 -15.742 0.239 -8.060 1.00 0.00 O ATOM 0 H SER A 31 -12.195 -0.340 -5.853 1.00 0.00 H new ATOM 0 HA SER A 31 -13.461 1.090 -7.667 1.00 0.00 H new ATOM 0 HB2 SER A 31 -15.545 -0.336 -6.090 1.00 0.00 H new ATOM 0 HB3 SER A 31 -15.813 1.377 -6.342 1.00 0.00 H new ATOM 0 HG SER A 31 -15.542 -0.692 -8.293 1.00 0.00 H new ATOM 460 N HIS A 32 -12.985 1.371 -4.494 1.00 0.00 N ATOM 461 CA HIS A 32 -12.632 2.281 -3.418 1.00 0.00 C ATOM 462 C HIS A 32 -11.129 2.195 -3.145 1.00 0.00 C ATOM 463 O HIS A 32 -10.595 1.109 -2.928 1.00 0.00 O ATOM 464 CB HIS A 32 -13.477 2.005 -2.173 1.00 0.00 C ATOM 465 CG HIS A 32 -12.949 0.885 -1.308 1.00 0.00 C ATOM 466 ND1 HIS A 32 -13.312 -0.438 -1.491 1.00 0.00 N ATOM 467 CD2 HIS A 32 -12.081 0.905 -0.256 1.00 0.00 C ATOM 468 CE1 HIS A 32 -12.686 -1.173 -0.583 1.00 0.00 C ATOM 469 NE2 HIS A 32 -11.924 -0.338 0.182 1.00 0.00 N ATOM 0 H HIS A 32 -12.842 0.384 -4.282 1.00 0.00 H new ATOM 0 HA HIS A 32 -12.854 3.306 -3.717 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -13.534 2.915 -1.576 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -14.494 1.763 -2.483 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -11.603 1.783 0.151 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -12.765 -2.244 -0.469 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -11.331 -0.622 0.962 1.00 0.00 H new ATOM 477 N PHE A 33 -10.489 3.355 -3.167 1.00 0.00 N ATOM 478 CA PHE A 33 -9.058 3.425 -2.925 1.00 0.00 C ATOM 479 C PHE A 33 -8.690 4.707 -2.176 1.00 0.00 C ATOM 480 O PHE A 33 -9.355 5.731 -2.328 1.00 0.00 O ATOM 481 CB PHE A 33 -8.373 3.432 -4.293 1.00 0.00 C ATOM 482 CG PHE A 33 -9.231 2.858 -5.422 1.00 0.00 C ATOM 483 CD1 PHE A 33 -10.287 3.569 -5.901 1.00 0.00 C ATOM 484 CD2 PHE A 33 -8.938 1.638 -5.945 1.00 0.00 C ATOM 485 CE1 PHE A 33 -11.084 3.036 -6.949 1.00 0.00 C ATOM 486 CE2 PHE A 33 -9.735 1.105 -6.993 1.00 0.00 C ATOM 487 CZ PHE A 33 -10.791 1.815 -7.473 1.00 0.00 C ATOM 0 H PHE A 33 -10.935 4.254 -3.349 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.742 2.578 -2.316 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.098 4.456 -4.545 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.447 2.860 -4.227 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -10.519 4.538 -5.485 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.099 1.074 -5.564 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.923 3.600 -7.330 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -9.502 0.136 -7.409 1.00 0.00 H new ATOM 0 HZ PHE A 33 -11.397 1.410 -8.270 1.00 0.00 H new ATOM 497 N GLN A 34 -7.632 4.610 -1.384 1.00 0.00 N ATOM 498 CA GLN A 34 -7.168 5.750 -0.612 1.00 0.00 C ATOM 499 C GLN A 34 -5.925 6.360 -1.261 1.00 0.00 C ATOM 500 O GLN A 34 -4.929 5.671 -1.474 1.00 0.00 O ATOM 501 CB GLN A 34 -6.889 5.352 0.839 1.00 0.00 C ATOM 502 CG GLN A 34 -7.365 6.437 1.807 1.00 0.00 C ATOM 503 CD GLN A 34 -6.824 7.809 1.400 1.00 0.00 C ATOM 504 OE1 GLN A 34 -7.318 8.455 0.491 1.00 0.00 O ATOM 505 NE2 GLN A 34 -5.785 8.217 2.123 1.00 0.00 N ATOM 0 H GLN A 34 -7.083 3.759 -1.260 1.00 0.00 H new ATOM 0 HA GLN A 34 -7.956 6.503 -0.603 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.392 4.412 1.065 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.821 5.182 0.974 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.455 6.462 1.824 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.036 6.197 2.818 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.420 7.626 2.870 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.353 9.121 1.930 1.00 0.00 H new ATOM 514 N VAL A 35 -6.024 7.648 -1.559 1.00 0.00 N ATOM 515 CA VAL A 35 -4.920 8.359 -2.180 1.00 0.00 C ATOM 516 C VAL A 35 -4.144 9.125 -1.107 1.00 0.00 C ATOM 517 O VAL A 35 -4.501 10.250 -0.762 1.00 0.00 O ATOM 518 CB VAL A 35 -5.443 9.263 -3.299 1.00 0.00 C ATOM 519 CG1 VAL A 35 -4.326 10.146 -3.858 1.00 0.00 C ATOM 520 CG2 VAL A 35 -6.097 8.438 -4.409 1.00 0.00 C ATOM 0 H VAL A 35 -6.852 8.217 -1.382 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.227 7.657 -2.644 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.205 9.916 -2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.725 10.778 -4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.925 10.773 -3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.532 9.517 -4.260 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.460 9.104 -5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.365 7.749 -4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.933 7.872 -3.997 1.00 0.00 H new ATOM 530 N ILE A 36 -3.096 8.484 -0.610 1.00 0.00 N ATOM 531 CA ILE A 36 -2.267 9.091 0.417 1.00 0.00 C ATOM 532 C ILE A 36 -1.095 9.820 -0.244 1.00 0.00 C ATOM 533 O ILE A 36 -0.338 9.222 -1.006 1.00 0.00 O ATOM 534 CB ILE A 36 -1.837 8.044 1.447 1.00 0.00 C ATOM 535 CG1 ILE A 36 -2.553 8.261 2.782 1.00 0.00 C ATOM 536 CG2 ILE A 36 -0.316 8.027 1.609 1.00 0.00 C ATOM 537 CD1 ILE A 36 -2.479 7.007 3.654 1.00 0.00 C ATOM 0 H ILE A 36 -2.802 7.551 -0.899 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.835 9.837 0.973 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.133 7.062 1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.101 9.102 3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.596 8.522 2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.037 7.274 2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.149 7.788 0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.025 9.007 1.943 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.995 7.188 4.597 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.953 6.174 3.135 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.435 6.763 3.853 1.00 0.00 H new ATOM 549 N ALA A 37 -0.983 11.102 0.072 1.00 0.00 N ATOM 550 CA ALA A 37 0.083 11.919 -0.482 1.00 0.00 C ATOM 551 C ALA A 37 1.312 11.830 0.425 1.00 0.00 C ATOM 552 O ALA A 37 1.309 12.364 1.534 1.00 0.00 O ATOM 553 CB ALA A 37 -0.412 13.356 -0.655 1.00 0.00 C ATOM 0 H ALA A 37 -1.613 11.595 0.705 1.00 0.00 H new ATOM 0 HA ALA A 37 0.374 11.554 -1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.388 13.969 -1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.267 13.367 -1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.710 13.757 0.314 1.00 0.00 H new ATOM 559 N VAL A 38 2.332 11.152 -0.079 1.00 0.00 N ATOM 560 CA VAL A 38 3.565 10.987 0.673 1.00 0.00 C ATOM 561 C VAL A 38 4.365 12.290 0.625 1.00 0.00 C ATOM 562 O VAL A 38 4.227 13.073 -0.313 1.00 0.00 O ATOM 563 CB VAL A 38 4.347 9.786 0.137 1.00 0.00 C ATOM 564 CG1 VAL A 38 5.656 9.597 0.906 1.00 0.00 C ATOM 565 CG2 VAL A 38 3.497 8.514 0.181 1.00 0.00 C ATOM 0 H VAL A 38 2.331 10.710 -0.998 1.00 0.00 H new ATOM 0 HA VAL A 38 3.349 10.777 1.720 1.00 0.00 H new ATOM 0 HB VAL A 38 4.596 9.987 -0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.192 8.737 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.272 10.490 0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.437 9.429 1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.077 7.676 -0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.203 8.308 1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.605 8.651 -0.430 1.00 0.00 H new ATOM 575 N GLY A 39 5.183 12.482 1.649 1.00 0.00 N ATOM 576 CA GLY A 39 6.005 13.677 1.736 1.00 0.00 C ATOM 577 C GLY A 39 6.341 14.007 3.192 1.00 0.00 C ATOM 578 O GLY A 39 7.222 13.388 3.786 1.00 0.00 O ATOM 0 H GLY A 39 5.294 11.830 2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.926 13.531 1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.481 14.517 1.281 1.00 0.00 H new ATOM 582 N GLU A 40 5.620 14.983 3.725 1.00 0.00 N ATOM 583 CA GLU A 40 5.830 15.403 5.100 1.00 0.00 C ATOM 584 C GLU A 40 5.335 16.837 5.298 1.00 0.00 C ATOM 585 O GLU A 40 5.096 17.265 6.427 1.00 0.00 O ATOM 586 CB GLU A 40 7.302 15.271 5.495 1.00 0.00 C ATOM 587 CG GLU A 40 7.545 13.981 6.281 1.00 0.00 C ATOM 588 CD GLU A 40 7.731 14.274 7.772 1.00 0.00 C ATOM 589 OE1 GLU A 40 7.903 15.440 8.158 1.00 0.00 O ATOM 590 OE2 GLU A 40 7.690 13.239 8.540 1.00 0.00 O ATOM 0 H GLU A 40 4.890 15.495 3.229 1.00 0.00 H new ATOM 0 HA GLU A 40 5.253 14.747 5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.924 