USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 533 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 19 HIS : no HE2:sc= -11.2! C(o=-13!,f=-13!) USER MOD Set 1.2: A 71 TYR OH : rot 180:sc= -1.41 USER MOD Set 2.1: A 31 GLN : amide:sc= -2.11 K(o=-6.4,f=-8.4) USER MOD Set 2.2: A 32 THR OG1 : rot -90:sc= -2.86! USER MOD Set 2.3: A 89 GLN : amide:sc= -1.38! C(o=-6.4!,f=-8!) USER MOD Set 3.1: A 10 MET CE :methyl 155:sc= -9.39! (180deg=-9.82!) USER MOD Set 3.2: A 70 MET CE :methyl 146:sc= -1.41 (180deg=-4.4!) USER MOD Set 4.1: A 9 GLN : amide:sc= -2.92 K(o=-2.9,f=-3.8!) USER MOD Set 4.2: A 43 LYS NZ :NH3+ 149:sc= 0.0284 (180deg=-0.0783) USER MOD Single : A 4 ASN : amide:sc= -0.642 K(o=-0.64,f=-4.5!) USER MOD Single : A 6 THR OG1 : rot -140:sc= -0.122 USER MOD Single : A 7 SER OG : rot -140:sc= -2.38! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.0036 F(o=-1.5,f=-0.0036) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.6! X(o=-1.6!,f=-1.1) USER MOD Single : A 42 ASN : amide:sc= -4.17 K(o=-4.2,f=-8.6!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 15:sc= 0.852 USER MOD Single : A 56 THR OG1 : rot -105:sc= 1.08 USER MOD Single : A 60 ASN : amide:sc= -0.263 K(o=-0.26,f=-5.7!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 173:sc= 0.0169 (180deg=0.0133) USER MOD Single : A 84 GLN : amide:sc= 0.926 K(o=0.93,f=-0.7) USER MOD Single : A 86 ASN : amide:sc= -0.241 K(o=-0.24,f=-2.4!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -1.38 X(o=-1.4,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 3 0.837 -4.151 -7.619 1.00 0.00 N ATOM 32 CA LEU A 3 -0.205 -4.176 -6.598 1.00 0.00 C ATOM 33 C LEU A 3 -1.436 -4.920 -7.099 1.00 0.00 C ATOM 34 O LEU A 3 -2.221 -4.389 -7.885 1.00 0.00 O ATOM 35 CB LEU A 3 -0.582 -2.755 -6.179 1.00 0.00 C ATOM 36 CG LEU A 3 -1.708 -2.665 -5.147 1.00 0.00 C ATOM 37 CD1 LEU A 3 -1.619 -1.362 -4.371 1.00 0.00 C ATOM 38 CD2 LEU A 3 -3.064 -2.791 -5.826 1.00 0.00 C ATOM 0 HA LEU A 3 0.187 -4.704 -5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.303 -2.265 -5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.877 -2.196 -7.067 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.597 -3.490 -4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.428 -1.317 -3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.661 -1.311 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.704 -0.522 -5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.853 -2.725 -5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.184 -1.986 -6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.128 -3.752 -6.336 1.00 0.00 H new ATOM 44 N ASN A 4 -1.591 -6.155 -6.641 1.00 0.00 N ATOM 45 CA ASN A 4 -2.719 -6.987 -7.042 1.00 0.00 C ATOM 46 C ASN A 4 -3.949 -6.730 -6.175 1.00 0.00 C ATOM 47 O ASN A 4 -3.860 -6.136 -5.096 1.00 0.00 O ATOM 48 CB ASN A 4 -2.338 -8.459 -6.955 1.00 0.00 C ATOM 49 CG ASN A 4 -1.122 -8.796 -7.796 1.00 0.00 C ATOM 50 OD1 ASN A 4 -0.269 -7.945 -8.044 1.00 0.00 O ATOM 51 ND2 ASN A 4 -1.038 -10.046 -8.240 1.00 0.00 N ATOM 0 H ASN A 4 -0.948 -6.605 -5.989 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.968 -6.727 -8.071 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.140 -8.719 -5.915 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.181 -9.069 -7.280 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -0.243 -10.332 -8.811 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.769 -10.719 -8.010 1.00 0.00 H new ATOM 56 N ILE A 5 -5.097 -7.193 -6.661 1.00 0.00 N ATOM 57 CA ILE A 5 -6.360 -7.030 -5.948 1.00 0.00 C ATOM 58 C ILE A 5 -7.072 -8.366 -5.782 1.00 0.00 C ATOM 59 O ILE A 5 -6.723 -9.358 -6.424 1.00 0.00 O ATOM 60 CB ILE A 5 -7.320 -6.049 -6.669 1.00 0.00 C ATOM 61 CG1 ILE A 5 -6.856 -5.776 -8.110 1.00 0.00 C ATOM 62 CG2 ILE A 5 -7.443 -4.754 -5.881 1.00 0.00 C ATOM 63 CD1 ILE A 5 -5.595 -4.943 -8.209 1.00 0.00 C ATOM 0 H ILE A 5 -5.178 -7.686 -7.550 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.104 -6.618 -4.972 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.305 -6.513 -6.723 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.689 -6.729 -8.613 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.657 -5.268 -8.648 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.120 -4.075 -6.400 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.835 -4.969 -4.887 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.462 -4.288 -5.791 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.337 -4.797 -9.258 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.761 -3.974 -7.738 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.778 -5.458 -7.703 1.00 0.00 H new ATOM 67 N THR A 6 -8.085 -8.373 -4.926 1.00 0.00 N ATOM 68 CA THR A 6 -8.875 -9.571 -4.673 1.00 0.00 C ATOM 69 C THR A 6 -10.357 -9.227 -4.736 1.00 0.00 C ATOM 70 O THR A 6 -11.121 -9.842 -5.481 1.00 0.00 O ATOM 71 CB THR A 6 -8.527 -10.167 -3.307 1.00 0.00 C ATOM 72 OG1 THR A 6 -7.352 -9.574 -2.783 1.00 0.00 O ATOM 73 CG2 THR A 6 -8.307 -11.663 -3.345 1.00 0.00 C ATOM 0 H THR A 6 -8.381 -7.556 -4.391 1.00 0.00 H new ATOM 0 HA THR A 6 -8.645 -10.314 -5.437 1.00 0.00 H new ATOM 0 HB THR A 6 -9.390 -9.958 -2.675 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.804 -10.261 -2.350 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.064 -12.021 -2.344 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.214 -12.155 -3.696 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.484 -11.893 -4.022 1.00 0.00 H new ATOM 78 N SER A 7 -10.745 -8.223 -3.955 1.00 0.00 N ATOM 79 CA SER A 7 -12.126 -7.750 -3.906 1.00 0.00 C ATOM 80 C SER A 7 -13.131 -8.900 -3.914 1.00 0.00 C ATOM 81 O SER A 7 -13.464 -9.444 -4.966 1.00 0.00 O ATOM 82 CB SER A 7 -12.396 -6.802 -5.073 1.00 0.00 C ATOM 83 OG SER A 7 -11.258 -6.006 -5.358 1.00 0.00 O ATOM 0 H SER A 7 -10.112 -7.714 -3.338 1.00 0.00 H new ATOM 0 HA SER A 7 -12.256 -7.215 -2.965 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.672 -7.377 -5.957 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.243 -6.159 -4.835 1.00 0.00 H new ATOM 0 HG SER A 7 -11.543 -5.092 -5.570 1.00 0.00 H new ATOM 89 N LYS A 8 -13.607 -9.263 -2.727 1.00 0.00 N ATOM 90 CA LYS A 8 -14.571 -10.347 -2.585 1.00 0.00 C ATOM 91 C LYS A 8 -15.882 -10.038 -3.313 1.00 0.00 C ATOM 92 O LYS A 8 -16.445 -10.904 -3.983 1.00 0.00 O ATOM 93 CB LYS A 8 -14.838 -10.629 -1.100 1.00 0.00 C ATOM 94 CG LYS A 8 -15.864 -9.702 -0.466 1.00 0.00 C ATOM 95 CD LYS A 8 -15.803 -9.759 1.051 1.00 0.00 C ATOM 96 CE LYS A 8 -17.110 -9.299 1.679 1.00 0.00 C ATOM 97 NZ LYS A 8 -17.158 -9.589 3.138 1.00 0.00 N ATOM 0 H LYS A 8 -13.339 -8.821 -1.848 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.140 -11.236 -3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.179 -11.659 -0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.900 -10.545 -0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.688 -8.680 -0.800 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.863 -9.979 -0.802 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.584 -10.778 1.369 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.986 -9.131 1.407 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.233 -8.228 1.518 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.945 -9.794 1.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -18.064 -9.260 3.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.066 -10.614 3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -16.377 -9.096 3.616 1.00 0.00 H new ATOM 111 N GLN A 9 -16.367 -8.807 -3.172 1.00 0.00 N ATOM 112 CA GLN A 9 -17.617 -8.405 -3.814 1.00 0.00 C ATOM 113 C GLN A 9 -17.366 -7.401 -4.942 1.00 0.00 C ATOM 114 O GLN A 9 -17.144 -7.793 -6.088 1.00 0.00 O ATOM 115 CB GLN A 9 -18.594 -7.823 -2.783 1.00 0.00 C ATOM 116 CG GLN A 9 -17.918 -7.104 -1.626 1.00 0.00 C ATOM 117 CD GLN A 9 -18.904 -6.346 -0.758 1.00 0.00 C ATOM 118 OE1 GLN A 9 -19.295 -5.224 -1.077 1.00 0.00 O ATOM 119 NE2 GLN A 9 -19.312 -6.960 0.347 1.00 0.00 N ATOM 0 H GLN A 9 -15.918 -8.074 -2.623 1.00 0.00 H new ATOM 0 HA GLN A 9 -18.066 -9.296 -4.253 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.266 -7.128 -3.287 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -19.210 -8.630 -2.386 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -17.383 -7.830 -1.014 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -17.175 -6.409 -2.018 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.961 -7.891 0.572 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -19.976 -6.501 0.970 1.00 0.00 H new ATOM 126 N MET A 10 -17.408 -6.106 -4.621 1.00 0.00 N ATOM 127 CA MET A 10 -17.192 -5.062 -5.618 1.00 0.00 C ATOM 128 C MET A 10 -15.941 -5.339 -6.444 1.00 0.00 C ATOM 129 O MET A 10 -14.821 -5.197 -5.958 1.00 0.00 O ATOM 130 CB MET A 10 -17.070 -3.697 -4.946 1.00 0.00 C ATOM 131 CG MET A 10 -16.070 -3.662 -3.804 1.00 0.00 C ATOM 132 SD MET A 10 -15.405 -2.012 -3.515 1.00 0.00 S ATOM 133 CE MET A 10 -14.967 -2.131 -1.785 1.00 0.00 C ATOM 0 H MET A 10 -17.589 -5.758 -3.679 1.00 0.00 H new ATOM 0 HA MET A 10 -18.055 -5.059 -6.284 1.00 0.00 H new ATOM 0 HB2 MET A 10 -16.779 -2.959 -5.694 1.00 0.00 H new ATOM 0 HB3 MET A 10 -18.048 -3.400 -4.569 1.00 0.00 H new ATOM 0 HG2 MET A 10 -16.551 -4.020 -2.894 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.251 -4.347 -4.022 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.175 -1.416 -1.560 1.00 0.00 H new ATOM 0 HE2 MET A 10 -15.841 -1.909 -1.172 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.618 -3.140 -1.567 1.00 0.00 H new ATOM 143 N ASP A 11 -16.136 -5.732 -7.696 1.00 0.00 N ATOM 144 CA ASP A 11 -15.012 -6.021 -8.575 1.00 0.00 C ATOM 145 C ASP A 11 -14.108 -4.801 -8.710 1.00 0.00 C ATOM 146 O ASP A 11 -14.435 -3.721 -8.218 1.00 0.00 O ATOM 147 CB ASP A 11 -15.507 -6.465 -9.953 1.00 0.00 C ATOM 148 CG ASP A 11 -16.616 -5.577 -10.485 1.00 0.00 C ATOM 149 OD1 ASP A 11 -16.745 -4.434 -9.999 1.00 0.00 O ATOM 150 OD2 ASP A 11 -17.355 -6.025 -11.385 1.00 0.00 O ATOM 0 H ASP A 11 -17.054 -5.857 -8.122 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.436 -6.834 -8.133 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.673 -6.459 -10.655 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -15.866 -7.493 -9.893 1.00 0.00 H new ATOM 155 N ILE A 12 -12.973 -4.973 -9.379 1.00 0.00 N ATOM 156 CA ILE A 12 -12.038 -3.869 -9.569 1.00 0.00 C ATOM 157 C ILE A 12 -12.328 -3.135 -10.869 1.00 0.00 C ATOM 158 O ILE A 12 -12.725 -3.739 -11.865 1.00 0.00 O ATOM 159 CB ILE A 12 -10.550 -4.309 -9.570 1.00 0.00 C ATOM 160 CG1 ILE A 12 -10.402 -5.827 -9.407 1.00 0.00 C ATOM 161 CG2 ILE A 12 -9.780 -3.589 -8.468 1.00 0.00 C ATOM 162 CD1 ILE A 12 -10.935 -6.352 -8.091 1.00 0.00 C ATOM 0 H ILE A 12 -12.680 -5.857 -9.795 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.188 -3.211 -8.713 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.132 -4.036 -10.539 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.924 -6.324 -10.225 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.348 -6.092 -9.494 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.738 -3.909 -8.483 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.831 -2.513 -8.632 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.220 -3.830 -7.500 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.796 -7.432 -8.047 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.396 -5.883 -7.267 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.997 -6.119 -8.010 1.00 0.00 H new ATOM 166 N THR A 13 -12.123 -1.828 -10.845 1.00 0.00 N ATOM 167 CA THR A 13 -12.354 -0.990 -12.009 1.00 0.00 C ATOM 168 C THR A 13 -11.308 0.119 -12.076 1.00 0.00 C ATOM 169 O THR A 13 -10.507 0.276 -11.155 1.00 0.00 O ATOM 170 CB THR A 13 -13.759 -0.393 -11.945 1.00 0.00 C ATOM 171 OG1 THR A 13 -14.260 -0.430 -10.620 1.00 0.00 O ATOM 172 CG2 THR A 13 -14.757 -1.106 -12.832 1.00 0.00 C ATOM 0 H THR A 13 -11.794 -1.321 -10.023 1.00 0.00 H new ATOM 0 HA THR A 13 -12.269 -1.599 -12.909 1.00 0.00 H new ATOM 0 HB THR A 13 -13.651 0.632 -12.300 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.160 -0.042 -10.599 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.733 -0.630 -12.737 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.426 -1.052 -13.869 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.832 -2.150 -12.529 1.00 0.00 H new ATOM 177 N PRO A 14 -11.294 0.909 -13.168 1.00 0.00 N ATOM 178 CA PRO A 14 -10.335 2.003 -13.338 1.00 0.00 C ATOM 179 C PRO A 14 -10.105 2.793 -12.053 1.00 0.00 C ATOM 180 O PRO A 14 -8.964 3.014 -11.648 1.00 0.00 O ATOM 181 CB PRO A 14 -11.008 2.877 -14.389 1.00 0.00 C ATOM 182 CG PRO A 14 -11.763 1.913 -15.240 1.00 0.00 C ATOM 183 CD PRO A 14 -12.209 0.800 -14.324 1.00 0.00 C ATOM 0 HA PRO A 14 -9.345 1.643 -13.619 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.673 3.609 -13.931 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.275 3.434 -14.973 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -12.619 2.397 -15.710 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.134 1.528 -16.043 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.250 0.922 -14.024 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.128 -0.173 -14.808 1.00 0.00 H new ATOM 191 N ALA A 15 -11.193 3.212 -11.411 1.00 0.00 N ATOM 192 CA ALA A 15 -11.099 3.972 -10.168 1.00 0.00 C ATOM 193 C ALA A 15 -10.209 3.251 -9.162 1.00 0.00 C ATOM 194 O ALA A 15 -9.064 3.645 -8.941 1.00 0.00 O ATOM 195 CB ALA A 15 -12.485 4.210 -9.585 1.00 0.00 C ATOM 0 H ALA A 15 -12.146 3.039 -11.730 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.647 4.939 -10.389 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.397 4.778 -8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.089 4.771 -10.299 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.963 3.252 -9.380 1.00 0.00 H new ATOM 201 N ILE A 16 -10.732 2.181 -8.567 1.00 0.00 N ATOM 202 CA ILE A 16 -9.970 1.396 -7.601 1.00 0.00 C ATOM 203 C ILE A 16 -8.593 1.059 -8.168 1.00 0.00 C ATOM 204 O ILE A 16 -7.572 1.512 -7.654 1.00 0.00 O ATOM 205 CB ILE A 16 -10.701 0.079 -7.243 1.00 0.00 C ATOM 206 CG1 ILE A 16 -11.746 0.313 -6.160 1.00 0.00 C ATOM 207 CG2 ILE A 16 -9.720 -0.987 -6.777 1.00 0.00 C ATOM 208 CD1 ILE A 16 -13.094 0.738 -6.701 1.00 0.00 C ATOM 0 H ILE A 16 -11.678 1.839 -8.737 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.866 1.997 -6.698 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.197 -0.271 -8.148 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.868 -0.602 -5.581 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.381 1.078 -5.474 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.263 -1.900 -6.533 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -9.002 -1.193 -7.571 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.191 -0.633 -5.893 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.788 0.886 -5.874 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -12.986 1.670 -7.256 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -13.480 -0.036 -7.364 1.00 0.00 H new ATOM 212 N ARG A 17 -8.586 0.262 -9.239 1.00 0.00 N ATOM 213 CA ARG A 17 -7.346 -0.150 -9.894 1.00 0.00 C ATOM 214 C ARG A 17 -6.345 1.003 -9.938 1.00 0.00 C ATOM 215 O ARG A 17 -5.248 0.912 -9.386 1.00 0.00 O ATOM 216 CB ARG A 17 -7.638 -0.636 -11.315 1.00 0.00 C ATOM 217 CG ARG A 17 -6.482 -1.391 -11.948 1.00 0.00 C ATOM 218 CD ARG A 17 -6.791 -1.788 -13.384 1.00 0.00 C ATOM 219 NE ARG A 17 -6.968 -3.231 -13.527 1.00 0.00 N ATOM 220 CZ ARG A 17 -7.350 -3.822 -14.657 1.00 0.00 C ATOM 221 NH1 ARG A 17 -7.598 -3.099 -15.742 1.00 0.00 N ATOM 222 NH2 ARG A 17 -7.486 -5.141 -14.702 1.00 0.00 N ATOM 0 H ARG A 17 -9.431 -0.112 -9.672 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.911 -0.965 -9.316 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.516 -1.282 -11.296 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.887 0.222 -11.940 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.586 -0.770 -11.926 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.265 -2.284 -11.362 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.695 -1.277 -13.715 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.982 -1.456 -14.034 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.788 -3.820 -12.714 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.496 -2.085 -15.713 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.890 -3.558 -16.605 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.298 -5.702 -13.871 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.779 -5.594 -15.568 1.00 0.00 H new ATOM 236 N GLU A 18 -6.745 2.093 -10.587 1.00 0.00 N ATOM 237 CA GLU A 18 -5.896 3.273 -10.696 1.00 0.00 C ATOM 238 C GLU A 18 -5.561 3.819 -9.313 1.00 0.00 C ATOM 239 O GLU A 18 -4.437 4.251 -9.061 1.00 0.00 O ATOM 240 CB GLU A 18 -6.591 4.352 -11.530 1.00 0.00 C ATOM 241 CG GLU A 18 -5.767 5.620 -11.695 1.00 0.00 C ATOM 242 CD GLU A 18 -6.557 6.751 -12.324 1.00 0.00 C ATOM 243 OE1 GLU A 18 -7.618 6.473 -12.922 1.00 0.00 O ATOM 244 OE2 GLU A 18 -6.115 7.914 -12.220 1.00 0.00 O ATOM 0 H GLU A 18 -7.652 2.183 -11.045 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.969 2.985 -11.192 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.819 3.946 -12.516 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.542 4.605 -11.061 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.397 5.938 -10.720 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.895 5.404 -12.312 1.00 0.00 H new ATOM 251 N HIS A 19 -6.541 3.780 -8.413 1.00 0.00 N ATOM 252 CA HIS A 19 -6.348 4.252 -7.053 1.00 0.00 C ATOM 253 C HIS A 19 -5.269 3.418 -6.375 1.00 0.00 C ATOM 254 O HIS A 19 -4.165 3.900 -6.120 1.00 0.00 O ATOM 255 CB HIS A 19 -7.666 4.155 -6.291 1.00 0.00 C ATOM 256 CG HIS A 19 -7.748 5.028 -5.092 1.00 0.00 C ATOM 257 ND1 HIS A 19 -7.176 6.280 -5.008 1.00 0.00 N ATOM 258 CD2 HIS A 19 -8.370 4.817 -3.924 1.00 0.00 C ATOM 259 CE1 HIS A 19 -7.448 6.802 -3.824 1.00 0.00 C ATOM 260 NE2 HIS A 19 -8.173 5.931 -3.145 1.00 0.00 N ATOM 0 H HIS A 19 -7.477 3.425 -8.606 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.027 5.294 -7.062 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.482 4.410 -6.967 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.818 3.121 -5.983 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -6.630 6.731 -5.742 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.925 3.933 -3.646 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.132 7.773 -3.473 1.00 0.00 H new ATOM 269 N LEU A 20 -5.588 2.151 -6.114 1.00 0.00 N ATOM 270 CA LEU A 20 -4.636 1.228 -5.498 1.00 0.00 C ATOM 271 C LEU A 20 -3.277 1.335 -6.183 1.00 0.00 C ATOM 272 O LEU A 20 -2.247 1.506 -5.528 1.00 0.00 O ATOM 273 CB LEU A 20 -5.148 -0.210 -5.586 1.00 0.00 C ATOM 274 CG LEU A 20 -6.664 -0.371 -5.422 1.00 0.00 C ATOM 275 CD1 LEU A 20 -7.084 -1.827 -5.531 1.00 0.00 C ATOM 276 CD2 LEU A 20 -7.112 0.211 -4.097 1.00 0.00 C ATOM 0 H LEU A 20 -6.499 1.740 -6.320 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.528 1.499 -4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.856 -0.625 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.650 -0.804 -4.820 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.149 0.175 -6.232 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.165 -1.904 -5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.800 -2.215 -6.509 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.589 -2.408 -4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.190 0.090 -3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.608 -0.309 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.860 1.271 -4.061 1.00 0.00 H new ATOM 282 N GLU A 21 -3.288 1.253 -7.513 1.00 0.00 N ATOM 283 CA GLU A 21 -2.062 1.359 -8.295 1.00 0.00 C ATOM 284 C GLU A 21 -1.348 2.667 -7.980 1.00 0.00 C ATOM 285 O GLU A 21 -0.170 2.674 -7.618 1.00 0.00 O ATOM 286 CB GLU A 21 -2.375 1.276 -9.789 1.00 0.00 C ATOM 287 CG GLU A 21 -2.655 -0.138 -10.272 1.00 0.00 C ATOM 288 CD GLU A 21 -2.692 -0.242 -11.784 1.00 0.00 C ATOM 289 OE1 GLU A 21 -3.255 0.669 -12.428 1.00 0.00 O ATOM 290 OE2 GLU A 21 -2.158 -1.233 -12.324 1.00 0.00 O ATOM 0 H GLU A 21 -4.132 1.114 -8.069 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.408 0.529 -8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.239 1.904 -10.007 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.535 1.684 -10.351 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.888 -0.809 -9.884 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.609 -0.475 -9.865 1.00 0.00 H new ATOM 297 N GLU A 22 -2.077 3.776 -8.099 1.00 0.00 N ATOM 298 CA GLU A 22 -1.515 5.090 -7.807 1.00 0.00 C ATOM 299 C GLU A 22 -0.923 5.105 -6.402 1.00 0.00 C ATOM 300 O GLU A 22 0.192 5.584 -6.189 1.00 0.00 O ATOM 301 CB GLU A 22 -2.586 6.178 -7.934 1.00 0.00 C ATOM 302 CG GLU A 22 -2.788 6.668 -9.360 1.00 0.00 C ATOM 303 CD GLU A 22 -2.870 8.179 -9.451 1.00 0.00 C ATOM 304 OE1 GLU A 22 -3.352 8.807 -8.484 1.00 0.00 O ATOM 305 OE2 GLU A 22 -2.454 8.735 -10.488 1.00 0.00 O ATOM 0 H GLU A 22 -3.053 3.789 -8.394 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.726 5.295 -8.531 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.532 5.792 -7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.310 7.023 -7.304 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.965 6.314 -9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.702 6.233 -9.764 1.00 0.00 H new