USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 766 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 32 SER OG : rot 81:sc= 0.819 USER MOD Set 1.2: A 34 GLN : amide:sc= 0.568 X(o=2.6,f=2.4) USER MOD Set 1.3: A 65 TYR OH : rot -15:sc= 1.25 USER MOD Set 2.1: A 43 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 44 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.18) USER MOD Set 3.1: A 8 HIS : no HE2:sc= 0.331 K(o=-0.39,f=-9.1!) USER MOD Set 3.2: A 92 GLN : amide:sc= -0.723 K(o=-0.39,f=2.7) USER MOD Set 4.1: A 4 THR OG1 : rot -57:sc= 1.59 USER MOD Set 4.2: A 6 SER OG : rot -45:sc= 0.773 USER MOD Single : A 11 SER OG : rot 103:sc= 0.131 USER MOD Single : A 12 THR OG1 : rot 94:sc= 1.13 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0.9 (180deg=0.9) USER MOD Single : A 25 LYS NZ :NH3+ 175:sc= 2.47 (180deg=2.39) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 30 ASN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 31 THR OG1 : rot -89:sc= 1.2 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HE2:sc= 0.0799 K(o=0.08,f=-0.99) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0621 X(o=-0.062,f=-0.19) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 81:sc= 0.637 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -130:sc= 0.291 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 70 THR OG1 : rot 57:sc= 1.2 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 78 ASN : amide:sc= -0.0388 K(o=-0.039,f=-0.97) USER MOD Single : A 79 GLN : amide:sc= 0.619 K(o=0.62,f=-2.1!) USER MOD Single : A 87 HIS : no HD1:sc= -0.0462 X(o=-0.046,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 4 0.484 2.161 2.139 1.00 0.00 N ATOM 2 CA THR A 4 1.913 2.217 1.853 1.00 0.00 C ATOM 3 C THR A 4 2.294 3.543 1.208 1.00 0.00 C ATOM 4 O THR A 4 1.434 4.278 0.721 1.00 0.00 O ATOM 5 CB THR A 4 2.349 1.065 0.929 1.00 0.00 C ATOM 6 OG1 THR A 4 1.795 1.261 -0.378 1.00 0.00 O ATOM 7 CG2 THR A 4 1.876 -0.270 1.482 1.00 0.00 C ATOM 0 HA THR A 4 2.429 2.120 2.808 1.00 0.00 H new ATOM 0 HB THR A 4 3.437 1.057 0.872 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.820 1.330 -0.313 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.193 -1.073 0.816 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.307 -0.427 2.471 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.789 -0.268 1.556 1.00 0.00 H new ATOM 15 N PRO A 5 3.588 3.845 1.208 1.00 0.00 N ATOM 16 CA PRO A 5 4.087 5.080 0.614 1.00 0.00 C ATOM 17 C PRO A 5 3.633 5.219 -0.832 1.00 0.00 C ATOM 18 O PRO A 5 3.434 6.329 -1.327 1.00 0.00 O ATOM 19 CB PRO A 5 5.610 4.963 0.732 1.00 0.00 C ATOM 20 CG PRO A 5 5.824 4.070 1.906 1.00 0.00 C ATOM 21 CD PRO A 5 4.705 3.065 1.852 1.00 0.00 C ATOM 0 HA PRO A 5 3.708 5.972 1.113 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.047 4.541 -0.173 1.00 0.00 H new ATOM 0 HB3 PRO A 5 6.073 5.938 0.885 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.796 3.579 1.854 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.801 4.634 2.838 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.977 2.188 1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.431 2.711 2.846 1.00 0.00 H new ATOM 29 N SER A 6 3.470 4.086 -1.507 1.00 0.00 N ATOM 30 CA SER A 6 3.106 4.081 -2.920 1.00 0.00 C ATOM 31 C SER A 6 1.634 4.423 -3.110 1.00 0.00 C ATOM 32 O SER A 6 1.198 4.738 -4.217 1.00 0.00 O ATOM 33 CB SER A 6 3.417 2.731 -3.534 1.00 0.00 C ATOM 34 OG SER A 6 2.567 1.725 -3.056 1.00 0.00 O ATOM 0 H SER A 6 3.584 3.158 -1.098 1.00 0.00 H new ATOM 