15.279 4.600 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.599 16.130 6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.703 13.302 6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.429 13.476 5.893 1.00 0.00 H new ATOM 598 N LEU A 41 5.196 17.541 4.184 1.00 0.00 N ATOM 599 CA LEU A 41 4.735 18.918 4.221 1.00 0.00 C ATOM 600 C LEU A 41 3.646 19.058 5.287 1.00 0.00 C ATOM 601 O LEU A 41 3.771 19.866 6.206 1.00 0.00 O ATOM 602 CB LEU A 41 4.294 19.373 2.829 1.00 0.00 C ATOM 603 CG LEU A 41 3.636 20.752 2.751 1.00 0.00 C ATOM 604 CD1 LEU A 41 4.626 21.855 3.132 1.00 0.00 C ATOM 605 CD2 LEU A 41 3.018 20.988 1.371 1.00 0.00 C ATOM 0 H LEU A 41 5.395 17.183 3.250 1.00 0.00 H new ATOM 0 HA LEU A 41 5.549 19.585 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.166 19.371 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.596 18.636 2.432 1.00 0.00 H new ATOM 0 HG LEU A 41 2.824 20.784 3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.133 22.825 3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.977 21.693 4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.475 21.834 2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.557 21.975 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.795 20.929 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.261 20.228 1.177 1.00 0.00 H new ATOM 617 N PHE A 42 2.602 18.258 5.129 1.00 0.00 N ATOM 618 CA PHE A 42 1.491 18.282 6.066 1.00 0.00 C ATOM 619 C PHE A 42 1.750 17.345 7.247 1.00 0.00 C ATOM 620 O PHE A 42 0.829 16.700 7.746 1.00 0.00 O ATOM 621 CB PHE A 42 0.255 17.797 5.307 1.00 0.00 C ATOM 622 CG PHE A 42 -0.332 18.834 4.346 1.00 0.00 C ATOM 623 CD1 PHE A 42 0.458 19.411 3.403 1.00 0.00 C ATOM 624 CD2 PHE A 42 -1.645 19.178 4.437 1.00 0.00 C ATOM 625 CE1 PHE A 42 -0.086 20.373 2.512 1.00 0.00 C ATOM 626 CE2 PHE A 42 -2.190 20.140 3.546 1.00 0.00 C ATOM 627 CZ PHE A 42 -1.399 20.717 2.602 1.00 0.00 C ATOM 0 H PHE A 42 2.502 17.589 4.366 1.00 0.00 H new ATOM 0 HA PHE A 42 1.357 19.290 6.459 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.516 16.901 4.744 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.511 17.509 6.027 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.500 19.138 3.331 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.273 18.720 5.187 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.542 20.832 1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.232 20.413 3.618 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.813 21.448 1.924 1.00 0.00 H new ATOM 637 N ASP A 43 3.008 17.299 7.660 1.00 0.00 N ATOM 638 CA ASP A 43 3.400 16.451 8.773 1.00 0.00 C ATOM 639 C ASP A 43 3.198 17.213 10.085 1.00 0.00 C ATOM 640 O ASP A 43 4.166 17.555 10.763 1.00 0.00 O ATOM 641 CB ASP A 43 4.876 16.061 8.676 1.00 0.00 C ATOM 642 CG ASP A 43 5.400 15.217 9.839 1.00 0.00 C ATOM 643 OD1 ASP A 43 6.362 15.598 10.522 1.00 0.00 O ATOM 644 OD2 ASP A 43 4.769 14.109 10.037 1.00 0.00 O ATOM 0 H ASP A 43 3.769 17.835 7.244 1.00 0.00 H new ATOM 0 HA ASP A 43 2.786 15.551 8.743 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.030 15.510 7.748 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.473 16.971 8.609 1.00 0.00 H new ATOM 650 N GLY A 44 1.935 17.458 10.402 1.00 0.00 N ATOM 651 CA GLY A 44 1.595 18.173 11.620 1.00 0.00 C ATOM 652 C GLY A 44 0.299 18.968 11.445 1.00 0.00 C ATOM 653 O GLY A 44 -0.346 19.336 12.426 1.00 0.00 O ATOM 0 H GLY A 44 1.135 17.174 9.836 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.484 17.466 12.442 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.407 18.849 11.888 1.00 0.00 H new ATOM 657 N MET A 45 -0.044 19.209 10.188 1.00 0.00 N ATOM 658 CA MET A 45 -1.251 19.954 9.871 1.00 0.00 C ATOM 659 C MET A 45 -2.492 19.243 10.416 1.00 0.00 C ATOM 660 O MET A 45 -2.555 18.015 10.425 1.00 0.00 O ATOM 661 CB MET A 45 -1.375 20.106 8.354 1.00 0.00 C ATOM 662 CG MET A 45 -2.631 20.896 7.983 1.00 0.00 C ATOM 663 SD MET A 45 -2.284 22.647 8.017 1.00 0.00 S ATOM 664 CE MET A 45 -2.124 22.966 6.268 1.00 0.00 C ATOM 0 H MET A 45 0.493 18.902 9.377 1.00 0.00 H new ATOM 0 HA MET A 45 -1.182 20.936 10.338 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.493 20.613 7.963 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.410 19.121 7.888 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.974 20.604 6.990 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.436 20.663 8.680 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.905 24.022 6.109 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.313 22.362 5.861 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.056 22.709 5.765 1.00 0.00 H new ATOM 674 N SER A 46 -3.449 20.047 10.857 1.00 0.00 N ATOM 675 CA SER A 46 -4.685 19.510 11.402 1.00 0.00 C ATOM 676 C SER A 46 -5.435 18.725 10.323 1.00 0.00 C ATOM 677 O SER A 46 -5.834 19.288 9.305 1.00 0.00 O ATOM 678 CB SER A 46 -5.571 20.625 11.959 1.00 0.00 C ATOM 679 OG SER A 46 -6.499 20.138 12.924 1.00 0.00 O ATOM 0 H SER A 46 -3.394 21.065 10.848 1.00 0.00 H new ATOM 0 HA SER A 46 -4.434 18.838 12.223 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.945 21.393 12.414 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.114 21.099 11.141 1.00 0.00 H new ATOM 0 HG SER A 46 -7.108 20.860 13.186 1.00 0.00 H new ATOM 685 N ARG A 47 -5.603 17.437 10.584 1.00 0.00 N ATOM 686 CA ARG A 47 -6.298 16.569 9.649 1.00 0.00 C ATOM 687 C ARG A 47 -7.480 17.306 9.018 1.00 0.00 C ATOM 688 O ARG A 47 -7.853 17.030 7.878 1.00 0.00 O ATOM 689 CB ARG A 47 -6.807 15.305 10.344 1.00 0.00 C ATOM 690 CG ARG A 47 -6.734 14.096 9.408 1.00 0.00 C ATOM 691 CD ARG A 47 -7.929 13.165 9.622 1.00 0.00 C ATOM 692 NE ARG A 47 -7.646 12.224 10.729 1.00 0.00 N ATOM 693 CZ ARG A 47 -8.589 11.497 11.364 1.00 0.00 C ATOM 694 NH1 ARG A 47 -9.887 11.596 11.006 1.00 0.00 N ATOM 695 NH2 ARG A 47 -8.223 10.687 12.341 1.00 0.00 N ATOM 0 H ARG A 47 -5.270 16.974 11.429 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.588 16.283 8.873 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.214 15.113 11.238 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.836 15.455 10.671 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.713 14.434 8.372 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.807 13.550 9.584 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.820 13.750 9.850 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.137 12.611 8.707 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.677 12.118 11.031 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.161 12.224 10.250 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.593 11.043 11.491 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.240 10.618 12.605 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.923 10.130 12.831 1.00 0.00 H new ATOM 708 N VAL A 48 -8.038 18.231 9.786 1.00 0.00 N ATOM 709 CA VAL A 48 -9.170 19.011 9.316 1.00 0.00 C ATOM 710 C VAL A 48 -8.682 20.060 8.315 1.00 0.00 C ATOM 711 O VAL A 48 -9.189 20.141 7.198 1.00 0.00 O ATOM 712 CB VAL A 48 -9.915 19.620 10.505 1.00 0.00 C ATOM 713 CG1 VAL A 48 -9.080 20.714 11.174 1.00 0.00 C ATOM 714 CG2 VAL A 48 -11.282 20.158 10.078 1.00 0.00 C ATOM 0 H VAL A 48 -7.727 18.458 10.731 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.883 18.373 8.795 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.080 18.830 11.237 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.633 21.130 12.016 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.142 20.289 11.531 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.870 21.503 10.453 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -11.791 20.585 10.942 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.149 20.928 9.318 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.882 19.345 9.670 1.00 0.00 H new ATOM 724 N LYS A 49 -7.702 20.837 8.753 1.00 0.00 N ATOM 725 CA LYS A 49 -7.139 21.878 7.909 1.00 0.00 C ATOM 726 C LYS A 49 -6.420 21.234 6.722 1.00 0.00 C ATOM 727 O LYS A 49 -6.266 21.856 5.673 1.00 0.00 O ATOM 728 CB LYS A 49 -6.251 22.813 8.733 1.00 0.00 C ATOM 729 CG LYS A 49 -6.617 24.278 8.484 1.00 0.00 C ATOM 730 CD LYS A 49 -5.461 25.027 7.820 1.00 0.00 C ATOM 731 CE LYS A 49 -5.785 26.515 7.670 1.00 0.00 C ATOM 732 NZ LYS A 49 -5.095 27.304 8.715 1.00 0.00 N ATOM 0 H LYS A 49 -7.284 20.767 9.681 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.930 22.506 7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.359 22.583 9.793 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.205 22.647 8.476 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.502 24.333 7.850 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.871 24.759 9.429 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.556 24.907 8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.258 24.595 6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.479 26.862 6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.862 26.668 7.