ATOM 312 N ARG A 23 -1.672 4.553 -5.447 1.00 0.00 N ATOM 313 CA ARG A 23 -1.213 4.482 -4.068 1.00 0.00 C ATOM 314 C ARG A 23 0.100 3.712 -3.999 1.00 0.00 C ATOM 315 O ARG A 23 1.050 4.140 -3.343 1.00 0.00 O ATOM 316 CB ARG A 23 -2.266 3.811 -3.186 1.00 0.00 C ATOM 317 CG ARG A 23 -3.476 4.690 -2.906 1.00 0.00 C ATOM 318 CD ARG A 23 -3.074 6.103 -2.510 1.00 0.00 C ATOM 319 NE ARG A 23 -4.089 6.750 -1.682 1.00 0.00 N ATOM 320 CZ ARG A 23 -3.872 7.855 -0.971 1.00 0.00 C ATOM 321 NH1 ARG A 23 -2.679 8.436 -0.983 1.00 0.00 N ATOM 322 NH2 ARG A 23 -4.850 8.379 -0.246 1.00 0.00 N ATOM 0 H ARG A 23 -2.596 4.151 -5.607 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.052 5.495 -3.700 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.599 2.892 -3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.807 3.527 -2.239 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.109 4.728 -3.792 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.071 4.245 -2.108 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.129 6.072 -1.967 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.906 6.697 -3.408 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.018 6.331 -1.646 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.923 8.036 -1.539 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.518 9.282 -0.437 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.769 7.936 -0.233 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.684 9.225 0.299 1.00 0.00 H new ATOM 336 N LEU A 24 0.151 2.585 -4.706 1.00 0.00 N ATOM 337 CA LEU A 24 1.359 1.773 -4.747 1.00 0.00 C ATOM 338 C LEU A 24 2.500 2.590 -5.337 1.00 0.00 C ATOM 339 O LEU A 24 3.609 2.613 -4.800 1.00 0.00 O ATOM 340 CB LEU A 24 1.130 0.509 -5.579 1.00 0.00 C ATOM 341 CG LEU A 24 2.372 -0.359 -5.798 1.00 0.00 C ATOM 342 CD1 LEU A 24 2.473 -1.428 -4.718 1.00 0.00 C ATOM 343 CD2 LEU A 24 2.345 -0.994 -7.183 1.00 0.00 C ATOM 0 H LEU A 24 -0.627 2.217 -5.254 1.00 0.00 H new ATOM 0 HA LEU A 24 1.617 1.471 -3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.365 -0.095 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.733 0.800 -6.552 1.00 0.00 H new ATOM 0 HG LEU A 24 3.254 0.279 -5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.362 -2.036 -4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.542 -0.952 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.588 -2.063 -4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.236 -1.607 -7.320 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.457 -1.618 -7.280 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.323 -0.212 -7.942 1.00 0.00 H new ATOM 349 N ALA A 25 2.209 3.280 -6.437 1.00 0.00 N ATOM 350 CA ALA A 25 3.199 4.124 -7.089 1.00 0.00 C ATOM 351 C ALA A 25 3.680 5.196 -6.121 1.00 0.00 C ATOM 352 O ALA A 25 4.851 5.576 -6.125 1.00 0.00 O ATOM 353 CB ALA A 25 2.618 4.758 -8.344 1.00 0.00 C ATOM 0 H ALA A 25 1.297 3.269 -6.893 1.00 0.00 H new ATOM 0 HA ALA A 25 4.049 3.508 -7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.373 5.385 -8.818 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.309 3.976 -9.037 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.755 5.368 -8.077 1.00 0.00 H new ATOM 359 N LYS A 26 2.764 5.662 -5.275 1.00 0.00 N ATOM 360 CA LYS A 26 3.088 6.671 -4.280 1.00 0.00 C ATOM 361 C LYS A 26 3.958 6.057 -3.190 1.00 0.00 C ATOM 362 O LYS A 26 4.901 6.681 -2.705 1.00 0.00 O ATOM 363 CB LYS A 26 1.810 7.255 -3.672 1.00 0.00 C ATOM 364 CG LYS A 26 1.789 8.775 -3.648 1.00 0.00 C ATOM 365 CD LYS A 26 1.554 9.351 -5.035 1.00 0.00 C ATOM 366 CE LYS A 26 2.863 9.717 -5.719 1.00 0.00 C ATOM 367 NZ LYS A 26 2.953 11.176 -6.004 1.00 0.00 N ATOM 0 H LYS A 26 1.792 5.354 -5.262 1.00 0.00 H new ATOM 0 HA LYS A 26 3.637 7.479 -4.763 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.951 6.897 -4.239 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.698 6.882 -2.654 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.005 9.118 -2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.735 9.147 -3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.015 8.626 -5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.922 10.236 -4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.699 9.419 -5.086 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.954 9.159 -6.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.859 11.383 -6.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.170 11.457 -6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.892 11.708 -5.113 1.00 0.00 H new ATOM 381 N LEU A 27 3.641 4.817 -2.823 1.00 0.00 N ATOM 382 CA LEU A 27 4.404 4.104 -1.807 1.00 0.00 C ATOM 383 C LEU A 27 5.722 3.592 -2.386 1.00 0.00 C ATOM 384 O LEU A 27 6.591 3.121 -1.654 1.00 0.00 O ATOM 385 CB LEU A 27 3.588 2.940 -1.229 1.00 0.00 C ATOM 386 CG LEU A 27 2.807 3.270 0.048 1.00 0.00 C ATOM 387 CD1 LEU A 27 2.202 2.007 0.643 1.00 0.00 C ATOM 388 CD2 LEU A 27 3.703 3.964 1.067 1.00 0.00 C ATOM 0 H LEU A 27 2.862 4.288 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 27 4.627 4.801 -0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.886 2.596 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.264 2.110 -1.020 1.00 0.00 H new ATOM 0 HG LEU A 27 1.998 3.952 -0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.651 2.259 1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.524 1.553 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.997 1.302 0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.127 4.188 1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.536 3.310 1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.088 4.891 0.642 1.00 0.00 H new ATOM 394 N GLY A 28 5.868 3.693 -3.707 1.00 0.00 N ATOM 395 CA GLY A 28 7.085 3.245 -4.353 1.00 0.00 C ATOM 396 C GLY A 28 8.298 4.042 -3.914 1.00 0.00 C ATOM 397 O GLY A 28 9.407 3.513 -3.847 1.00 0.00 O ATOM 0 H GLY A 28 5.164 4.077 -4.337 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.246 2.191 -4.129 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.971 3.327 -5.434 1.00 0.00 H new ATOM 401 N LYS A 29 8.083 5.319 -3.612 1.00 0.00 N ATOM 402 CA LYS A 29 9.168 6.193 -3.175 1.00 0.00 C ATOM 403 C LYS A 29 9.506 5.973 -1.701 1.00 0.00 C ATOM 404 O LYS A 29 10.493 6.509 -1.196 1.00 0.00 O ATOM 405 CB LYS A 29 8.805 7.663 -3.415 1.00 0.00 C ATOM 406 CG LYS A 29 7.740 8.214 -2.474 1.00 0.00 C ATOM 407 CD LYS A 29 8.145 9.564 -1.904 1.00 0.00 C ATOM 408 CE LYS A 29 7.186 10.020 -0.816 1.00 0.00 C ATOM 409 NZ LYS A 29 7.624 11.296 -0.188 1.00 0.00 N ATOM 0 H LYS A 29 7.170 5.771 -3.661 1.00 0.00 H new ATOM 0 HA LYS A 29 10.049 5.942 -3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.707 8.267 -3.316 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.457 7.775 -4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.796 8.312 -3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.573 7.509 -1.659 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.154 9.500 -1.497 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.169 10.305 -2.703 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.190 10.148 -1.240 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.110 9.247 -0.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.943 11.572 0.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.563 11.168 0.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.672 12.041 -0.912 1.00 0.00 H new ATOM 423 N TRP A 30 8.685 5.185 -1.015 1.00 0.00 N ATOM 424 CA TRP A 30 8.901 4.900 0.395 1.00 0.00 C ATOM 425 C TRP A 30 9.965 3.822 0.574 1.00 0.00 C ATOM 426 O TRP A 30 9.649 2.636 0.551 1.00 0.00 O ATOM 427 CB TRP A 30 7.591 4.459 1.044 1.00 0.00 C ATOM 428 CG TRP A 30 6.761 5.606 1.537 1.00 0.00 C ATOM 429 CD1 TRP A 30 5.860 6.343 0.821 1.00 0.00 C ATOM 430 CD2 TRP A 30 6.766 6.152 2.856 1.00 0.00 C ATOM 431 NE1 TRP A 30 5.301 7.310 1.622 1.00 0.00 N ATOM 432 CE2 TRP A 30 5.842 7.214 2.877 1.00 0.00 C ATOM 433 CE3 TRP A 30 7.461 5.842 4.022 1.00 0.00 C ATOM 434 CZ2 TRP A 30 5.600 7.965 4.026 1.00 0.00 C ATOM 435 CZ3 TRP A 30 7.223 6.588 5.160 1.00 0.00 C ATOM 436 CH2 TRP A 30 6.299 7.638 5.155 1.00 0.00 C ATOM 0 H TRP A 30 7.863 4.733 -1.415 1.00 0.00 H new ATOM 0 HA TRP A 30 9.252 5.810 0.881 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.011 3.883 0.323 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.812 3.794 1.879 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.622 6.188 -0.221 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.598 7.989 1.330 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.175 5.031 4.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.886 8.776 4.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.759 6.357 6.069 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.134 8.202 6.061 1.00 0.00 H new ATOM 447 N GLN A 31 11.225 4.256 0.740 1.00 0.00 N ATOM 448 CA GLN A 31 12.371 3.349 0.917 1.00 0.00 C ATOM 449 C GLN A 31 11.950 1.989 1.465 1.00 0.00 C ATOM 450 O GLN A 31 12.081 1.717 2.659 1.00 0.00 O ATOM 451 CB GLN A 31 13.412 3.983 1.846 1.00 0.00 C ATOM 452 CG GLN A 31 12.844 4.464 3.175 1.00 0.00 C ATOM 453 CD GLN A 31 12.024 5.732 3.036 1.00 0.00 C ATOM 454 OE1 GLN A 31 10.883 5.800 3.494 1.00 0.00 O ATOM 455 NE2 GLN A 31 12.604 6.745 2.403 1.00 0.00 N ATOM 0 H GLN A 31 11.478 5.244 0.755 1.00 0.00 H new ATOM 0 HA GLN A 31 12.808 3.188 -0.068 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.201 3.256 2.041 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.875 4.826 1.334 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.222 3.679 3.605 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.663 4.640 3.873 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.552 6.644 2.040 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.102 7.624 2.280 1.00 0.00 H new ATOM 462 N THR A 32 11.426 1.147 0.583 1.00 0.00 N ATOM 463 CA THR A 32 10.962 -0.167 0.964 1.00 0.00 C ATOM 464 C THR A 32 10.883 -1.079 -0.260 1.00 0.00 C ATOM 465 O THR A 32 11.025 -0.626 -1.395 1.00 0.00 O ATOM 466 CB THR A 32 9.592 -0.029 1.631 1.00 0.00 C ATOM 467 OG1 THR A 32 9.699 0.731 2.819 1.00 0.00 O ATOM 468 CG2 THR A 32 8.943 -1.345 1.991 1.00 0.00 C ATOM 0 H THR A 32 11.314 1.360 -0.408 1.00 0.00 H new ATOM 0 HA THR A 32 11.662 -0.618 1.667 1.00 0.00 H new ATOM 0 HB THR A 32 8.965 0.462 0.887 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.878 0.133 3.575 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.976 -1.158 2.459 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.800 -1.939 1.088 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.583 -1.888 2.686 1.00 0.00 H new ATOM 473 N GLN A 33 10.638 -2.358 -0.018 1.00 0.00 N ATOM 474 CA GLN A 33 10.513 -3.340 -1.076 1.00 0.00 C ATOM 475 C GLN A 33 9.110 -3.882 -1.039 1.00 0.00 C ATOM 476 O GLN A 33 8.744 -4.615 -0.123 1.00 0.00 O ATOM 477 CB GLN A 33 11.505 -4.481 -0.883 1.00 0.00 C ATOM 478 CG GLN A 33 12.597 -4.544 -1.929 1.00 0.00 C ATOM 479 CD GLN A 33 13.891 -3.924 -1.449 1.00 0.00 C ATOM 480 OE1 GLN A 33 13.784 -2.800 -0.754 1.00 0.00 O flip ATOM 481 NE2 GLN A 33 14.975 -4.450 -1.700 1.00 0.00 N flip ATOM 0 H GLN A 33 10.521 -2.741 0.920 1.00 0.00 H new ATOM 0 HA GLN A 33 10.726 -2.870 -2.036 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.966 -4.383 0.100 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.960 -5.425 -0.887 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.775 -5.584 -2.203 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.263 -4.030 -2.830 1.00 0.00 H new ATOM 0 HE21 GLN A 33 15.009 -5.316 -2.239 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.839 -4.020 -1.369 1.00 0.00 H new ATOM 488 N LEU A 34 8.315 -3.494 -2.005 1.00 0.00 N ATOM 489 CA LEU A 34 6.938 -3.921 -2.040 1.00 0.00 C ATOM 490 C LEU A 34 6.834 -5.372 -2.486 1.00 0.00 C ATOM 491 O LEU A 34 6.252 -5.679 -3.526 1.00 0.00 O ATOM 492 CB LEU A 34 6.110 -3.012 -2.952 1.00 0.00 C ATOM 493 CG LEU A 34 6.577 -1.551 -3.033 1.00 0.00 C ATOM 494 CD1 LEU A 34 7.147 -1.085 -1.697 1.00 0.00 C ATOM 495 CD2 LEU A 34 7.604 -1.387 -4.147 1.00 0.00 C ATOM 0 H LEU A 34 8.596 -2.886 -2.774 1.00 0.00 H new ATOM 0 HA LEU A 34 6.534 -3.847 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.116 -3.433 -3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.076 -3.026 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 34 5.714 -0.926 -3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.470 -0.047 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.380 -1.165 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.999 -1.710 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.927 -0.347 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.464 -2.025 -3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.156 -1.671 -5.099 1.00 0.00 H new ATOM 501 N ILE A 35 7.406 -6.258 -1.682 1.00 0.00 N ATOM 502 CA ILE A 35 7.389 -7.680 -1.969 1.00 0.00 C ATOM 503 C ILE A 35 5.963 -8.198 -2.081 1.00 0.00 C ATOM 504 O ILE A 35 5.244 -8.290 -1.085 1.00 0.00 O ATOM 505 CB ILE A 35 8.136 -8.462 -0.880 1.00 0.00 C ATOM 506 CG1 ILE A 35 9.565 -7.915 -0.743 1.00 0.00 C ATOM 507 CG2 ILE A 35 8.143 -9.954 -1.206 1.00 0.00 C ATOM 508 CD1 ILE A 35 10.525 -8.890 -0.102 1.00 0.00 C ATOM 0 H ILE A 35 7.891 -6.011 -0.819 1.00 0.00 H new ATOM 0 HA ILE A 35 7.892 -7.829 -2.924 1.00 0.00 H new ATOM 0 HB ILE A 35 7.624 -8.335 0.074 1.00 0.00 H new ATOM 0 HG12 ILE A 35 9.939 -7.646 -1.731 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.540 -7.000 -0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.676 -10.495 -0.424 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.117 -10.319 -1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.640 -10.115 -2.163 1.00 0.00 H new ATOM 0 HD11 ILE A 35 11.514 -8.437 -0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.175 -9.141 0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.579 -9.797 -0.705 1.00 0.00 H new ATOM 512 N SER A 36 5.561 -8.536 -3.301 1.00 0.00 N ATOM 513 CA SER A 36 4.218 -9.048 -3.559 1.00 0.00 C ATOM 514 C SER A 36 3.166 -8.241 -2.805 1.00 0.00 C ATOM 515 O SER A 36 2.810 -8.556 -1.669 1.00 0.00 O ATOM 516 CB SER A 36 4.137 -10.524 -3.170 1.00 0.00 C ATOM 517 OG SER A 36 2.795 -10.979 -3.157 1.00 0.00 O ATOM 0 H SER A 36 6.149 -8.464 -4.132 1.00 0.00 H new ATOM 0 HA SER A 36 4.014 -8.949 -4.625 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.719 -11.120 -3.873 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.582 -10.668 -2.185 1.00 0.00 H new ATOM 0 HG SER A 36 2.773 -11.926 -2.907 1.00 0.00 H new ATOM 523 N PRO A 37 2.675 -7.174 -3.441 1.00 0.00 N ATOM 524 CA PRO A 37 1.681 -6.280 -2.875 1.00 0.00 C ATOM 525 C PRO A 37 0.257 -6.620 -3.302 1.00 0.00 C ATOM 526 O PRO A 37 -0.038 -6.725 -4.494 1.00 0.00 O ATOM 527 CB PRO A 37 2.104 -4.937 -3.464 1.00 0.00 C ATOM 528 CG PRO A 37 2.743 -5.268 -4.784 1.00 0.00 C ATOM 529 CD PRO A 37 3.071 -6.735 -4.781 1.00 0.00 C ATOM 0 HA PRO A 37 1.652 -6.322 -1.786 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.246 -4.278 -3.596 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.804 -4.422 -2.806 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.068 -5.029 -5.606 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.646 -4.675 -4.931 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.523 -7.270 -5.556 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.132 -6.909 -4.963 1.00 0.00 H new ATOM 537 N HIS A 38 -0.627 -6.778 -2.323 1.00 0.00 N ATOM 538 CA HIS A 38 -2.025 -7.090 -2.593 1.00 0.00 C ATOM 539 C HIS A 38 -2.939 -6.067 -1.953 1.00 0.00 C ATOM 540 O HIS A 38 -2.510 -5.240 -1.148 1.00 0.00 O ATOM 541 CB HIS A 38 -2.392 -8.469 -2.056 1.00 0.00 C ATOM 542 CG HIS A 38 -2.677 -9.479 -3.117 1.00 0.00 C ATOM 543 ND1 HIS A 38 -1.977 -10.658 -3.232 1.00 0.00 N ATOM 544 CD2 HIS A 38 -3.606 -9.496 -4.100 1.00 0.00 C ATOM 545 CE1 HIS A 38 -2.464 -11.359 -4.239 1.00 0.00 C ATOM 546 NE2 HIS A 38 -3.453 -10.676 -4.783 1.00 0.00 N ATOM 0 H HIS A 38 -0.399 -6.695 -1.332 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.154 -7.074 -3.675 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.576 -8.833 -1.432 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.267 -8.376 -1.413 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.333 -8.725 -4.308 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.112 -12.328 -4.563 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -4.013 -10.976 -5.581 1.00 0.00 H new ATOM 555 N PHE A 39 -4.209 -6.156 -2.298 1.00 0.00 N ATOM 556 CA PHE A 39 -5.210 -5.267 -1.745 1.00 0.00 C ATOM 557 C PHE A 39 -6.578 -5.939 -1.708 1.00 0.00 C ATOM 558 O PHE A 39 -7.262 -6.034 -2.727 1.00 0.00 O ATOM 559 CB PHE A 39 -5.274 -3.965 -2.531 1.00 0.00 C ATOM 560 CG PHE A 39 -4.624 -2.806 -1.826 1.00 0.00 C ATOM 561 CD1 PHE A 39 -3.246 -2.653 -1.830 1.00 0.00 C ATOM 562 CD2 PHE A 39 -5.397 -1.872 -1.157 1.00 0.00 C ATOM 563 CE1 PHE A 39 -2.652 -1.587 -1.179 1.00 0.00 C ATOM 564 CE2 PHE A 39 -4.809 -0.804 -0.505 1.00 0.00 C ATOM 565 CZ PHE A 39 -3.436 -0.662 -0.517 1.00 0.00 C ATOM 0 H PHE A 39 -4.572 -6.839 -2.962 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.919 -5.034 -0.721 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.791 -4.109 -3.498 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.318 -3.720 -2.729 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.630 -3.374 -2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.472 -1.979 -1.144 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.578 -1.478 -1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.423 -0.082 0.013 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.975 0.172 -0.009 1.00 0.00 H new ATOM 575 N VAL A 40 -6.973 -6.391 -0.523 1.00 0.00 N ATOM 576 CA VAL A 40 -8.255 -7.037 -0.338 1.00 0.00 C ATOM 577 C VAL A 40 -9.315 -5.988 -0.030 1.00 0.00 C ATOM 578 O VAL A 40 -9.509 -5.593 1.122 1.00 0.00 O ATOM 579 CB VAL A 40 -8.187 -8.064 0.803 1.00 0.00 C ATOM 580 CG1 VAL A 40 -9.483 -8.838 0.889 1.00 0.00 C ATOM 581 CG2 VAL A 40 -7.004 -9.002 0.606 1.00 0.00 C ATOM 0 H VAL A 40 -6.414 -6.318 0.327 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.518 -7.562 -1.256 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.043 -7.533 1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.421 -9.562 1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.306 -8.149 1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.657 -9.361 -0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.971 -9.723 1.423 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.113 -9.531 -0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.080 -8.424 0.594 1.00 0.00 H new ATOM 585 N LEU A 41 -9.963 -5.515 -1.085 1.00 0.00 N ATOM 586 CA LEU A 41 -10.980 -4.475 -0.978 1.00 0.00 C ATOM 587 C LEU A 41 -12.386 -5.050 -0.862 1.00 0.00 C ATOM 588 O LEU A 41 -12.736 -6.005 -1.548 1.00 0.00 O ATOM 589 CB LEU A 41 -10.905 -3.586 -2.215 1.00 0.00 C ATOM 590 CG LEU A 41 -11.723 -2.302 -2.155 1.00 0.00 C ATOM 591 CD1 LEU A 41 -10.923 -1.183 -1.506 1.00 0.00 C ATOM 592 CD2 LEU A 41 -12.167 -1.910 -3.555 1.00 0.00 C ATOM 0 H LEU A 41 -9.800 -5.840 -2.038 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.782 -3.905 -0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.862 -3.323 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.235 -4.166 -3.077 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.608 -2.475 -1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.526 -0.276 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.649 -1.473 -0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.020 -0.997 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -12.752 -0.991 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.291 -1.750 -4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -12.777 -2.707 -3.980 1.00 0.00 H new ATOM 598 N ASN A 42 -13.202 -4.438 -0.012 1.00 0.00 N ATOM 599 CA ASN A 42 -14.582 -4.877 0.154 1.00 0.00 C ATOM 600 C ASN A 42 -15.490 -3.729 0.568 1.00 0.00 C ATOM 601 O ASN A 42 -15.035 -2.682 1.030 1.00 0.00 O ATOM 602 CB ASN A 42 -14.698 -6.014 1.168 1.00 0.00 C ATOM 603 CG ASN A 42 -13.640 -7.075 0.971 1.00 0.00 C ATOM 604 OD1 ASN A 42 -13.607 -7.755 -0.054 1.00 0.00 O ATOM 605 ND2 ASN A 42 -12.770 -7.226 1.957 1.00 0.00 N ATOM 0 H ASN A 42 -12.935 -3.643 0.569 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.906 -5.246 -0.819 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -14.617 -5.607 2.176 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -15.685 -6.470 1.087 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.034 -7.929 1.885 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.835 -6.640 2.789 1.00 0.00 H new ATOM 610 N LYS A 43 -16.783 -3.945 0.403 1.00 0.00 N ATOM 611 CA LYS A 43 -17.784 -2.949 0.759 1.00 0.00 C ATOM 612 C LYS A 43 -18.841 -3.573 1.654 1.00 0.00 C ATOM 613 O LYS A 43 -18.967 -4.795 1.728 1.00 0.00 O ATOM 614 CB LYS A 43 -18.468 -2.381 -0.492 1.00 0.00 C ATOM 615 CG LYS A 43 -19.906 -1.922 -0.240 1.00 0.00 C ATOM 616 CD LYS A 43 -20.514 -1.269 -1.471 1.00 0.00 C ATOM 617 CE LYS A 43 -20.626 -2.249 -2.627 1.00 0.00 C ATOM 618 NZ LYS A 43 -21.626 -3.318 -2.354 1.00 0.00 N ATOM 0 H LYS A 43 -17.169 -4.809 0.021 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.277 -2.140 1.284 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -17.885 -1.539 -0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.468 -3.140 -1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.514 -2.777 0.056 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -19.922 -1.217 0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -21.502 -0.880 -1.226 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -19.902 -0.419 -1.772 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -20.907 -1.712 -3.533 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -19.652 -2.702 -2.