0 HA SER A 6 3.696 4.845 -3.426 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.326 2.797 -4.618 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.451 2.464 -3.317 1.00 0.00 H new ATOM 0 HG SER A 6 2.480 1.805 -2.083 1.00 0.00 H new ATOM 40 N ASP A 7 0.872 4.361 -2.023 1.00 0.00 N ATOM 41 CA ASP A 7 -0.537 4.736 -2.052 1.00 0.00 C ATOM 42 C ASP A 7 -0.732 6.179 -1.608 1.00 0.00 C ATOM 43 O ASP A 7 -1.606 6.883 -2.115 1.00 0.00 O ATOM 44 CB ASP A 7 -1.360 3.797 -1.167 1.00 0.00 C ATOM 45 CG ASP A 7 -1.380 2.348 -1.634 1.00 0.00 C ATOM 46 OD1 ASP A 7 -1.670 2.119 -2.785 1.00 0.00 O ATOM 47 OD2 ASP A 7 -0.955 1.498 -0.889 1.00 0.00 O ATOM 0 H ASP A 7 1.207 4.054 -1.110 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.884 4.647 -3.081 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.963 3.833 -0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.385 4.166 -1.122 1.00 0.00 H new ATOM 52 N HIS A 8 0.087 6.616 -0.656 1.00 0.00 N ATOM 53 CA HIS A 8 -0.018 7.966 -0.116 1.00 0.00 C ATOM 54 C HIS A 8 0.632 8.984 -1.044 1.00 0.00 C ATOM 55 O HIS A 8 0.115 10.085 -1.233 1.00 0.00 O ATOM 56 CB HIS A 8 0.622 8.043 1.274 1.00 0.00 C ATOM 57 CG HIS A 8 -0.174 7.357 2.342 1.00 0.00 C ATOM 58 ND1 HIS A 8 -1.305 7.913 2.901 1.00 0.00 N ATOM 59 CD2 HIS A 8 -0.001 6.161 2.952 1.00 0.00 C ATOM 60 CE1 HIS A 8 -1.794 7.088 3.809 1.00 0.00 C ATOM 61 NE2 HIS A 8 -1.022 6.019 3.860 1.00 0.00 N ATOM 0 H HIS A 8 0.831 6.054 -0.243 1.00 0.00 H new ATOM 0 HA HIS A 8 -1.078 8.206 -0.032 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.616 7.598 1.232 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.753 9.090 1.547 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -1.702 8.819 2.652 1.00 0.00 H new ATOM 0 HD2 HIS A 8 0.791 5.452 2.761 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.676 7.259 4.408 1.00 0.00 H new ATOM 69 N LEU A 9 1.768 8.609 -1.622 1.00 0.00 N ATOM 70 CA LEU A 9 2.490 9.488 -2.534 1.00 0.00 C ATOM 71 C LEU A 9 1.802 9.562 -3.891 1.00 0.00 C ATOM 72 O LEU A 9 1.457 10.645 -4.364 1.00 0.00 O ATOM 73 CB LEU A 9 3.939 9.010 -2.695 1.00 0.00 C ATOM 74 CG LEU A 9 4.787 9.817 -3.687 1.00 0.00 C ATOM 75 CD1 LEU A 9 4.844 11.277 -3.257 1.00 0.00 C ATOM 76 CD2 LEU A 9 6.185 9.221 -3.763 1.00 0.00 C ATOM 0 H LEU A 9 2.209 7.701 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 9 2.493 10.490 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.425 9.038 -1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.928 7.968 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 9 4.333 9.771 -4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.448 11.842 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.835 11.688 -3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.290 11.347 -2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.787 9.794 -4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.649 9.255 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.121 8.186 -4.098 1.00 0.00 H new ATOM 88 N LEU A 10 1.605 8.404 -4.512 1.00 0.00 N ATOM 89 CA LEU A 10 1.057 8.343 -5.862 1.00 0.00 C ATOM 90 C LEU A 10 -0.244 9.127 -5.965 1.00 0.00 C ATOM 91 O LEU A 10 -0.380 10.015 -6.807 1.00 0.00 O ATOM 92 CB LEU A 10 0.835 6.883 -6.277 1.00 0.00 C ATOM 93 CG LEU A 10 0.712 6.646 -7.788 1.00 0.00 C ATOM 94 CD1 LEU A 10 0.792 5.156 -8.091 1.00 0.00 C ATOM 95 CD2 LEU A 10 -0.601 7.229 -8.289 1.00 0.00 C ATOM 0 H LEU A 10 1.817 7.495 -4.102 1.00 0.00 H new ATOM 0 HA LEU A 10 1.777 8.799 -6.541 