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.326 28.311 8.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.407 26.984 9.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.067 27.172 8.628 1.00 0.00 H new ATOM 745 N LYS A 50 -5.999 19.995 6.929 1.00 0.00 N ATOM 746 CA LYS A 50 -5.300 19.259 5.889 1.00 0.00 C ATOM 747 C LYS A 50 -6.316 18.720 4.880 1.00 0.00 C ATOM 748 O LYS A 50 -6.136 18.868 3.673 1.00 0.00 O ATOM 749 CB LYS A 50 -4.410 18.177 6.504 1.00 0.00 C ATOM 750 CG LYS A 50 -4.177 17.032 5.516 1.00 0.00 C ATOM 751 CD LYS A 50 -3.303 15.941 6.137 1.00 0.00 C ATOM 752 CE LYS A 50 -4.156 14.922 6.896 1.00 0.00 C ATOM 753 NZ LYS A 50 -3.505 14.548 8.172 1.00 0.00 N ATOM 0 H LYS A 50 -6.128 19.482 7.801 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.627 19.919 5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.453 18.610 6.796 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.875 17.791 7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.134 16.608 5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.700 17.416 4.615 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.736 15.436 5.355 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.579 16.392 6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.143 15.340 7.094 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.304 14.033 6.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.471 13.512 8.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.537 14.929 8.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.048 14.941 8.967 1.00 0.00 H new ATOM 766 N GLN A 51 -7.362 18.106 5.413 1.00 0.00 N ATOM 767 CA GLN A 51 -8.407 17.544 4.575 1.00 0.00 C ATOM 768 C GLN A 51 -9.183 18.661 3.874 1.00 0.00 C ATOM 769 O GLN A 51 -9.662 18.482 2.755 1.00 0.00 O ATOM 770 CB GLN A 51 -9.345 16.653 5.391 1.00 0.00 C ATOM 771 CG GLN A 51 -10.085 15.663 4.488 1.00 0.00 C ATOM 772 CD GLN A 51 -9.108 14.688 3.828 1.00 0.00 C ATOM 773 OE1 GLN A 51 -7.951 14.580 4.200 1.00 0.00 O ATOM 774 NE2 GLN A 51 -9.636 13.986 2.829 1.00 0.00 N ATOM 0 H GLN A 51 -7.508 17.985 6.415 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.939 16.920 3.814 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -8.773 16.108 6.142 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -10.066 17.271 5.926 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -10.818 15.108 5.074 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.636 16.207 3.721 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -10.612 14.125 2.568 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.065 13.309 2.324 1.00 0.00 H new ATOM 783 N GLN A 52 -9.284 19.789 4.562 1.00 0.00 N ATOM 784 CA GLN A 52 -9.994 20.935 4.020 1.00 0.00 C ATOM 785 C GLN A 52 -9.148 21.625 2.948 1.00 0.00 C ATOM 786 O GLN A 52 -9.676 22.083 1.935 1.00 0.00 O ATOM 787 CB GLN A 52 -10.381 21.916 5.129 1.00 0.00 C ATOM 788 CG GLN A 52 -9.272 22.944 5.362 1.00 0.00 C ATOM 789 CD GLN A 52 -9.627 23.879 6.520 1.00 0.00 C ATOM 790 OE1 GLN A 52 -10.220 23.485 7.511 1.00 0.00 O ATOM 791 NE2 GLN A 52 -9.231 25.136 6.341 1.00 0.00 N ATOM 0 H GLN A 52 -8.886 19.934 5.490 1.00 0.00 H new ATOM 0 HA GLN A 52 -10.915 20.581 3.556 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -11.306 22.427 4.861 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -10.575 21.369 6.052 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.335 22.431 5.578 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.114 23.527 4.454 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.739 25.399 5.487 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.420 25.837 7.058 1.00 0.00 H new ATOM 800 N THR A 53 -7.850 21.679 3.208 1.00 0.00 N ATOM 801 CA THR A 53 -6.926 22.305 2.278 1.00 0.00 C ATOM 802 C THR A 53 -6.592 21.348 1.131 1.00 0.00 C ATOM 803 O THR A 53 -6.237 21.785 0.038 1.00 0.00 O ATOM 804 CB THR A 53 -5.697 22.760 3.067 1.00 0.00 C ATOM 805 OG1 THR A 53 -6.151 23.902 3.789 1.00 0.00 O ATOM 806 CG2 THR A 53 -4.590 23.307 2.163 1.00 0.00 C ATOM 0 H THR A 53 -7.416 21.299 4.050 1.00 0.00 H new ATOM 0 HA THR A 53 -7.372 23.182 1.808 1.00 0.00 H new ATOM 0 HB THR A 53 -5.310 21.924 3.649 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.367 23.643 4.709 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.741 23.616 2.773 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.273 22.531 1.466 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.966 24.164 1.605 1.00 0.00 H new ATOM 814 N VAL A 54 -6.718 20.062 1.421 1.00 0.00 N ATOM 815 CA VAL A 54 -6.434 19.040 0.429 1.00 0.00 C ATOM 816 C VAL A 54 -7.690 18.785 -0.409 1.00 0.00 C ATOM 817 O VAL A 54 -7.612 18.667 -1.631 1.00 0.00 O ATOM 818 CB VAL A 54 -5.907 17.777 1.113 1.00 0.00 C ATOM 819 CG1 VAL A 54 -5.988 16.571 0.176 1.00 0.00 C ATOM 820 CG2 VAL A 54 -4.477 17.984 1.618 1.00 0.00 C ATOM 0 H VAL A 54 -7.013 19.704 2.329 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.651 19.376 -0.251 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.542 17.573 1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.607 15.687 0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.026 16.404 -0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.389 16.761 -0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.126 17.072 2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.826 18.224 0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.460 18.804 2.336 1.00 0.00 H new ATOM 830 N TYR A 55 -8.818 18.709 0.282 1.00 0.00 N ATOM 831 CA TYR A 55 -10.088 18.471 -0.382 1.00 0.00 C ATOM 832 C TYR A 55 -10.690 19.779 -0.898 1.00 0.00 C ATOM 833 O TYR A 55 -11.567 19.766 -1.761 1.00 0.00 O ATOM 834 CB TYR A 55 -11.016 17.880 0.681 1.00 0.00 C ATOM 835 CG TYR A 55 -12.198 17.096 0.108 1.00 0.00 C ATOM 836 CD1 TYR A 55 -12.024 15.792 -0.311 1.00 0.00 C ATOM 837 CD2 TYR A 55 -13.439 17.692 0.011 1.00 0.00 C ATOM 838 CE1 TYR A 55 -13.136 15.054 -0.850 1.00 0.00 C ATOM 839 CE2 TYR A 55 -14.552 16.954 -0.528 1.00 0.00 C ATOM 840 CZ TYR A 55 -14.345 15.671 -0.932 1.00 0.00 C ATOM 841 OH TYR A 55 -15.397 14.974 -1.441 1.00 0.00 O ATOM 0 H TYR A 55 -8.879 18.808 1.295 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.956 17.807 -1.236 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.437 17.222 1.329 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -11.397 18.688 1.305 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.053 15.325 -0.234 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -13.575 18.712 0.339 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -13.013 14.034 -1.182 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -15.528 17.408 -0.610 1.00 0.00 H new ATOM 0 HH TYR A 55 -16.197 15.540 -1.438 1.00 0.00 H new ATOM 851 N GLY A 56 -10.196 20.879 -0.348 1.00 0.00 N ATOM 852 CA GLY A 56 -10.675 22.193 -0.741 1.00 0.00 C ATOM 853 C GLY A 56 -10.553 22.390 -2.254 1.00 0.00 C ATOM 854 O GLY A 56 -11.529 22.732 -2.919 1.00 0.00 O ATOM 0 H GLY A 56 -9.469 20.887 0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.715 22.311 -0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.103 22.963 -0.223 1.00 0.00 H new ATOM 858 N PRO A 57 -9.314 22.161 -2.765 1.00 0.00 N ATOM 859 CA PRO A 57 -9.052 22.311 -4.186 1.00 0.00 C ATOM 860 C PRO A 57 -9.633 21.137 -4.978 1.00 0.00 C ATOM 861 O PRO A 57 -10.368 21.338 -5.943 1.00 0.00 O ATOM 862 CB PRO A 57 -7.539 22.412 -4.299 1.00 0.00 C ATOM 863 CG PRO A 57 -6.986 