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -22.061 -3.623 -3.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -21.154 -4.128 -1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -22.363 -2.950 -1.719 1.00 0.00 H new ATOM 632 N VAL A 44 -19.618 -2.727 2.308 1.00 0.00 N ATOM 633 CA VAL A 44 -20.681 -3.197 3.162 1.00 0.00 C ATOM 634 C VAL A 44 -21.767 -2.132 3.336 1.00 0.00 C ATOM 635 O VAL A 44 -21.526 -0.945 3.135 1.00 0.00 O ATOM 636 CB VAL A 44 -20.155 -3.619 4.533 1.00 0.00 C ATOM 637 CG1 VAL A 44 -19.675 -5.063 4.501 1.00 0.00 C ATOM 638 CG2 VAL A 44 -19.045 -2.696 5.018 1.00 0.00 C ATOM 0 H VAL A 44 -19.528 -1.712 2.260 1.00 0.00 H new ATOM 0 HA VAL A 44 -21.116 -4.068 2.672 1.00 0.00 H new ATOM 0 HB VAL A 44 -20.981 -3.541 5.240 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -19.304 -5.345 5.486 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.503 -5.716 4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -18.874 -5.164 3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -18.697 -3.028 5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -18.216 -2.720 4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -19.426 -1.678 5.095 1.00 0.00 H new ATOM 642 N PRO A 45 -22.987 -2.548 3.705 1.00 0.00 N ATOM 643 CA PRO A 45 -24.108 -1.622 3.894 1.00 0.00 C ATOM 644 C PRO A 45 -23.748 -0.430 4.776 1.00 0.00 C ATOM 645 O PRO A 45 -24.098 0.709 4.471 1.00 0.00 O ATOM 646 CB PRO A 45 -25.169 -2.489 4.574 1.00 0.00 C ATOM 647 CG PRO A 45 -24.870 -3.876 4.119 1.00 0.00 C ATOM 648 CD PRO A 45 -23.376 -3.948 3.960 1.00 0.00 C ATOM 0 HA PRO A 45 -24.432 -1.182 2.951 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -25.112 -2.407 5.659 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -26.175 -2.185 4.284 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -25.221 -4.609 4.846 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -25.373 -4.095 3.177 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -22.896 -4.341 4.856 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -23.092 -4.600 3.134 1.00 0.00 H new ATOM 656 N ASN A 46 -23.058 -0.706 5.876 1.00 0.00 N ATOM 657 CA ASN A 46 -22.659 0.339 6.815 1.00 0.00 C ATOM 658 C ASN A 46 -21.404 1.086 6.357 1.00 0.00 C ATOM 659 O ASN A 46 -20.882 1.926 7.091 1.00 0.00 O ATOM 660 CB ASN A 46 -22.422 -0.266 8.200 1.00 0.00 C ATOM 661 CG ASN A 46 -23.706 -0.732 8.854 1.00 0.00 C ATOM 662 OD1 ASN A 46 -24.163 -1.853 8.625 1.00 0.00 O ATOM 663 ND2 ASN A 46 -24.298 0.127 9.676 1.00 0.00 N ATOM 0 H ASN A 46 -22.762 -1.645 6.141 1.00 0.00 H new ATOM 0 HA ASN A 46 -23.473 1.062 6.858 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -21.735 -1.108 8.113 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -21.940 0.474 8.839 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -25.165 -0.132 10.146 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -23.885 1.046 9.837 1.00 0.00 H new ATOM 668 N GLY A 47 -20.912 0.784 5.157 1.00 0.00 N ATOM 669 CA GLY A 47 -19.723 1.447 4.667 1.00 0.00 C ATOM 670 C GLY A 47 -18.905 0.579 3.742 1.00 0.00 C ATOM 671 O GLY A 47 -19.432 -0.239 2.995 1.00 0.00 O ATOM 0 H GLY A 47 -21.315 0.096 4.522 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -20.011 2.358 4.142 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.106 1.749 5.514 1.00 0.00 H new ATOM 675 N PHE A 48 -17.610 0.775 3.798 1.00 0.00 N ATOM 676 CA PHE A 48 -16.680 0.029 2.980 1.00 0.00 C ATOM 677 C PHE A 48 -15.574 -0.566 3.833 1.00 0.00 C ATOM 678 O PHE A 48 -14.940 0.141 4.620 1.00 0.00 O ATOM 679 CB PHE A 48 -16.054 0.935 1.928 1.00 0.00 C ATOM 680 CG PHE A 48 -16.980 1.316 0.813 1.00 0.00 C ATOM 681 CD1 PHE A 48 -18.074 2.133 1.040 1.00 0.00 C ATOM 682 CD2 PHE A 48 -16.744 0.856 -0.464 1.00 0.00 C ATOM 683 CE1 PHE A 48 -18.917 2.479 0.002 1.00 0.00 C ATOM 684 CE2 PHE A 48 -17.579 1.195 -1.506 1.00 0.00 C ATOM 685 CZ PHE A 48 -18.668 2.007 -1.274 1.00 0.00 C ATOM 0 H PHE A 48 -17.168 1.458 4.413 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.234 -0.773 2.493 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.696 1.843 2.414 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.183 0.434 1.506 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -18.270 2.503 2.036 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.891 0.220 -0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -19.769 3.117 0.186 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -17.381 0.826 -2.501 1.00 0.00 H new ATOM 0 HZ PHE A 48 -19.326 2.274 -2.087 1.00 0.00 H new ATOM 695 N SER A 49 -15.321 -1.856 3.648 1.00 0.00 N ATOM 696 CA SER A 49 -14.258 -2.527 4.371 1.00 0.00 C ATOM 697 C SER A 49 -13.136 -2.831 3.410 1.00 0.00 C ATOM 698 O SER A 49 -13.322 -3.510 2.401 1.00 0.00 O ATOM 699 CB SER A 49 -14.734 -3.802 5.050 1.00 0.00 C ATOM 700 OG SER A 49 -16.073 -4.108 4.703 1.00 0.00 O ATOM 0 H SER A 49 -15.839 -2.454 3.004 1.00 0.00 H new ATOM 0 HA SER A 49 -13.911 -1.864 5.163 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.085 -4.630 4.766 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.654 -3.691 6.131 1.00 0.00 H new ATOM 0 HG SER A 49 -16.347 -4.933 5.154 1.00 0.00 H new ATOM 706 N VAL A 50 -11.984 -2.293 3.712 1.00 0.00 N ATOM 707 CA VAL A 50 -10.824 -2.460 2.857 1.00 0.00 C ATOM 708 C VAL A 50 -9.618 -2.966 3.643 1.00 0.00 C ATOM 709 O VAL A 50 -9.475 -2.667 4.827 1.00 0.00 O ATOM 710 CB VAL A 50 -10.481 -1.118 2.187 1.00 0.00 C ATOM 711 CG1 VAL A 50 -10.107 -0.085 3.237 1.00 0.00 C ATOM 712 CG2 VAL A 50 -9.375 -1.286 1.160 1.00 0.00 C ATOM 0 H VAL A 50 -11.817 -1.731 4.547 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.066 -3.204 2.098 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.365 -0.762 1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.867 0.859 2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.945 0.061 3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.240 -0.434 3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.154 -0.322 0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.480 -1.670 1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.697 -1.987 0.390 1.00 0.00 H new ATOM 716 N GLU A 51 -8.756 -3.732 2.979 1.00 0.00 N ATOM 717 CA GLU A 51 -7.563 -4.278 3.619 1.00 0.00 C ATOM 718 C GLU A 51 -6.446 -4.466 2.596 1.00 0.00 C ATOM 719 O GLU A 51 -6.674 -4.969 1.500 1.00 0.00 O ATOM 720 CB GLU A 51 -7.898 -5.607 4.307 1.00 0.00 C ATOM 721 CG GLU A 51 -6.686 -6.374 4.819 1.00 0.00 C ATOM 722 CD GLU A 51 -6.911 -7.874 4.835 1.00 0.00 C ATOM 723 OE1 GLU A 51 -7.839 -8.342 4.143 1.00 0.00 O ATOM 724 OE2 GLU A 51 -6.159 -8.579 5.540 1.00 0.00 O ATOM 0 H GLU A 51 -8.862 -3.989 1.997 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.215 -3.573 4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.568 -5.410 5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.442 -6.239 3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.824 -6.146 4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.445 -6.035 5.827 1.00 0.00 H new ATOM 731 N ALA A 52 -5.239 -4.054 2.966 1.00 0.00 N ATOM 732 CA ALA A 52 -4.084 -4.175 2.082 1.00 0.00 C ATOM 733 C ALA A 52 -3.013 -5.070 2.697 1.00 0.00 C ATOM 734 O ALA A 52 -3.001 -5.298 3.907 1.00 0.00 O ATOM 735 CB ALA A 52 -3.511 -2.801 1.773 1.00 0.00 C ATOM 0 H ALA A 52 -5.034 -3.633 3.872 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.416 -4.636 1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.650 -2.906 1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.271 -2.191 1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.201 -2.319 2.700 1.00 0.00 H new ATOM 741 N SER A 53 -2.116 -5.577 1.856 1.00 0.00 N ATOM 742 CA SER A 53 -1.044 -6.449 2.322 1.00 0.00 C ATOM 743 C SER A 53 0.169 -6.380 1.397 1.00 0.00 C ATOM 744 O SER A 53 0.096 -6.760 0.229 1.00 0.00 O ATOM 745 CB SER A 53 -1.542 -7.892 2.417 1.00 0.00 C ATOM 746 OG SER A 53 -1.784 -8.434 1.130 1.00 0.00 O ATOM 0 H SER A 53 -2.110 -5.399 0.852 1.00 0.00 H new ATOM 0 HA SER A 53 -0.739 -6.105 3.310 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.804 -8.501 2.939 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.458 -7.926 3.007 1.00 0.00 H new ATOM 0 HG SER A 53 -1.361 -7.867 0.452 1.00 0.00 H new ATOM 752 N ILE A 54 1.287 -5.903 1.936 1.00 0.00 N ATOM 753 CA ILE A 54 2.524 -5.795 1.172 1.00 0.00 C ATOM 754 C ILE A 54 3.704 -6.313 1.990 1.00 0.00 C ATOM 755 O ILE A 54 3.815 -6.026 3.180 1.00 0.00 O ATOM 756 CB ILE A 54 2.804 -4.338 0.746 1.00 0.00 C ATOM 757 CG1 ILE A 54 1.571 -3.738 0.060 1.00 0.00 C ATOM 758 CG2 ILE A 54 4.016 -4.283 -0.176 1.00 0.00 C ATOM 759 CD1 ILE A 54 1.823 -2.390 -0.589 1.00 0.00 C ATOM 0 H ILE A 54 1.361 -5.584 2.902 1.00 0.00 H new ATOM 0 HA ILE A 54 2.403 -6.402 0.275 1.00 0.00 H new ATOM 0 HB ILE A 54 3.022 -3.747 1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.215 -4.435 -0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.773 -3.633 0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.203 -3.250 -0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.888 -4.676 0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.824 -4.884 -1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.904 -2.032 -1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.149 -1.677 0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.597 -2.491 -1.349 1.00 0.00 H new ATOM 763 N GLY A 55 4.583 -7.075 1.348 1.00 0.00 N ATOM 764 CA GLY A 55 5.734 -7.611 2.035 1.00 0.00 C ATOM 765 C GLY A 55 6.939 -6.725 1.909 1.00 0.00 C ATOM 766 O GLY A 55 7.195 -6.145 0.857 1.00 0.00 O ATOM 0 H GLY A 55 4.515 -7.329 0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.494 -7.746 3.090 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.967 -8.597 1.633 1.00 0.00 H new ATOM 770 N THR A 56 7.678 -6.634 2.989 1.00 0.00 N ATOM 771 CA THR A 56 8.886 -5.821 3.027 1.00 0.00 C ATOM 772 C THR A 56 10.061 -6.613 3.589 1.00 0.00 C ATOM 773 O THR A 56 9.907 -7.349 4.564 1.00 0.00 O ATOM 774 CB THR A 56 8.696 -4.554 3.869 1.00 0.00 C ATOM 775 OG1 THR A 56 9.342 -4.684 5.133 1.00 0.00 O ATOM 776 CG2 THR A 56 7.245 -4.192 4.109 1.00 0.00 C ATOM 0 H THR A 56 7.467 -7.115 3.864 1.00 0.00 H new ATOM 0 HA THR A 56 9.097 -5.531 1.998 1.00 0.00 H new ATOM 0 HB THR A 56 9.146 -3.752 3.283 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.670 -4.840 5.829 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.191 -3.285 4.712 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.749 -4.022 3.153 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.749 -5.007 4.635 1.00 0.00 H new ATOM 781 N PRO A 57 11.267 -6.454 3.012 1.00 0.00 N ATOM 782 CA PRO A 57 12.454 -7.145 3.511 1.00 0.00 C ATOM 783 C PRO A 57 12.692 -6.832 4.984 1.00 0.00 C ATOM 784 O PRO A 57 13.432 -7.536 5.671 1.00 0.00 O ATOM 785 CB PRO A 57 13.601 -6.581 2.668 1.00 0.00 C ATOM 786 CG PRO A 57 12.960 -5.985 1.464 1.00 0.00 C ATOM 787 CD PRO A 57 11.569 -5.578 1.866 1.00 0.00 C ATOM 0 HA PRO A 57 12.358 -8.228 3.434 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.164 -5.831 3.224 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.305 -7.365 2.389 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.527 -5.124 1.111 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.931 -6.705 0.646 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.524 -4.525 2.144 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.858 -5.723 1.052 1.00 0.00 H new ATOM 795 N LEU A 58 12.058 -5.758 5.459 1.00 0.00 N ATOM 796 CA LEU A 58 12.198 -5.335 6.840 1.00 0.00 C ATOM 797 C LEU A 58 11.077 -5.921 7.699 1.00 0.00 C ATOM 798 O LEU A 58 11.181 -5.976 8.924 1.00 0.00 O ATOM 799 CB LEU A 58 12.202 -3.803 6.909 1.00 0.00 C ATOM 800 CG LEU A 58 13.305 -3.127 6.077 1.00 0.00 C ATOM 801 CD1 LEU A 58 12.713 -2.238 4.984 1.00 0.00 C ATOM 802 CD2 LEU A 58 14.231 -2.320 6.977 1.00 0.00 C ATOM 0 H LEU A 58 11.442 -5.168 4.899 1.00 0.00 H new ATOM 0 HA LEU A 58 13.144 -5.706 7.235 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.233 -3.435 6.571 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.313 -3.500 7.950 1.00 0.00 H new ATOM 0 HG LEU A 58 13.884 -3.912 5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 58 13.519 -1.775 4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.098 -2.842 4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.099 -1.461 5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 58 15.006 -1.848 6.373 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.657 -1.552 7.495 1.00 0.00 H new ATOM 0 HD23 LEU A 58 14.694 -2.982 7.709 1.00 0.00 H new ATOM 808 N GLY A 59 10.011 -6.369 7.040 1.00 0.00 N ATOM 809 CA GLY A 59 8.886 -6.960 7.739 1.00 0.00 C ATOM 810 C GLY A 59 7.590 -6.802 6.972 1.00 0.00 C ATOM 811 O GLY A 59 7.269 -5.710 6.506 1.00 0.00 O ATOM 0 H GLY A 59 9.908 -6.332 6.026 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.080 -8.019 7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.785 -6.495 8.720 1.00 0.00 H new ATOM 815 N ASN A 60 6.846 -7.897 6.836 1.00 0.00 N ATOM 816 CA ASN A 60 5.578 -7.883 6.115 1.00 0.00 C ATOM 817 C ASN A 60 4.730 -6.678 6.514 1.00 0.00 C ATOM 818 O ASN A 60 5.011 -6.015 7.513 1.00 0.00 O ATOM 819 CB ASN A 60 4.804 -9.172 6.384 1.00 0.00 C ATOM 820 CG ASN A 60 5.641 -10.413 6.140 1.00 0.00 C ATOM 821 OD1 ASN A 60 6.857 -10.333 5.966 1.00 0.00 O ATOM 822 ND2 ASN A 60 4.992 -11.573 6.125 1.00 0.00 N ATOM 0 H ASN A 60 7.102 -8.808 7.218 1.00 0.00 H new ATOM 0 HA ASN A 60 5.799 -7.810 5.050 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.452 -9.172 7.416 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.921 -9.202 5.746 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.503 -12.441 5.965 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.983 -11.595 6.274 1.00 0.00 H new ATOM 827 N LEU A 61 3.697 -6.397 5.728 1.00 0.00 N ATOM 828 CA LEU A 61 2.821 -5.268 6.006 1.00 0.00 C ATOM 829 C LEU A 61 1.377 -5.582 5.644 1.00 0.00 C ATOM 830 O LEU A 61 1.098 -6.193 4.613 1.00 0.00 O ATOM 831 CB LEU A 61 3.290 -4.032 5.243 1.00 0.00 C ATOM 832 CG LEU A 61 3.821 -2.896 6.115 1.00 0.00 C ATOM 833 CD1 LEU A 61 5.317 -3.052 6.345 1.00 0.00 C ATOM 834 CD2 LEU A 61 3.510 -1.553 5.472 1.00 0.00 C ATOM 0 H LEU A 61 3.447 -6.933 4.897 1.00 0.00 H new ATOM 0 HA LEU A 61 2.867 -5.070 7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.072 -4.330 4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.459 -3.654 4.648 1.00 0.00 H new ATOM 0 HG LEU A 61 3.325 -2.938 7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.677 -2.233 6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.511 -4.001 6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.836 -3.034 5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.893 -0.750 6.102 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.983 -1.501 4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.431 -1.444 5.361 1.00 0.00 H new ATOM 840 N LEU A 62 0.468 -5.137 6.500 1.00 0.00 N ATOM 841 CA LEU A 62 -0.957 -5.338 6.298 1.00 0.00 C ATOM 842 C LEU A 62 -1.727 -4.124 6.799 1.00 0.00 C ATOM 843 O LEU A 62 -1.257 -3.394 7.672 1.00 0.00 O ATOM 844 CB LEU A 62 -1.460 -6.585 7.041 1.00 0.00 C ATOM 845 CG LEU A 62 -0.643 -7.867 6.849 1.00 0.00 C ATOM 846 CD1 LEU A 62 -0.481 -8.190 5.370 1.00 0.00 C ATOM 847 CD2 LEU A 62 0.714 -7.754 7.534 1.00 0.00 C ATOM 0 H LEU A 62 0.699 -4.627 7.353 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.122 -5.477 5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.494 -6.358 8.106 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.484 -6.782 6.724 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.188 -8.688 7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.102 -9.104 5.259 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.463 -8.329 4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.034 -7.368 4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.275 -8.676 7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.268 -6.918 7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.570 -7.587 8.601 1.00 0.00 H new ATOM 853 N ALA A 63 -2.911 -3.925 6.252 1.00 0.00 N ATOM 854 CA ALA A 63 -3.762 -2.812 6.646 1.00 0.00 C ATOM 855 C ALA A 63 -5.224 -3.173 6.444 1.00 0.00 C ATOM 856 O ALA A 63 -5.548 -4.042 5.638 1.00 0.00 O ATOM 857 CB ALA A 63 -3.406 -1.559 5.861 1.00 0.00 C ATOM 0 H ALA A 63 -3.310 -4.523 5.528 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.597 -2.607 7.704 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.054 -0.739 6.171 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.367 -1.293 6.053 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.542 -1.746 4.796 1.00 0.00 H new ATOM 863 N SER A 64 -6.106 -2.509 7.179 1.00 0.00 N ATOM 864 CA SER A 64 -7.533 -2.778 7.068 1.00 0.00 C ATOM 865 C SER A 64 -8.350 -1.697 7.763 1.00 0.00 C ATOM 866 O SER A 64 -8.067 -1.328 8.903 1.00 0.00 O ATOM 867 CB SER A 64 -7.864 -4.147 7.663 1.00 0.00 C ATOM 868 OG SER A 64 -7.008 -4.454 8.750 1.00 0.00 O ATOM 0 H SER A 64 -5.861 -1.785 7.854 1.00 0.00 H new ATOM 0 HA SER A 64 -7.793 -2.777 6.010 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.901 -4.159 7.999 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.769 -4.913 6.894 1.00 0.00 H new ATOM 0 HG SER A 64 -7.243 -5.334 9.113 1.00 0.00 H new ATOM 874 N ALA A 65 -9.365 -1.193 7.071 1.00 0.00 N ATOM 875 CA ALA A 65 -10.219 -0.154 7.628 1.00 0.00 C ATOM 876 C ALA A 65 -11.643 -0.249 7.088 1.00 0.00 C ATOM 877 O ALA A 65 -11.866 -0.685 5.956 1.00 0.00 O ATOM 878 CB ALA A 65 -9.635 1.220 7.334 1.00 0.00 C ATOM 0 H ALA A 65 -9.615 -1.486 6.127 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.262 -0.301 8.707 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.283 1.989 7.756 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.643 1.297 7.780 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.560 1.360 6.256 1.00 0.00 H new ATOM 884 N THR A 66 -12.600 0.172 7.909 1.00 0.00 N ATOM 885 CA THR A 66 -14.008 0.155 7.532 1.00 0.00 C ATOM 886 C THR A 66 -14.618 1.538 7.731 1.00 0.00 C ATOM 887 O THR A 66 -14.529 2.107 8.819 1.00 0.00 O ATOM 888 CB THR A 66 -14.774 -0.875 8.366 1.00 0.00 C ATOM 889 OG1 THR A 66 -14.221 -2.167 8.202 1.00 0.00 O ATOM 890 CG2 THR A 66 -16.245 -0.954 8.017 1.00 0.00 C ATOM 0 H THR A 66 -12.423 0.532 8.847 1.00 0.00 H new ATOM 0 HA THR A 66 -14.082 -0.122 6.480 1.00 0.00 H new ATOM 0 HB THR A 66 -14.681 -0.536 9.398 1.00 0.00 H new ATOM 0 HG1 THR A 66 -14.724 -2.809 8.745 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.728 -1.703 8.645 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.712 0.017 8.185 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.356 -1.233 6.969 1.00 0.00 H new ATOM 895 N SER A 67 -15.230 2.084 6.684 1.00 0.00 N ATOM 896 CA SER A 67 -15.834 3.407 6.782 1.00 0.00 C ATOM 897 C SER A 67 -16.845 3.637 5.670 1.00 0.00 C ATOM 898 O SER A 67 -16.855 2.927 4.669 1.00 0.00 O ATOM 899 CB SER A 67 -14.750 4.483 6.722 1.00 0.00 C ATOM 900 OG SER A 67 -14.685 5.211 7.937 1.00 0.00 O ATOM 0 H SER A 67 -15.320 1.638 5.771 1.00 0.00 H new ATOM 0 HA SER A 67 -16.357 3.467 7.737 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.784 4.020 6.520 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.955 5.165 5.897 1.00 0.00 H new ATOM 0 HG SER A 67 -13.983 5.892 7.873 1.00 0.00 H new ATOM 906 N ASP A 68 -17.683 4.651 5.844 1.00 0.00 N ATOM 907 CA ASP A 68 -18.689 4.986 4.847 1.00 0.00 C ATOM 908 C ASP A 68 -18.082 5.799 3.704 1.00 0.00 C ATOM 909 O ASP A 68 -18.803 6.313 2.850 1.00 0.00 O ATOM 910 CB ASP A 68 -19.834 5.770 5.491 1.00 0.00 C ATOM 911 CG ASP A 68 -20.951 4.865 5.976 1.00 0.00 C ATOM 912 OD1 ASP A 68 -21.587 4.202 5.130 1.00 0.00 O ATOM 913 OD2 ASP A 68 -21.190 4.822 7.201 1.00 0.00 O ATOM 0 H ASP A 68 -17.685 5.255 6.666 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.078 4.054 4.437 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -19.448 6.349 6.330 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -20.234 6.483 4.770 1.00 0.00 H new ATOM 918 N ASP A 69 -16.753 5.916 3.691 1.00 0.00 N ATOM 919 CA ASP A 69 -16.071 6.671 2.650 1.00 0.00 C ATOM 920 C ASP A 69 -14.994 5.827 1.974 1.00 0.00 C ATOM 921 O ASP A 69 -13.882 5.689 2.479 1.00 0.00 O ATOM 922 CB ASP A 69 -15.456 7.940 3.237 1.00 0.00 C ATOM 923 CG ASP A 69 -16.467 9.060 3.379 1.00 0.00 C ATOM 924 OD1 ASP A 69 -16.982 9.531 2.343 1.00 0.00 O ATOM 925 OD2 ASP A 69 -16.746 9.466 4.526 1.00 0.00 O ATOM 0 H ASP A 69 -16.135 5.499 4.387 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.807 6.948 1.895 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.028 7.715 4.214 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.637 8.272 2.599 1.00 0.00 H new ATOM 930 N MET A 70 -15.350 5.262 0.827 1.00 0.00 N ATOM 931 CA MET A 70 -14.462 4.414 0.037 1.00 0.00 C ATOM 932 C MET A 70 -13.016 4.914 0.014 1.00 0.00 C ATOM 933 O MET A 70 -12.118 4.302 0.605 1.00 0.00 O ATOM 934 CB MET A 70 -15.017 4.353 -1.393 1.00 0.00 C ATOM 935 CG MET A 70 -13.994 4.025 -2.471 1.00 0.00 C ATOM 936 SD MET A 70 -14.480 2.618 -3.479 1.00 0.00 S ATOM 937 CE MET