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.663 6.284 -5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.071 6.518 -5.793 1.00 0.00 H new ATOM 0 HG LEU A 10 1.535 7.143 -8.302 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.704 4.998 -9.166 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.749 4.765 -7.744 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.019 4.637 -7.580 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.688 7.060 -9.362 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.433 6.745 -7.777 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.624 8.300 -8.087 1.00 0.00 H new ATOM 107 N SER A 11 -1.199 8.795 -5.103 1.00 0.00 N ATOM 108 CA SER A 11 -2.530 9.386 -5.169 1.00 0.00 C ATOM 109 C SER A 11 -2.469 10.901 -5.020 1.00 0.00 C ATOM 110 O SER A 11 -3.186 11.631 -5.703 1.00 0.00 O ATOM 111 CB SER A 11 -3.421 8.786 -4.099 1.00 0.00 C ATOM 112 OG SER A 11 -3.670 7.426 -4.322 1.00 0.00 O ATOM 0 H SER A 11 -1.076 8.119 -4.349 1.00 0.00 H new ATOM 0 HA SER A 11 -2.952 9.163 -6.149 1.00 0.00 H new ATOM 0 HB2 SER A 11 -2.951 8.913 -3.124 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.367 9.327 -4.070 1.00 0.00 H new ATOM 0 HG SER A 11 -3.115 6.889 -3.719 1.00 0.00 H new ATOM 118 N THR A 12 -1.606 11.367 -4.122 1.00 0.00 N ATOM 119 CA THR A 12 -1.489 12.793 -3.842 1.00 0.00 C ATOM 120 C THR A 12 -0.858 13.535 -5.014 1.00 0.00 C ATOM 121 O THR A 12 -1.279 14.639 -5.361 1.00 0.00 O ATOM 122 CB THR A 12 -0.652 13.053 -2.575 1.00 0.00 C ATOM 123 OG1 THR A 12 -1.291 12.444 -1.445 1.00 0.00 O ATOM 124 CG2 THR A 12 -0.509 14.546 -2.328 1.00 0.00 C ATOM 0 H THR A 12 -0.978 10.777 -3.576 1.00 0.00 H new ATOM 0 HA THR A 12 -2.501 13.165 -3.682 1.00 0.00 H new ATOM 0 HB THR A 12 0.339 12.622 -2.717 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.918 11.549 -1.301 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.085 14.711 -1.429 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.013 15.010 -3.181 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.496 14.989 -2.197 1.00 0.00 H new ATOM 132 N LEU A 13 0.151 12.922 -5.622 1.00 0.00 N ATOM 133 CA LEU A 13 0.846 13.526 -6.752 1.00 0.00 C ATOM 134 C LEU A 13 -0.121 13.856 -7.881 1.00 0.00 C ATOM 135 O LEU A 13 0.046 14.854 -8.583 1.00 0.00 O ATOM 136 CB LEU A 13 1.955 12.592 -7.255 1.00 0.00 C ATOM 137 CG LEU A 13 3.164 12.453 -6.322 1.00 0.00 C ATOM 138 CD1 LEU A 13 4.122 11.401 -6.863 1.00 0.00 C ATOM 139 CD2 LEU A 13 3.861 13.799 -6.189 1.00 0.00 C ATOM 0 H LEU A 13 0.506 12.005 -5.351 1.00 0.00 H new ATOM 0 HA LEU A 13 1.296 14.459 -6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.528 11.603 -7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.302 12.955 -8.222 1.00 0.00 H new ATOM 0 HG LEU A 13 2.828 12.133 -5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.977 11.309 -6.194 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.609 10.442 -6.930 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.467 11.698 -7.854 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.720 13.700 -5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.197 14.133 -7.171 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.166 14.529 -5.775 1.00 0.00 H new ATOM 151 N GLU A 14 -1.133 13.013 -8.052 1.00 0.00 N ATOM 152 CA GLU A 14 -2.167 13.250 -9.053 1.00 0.00 C ATOM 153 C GLU A 14 -3.031 14.448 -8.678 1.00 0.00 C ATOM 154 O GLU A 14 -3.547 15.149 -9.550 1.00 0.00 O ATOM 155 CB GLU A 14 -3.041 12.005 -9.224 1.00 0.00 C ATOM 156 CG GLU A 14 -2.336 10.830 -9.887 1.00 