21.852 -2.999 1.00 0.00 C ATOM 864 CD PRO A 57 -8.134 21.756 -2.007 1.00 0.00 C ATOM 0 HA PRO A 57 -9.530 23.194 -4.610 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.173 21.846 -5.155 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.226 23.446 -4.443 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.542 20.871 -3.165 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.198 22.497 -2.610 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -8.240 20.742 -1.621 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.971 22.408 -1.149 1.00 0.00 H new ATOM 872 N LEU A 58 -9.282 19.937 -4.539 1.00 0.00 N ATOM 873 CA LEU A 58 -9.760 18.732 -5.194 1.00 0.00 C ATOM 874 C LEU A 58 -11.132 18.359 -4.628 1.00 0.00 C ATOM 875 O LEU A 58 -11.419 17.182 -4.414 1.00 0.00 O ATOM 876 CB LEU A 58 -8.722 17.613 -5.079 1.00 0.00 C ATOM 877 CG LEU A 58 -8.567 16.982 -3.694 1.00 0.00 C ATOM 878 CD1 LEU A 58 -9.370 15.684 -3.589 1.00 0.00 C ATOM 879 CD2 LEU A 58 -7.091 16.772 -3.350 1.00 0.00 C ATOM 0 H LEU A 58 -8.672 19.774 -3.738 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.892 18.905 -6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.984 16.827 -5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.754 18.009 -5.386 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.975 17.673 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.242 15.256 -2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.426 15.894 -3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.015 14.975 -4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.008 16.322 -2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.636 16.111 -4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.576 17.733 -3.356 1.00 0.00 H new ATOM 891 N MET A 59 -11.942 19.383 -4.404 1.00 0.00 N ATOM 892 CA MET A 59 -13.277 19.177 -3.868 1.00 0.00 C ATOM 893 C MET A 59 -14.279 18.892 -4.988 1.00 0.00 C ATOM 894 O MET A 59 -15.003 17.899 -4.940 1.00 0.00 O ATOM 895 CB MET A 59 -13.714 20.423 -3.095 1.00 0.00 C ATOM 896 CG MET A 59 -14.352 20.043 -1.757 1.00 0.00 C ATOM 897 SD MET A 59 -15.919 20.876 -1.570 1.00 0.00 S ATOM 898 CE MET A 59 -16.955 19.814 -2.564 1.00 0.00 C ATOM 0 H MET A 59 -11.700 20.357 -4.584 1.00 0.00 H new ATOM 0 HA MET A 59 -13.252 18.315 -3.201 1.00 0.00 H new ATOM 0 HB2 MET A 59 -12.853 21.068 -2.921 1.00 0.00 H new ATOM 0 HB3 MET A 59 -14.425 20.995 -3.692 1.00 0.00 H new ATOM 0 HG2 MET A 59 -14.496 18.964 -1.707 1.00 0.00 H new ATOM 0 HG3 MET A 59 -13.687 20.314 -0.937 1.00 0.00 H new ATOM 0 HE1 MET A 59 -17.984 20.172 -2.528 1.00 0.00 H new ATOM 0 HE2 MET A 59 -16.603 19.825 -3.596 1.00 0.00 H new ATOM 0 HE3 MET A 59 -16.911 18.796 -2.176 1.00 0.00 H new ATOM 908 N GLU A 60 -14.290 19.782 -5.969 1.00 0.00 N ATOM 909 CA GLU A 60 -15.192 19.639 -7.099 1.00 0.00 C ATOM 910 C GLU A 60 -14.878 18.355 -7.870 1.00 0.00 C ATOM 911 O GLU A 60 -15.785 17.611 -8.238 1.00 0.00 O ATOM 912 CB GLU A 60 -15.120 20.861 -8.017 1.00 0.00 C ATOM 913 CG GLU A 60 -13.678 21.353 -8.162 1.00 0.00 C ATOM 914 CD GLU A 60 -13.471 22.672 -7.414 1.00 0.00 C ATOM 915 OE1 GLU A 60 -14.162 22.935 -6.418 1.00 0.00 O ATOM 916 OE2 GLU A 60 -12.554 23.437 -7.901 1.00 0.00 O ATOM 0 H GLU A 60 -13.689 20.605 -6.005 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.211 19.571 -6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.522 20.608 -8.998 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.742 21.660 -7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.992 20.600 -7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.440 21.488 -9.217 1.00 0.00 H new ATOM 924 N TYR A 61 -13.590 18.136 -8.091 1.00 0.00 N ATOM 925 CA TYR A 61 -13.145 16.955 -8.811 1.00 0.00 C ATOM 926 C TYR A 61 -13.537 15.678 -8.064 1.00 0.00 C ATOM 927 O TYR A 61 -14.271 14.845 -8.594 1.00 0.00 O ATOM 928 CB TYR A 61 -11.620 17.048 -8.872 1.00 0.00 C ATOM 929 CG TYR A 61 -10.930 15.732 -9.237 1.00 0.00 C ATOM 930 CD1 TYR A 61 -10.851 15.338 -10.557 1.00 0.00 C ATOM 931 CD2 TYR A 61 -10.387 14.939 -8.246 1.00 0.00 C ATOM 932 CE1 TYR A 61 -10.201 14.099 -10.901 1.00 0.00 C ATOM 933 CE2 TYR A 61 -9.738 13.701 -8.590 1.00 0.00 C ATOM 934 CZ TYR A 61 -9.677 13.342 -9.901 1.00 0.00 C ATOM 935 OH TYR A 61 -9.064 12.172 -10.225 1.00 0.00 O ATOM 0 H TYR A 61 -12.841 18.756 -7.784 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.601 16.914 -9.800 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -11.342 17.807 -9.603 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -11.248 17.385 -7.905 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -11.276 15.958 -11.332 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.449 15.247 -7.213 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -10.132 13.779 -11.930 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.309 13.071 -7.825 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.737 11.738 -9.410 1.00 0.00 H new ATOM 945 N ILE A 62 -13.030 15.564 -6.846 1.00 0.00 N ATOM 946 CA ILE A 62 -13.317 14.402 -6.021 1.00 0.00 C ATOM 947 C ILE A 62 -14.833 14.233 -5.897 1.00 0.00 C ATOM 948 O ILE A 62 -15.326 13.116 -5.748 1.00 0.00 O ATOM 949 CB ILE A 62 -12.598 14.509 -4.675 1.00 0.00 C ATOM 950 CG1 ILE A 62 -12.128 13.135 -4.193 1.00 0.00 C ATOM 951 CG2 ILE A 62 -13.477 15.211 -3.638 1.00 0.00 C ATOM 952 CD1 ILE A 62 -10.951 13.266 -3.226 1.00 0.00 C ATOM 0 H ILE A 62 -12.422 16.257 -6.410 1.00 0.00 H new ATOM 0 HA ILE A 62 -12.932 13.497 -6.490 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.708 15.123 -4.811 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -12.951 12.617 -3.701 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -11.834 12.527 -5.048 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -12.942 15.274 -2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -13.718 16.215 -3.986 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -14.398 14.644 -3.498 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.637 12.275 -2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -10.121 13.762 -3.728 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -11.255 13.854 -2.360 1.00 0.00 H new ATOM 964 N ALA A 63 -15.529 15.358 -5.962 1.00 0.00 N ATOM 965 CA ALA A 63 -16.979 15.348 -5.859 1.00 0.00 C ATOM 966 C ALA A 63 -17.565 14.570 -7.038 1.00 0.00 C ATOM 967 O ALA A 63 -18.401 13.688 -6.851 1.00 0.00 O ATOM 968 CB ALA A 63 -17.496 16.787 -5.795 1.00 0.00 C ATOM 0 H ALA A 63 -15.116 16.283 -6.085 1.00 0.00 H new ATOM 0 HA ALA A 63 -17.295 14.847 -4.944 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -18.583 16.780 -5.718 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -17.074 17.287 -4.923 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -17.200 17.321 -6.698 1.00 0.00 H new ATOM 974 N ASP A 64 -17.102 14.925 -8.228 1.00 0.00 N ATOM 975 CA ASP A 64 -17.570 14.271 -9.439 1.00 0.00 C ATOM 976 C ASP A 64 -17.177 12.793 -9.399 1.00 0.00 C ATOM 977 O ASP A 64 -17.900 11.940 -9.913 1.00 0.00 O ATOM 978 CB ASP A 64 -16.936 14.896 -10.683 1.00 0.00 C ATOM 979 CG ASP A 64 -17.891 15.715 -11.553 1.00 0.00 C ATOM 980 OD1 ASP A 64 -18.835 15.175 -12.150 1.00 0.00 O ATOM 981 OD2 ASP A 64 -17.633 16.978 -11.606 1.00 0.00 O ATOM 0 H ASP A 64 -16.408 15.657 -8.379 1.00 0.00 H new ATOM 0 HA ASP A 64 -18.653 14.388 -9.489 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -16.113 15.538 -10.369 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -16.506 14.101 -11.292 1.00 0.00 H new ATOM 987 N ASN A 65 -16.032 12.534 -8.784 1.00 0.00 N ATOM 988 CA ASN A 65 -15.534 11.174 -8.671 1.00 0.00 C ATOM 989 C ASN A 65 -16.277 10.456 -7.543 1.00 0.00 C ATOM 990 O ASN A 65 -16.266 9.228 -7.471 1.00 0.00 O ATOM 991 CB ASN A 65 -14.041 11.161 -8.336 1.00 0.00 C ATOM 992 CG ASN A 65 -13.414 9.809 -8.682 1.00 0.00 C ATOM 993 OD1 ASN A 65 -13.794 8.816 -7.883 1.00 0.00 O flip ATOM 994 ND2 ASN A 65 -12.636 9.676 -9.613 1.00 0.00 N flip ATOM 0 H ASN A 65 -15.435 13.243 -8.359 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.694 10.675 -9.627 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.534 11.953 -8.887 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -13.901 11.370 -7.276 