A 70 -13.515 1.338 -2.691 1.00 0.00 C ATOM 0 H MET A 70 -16.275 5.380 0.413 1.00 0.00 H new ATOM 0 HA MET A 70 -14.434 3.427 0.498 1.00 0.00 H new ATOM 0 HB2 MET A 70 -15.809 3.605 -1.427 1.00 0.00 H new ATOM 0 HB3 MET A 70 -15.475 5.313 -1.629 1.00 0.00 H new ATOM 0 HG2 MET A 70 -13.855 4.896 -3.112 1.00 0.00 H new ATOM 0 HG3 MET A 70 -13.032 3.817 -2.003 1.00 0.00 H new ATOM 0 HE1 MET A 70 -14.066 0.398 -2.719 1.00 0.00 H new ATOM 0 HE2 MET A 70 -12.568 1.220 -3.218 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.322 1.614 -1.654 1.00 0.00 H new ATOM 947 N TYR A 71 -12.792 6.005 -0.702 1.00 0.00 N ATOM 948 CA TYR A 71 -11.451 6.554 -0.840 1.00 0.00 C ATOM 949 C TYR A 71 -10.893 7.039 0.482 1.00 0.00 C ATOM 950 O TYR A 71 -9.679 7.151 0.630 1.00 0.00 O ATOM 951 CB TYR A 71 -11.417 7.632 -1.920 1.00 0.00 C ATOM 952 CG TYR A 71 -11.161 7.039 -3.292 1.00 0.00 C ATOM 953 CD1 TYR A 71 -11.392 5.686 -3.527 1.00 0.00 C ATOM 954 CD2 TYR A 71 -10.679 7.810 -4.341 1.00 0.00 C ATOM 955 CE1 TYR A 71 -11.158 5.118 -4.757 1.00 0.00 C ATOM 956 CE2 TYR A 71 -10.442 7.248 -5.584 1.00 0.00 C ATOM 957 CZ TYR A 71 -10.683 5.903 -5.786 1.00 0.00 C ATOM 958 OH TYR A 71 -10.449 5.345 -7.022 1.00 0.00 O ATOM 0 H TYR A 71 -13.517 6.526 -1.195 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.792 5.748 -1.163 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -12.364 8.171 -1.927 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.639 8.358 -1.686 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.764 5.068 -2.723 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.486 8.861 -4.186 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.345 4.066 -4.916 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.070 7.859 -6.393 1.00 0.00 H new ATOM 0 HH TYR A 71 -10.117 6.034 -7.635 1.00 0.00 H new ATOM 968 N LYS A 72 -11.763 7.261 1.460 1.00 0.00 N ATOM 969 CA LYS A 72 -11.306 7.659 2.781 1.00 0.00 C ATOM 970 C LYS A 72 -10.808 6.415 3.502 1.00 0.00 C ATOM 971 O LYS A 72 -9.795 6.442 4.195 1.00 0.00 O ATOM 972 CB LYS A 72 -12.411 8.301 3.578 1.00 0.00 C ATOM 973 CG LYS A 72 -11.946 8.924 4.885 1.00 0.00 C ATOM 974 CD LYS A 72 -12.219 10.419 4.923 1.00 0.00 C ATOM 975 CE LYS A 72 -12.699 10.867 6.295 1.00 0.00 C ATOM 976 NZ LYS A 72 -11.848 11.954 6.853 1.00 0.00 N ATOM 0 H LYS A 72 -12.775 7.173 1.364 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.509 8.395 2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.885 9.070 2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.172 7.551 3.795 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.453 8.440 5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.878 8.745 5.014 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.311 10.962 4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.970 10.671 4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.730 11.213 6.224 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.695 10.016 6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.208 12.231 7.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.869 11.616 6.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.872 12.775 6.216 1.00 0.00 H new ATOM 990 N ALA A 73 -11.515 5.300 3.285 1.00 0.00 N ATOM 991 CA ALA A 73 -11.122 4.025 3.860 1.00 0.00 C ATOM 992 C ALA A 73 -9.757 3.687 3.299 1.00 0.00 C ATOM 993 O ALA A 73 -8.827 3.340 4.029 1.00 0.00 O ATOM 994 CB ALA A 73 -12.137 2.940 3.526 1.00 0.00 C ATOM 0 H ALA A 73 -12.360 5.263 2.715 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.083 4.089 4.947 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.819 1.996 3.968 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.112 3.218 3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.208 2.828 2.444 1.00 0.00 H new ATOM 1000 N ILE A 74 -9.638 3.881 1.987 1.00 0.00 N ATOM 1001 CA ILE A 74 -8.375 3.694 1.296 1.00 0.00 C ATOM 1002 C ILE A 74 -7.411 4.740 1.833 1.00 0.00 C ATOM 1003 O ILE A 74 -6.232 4.472 2.088 1.00 0.00 O ATOM 1004 CB ILE A 74 -8.574 3.836 -0.231 1.00 0.00 C ATOM 1005 CG1 ILE A 74 -9.059 2.509 -0.805 1.00 0.00 C ATOM 1006 CG2 ILE A 74 -7.304 4.288 -0.939 1.00 0.00 C ATOM 1007 CD1 ILE A 74 -10.434 2.578 -1.423 1.00 0.00 C ATOM 0 H ILE A 74 -10.408 4.169 1.383 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.974 2.695 1.470 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.323 4.609 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.349 2.169 -1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.065 1.761 -0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.494 4.373 -2.009 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.994 5.257 -0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.513 3.558 -0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.709 1.596 -1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -11.157 2.887 -0.668 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -10.430 3.301 -2.239 1.00 0.00 H new ATOM 1011 N ASN A 75 -7.971 5.926 2.059 1.00 0.00 N ATOM 1012 CA ASN A 75 -7.253 7.042 2.630 1.00 0.00 C ATOM 1013 C ASN A 75 -6.658 6.618 3.967 1.00 0.00 C ATOM 1014 O ASN A 75 -5.536 6.988 4.317 1.00 0.00 O ATOM 1015 CB ASN A 75 -8.241 8.196 2.800 1.00 0.00 C ATOM 1016 CG ASN A 75 -7.606 9.543 2.596 1.00 0.00 C ATOM 1017 OD1 ASN A 75 -6.889 10.052 3.457 1.00 0.00 O ATOM 1018 ND2 ASN A 75 -7.874 10.127 1.440 1.00 0.00 N ATOM 0 H ASN A 75 -8.947 6.132 1.845 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.435 7.363 1.985 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.060 8.074 2.091 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.675 8.152 3.799 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.480 11.043 1.228 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.475 9.661 0.760 1.00 0.00 H new ATOM 1023 N GLU A 76 -7.425 5.810 4.692 1.00 0.00 N ATOM 1024 CA GLU A 76 -7.003 5.283 5.982 1.00 0.00 C ATOM 1025 C GLU A 76 -5.952 4.187 5.790 1.00 0.00 C ATOM 1026 O GLU A 76 -4.848 4.270 6.335 1.00 0.00 O ATOM 1027 CB GLU A 76 -8.213 4.729 6.742 1.00 0.00 C ATOM 1028 CG GLU A 76 -8.357 5.290 8.147 1.00 0.00 C ATOM 1029 CD GLU A 76 -9.744 5.076 8.720 1.00 0.00 C ATOM 1030 OE1 GLU A 76 -10.677 5.791 8.299 1.00 0.00 O ATOM 1031 OE2 GLU A 76 -9.897 4.191 9.589 1.00 0.00 O ATOM 0 H GLU A 76 -8.354 5.504 4.402 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.560 6.091 6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.119 4.950 6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.130 3.644 6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.622 4.819 8.799 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.134 6.357 8.133 1.00 0.00 H new ATOM 1038 N VAL A 77 -6.297 3.163 5.000 1.00 0.00 N ATOM 1039 CA VAL A 77 -5.380 2.059 4.723 1.00 0.00 C ATOM 1040 C VAL A 77 -3.998 2.582 4.391 1.00 0.00 C ATOM 1041 O VAL A 77 -3.008 2.198 5.015 1.00 0.00 O ATOM 1042 CB VAL A 77 -5.857 1.201 3.541 1.00 0.00 C ATOM 1043 CG1 VAL A 77 -5.016 -0.062 3.421 1.00 0.00 C ATOM 1044 CG2 VAL A 77 -7.322 0.860 3.694 1.00 0.00 C ATOM 0 H VAL A 77 -7.205 3.079 4.543 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.351 1.447 5.625 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.734 1.777 2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.370 -0.656 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.973 0.210 3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.103 -0.645 4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.644 0.252 2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.471 0.303 4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.908 1.779 3.725 1.00 0.00 H new ATOM 1048 N GLU A 78 -3.937 3.464 3.400 1.00 0.00 N ATOM 1049 CA GLU A 78 -2.669 4.038 2.990 1.00 0.00 C ATOM 1050 C GLU A 78 -1.958 4.649 4.189 1.00 0.00 C ATOM 1051 O GLU A 78 -0.733 4.602 4.290 1.00 0.00 O ATOM 1052 CB GLU A 78 -2.878 5.093 1.902 1.00 0.00 C ATOM 1053 CG GLU A 78 -1.789 5.098 0.843 1.00 0.00 C ATOM 1054 CD GLU A 78 -0.682 6.089 1.150 1.00 0.00 C ATOM 1055 OE1 GLU A 78 -0.513 6.440 2.336 1.00 0.00 O ATOM 1056 OE2 GLU A 78 0.014 6.512 0.204 1.00 0.00 O ATOM 0 H GLU A 78 -4.745 3.793 2.872 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.047 3.242 2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.841 4.921 1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.926 6.078 2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.364 4.098 0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.229 5.339 -0.125 1.00 0.00 H new ATOM 1063 N GLU A 79 -2.742 5.205 5.106 1.00 0.00 N ATOM 1064 CA GLU A 79 -2.192 5.807 6.310 1.00 0.00 C ATOM 1065 C GLU A 79 -1.616 4.727 7.215 1.00 0.00 C ATOM 1066 O GLU A 79 -0.526 4.882 7.765 1.00 0.00 O ATOM 1067 CB GLU A 79 -3.267 6.605 7.050 1.00 0.00 C ATOM 1068 CG GLU A 79 -2.801 7.982 7.499 1.00 0.00 C ATOM 1069 CD GLU A 79 -2.776 8.127 9.008 1.00 0.00 C ATOM 1070 OE1 GLU A 79 -3.626 7.505 9.679 1.00 0.00 O ATOM 1071 OE2 GLU A 79 -1.906 8.863 9.519 1.00 0.00 O ATOM 0 H GLU A 79 -3.759 5.250 5.037 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.393 6.491 6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.135 6.718 6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.593 6.038 7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.803 8.170 7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.460 8.740 7.076 1.00 0.00 H new ATOM 1078 N LYS A 80 -2.348 3.623 7.354 1.00 0.00 N ATOM 1079 CA LYS A 80 -1.889 2.513 8.180 1.00 0.00 C ATOM 1080 C LYS A 80 -0.653 1.877 7.556 1.00 0.00 C ATOM 1081 O LYS A 80 0.351 1.648 8.232 1.00 0.00 O ATOM 1082 CB LYS A 80 -2.997 1.469 8.343 1.00 0.00 C ATOM 1083 CG LYS A 80 -3.297 1.120 9.791 1.00 0.00 C ATOM 1084 CD LYS A 80 -4.363 0.042 9.896 1.00 0.00 C ATOM 1085 CE LYS A 80 -5.229 0.232 11.131 1.00 0.00 C ATOM 1086 NZ LYS A 80 -5.958 -1.014 11.494 1.00 0.00 N ATOM 0 H LYS A 80 -3.254 3.476 6.909 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.631 2.896 9.167 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.907 1.841 7.872 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.711 0.562 7.811 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.385 0.779 10.281 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.628 2.013 10.320 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.990 0.061 9.005 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.888 -0.938 9.931 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.604 0.544 11.968 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.946 1.033 10.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.443 -0.880 12.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.659 -1.233 10.