0.00 C ATOM 157 CD GLU A 14 -3.226 9.619 -9.940 1.00 0.00 C ATOM 158 OE1 GLU A 14 -4.308 9.677 -9.406 1.00 0.00 O ATOM 159 OE2 GLU A 14 -2.873 8.676 -10.608 1.00 0.00 O ATOM 0 H GLU A 14 -1.260 12.158 -7.510 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.672 13.469 -9.999 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.401 11.691 -8.244 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.917 12.269 -9.816 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.034 11.107 -10.897 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.426 10.591 -9.337 1.00 0.00 H new ATOM 166 N GLU A 15 -3.185 14.678 -7.380 1.00 0.00 N ATOM 167 CA GLU A 15 -4.032 15.758 -6.888 1.00 0.00 C ATOM 168 C GLU A 15 -3.270 17.076 -6.836 1.00 0.00 C ATOM 169 O GLU A 15 -3.869 18.151 -6.839 1.00 0.00 O ATOM 170 CB GLU A 15 -4.585 15.417 -5.502 1.00 0.00 C ATOM 171 CG GLU A 15 -5.553 14.242 -5.484 1.00 0.00 C ATOM 172 CD GLU A 15 -6.758 14.513 -6.341 1.00 0.00 C ATOM 173 OE1 GLU A 15 -7.413 15.502 -6.116 1.00 0.00 O ATOM 174 OE2 GLU A 15 -6.961 13.794 -7.291 1.00 0.00 O ATOM 0 H GLU A 15 -2.734 14.130 -6.648 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.864 15.872 -7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.751 15.196 -4.836 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.090 16.295 -5.100 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.046 13.345 -5.839 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.870 14.045 -4.460 1.00 0.00 H new ATOM 181 N LEU A 16 -1.944 16.986 -6.790 1.00 0.00 N ATOM 182 CA LEU A 16 -1.096 18.172 -6.772 1.00 0.00 C ATOM 183 C LEU A 16 -1.024 18.818 -8.150 1.00 0.00 C ATOM 184 O LEU A 16 -1.219 18.155 -9.169 1.00 0.00 O ATOM 185 CB LEU A 16 0.310 17.809 -6.280 1.00 0.00 C ATOM 186 CG LEU A 16 0.393 17.366 -4.813 1.00 0.00 C ATOM 187 CD1 LEU A 16 1.812 16.920 -4.483 1.00 0.00 C ATOM 188 CD2 LEU A 16 -0.035 18.513 -3.910 1.00 0.00 C ATOM 0 H LEU A 16 -1.434 16.103 -6.765 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.537 18.894 -6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.702 17.009 -6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.961 18.672 -6.420 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.277 16.522 -4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.862 16.607 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.090 16.085 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.501 17.748 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.024 18.198 -2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.624 19.366 -4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.061 18.798 -4.145 1.00 0.00 H new ATOM 200 N VAL A 17 -0.744 20.116 -8.175 1.00 0.00 N ATOM 201 CA VAL A 17 -0.719 20.871 -9.422 1.00 0.00 C ATOM 202 C VAL A 17 0.381 20.371 -10.347 1.00 0.00 C ATOM 203 O VAL A 17 1.549 20.307 -9.962 1.00 0.00 O ATOM 204 CB VAL A 17 -0.517 22.377 -9.166 1.00 0.00 C ATOM 205 CG1 VAL A 17 -0.407 23.130 -10.484 1.00 0.00 C ATOM 206 CG2 VAL A 17 -1.659 22.935 -8.330 1.00 0.00 C ATOM 0 H VAL A 17 -0.531 20.668 -7.344 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.687 20.720 -9.900 1.00 0.00 H new ATOM 0 HB VAL A 17 0.412 22.510 -8.612 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.265 24.192 -10.285 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.443 22.750 -11.050 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.321 22.988 -11.061 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.499 24.000 -8.160 