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.386 10.481 -10.188 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.236 8.760 -9.816 1.00 0.00 H new ATOM 1001 N ARG A 66 -16.906 11.252 -6.691 1.00 0.00 N ATOM 1002 CA ARG A 66 -17.654 10.707 -5.570 1.00 0.00 C ATOM 1003 C ARG A 66 -18.302 9.377 -5.961 1.00 0.00 C ATOM 1004 O ARG A 66 -18.435 8.479 -5.131 1.00 0.00 O ATOM 1005 CB ARG A 66 -18.740 11.680 -5.107 1.00 0.00 C ATOM 1006 CG ARG A 66 -19.528 11.103 -3.930 1.00 0.00 C ATOM 1007 CD ARG A 66 -20.358 12.187 -3.241 1.00 0.00 C ATOM 1008 NE ARG A 66 -20.957 11.653 -1.998 1.00 0.00 N ATOM 1009 CZ ARG A 66 -22.028 10.831 -1.966 1.00 0.00 C ATOM 1010 NH1 ARG A 66 -22.626 10.441 -3.111 1.00 0.00 N ATOM 1011 NH2 ARG A 66 -22.480 10.414 -0.798 1.00 0.00 N ATOM 0 H ARG A 66 -16.913 12.270 -6.754 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.954 10.547 -4.750 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.285 12.626 -4.815 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -19.418 11.894 -5.933 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -20.184 10.307 -4.282 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -18.841 10.655 -3.212 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -19.729 13.047 -3.011 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -21.143 12.537 -3.912 1.00 0.00 H new ATOM 0 HE ARG A 66 -20.535 11.923 -1.110 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -22.270 10.767 -4.009 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -23.434 9.820 -3.078 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -22.021 10.713 0.063 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -23.288 9.793 -0.756 1.00 0.00 H new ATOM 1024 N ILE A 67 -18.690 9.294 -7.225 1.00 0.00 N ATOM 1025 CA ILE A 67 -19.322 8.089 -7.736 1.00 0.00 C ATOM 1026 C ILE A 67 -18.649 6.863 -7.116 1.00 0.00 C ATOM 1027 O ILE A 67 -19.319 5.891 -6.769 1.00 0.00 O ATOM 1028 CB ILE A 67 -19.313 8.087 -9.266 1.00 0.00 C ATOM 1029 CG1 ILE A 67 -17.894 8.274 -9.807 1.00 0.00 C ATOM 1030 CG2 ILE A 67 -20.280 9.134 -9.821 1.00 0.00 C ATOM 1031 CD1 ILE A 67 -17.863 8.125 -11.329 1.00 0.00 C ATOM 0 H ILE A 67 -18.579 10.041 -7.910 1.00 0.00 H new ATOM 0 HA ILE A 67 -20.372 8.058 -7.446 1.00 0.00 H new ATOM 0 HB ILE A 67 -19.662 7.113 -9.608 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -17.521 9.259 -9.527 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -17.228 7.540 -9.353 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -20.254 9.112 -10.910 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -21.291 8.914 -9.477 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -19.985 10.123 -9.471 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -16.843 8.263 -11.687 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -18.213 7.130 -11.604 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -18.511 8.876 -11.781 1.00 0.00 H new ATOM 1043 N HIS A 68 -17.332 6.948 -6.995 1.00 0.00 N ATOM 1044 CA HIS A 68 -16.561 5.858 -6.422 1.00 0.00 C ATOM 1045 C HIS A 68 -16.189 6.195 -4.977 1.00 0.00 C ATOM 1046 O HIS A 68 -16.976 6.808 -4.257 1.00 0.00 O ATOM 1047 CB HIS A 68 -15.341 5.541 -7.290 1.00 0.00 C ATOM 1048 CG HIS A 68 -15.615 5.587 -8.774 1.00 0.00 C ATOM 1049 ND1 HIS A 68 -16.561 4.784 -9.387 1.00 0.00 N ATOM 1050 CD2 HIS A 68 -15.057 6.347 -9.760 1.00 0.00 C ATOM 1051 CE1 HIS A 68 -16.564 5.056 -10.684 1.00 0.00 C ATOM 1052 NE2 HIS A 68 -15.631 6.025 -10.913 1.00 0.00 N ATOM 0 H HIS A 68 -16.779 7.755 -7.284 1.00 0.00 H new ATOM 0 HA HIS A 68 -17.166 4.952 -6.402 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -14.547 6.250 -7.055 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -14.970 4.549 -7.030 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.280 7.085 -9.625 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -17.194 4.592 -11.429 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.411 6.435 -11.821 1.00 0.00 H new ATOM 1060 N ALA A 69 -14.990 5.781 -4.596 1.00 0.00 N ATOM 1061 CA ALA A 69 -14.504 6.032 -3.250 1.00 0.00 C ATOM 1062 C ALA A 69 -13.008 6.350 -3.303 1.00 0.00 C ATOM 1063 O ALA A 69 -12.192 5.600 -2.770 1.00 0.00 O ATOM 1064 CB ALA A 69 -14.813 4.825 -2.363 1.00 0.00 C ATOM 0 H ALA A 69 -14.340 5.273 -5.196 1.00 0.00 H new ATOM 0 HA ALA A 69 -15.008 6.894 -2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.449 5.013 -1.353 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -15.890 4.660 -2.335 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -14.321 3.941 -2.768 1.00 0.00 H new ATOM 1070 N VAL A 70 -12.695 7.462 -3.951 1.00 0.00 N ATOM 1071 CA VAL A 70 -11.311 7.888 -4.081 1.00 0.00 C ATOM 1072 C VAL A 70 -10.981 8.880 -2.964 1.00 0.00 C ATOM 1073 O VAL A 70 -11.138 10.088 -3.136 1.00 0.00 O ATOM 1074 CB VAL A 70 -11.068 8.459 -5.479 1.00 0.00 C ATOM 1075 CG1 VAL A 70 -11.521 7.474 -6.559 1.00 0.00 C ATOM 1076 CG2 VAL A 70 -11.761 9.813 -5.647 1.00 0.00 C ATOM 0 H VAL A 70 -13.375 8.081 -4.392 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.638 7.038 -3.971 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.996 8.615 -5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.337 7.904 -7.544 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.963 6.543 -6.460 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.586 7.272 -6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.572 10.197 -6.650 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.834 9.693 -5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -11.371 10.515 -4.910 1.00 0.00 H new ATOM 1086 N SER A 71 -10.530 8.334 -1.844 1.00 0.00 N ATOM 1087 CA SER A 71 -10.176 9.156 -0.700 1.00 0.00 C ATOM 1088 C SER A 71 -8.859 9.887 -0.968 1.00 0.00 C ATOM 1089 O SER A 71 -8.163 9.585 -1.936 1.00 0.00 O ATOM 1090 CB SER A 71 -10.066 8.313 0.571 1.00 0.00 C ATOM 1091 OG SER A 71 -11.344 8.015 1.127 1.00 0.00 O ATOM 0 H SER A 71 -10.402 7.332 -1.705 1.00 0.00 H new ATOM 0 HA SER A 71 -10.967 9.890 -0.549 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.543 7.384 0.345 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.465 8.846 1.308 1.00 0.00 H new ATOM 0 HG SER A 71 -11.231 7.474 1.936 1.00 0.00 H new ATOM 1097 N ILE A 72 -8.557 10.836 -0.093 1.00 0.00 N ATOM 1098 CA ILE A 72 -7.336 11.612 -0.223 1.00 0.00 C ATOM 1099 C ILE A 72 -6.912 12.123 1.155 1.00 0.00 C ATOM 1100 O ILE A 72 -7.671 12.827 1.820 1.00 0.00 O ATOM 1101 CB ILE A 72 -7.514 12.721 -1.262 1.00 0.00 C ATOM 1102 CG1 ILE A 72 -6.381 12.697 -2.290 1.00 0.00 C ATOM 1103 CG2 ILE A 72 -7.647 14.088 -0.588 1.00 0.00 C ATOM 1104 CD1 ILE A 72 -6.927 12.850 -3.711 1.00 0.00 C ATOM 0 H ILE A 72 -9.137 11.084 0.708 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.525 10.986 -0.595 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.443 12.536 -1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.676 13.501 -2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.830 11.760 -2.207 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.772 14.858 -1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.514 14.085 0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.749 14.296 -0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.101 12.830 -4.422 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.613 12.031 -3.928 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.457 13.799 -3.797 1.00 0.00 H new ATOM 1116 N LYS A 73 -5.702 11.750 1.543 1.00 0.00 N ATOM 1117 CA LYS A 73 -5.169 12.162 2.831 1.00 0.00 C ATOM 1118 C LYS A 73 -3.662 12.395 2.702 1.00 0.00 C ATOM 1119 O LYS A 73 -2.939 11.541 2.191 1.00 0.00 O ATOM 1120 CB LYS A 73 -5.544 11.149 3.915 1.00 0.00 C ATOM 1121 CG LYS A 73 -6.688 11.675 4.784 1.00 0.00 C ATOM 1122 CD LYS A 73 -7.734 10.586 5.031 1.00 0.00 C ATOM 1123 CE LYS A 73 -7.920 10.334 6.529 1.00 0.00 C ATOM 1124 NZ LYS A 73 -9.353 10.154 6.850 1.00 0.00 N ATOM 0 H LYS A 73 -5.075 11.167 0.989 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.613 13.107 3.143 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.838 10.207 3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.675 10.940 4.539 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.293 12.028 5.737 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.156 12.530 4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.685 10.883 4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.427 9.663 4.539 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.360 9.447 6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.516 11.172 7.