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.282 -1.801 11.574 1.00 0.00 H new ATOM 1100 N LEU A 81 -0.733 1.606 6.257 1.00 0.00 N ATOM 1101 CA LEU A 81 0.383 1.009 5.534 1.00 0.00 C ATOM 1102 C LEU A 81 1.594 1.939 5.564 1.00 0.00 C ATOM 1103 O LEU A 81 2.718 1.498 5.813 1.00 0.00 O ATOM 1104 CB LEU A 81 -0.027 0.685 4.087 1.00 0.00 C ATOM 1105 CG LEU A 81 0.060 -0.795 3.684 1.00 0.00 C ATOM 1106 CD1 LEU A 81 1.458 -1.130 3.191 1.00 0.00 C ATOM 1107 CD2 LEU A 81 -0.332 -1.708 4.840 1.00 0.00 C ATOM 0 H LEU A 81 -1.557 1.790 5.685 1.00 0.00 H new ATOM 0 HA LEU A 81 0.659 0.076 6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.052 1.024 3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.604 1.264 3.412 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.647 -0.963 2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.502 -2.182 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.696 -0.512 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.180 -0.936 3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.260 -2.748 4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.339 -1.538 5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.356 -1.491 5.144 1.00 0.00 H new ATOM 1113 N GLU A 82 1.364 3.234 5.337 1.00 0.00 N ATOM 1114 CA GLU A 82 2.452 4.206 5.372 1.00 0.00 C ATOM 1115 C GLU A 82 2.981 4.335 6.793 1.00 0.00 C ATOM 1116 O GLU A 82 4.190 4.287 7.030 1.00 0.00 O ATOM 1117 CB GLU A 82 1.980 5.564 4.858 1.00 0.00 C ATOM 1118 CG GLU A 82 3.103 6.437 4.324 1.00 0.00 C ATOM 1119 CD GLU A 82 2.797 7.010 2.954 1.00 0.00 C ATOM 1120 OE1 GLU A 82 2.235 6.275 2.115 1.00 0.00 O ATOM 1121 OE2 GLU A 82 3.122 8.193 2.720 1.00 0.00 O ATOM 0 H GLU A 82 0.446 3.628 5.130 1.00 0.00 H new ATOM 0 HA GLU A 82 3.254 3.856 4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.245 5.409 4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.473 6.092 5.665 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.286 7.254 5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.020 5.850 4.272 1.00 0.00 H new ATOM 1128 N ARG A 83 2.059 4.477 7.744 1.00 0.00 N ATOM 1129 CA ARG A 83 2.431 4.583 9.150 1.00 0.00 C ATOM 1130 C ARG A 83 3.287 3.387 9.540 1.00 0.00 C ATOM 1131 O ARG A 83 4.315 3.531 10.204 1.00 0.00 O ATOM 1132 CB ARG A 83 1.184 4.647 10.035 1.00 0.00 C ATOM 1133 CG ARG A 83 0.655 6.058 10.243 1.00 0.00 C ATOM 1134 CD ARG A 83 0.719 6.470 11.705 1.00 0.00 C ATOM 1135 NE ARG A 83 0.431 7.890 11.888 1.00 0.00 N ATOM 1136 CZ ARG A 83 0.164 8.446 13.068 1.00 0.00 C ATOM 1137 NH1 ARG A 83 0.147 7.705 14.170 1.00 0.00 N ATOM 1138 NH2 ARG A 83 -0.088 9.745 13.147 1.00 0.00 N ATOM 0 H ARG A 83 1.056 4.521 7.566 1.00 0.00 H new ATOM 0 HA ARG A 83 3.001 5.501 9.296 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.400 4.036 9.588 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.415 4.208 11.006 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.236 6.757 9.642 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.376 6.116 9.893 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.006 5.879 12.279 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.710 6.247 12.101 1.00 0.00 H new ATOM 0 HE ARG A 83 0.435 8.491 11.064 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.339 6.705 14.115 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.058 8.136 15.071 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.077 10.319 12.304 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.293 10.171 14.051 1.00 0.00 H new ATOM 1152 N GLN A 84 2.865 2.208 9.094 1.00 0.00 N ATOM 1153 CA GLN A 84 3.602 0.986 9.366 1.00 0.00 C ATOM 1154 C GLN A 84 4.945 1.036 8.652 1.00 0.00 C ATOM 1155 O GLN A 84 5.961 0.587 9.184 1.00 0.00 O ATOM 1156 CB GLN A 84 2.804 -0.237 8.914 1.00 0.00 C ATOM 1157 CG GLN A 84 1.649 -0.584 9.839 1.00 0.00 C ATOM 1158 CD GLN A 84 0.760 -1.676 9.279 1.00 0.00 C ATOM 1159 OE1 GLN A 84 1.193 -2.815 9.101 1.00 0.00 O ATOM 1160 NE2 GLN A 84 -0.491 -1.333 8.997 1.00 0.00 N ATOM 0 H GLN A 84 2.017 2.076 8.543 1.00 0.00 H new ATOM 0 HA GLN A 84 3.768 0.903 10.440 1.00 0.00 H new ATOM 0 HB2 GLN A 84 2.415 -0.057 7.912 1.00 0.00 H new ATOM 0 HB3 GLN A 84 3.475 -1.094 8.846 1.00 0.00 H new ATOM 0 HG2 GLN A 84 2.044 -0.902 10.804 1.00 0.00 H new ATOM 0 HG3 GLN A 84 1.051 0.310 10.018 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.807 -0.377 9.161 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.136 -2.025 8.617 1.00 0.00 H new ATOM 1167 N LEU A 85 4.949 1.618 7.452 1.00 0.00 N ATOM 1168 CA LEU A 85 6.178 1.762 6.681 1.00 0.00 C ATOM 1169 C LEU A 85 7.189 2.561 7.497 1.00 0.00 C ATOM 1170 O LEU A 85 8.317 2.112 7.746 1.00 0.00 O ATOM 1171 CB LEU A 85 5.897 2.465 5.348 1.00 0.00 C ATOM 1172 CG LEU A 85 5.801 1.541 4.129 1.00 0.00 C ATOM 1173 CD1 LEU A 85 4.807 2.095 3.119 1.00 0.00 C ATOM 1174 CD2 LEU A 85 7.171 1.353 3.488 1.00 0.00 C ATOM 0 H LEU A 85 4.117 1.995 6.997 1.00 0.00 H new ATOM 0 HA LEU A 85 6.584 0.774 6.464 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.963 3.019 5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.685 3.196 5.168 1.00 0.00 H new ATOM 0 HG LEU A 85 5.445 0.566 4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.751 1.427 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.823 2.174 3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.134 3.082 2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.081 0.694 2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.559 2.320 3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.854 0.910 4.213 1.00 0.00 H new ATOM 1180 N ASN A 86 6.757 3.742 7.941 1.00 0.00 N ATOM 1181 CA ASN A 86 7.595 4.605 8.760 1.00 0.00 C ATOM 1182 C ASN A 86 7.956 3.894 10.055 1.00 0.00 C ATOM 1183 O ASN A 86 9.095 3.962 10.518 1.00 0.00 O ATOM 1184 CB ASN A 86 6.875 5.922 9.062 1.00 0.00 C ATOM 1185 CG ASN A 86 7.815 7.111 9.050 1.00 0.00 C ATOM 1186 OD1 ASN A 86 8.889 7.062 8.450 1.00 0.00 O ATOM 1187 ND2 ASN A 86 7.415 8.188 9.716 1.00 0.00 N ATOM 0 H ASN A 86 5.830 4.119 7.744 1.00 0.00 H new ATOM 0 HA ASN A 86 8.509 4.831 8.211 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.086 6.079 8.326 1.00 0.00 H new ATOM 0 HB3 ASN A 86 6.392 5.854 10.037 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.006 9.019 9.744 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.517 8.184 10.199 1.00 0.00 H new ATOM 1192 N LYS A 87 6.982 3.187 10.624 1.00 0.00 N ATOM 1193 CA LYS A 87 7.204 2.437 11.853 1.00 0.00 C ATOM 1194 C LYS A 87 8.299 1.410 11.631 1.00 0.00 C ATOM 1195 O LYS A 87 9.218 1.276 12.438 1.00 0.00 O ATOM 1196 CB LYS A 87 5.924 1.725 12.288 1.00 0.00 C ATOM 1197 CG LYS A 87 5.471 2.088 13.694 1.00 0.00 C ATOM 1198 CD LYS A 87 4.579 1.010 14.287 1.00 0.00 C ATOM 1199 CE LYS A 87 3.395 1.612 15.028 1.00 0.00 C ATOM 1200 NZ LYS A 87 3.044 0.829 16.245 1.00 0.00 N ATOM 0 H LYS A 87 6.034 3.119 10.253 1.00 0.00 H new ATOM 0 HA LYS A 87 7.502 3.134 12.636 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.127 1.967 11.585 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.081 0.648 12.233 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.343 2.232 14.332 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.932 3.035 13.671 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.218 0.357 13.492 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.160 0.390 14.970 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.628 2.638 15.312 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.533 1.653 14.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.233 1.272 16.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.797 -0.144 15.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.858 0.811 16.893 1.00 0.00 H new ATOM 1214 N LEU A 88 8.193 0.692 10.518 1.00 0.00 N ATOM 1215 CA LEU A 88 9.182 -0.320 10.177 1.00 0.00 C ATOM 1216 C LEU A 88 10.553 0.323 10.095 1.00 0.00 C ATOM 1217 O LEU A 88 11.437 0.049 10.906 1.00 0.00 O ATOM 1218 CB LEU A 88 8.862 -0.997 8.832 1.00 0.00 C ATOM 1219 CG LEU A 88 8.954 -2.522 8.812 1.00 0.00 C ATOM 1220 CD1 LEU A 88 10.233 -3.011 9.480 1.00 0.00 C ATOM 1221 CD2 LEU A 88 7.727 -3.120 9.476 1.00 0.00 C ATOM 0 H LEU A 88 7.436 0.792 9.841 1.00 0.00 H new ATOM 0 HA LEU A 88 9.163 -1.083 10.955 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.854 -0.710 8.534 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.542 -0.602 8.078 1.00 0.00 H new ATOM 0 HG LEU A 88 8.988 -2.853 7.774 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.267 -4.100 9.448 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.097 -2.606 8.953 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.252 -2.677 10.518 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.798 -4.208 9.459 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.668 -2.776 10.509 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.833 -2.806 8.938 1.00 0.00 H new ATOM 1227 N GLN A 89 10.709 1.196 9.107 1.00 0.00 N ATOM 1228 CA GLN A 89 11.970 1.906 8.909 1.00 0.00 C ATOM 1229 C GLN A 89 12.435 2.542 10.217 1.00 0.00 C ATOM 1230 O GLN A 89 13.633 2.682 10.463 1.00 0.00 O ATOM 1231 CB GLN A 89 11.818 2.983 7.834 1.00 0.00 C ATOM 1232 CG GLN A 89 11.538 2.424 6.451 1.00 0.00 C ATOM 1233 CD GLN A 89 10.530 3.246 5.687 1.00 0.00 C ATOM 1234 OE1 GLN A 89 10.008 4.241 6.189 1.00 0.00 O ATOM 1235 NE2 GLN A 89 10.251 2.829 4.465 1.00 0.00 N ATOM 0 H GLN A 89 9.981 1.430 8.432 1.00 0.00 H new ATOM 0 HA GLN A 89 12.718 1.185 8.580 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.007 3.655 8.116 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.729 3.580 7.798 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.469 2.380 5.886 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.172 1.401 6.544 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.710 1.998 4.093 1.00 0.00 H new ATOM 0 HE22 GLN A 89 9.576 3.338 3.894 1.00 0.00 H new ATOM 1242 N HIS A 90 11.472 2.914 11.056 1.00 0.00 N ATOM 1243 CA HIS A 90 11.767 3.523 12.346 1.00 0.00 C ATOM 1244 C HIS A 90 12.345 2.492 13.302 1.00 0.00 C ATOM 1245 O HIS A 90 13.524 2.537 13.653 1.00 0.00 O ATOM 1246 CB HIS A 90 10.495 4.116 12.954 1.00 0.00 C ATOM 1247 CG HIS A 90 10.196 5.507 12.488 1.00 0.00 C ATOM 1248 ND1 HIS A 90 10.949 6.161 11.534 1.00 0.00 N ATOM 1249 CD2 HIS A 90 9.218 6.371 12.849 1.00 0.00 C ATOM 1250 CE1 HIS A 90 10.448 7.365 11.330 1.00 0.00 C ATOM 1251 NE2 HIS A 90 9.398 7.517 12.114 1.00 0.00 N ATOM 0 H HIS A 90 10.477 2.803 10.863 1.00 0.00 H new ATOM 0 HA HIS A 90 12.499 4.316 12.188 1.00 0.00 H new ATOM 0 HB2 HIS A 90 9.651 3.471 12.709 1.00 0.00 H new ATOM 0 HB3 HIS A 90 10.589 4.119 14.040 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.442 6.192 13.578 1.00 0.00 H new ATOM 0 HE1 HIS A 90 10.832 8.101 10.639 1.00 0.00 H new ATOM 0 HE2 HIS A 90 8.814 8.352 12.166 1.00 0.00 H new