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.601 22.790 -8.858 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.696 22.416 -7.372 1.00 0.00 H new ATOM 216 N PRO A 18 0.003 20.014 -11.570 1.00 0.00 N ATOM 217 CA PRO A 18 0.944 19.448 -12.529 1.00 0.00 C ATOM 218 C PRO A 18 2.150 20.360 -12.721 1.00 0.00 C ATOM 219 O PRO A 18 3.278 19.890 -12.868 1.00 0.00 O ATOM 220 CB PRO A 18 0.124 19.299 -13.815 1.00 0.00 C ATOM 221 CG PRO A 18 -1.278 19.111 -13.342 1.00 0.00 C ATOM 222 CD PRO A 18 -1.405 19.980 -12.119 1.00 0.00 C ATOM 0 HA PRO A 18 1.361 18.496 -12.200 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.215 20.181 -14.448 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.462 18.447 -14.405 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.995 19.405 -14.109 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.476 18.066 -13.104 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.763 20.978 -12.370 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.108 19.561 -11.399 1.00 0.00 H new ATOM 230 N TYR A 19 1.904 21.665 -12.719 1.00 0.00 N ATOM 231 CA TYR A 19 2.973 22.645 -12.869 1.00 0.00 C ATOM 232 C TYR A 19 3.927 22.607 -11.682 1.00 0.00 C ATOM 233 O TYR A 19 5.115 22.898 -11.819 1.00 0.00 O ATOM 234 CB TYR A 19 2.390 24.052 -13.029 1.00 0.00 C ATOM 235 CG TYR A 19 1.699 24.283 -14.354 1.00 0.00 C ATOM 236 CD1 TYR A 19 2.432 24.518 -15.507 1.00 0.00 C ATOM 237 CD2 TYR A 19 0.315 24.265 -14.449 1.00 0.00 C ATOM 238 CE1 TYR A 19 1.806 24.729 -16.720 1.00 0.00 C ATOM 239 CE2 TYR A 19 -0.322 24.474 -15.657 1.00 0.00 C ATOM 240 CZ TYR A 19 0.429 24.706 -16.791 1.00 0.00 C ATOM 241 OH TYR A 19 -0.200 24.918 -17.997 1.00 0.00 O ATOM 0 H TYR A 19 0.973 22.069 -12.615 1.00 0.00 H new ATOM 0 HA TYR A 19 3.536 22.389 -13.767 1.00 0.00 H new ATOM 0 HB2 TYR A 19 1.679 24.234 -12.223 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.192 24.782 -12.917 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.511 24.536 -15.456 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.275 24.084 -13.563 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.392 24.911 -17.609 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.400 24.456 -15.713 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.171 24.868 -17.873 1.00 0.00 H new ATOM 251 N ASP A 20 3.400 22.245 -10.517 1.00 0.00 N ATOM 252 CA ASP A 20 4.214 22.114 -9.316 1.00 0.00 C ATOM 253 C ASP A 20 4.798 20.713 -9.195 1.00 0.00 C ATOM 254 O ASP A 20 5.738 20.484 -8.434 1.00 0.00 O ATOM 255 CB ASP A 20 3.390 22.449 -8.069 1.00 0.00 C ATOM 256 CG ASP A 20 3.024 23.921 -7.934 1.00 0.00 C ATOM 257 OD1 ASP A 20 3.574 24.718 -8.656 1.00 0.00 O ATOM 258 OD2 ASP A 20 2.091 24.218 -7.226 1.00 0.00 O ATOM 0 H ASP A 20 2.411 22.037 -10.380 1.00 0.00 H new ATOM 0 HA ASP A 20 5.039 22.822 -9.396 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.474 21.859 -8.085 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.950 22.144 -7.185 1.00 0.00 H new ATOM 263 N PHE A 21 4.234 19.776 -9.952 1.00 0.00 N ATOM 264 CA PHE A 21 4.825 18.451 -10.097 1.00 0.00 C ATOM 265 C PHE A 21 6.091 18.502 -10.942 1.00 0.00 C ATOM 266 O PHE A 21 7.026 17.732 -10.725 1.00 0.00 O ATOM 267 CB PHE A 21 3.817 17.481 -10.716 1.00 0.00 C ATOM 268 CG PHE A 21 4.321 16.070 -10.825 1.00 0.00 C ATOM 269 CD1 PHE A 21 4.623 15.337 -9.687 1.00 0.00 C ATOM 270 CD2 PHE A 21 4.495 15.474 -12.064 1.00 0.00 C ATOM 271 CE1 PHE A 21 5.086 14.039 -9.786 1.00 0.00 C ATOM 272 CE2 PHE A 21 4.958 14.177 -12.167 1.00 0.00 C ATOM 273 CZ PHE A 21 