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.462 9.984 7.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.879 11.011 6.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.728 9.340 6.322 1.00 0.00 H new ATOM 1137 N ALA A 74 -3.233 13.556 3.175 1.00 0.00 N ATOM 1138 CA ALA A 74 -1.826 13.913 3.120 1.00 0.00 C ATOM 1139 C ALA A 74 -1.109 13.336 4.342 1.00 0.00 C ATOM 1140 O ALA A 74 -1.417 13.701 5.476 1.00 0.00 O ATOM 1141 CB ALA A 74 -1.688 15.434 3.027 1.00 0.00 C ATOM 0 H ALA A 74 -3.836 14.262 3.598 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.357 13.488 2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.632 15.702 2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.188 15.790 2.126 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.145 15.895 3.902 1.00 0.00 H new ATOM 1147 N TYR A 75 -0.167 12.445 4.070 1.00 0.00 N ATOM 1148 CA TYR A 75 0.596 11.814 5.134 1.00 0.00 C ATOM 1149 C TYR A 75 2.011 11.470 4.665 1.00 0.00 C ATOM 1150 O TYR A 75 2.360 11.706 3.509 1.00 0.00 O ATOM 1151 CB TYR A 75 -0.145 10.519 5.473 1.00 0.00 C ATOM 1152 CG TYR A 75 -1.405 10.726 6.316 1.00 0.00 C ATOM 1153 CD1 TYR A 75 -1.407 11.654 7.338 1.00 0.00 C ATOM 1154 CD2 TYR A 75 -2.539 9.984 6.055 1.00 0.00 C ATOM 1155 CE1 TYR A 75 -2.593 11.848 8.131 1.00 0.00 C ATOM 1156 CE2 TYR A 75 -3.725 10.179 6.848 1.00 0.00 C ATOM 1157 CZ TYR A 75 -3.694 11.101 7.847 1.00 0.00 C ATOM 1158 OH TYR A 75 -4.814 11.284 8.597 1.00 0.00 O ATOM 0 H TYR A 75 0.085 12.145 3.128 1.00 0.00 H new ATOM 0 HA TYR A 75 0.684 12.482 5.991 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.419 10.016 4.546 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.533 9.854 6.008 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.519 12.234 7.543 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -2.537 9.257 5.256 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -2.608 12.571 8.934 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.619 9.606 6.654 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.521 10.684 8.281 1.00 0.00 H new ATOM 1168 N THR A 76 2.787 10.918 5.585 1.00 0.00 N ATOM 1169 CA THR A 76 4.156 10.539 5.280 1.00 0.00 C ATOM 1170 C THR A 76 4.194 9.155 4.628 1.00 0.00 C ATOM 1171 O THR A 76 3.152 8.537 4.413 1.00 0.00 O ATOM 1172 CB THR A 76 4.970 10.623 6.573 1.00 0.00 C ATOM 1173 OG1 THR A 76 4.819 9.335 7.163 1.00 0.00 O ATOM 1174 CG2 THR A 76 4.347 11.576 7.595 1.00 0.00 C ATOM 0 H THR A 76 2.494 10.724 6.543 1.00 0.00 H new ATOM 0 HA THR A 76 4.601 11.219 4.554 1.00 0.00 H new ATOM 0 HB THR A 76 5.984 10.949 6.343 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.840 9.418 8.139 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.963 11.599 8.494 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.288 12.578 7.170 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.345 11.231 7.851 1.00 0.00 H new ATOM 1182 N PRO A 77 5.438 8.698 4.322 1.00 0.00 N ATOM 1183 CA PRO A 77 5.625 7.399 3.699 1.00 0.00 C ATOM 1184 C PRO A 77 5.421 6.270 4.711 1.00 0.00 C ATOM 1185 O PRO A 77 4.876 5.220 4.374 1.00 0.00 O ATOM 1186 CB PRO A 77 7.033 7.436 3.127 1.00 0.00 C ATOM 1187 CG PRO A 77 7.746 8.568 3.848 1.00 0.00 C ATOM 1188 CD PRO A 77 6.694 9.402 4.561 1.00 0.00 C ATOM 0 HA PRO A 77 4.895 7.201 2.914 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.545 6.487 3.287 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.013 7.609 2.051 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.467 8.171 4.562 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.303 9.181 3.139 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.907 9.481 5.627 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.660 10.418 4.167 1.00 0.00 H new ATOM 1196 N ALA A 78 5.869 6.525 5.932 1.00 0.00 N ATOM 1197 CA ALA A 78 5.742 5.543 6.995 1.00 0.00 C ATOM 1198 C ALA A 78 4.366 5.681 7.649 1.00 0.00 C ATOM 1199 O ALA A 78 3.887 4.753 8.299 1.00 0.00 O ATOM 1200 CB ALA A 78 6.884 5.725 7.997 1.00 0.00 C ATOM 0 H ALA A 78 6.320 7.397 6.208 1.00 0.00 H new ATOM 0 HA ALA A 78 5.817 4.532 6.595 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.789 4.988 8.795 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.839 5.589 7.489 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.839 6.728 8.422 1.00 0.00 H new ATOM 1206 N GLU A 79 3.768 6.848 7.456 1.00 0.00 N ATOM 1207 CA GLU A 79 2.457 7.120 8.019 1.00 0.00 C ATOM 1208 C GLU A 79 1.430 6.123 7.478 1.00 0.00 C ATOM 1209 O GLU A 79 0.479 5.766 8.172 1.00 0.00 O ATOM 1210 CB GLU A 79 2.025 8.560 7.734 1.00 0.00 C ATOM 1211 CG GLU A 79 0.672 8.865 8.380 1.00 0.00 C ATOM 1212 CD GLU A 79 0.672 10.254 9.022 1.00 0.00 C ATOM 1213 OE1 GLU A 79 1.449 11.127 8.609 1.00 0.00 O ATOM 1214 OE2 GLU A 79 -0.176 10.411 9.982 1.00 0.00 O ATOM 0 H GLU A 79 4.168 7.616 6.917 1.00 0.00 H new ATOM 0 HA GLU A 79 2.516 7.001 9.101 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.777 9.251 8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.962 8.718 6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.115 8.808 7.628 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.447 8.111 9.135 1.00 0.00 H new ATOM 1222 N TRP A 80 1.656 5.701 6.242 1.00 0.00 N ATOM 1223 CA TRP A 80 0.763 4.752 5.600 1.00 0.00 C ATOM 1224 C TRP A 80 0.779 3.459 6.418 1.00 0.00 C ATOM 1225 O TRP A 80 -0.188 3.145 7.109 1.00 0.00 O ATOM 1226 CB TRP A 80 1.150 4.538 4.136 1.00 0.00 C ATOM 1227 CG TRP A 80 -0.030 4.596 3.164 1.00 0.00 C ATOM 1228 CD1 TRP A 80 -0.031 5.011 1.890 1.00 0.00 C ATOM 1229 CD2 TRP A 80 -1.392 4.207 3.442 1.00 0.00 C ATOM 1230 NE1 TRP A 80 -1.288 4.918 1.329 1.00 0.00 N ATOM 1231 CE2 TRP A 80 -2.142 4.414 2.303 1.00 0.00 C ATOM 1232 CE3 TRP A 80 -1.971 3.698 4.618 1.00 0.00 C ATOM 1233 CZ2 TRP A 80 -3.513 4.139 2.226 1.00 0.00 C ATOM 1234 CZ3 TRP A 80 -3.342 3.428 4.526 1.00 0.00 C ATOM 1235 CH2 TRP A 80 -4.111 3.630 3.386 1.00 0.00 C ATOM 0 H TRP A 80 2.445 5.999 5.668 1.00 0.00 H new ATOM 0 HA TRP A 80 -0.256 5.137 5.578 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.880 5.295 3.850 1.00 0.00 H new ATOM 0 HB3 TRP A 80 1.640 3.569 4.039 1.00 0.00 H new ATOM 0 HD1 TRP A 80 0.842 5.373 1.368 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -1.544 5.172 0.375 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -1.403 3.529 5.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -4.078 4.310 1.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -3.836 3.035 5.402 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -5.165 3.396 3.394 1.00 0.00 H new ATOM 1246 N ALA A 81 1.889 2.743 6.311 1.00 0.00 N ATOM 1247 CA ALA A 81 2.044 1.491 7.032 1.00 0.00 C ATOM 1248 C ALA A 81 1.419 1.627 8.422 1.00 0.00 C ATOM 1249 O ALA A 81 0.612 0.792 8.828 1.00 0.00 O ATOM 1250 CB ALA A 81 3.527 1.118 7.093 1.00 0.00 C ATOM 0 H ALA A 81 2.689 3.006 5.736 1.00 0.00 H new ATOM 0 HA ALA A 81 1.525 0.683 6.515 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.644 0.179 7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.916 1.005 6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.079 1.904 7.608 1.00 0.00 H new ATOM 1256 N ARG A 82 1.816 2.685 9.113 1.00 0.00 N ATOM 1257 CA ARG A 82 1.304 2.941 10.449 1.00 0.00 C ATOM 1258 C ARG A 82 -0.215 3.117 10.411 1.00 0.00 C ATOM 1259 O ARG A 82 -0.919 2.653 11.306 1.00 0.00 O ATOM 1260 CB ARG A 82 1.941 4.196 11.051 1.00 0.00 C ATOM 1261 CG ARG A 82 1.360 4.494 12.435 1.00 0.00 C ATOM 1262 CD ARG A 82 2.030 5.721 13.057 1.00 0.00 C ATOM 1263 NE ARG A 82 2.595 5.373 14.380 1.00 0.00 N ATOM 1264 CZ ARG A 82 1.883 5.353 15.526 1.00 0.00 C ATOM 1265 NH1 ARG A 82 0.568 5.661 15.521 1.00 0.00 N ATOM 1266 NH2 ARG A 82 2.490 5.027 16.652 1.00 0.00 N ATOM 0 H ARG A 82 2.486 3.375 8.773 1.00 0.00 H new ATOM 0 HA ARG A 82 1.558 2.083 11.072 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.020 4.060 11.127 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.772 5.047 10.391 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.286 4.663 12.354 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.499 3.630 13.085 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.819 6.087 12.400 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.304 6.527 13.163 1.00 0.00 H new ATOM 0 HE ARG A 82 3.585 5.133 14.429 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.106 5.911 14.647 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.037 5.644 16.392 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.483 4.795 16.647 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.966 5.007 17.527 1.00 0.00 H new ATOM 1279 N ASP A 83 -0.676 3.787 9.365 1.00 0.00 N ATOM 1280 CA ASP A 83 -2.099 4.030 9.199 1.00 0.00 C ATOM 1281 C ASP A 83 -2.810 2.701 8.936 1.00 0.00 C ATOM 1282 O ASP A 83 -3.875 2.442 9.495 1.00 0.00 O ATOM 1283 CB ASP A 83 -2.365 4.952 8.008 1.00 0.00 C ATOM 1284 CG ASP A 83 -2.846 6.358 8.374 1.00 0.00 C ATOM 1285 OD1 ASP A 83 -3.738 6.528 9.218 1.00 0.00 O ATOM 1286 OD2 ASP A 83 -2.258 7.317 7.743 1.00 0.00 O ATOM 0 H ASP A 83 -0.089 4.169 8.624 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.470 4.501 10.109 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.449 5.038 7.423 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -3.111 4.485 7.365 1.00 0.00 H new ATOM 1292 N ARG A 84 -2.193 1.894 8.085 1.00 0.00 N ATOM 1293 CA ARG A 84 -2.755 0.598 7.742 1.00 0.00 C ATOM 1294 C ARG A 84 -2.548 -0.391 8.890 1.00 0.00 C ATOM 1295 O ARG A 84 -3.247 -1.399 8.979 1.00 0.00 O ATOM 1296 CB ARG A 84 -2.110 0.038 6.472 1.00 0.00 C ATOM 1297 CG ARG A 84 -3.170 -0.517 5.519 1.00 0.00 C ATOM 1298 CD ARG A 84 -2.918 -0.047 4.085 1.00 0.00 C ATOM 1299 NE ARG A 84 -2.194 -1.093 3.328 1.00 0.00 N ATOM 1300 CZ ARG A 84 -2.765 -2.229 2.874 1.00 0.00 C ATOM 1301 NH1 ARG A 84 -4.073 -2.475 3.095 1.00 0.00 N ATOM 1302 NH2 ARG A 84 -2.023 -3.096 2.209 1.00 0.00 N ATOM 0 H ARG A 84 -1.310 2.112 7.623 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.822 0.735 7.565 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.541 0.822 5.972 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.404 -0.750 6.735 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.162 -1.606 5.555 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.160 -0.195 5.843 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.866 0.177 3.595 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.337 0.875 4.093 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.203 -0.946 3.138 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.639 -1.800 3.609 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.496 -3.336 2.748 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.035 -2.902 2.046 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.438 -3.959 1.859 1.00 0.00 H new ATOM 1315 N LYS A 85 -1.584 -0.069 9.740 1.00 0.00 N ATOM 1316 CA LYS A 85 -1.276 -0.917 10.879 1.00 0.00 C ATOM 1317 C LYS A 85 -2.183 -0.537 12.052 1.00 0.00 C ATOM 1318 O LYS A 85 -2.338 -1.310 12.996 1.00 0.00 O ATOM 1319 CB LYS A 85 0.216 -0.851 11.209 1.00 0.00 C ATOM 1320 CG LYS A 85 0.972 -2.016 10.567 1.00 0.00 C ATOM 1321 CD LYS A 85 1.966 -1.513 9.518 1.00 0.00 C ATOM 1322 CE LYS A 85 1.409 -1.690 8.105 1.00 0.00 C ATOM 1323 NZ LYS A 85 1.393 -3.121 7.729 1.00 0.00 N ATOM 0 H LYS A 85 -1.006 0.768 9.663 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.480 -1.961 10.642 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.629 0.094 10.855 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.354 -0.875 12.290 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.502 -2.578 11.336 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.264 -2.702 10.103 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.187 -0.461 9.696 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.906 -2.056 9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.399 -1.283 8.052 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.017 -1.128 7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.344 -3.207 6.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.260 -3.580 8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.564 -3.582 8.154 1.00 0.00 H new ATOM 1336 N LEU A 86 -2.757 0.652 11.953 1.00 0.00 N ATOM 1337 CA LEU A 86 -3.644 1.144 12.994 1.00 0.00 C ATOM 1338 C LEU A 86 -5.030 0.523 12.812 1.00 0.00 C ATOM 1339 O LEU A 86 -5.192 -0.431 12.053 1.00 0.00 O ATOM 1340 CB LEU A 86 -3.652 2.674 13.013 1.00 0.00 C ATOM 1341 CG LEU A 86 -2.578 3.340 13.875 1.00 0.00 C ATOM 1342 CD1 LEU A 86 -2.841 4.841 14.015 1.00 0.00 C ATOM 1343 CD2 LEU A 86 -2.460 2.649 15.235 1.00 0.00 C ATOM 0 H LEU A 86 -2.626 1.290 11.168 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.284 0.839 13.977 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.541 3.031 11.989 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.629 3.008 13.363 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.617 3.227 13.372 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.063 5.291 14.632 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.835 5.305 13.029 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.812 4.998 14.484 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.690 3.142 15.828 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.415 2.709 15.758 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.192 1.603 15.089 1.00 0.00 H new ATOM 1355 N ASN A 87 -5.995 1.090 13.522 1.00 0.00 N ATOM 1356 CA ASN A 87 -7.363 0.604 13.448 1.00 0.00 C ATOM 1357 C ASN A 87 -8.203 1.582 12.624 1.00 0.00 C ATOM 1358 O ASN A 87 -9.431 1.506 12.627 1.00 0.00 O ATOM 1359 CB ASN A 87 -7.987 0.502 14.841 1.00 0.00 C ATOM 1360 CG ASN A 87 -8.173 1.887 15.462 1.00 0.00 C ATOM 1361 OD1 ASN A 87 -7.077 2.376 16.034 1.00 0.00 O flip ATOM 1362 ND2 ASN A 87 -9.242 2.475 15.423 1.00 0.00 N flip ATOM 0 H ASN A 87 -5.857 1.881 14.151 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.346 -0.384 12.987 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.951 -0.003 14.775 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.351 -0.106 15.484 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -10.046 2.042 14.968 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.332 3.399 15.846 1.00 0.00 H new ATOM 1369 N GLY A 88 -7.508 2.479 11.939 1.00 0.00 N ATOM 1370 CA GLY A 88 -8.175 3.470 11.113 1.00 0.00 C ATOM 1371 C GLY A 88 -8.341 2.966 9.678 1.00 0.00 C ATOM 1372 O GLY A 88 -9.335 3.271 9.020 1.00 0.00 O ATOM 0 H GLY A 88 -6.490 2.540 11.940 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.152 3.703 11.536 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.599 4.396 11.113 1.00 0.00 H new ATOM 1376 N PHE A 89 -7.352 2.204 9.234 1.00 0.00 N ATOM 1377 CA PHE A 89 -7.376 1.654 7.889 1.00 0.00 C ATOM 1378 C PHE A 89 -7.302 0.127 7.920 1.00 0.00 C ATOM 1379 O PHE A 89 -7.325 -0.521 6.874 1.00 0.00 O ATOM 1380 CB PHE A 89 -6.146 2.199 7.162 1.00 0.00 C ATOM 1381 CG PHE A 89 -6.375 3.547 6.475 1.00 0.00 C ATOM 1382 CD1 PHE A 89 -7.222 3.634 5.414 1.00 0.00 C ATOM 1383 CD2 PHE A 89 -5.732 4.658 6.924 1.00 0.00 C ATOM 1384 CE1 PHE A 89 -7.434 4.885 4.776 1.00 0.00 C ATOM 1385 CE2 PHE A 89 -5.945 5.908 6.287 1.00 0.00 C ATOM 1386 CZ PHE A 89 -6.792 5.995 5.226 1.00 0.00 C ATOM 0 H PHE A 89 -6.529 1.954 9.782 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.302 1.935 7.388 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.330 2.301 7.877 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.826 1.472 6.415 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.733 2.752 5.057 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.059 4.589 7.766 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -8.106 4.954 3.933 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.435 6.790 6.644 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.954 6.946 4.741 1.00 0.00 H new ATOM 1396 N LEU A 90 -7.213 -0.406 9.130 1.00 0.00 N ATOM 1397 CA LEU A 90 -7.135 -1.846 9.310 1.00 0.00 C ATOM 1398 C LEU A 90 -7.979 -2.251 10.520 1.00 0.00 C ATOM 1399 O LEU A 90 -7.869 -3.373 11.011 1.00 0.00 O ATOM 1400 CB LEU A 90 -5.675 -2.295 9.401 1.00 0.00 C ATOM 1401 CG LEU A 90 -5.446 -3.750 9.817 1.00 0.00 C ATOM 1402 CD1 LEU A 90 -4.435 -4.432 8.894 1.00 0.00 C ATOM 1403 CD2 LEU A 90 -5.033 -3.841 11.287 1.00 0.00 C ATOM 0 H LEU A 90 -7.193 0.134 9.995 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.551 -2.362 8.444 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.206 -2.137 8.430 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.160 -1.649 10.112 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.389 -4.287 9.714 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.291 -5.465 9.212 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.809 -4.416 7.870 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.484 -3.902 8.941 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.877 -4.885 11.557 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.109 -3.284 11.440 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.819 -3.418 11.913 1.00 0.00 H new ATOM 1415 N GLU A 91 -8.805 -1.314 10.965 1.00 0.00 N ATOM 1416 CA GLU A 91 -9.668 -1.560 12.108 1.00 0.00 C ATOM 1417 C GLU A 91 -9.225 -2.825 12.845 1.00 0.00 C ATOM 1418 O GLU A 91 -9.642 -3.929 12.496 1.00 0.00 O ATOM 1419 CB GLU A 91 -11.133 -1.660 11.677 1.00 0.00 C ATOM 1420 CG GLU A 91 -11.696 -0.281 11.326 1.00 0.00 C ATOM 1421 CD GLU A 91 -12.809 -0.393 10.282 1.00 0.00 C ATOM 1422 OE1 GLU A 91 -12.641 -1.087 9.269 1.00 0.00 O ATOM 1423 OE2 GLU A 91 -13.881 0.272 10.554 1.00 0.00 O ATOM 0 H GLU A 91 -8.894 -0.384 10.555 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.582 -0.716 12.792 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.218 -2.322 10.815 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -11.722 -2.104 12.479 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.083 0.198 12.226 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.898 0.356 10.945 1.00 0.00 H new ATOM 1431 N HIS A 92 -8.387 -2.624 13.851 1.00 0.00 N ATOM 1432 CA HIS A 92 -7.883 -3.735 14.640 1.00 0.00 C ATOM 1433 C HIS A 92 -8.695 -3.856 15.931 1.00 0.00 C ATOM 1434 O HIS A 92 -9.553 -3.020 16.210 1.00 0.00 O ATOM 1435 CB HIS A 92 -6.382 -3.584 14.895 1.00 0.00 C ATOM 1436 CG HIS A 92 -5.685 -4.879 15.237 1.00 0.00 C ATOM 1437 ND1 HIS A 92 -6.059 -6.098 14.699 1.00 0.00 N ATOM 1438 CD2 HIS A 92 -4.632 -5.132 16.067 1.00 0.00 C ATOM 1439 CE1 HIS A 92 -5.262 -7.035 15.191 1.00 0.00 C ATOM 1440 NE2 HIS A 92 -4.379 -6.434 16.039 1.00 0.00 N ATOM 0 H HIS A 92 -8.044 -1.707 14.138 1.00 0.00 H new ATOM 0 HA HIS A 92 -8.006 -4.665 14.085 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -5.915 -3.154 14.009 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -6.232 -2.876 15.710 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -4.095 -4.397 16.648 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -5.304 -8.089 14.961 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -3.645 -6.908 16.565 1.00 0.00 H new ATOM 1448 N HIS A 93 -8.394 -4.904 16.685 1.00 0.00 N ATOM 1449 CA HIS A 93 -9.085 -5.145 17.940 1.00 0.00 C ATOM 1450 C HIS A 93 -8.873 -3.957 18.880 1.00 0.00 C ATOM 1451 O HIS A 93 -7.811 -3.336 18.871 1.00 0.00 O ATOM 1452 CB HIS A 93 -8.644 -6.474 18.556 1.00 0.00 C ATOM 1453 CG HIS A 93 -9.600 -7.616 18.305 1.00 0.00 C ATOM 1454 ND1 HIS A 93 -9.709 -8.246 17.077 1.00 0.00 N ATOM 1455 CD2 HIS A 93 -10.488 -8.233 19.135 1.00 0.00 C ATOM 1456 CE1 HIS A 93 -10.625 -9.198 17.176 1.00 0.00 C ATOM 1457 NE2 HIS A 93 -11.107 -9.188 18.452 1.00 0.00 N ATOM 0 H HIS A 93 -7.681 -5.595 16.451 1.00 0.00 H new ATOM 0 HA HIS A 93 -10.156 -5.233 17.758 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -7.665 -6.740 18.158 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -8.526 -6.342 19.632 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -10.659 -7.987 20.173 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -10.936 -9.865 16.385 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -11.825 -9.812 18.821 1.00 0.00 H new ATOM 1465 N HIS A 94 -9.900 -3.675 19.668 1.00 0.00 N ATOM 1466 CA HIS A 94 -9.839 -2.572 20.611 1.00 0.00 C ATOM 1467 C HIS A 94 -8.531 -2.644 21.402 1.00 0.00 C ATOM 1468 O HIS A 94 -8.061 -3.732 21.733 1.00 0.00 O ATOM 1469 CB HIS A 94 -11.076 -2.559 21.512 1.00 0.00 C ATOM 1470 CG HIS A 94 -12.065 -1.466 21.181 1.00 0.00 C ATOM 1471 ND1 HIS A 94 -13.410 -1.553 21.493 1.00 0.00 N ATOM 1472 CD2 HIS A 94 -11.889 -0.262 20.564 1.00 0.00 C ATOM 1473 CE1 HIS A 94 -14.008 -0.446 21.077 1.00 0.00 C ATOM 1474 NE2 HIS A 94 -13.064 0.352 20.501 1.00 0.00 N ATOM 0 H HIS A 94 -10.779 -4.192 19.673 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.844 -1.626 20.070 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -11.578 -3.524 21.437 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -10.757 -2.445 22.548 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.953 0.126 20.190 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -15.059 -0.216 21.177 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -13.233 1.270 20.089 1.00 0.00 H new ATOM 1482 N HIS A 95 -7.981 -1.472 21.682 1.00 0.00 N ATOM 1483 CA HIS A 95 -6.737 -1.389 22.427 1.00 0.00 C ATOM 1484 C HIS A 95 -6.783 -2.354 23.613 1.00 0.00 C ATOM 1485 O HIS A 95 -5.917 -3.217 23.751 1.00 0.00 O ATOM 1486 CB HIS A 95 -6.451 0.054 22.848 1.00 0.00 C ATOM 1487 CG HIS A 95 -5.406 0.183 23.931 1.00 0.00 C ATOM 1488 ND1 HIS A 95 -5.584 0.972 25.054 1.00 0.00 N ATOM 1489 CD2 HIS A 95 -4.172 -0.385 24.050 1.00 0.00 C ATOM 1490 CE1 HIS A 95 -4.499 0.876 25.808 1.00 0.00 C ATOM 1491 NE2 HIS A 95 -3.625 0.035 25.184 1.00 0.00 N ATOM 0 H HIS A 95 -8.374 -0.572 21.406 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.907 -1.692 21.789 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.125 0.619 21.974 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -7.378 0.511 23.196 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.717 -1.062 23.342 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.335 1.376 26.751 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -2.703 -0.228 25.532 1.00 0.00 H new ATOM 1499 N HIS A 96 -7.803 -2.176 24.440 1.00 0.00 N ATOM 1500 CA HIS A 96 -7.974 -3.020 25.611 1.00 0.00 C ATOM 1501 C HIS A 96 -7.713 -4.480 25.233 1.00 0.00 C ATOM 1502 O HIS A 96 -8.526 -5.103 24.552 1.00 0.00 O ATOM 1503 CB HIS A 96 -9.353 -2.807 26.237 1.00 0.00 C ATOM 1504 CG HIS A 96 -9.576 -3.588 27.511 1.00 0.00 C ATOM 1505 ND1 HIS A 96 -9.523 -3.007 28.765 1.00 0.00 N ATOM 1506 CD2 HIS A 96 -9.854 -4.908 27.709 1.00 0.00 C ATOM 1507 CE1 HIS A 96 -9.759 -3.944 29.671 1.00 0.00 C ATOM 1508 NE2 HIS A 96 -9.963 -5.122 29.015 1.00 0.00 N ATOM 0 H HIS A 96 -8.520 -1.460 24.322 1.00 0.00 H new ATOM 0 HA HIS A 96 -7.246 -2.743 26.374 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.486 -1.745 26.446 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.117 -3.088 25.512 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -9.966 -5.653 26.935 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -9.785 -3.800 30.741 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -10.166 -6.020 29.455 1.00 0.00 H new ATOM 1516 N HIS A 97 -6.576 -4.982 25.691 1.00 0.00 N ATOM 1517 CA HIS A 97 -6.198 -6.356 25.409 1.00 0.00 C ATOM 1518 C HIS A 97 -6.506 -7.233 26.625 1.00 0.00 C ATOM 1519 O HIS A 97 -7.669 -7.418 26.982 1.00 0.00 O ATOM 1520 CB HIS A 97 -4.733 -6.439 24.976 1.00 0.00 C ATOM 1521 CG HIS A 97 -3.749 -6.387 26.121 1.00 0.00 C ATOM 1522 ND1 HIS A 97 -3.560 -5.255 26.895 1.00 0.00 N ATOM 1523 CD2 HIS A 97 -2.904 -7.337 26.614 1.00 0.00 C ATOM 1524 CE1 HIS A 97 -2.640 -5.524 27.810 1.00 0.00 C ATOM 1525 NE2 HIS A 97 -2.234 -6.814 27.633 1.00 0.00 N ATOM 0 H HIS A 97 -5.904 -4.462 26.255 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.786 -6.734 24.573 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.581 -7.365 24.422 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -4.521 -5.619 24.291 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -2.798 -8.344 26.239 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -2.276 -4.842 28.564 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -1.531 -7.297 28.192 1.00 0.00 H new TER 1533 HIS A 97