5.254 13.458 -11.026 1.00 0.00 C ATOM 0 H PHE A 21 3.368 19.911 -10.474 1.00 0.00 H new ATOM 0 HA PHE A 21 5.094 18.095 -9.103 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.907 17.486 -10.117 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.546 17.838 -11.710 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.495 15.786 -8.713 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.266 16.031 -12.960 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.317 13.479 -8.892 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.088 13.725 -13.139 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.616 12.443 -11.104 1.00 0.00 H new ATOM 283 N GLU A 22 6.114 19.414 -11.909 1.00 0.00 N ATOM 284 CA GLU A 22 7.332 19.707 -12.657 1.00 0.00 C ATOM 285 C GLU A 22 8.391 20.333 -11.760 1.00 0.00 C ATOM 286 O GLU A 22 9.589 20.130 -11.962 1.00 0.00 O ATOM 287 CB GLU A 22 7.026 20.632 -13.836 1.00 0.00 C ATOM 288 CG GLU A 22 6.228 19.980 -14.957 1.00 0.00 C ATOM 289 CD GLU A 22 6.955 18.792 -15.524 1.00 0.00 C ATOM 290 OE1 GLU A 22 8.105 18.928 -15.863 1.00 0.00 O ATOM 291 OE2 GLU A 22 6.396 17.719 -15.515 1.00 0.00 O ATOM 0 H GLU A 22 5.303 19.963 -12.193 1.00 0.00 H new ATOM 0 HA GLU A 22 7.724 18.765 -13.040 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.474 21.497 -13.469 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.966 21.003 -14.244 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.255 19.667 -14.579 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.045 20.708 -15.747 1.00 0.00 H new ATOM 298 N LYS A 23 7.945 21.098 -10.769 1.00 0.00 N ATOM 299 CA LYS A 23 8.837 21.620 -9.741 1.00 0.00 C ATOM 300 C LYS A 23 9.294 20.517 -8.796 1.00 0.00 C ATOM 301 O LYS A 23 10.439 20.508 -8.344 1.00 0.00 O ATOM 302 CB LYS A 23 8.151 22.737 -8.954 1.00 0.00 C ATOM 303 CG LYS A 23 7.830 23.979 -9.773 1.00 0.00 C ATOM 304 CD LYS A 23 7.027 24.986 -8.963 1.00 0.00 C ATOM 305 CE LYS A 23 6.460 26.086 -9.848 1.00 0.00 C ATOM 306 NZ LYS A 23 5.416 26.881 -9.148 1.00 0.00 N ATOM 0 H LYS A 23 6.969 21.371 -10.656 1.00 0.00 H new ATOM 0 HA LYS A 23 9.717 22.027 -10.239 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.226 22.349 -8.528 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.791 23.023 -8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.756 24.441 -10.115 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.268 23.695 -10.663 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.213 24.475 -8.449 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.662 25.427 -8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.266 26.747 -10.167 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.035 25.644 -10.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.056 27.619 -9.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.634 26.256 -8.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.827 27.325 -8.302 1.00 0.00 H new ATOM 320 N PHE A 24 8.392 19.587 -8.500 1.00 0.00 N ATOM 321 CA PHE A 24 8.748 18.385 -7.756 1.00 0.00 C ATOM 322 C PHE A 24 9.893 17.638 -8.428 1.00 0.00 C ATOM 323 O PHE A 24 10.832 17.195 -7.767 1.00 0.00 O ATOM 324 CB PHE A 24 7.533 17.466 -7.612 1.00 0.00 C ATOM 325 CG PHE A 24 7.792 16.243 -6.780 1.00 0.00 C ATOM 326 CD1 PHE A 24 7.659 16.284 -5.400 1.00 0.00 C ATOM 327 CD2 PHE A 24 8.172 15.049 -7.374 1.00 0.00 C ATOM 328 CE1 PHE A 24 7.898 15.160 -4.633 1.00 0.00 C ATOM 329 CE2 PHE A 24 8.411 13.923 -6.610 1.00 0.00 C ATOM 330 CZ PHE A 24 8.273 13.979 -5.238 1.00 0.00 C ATOM 0 H PHE A 24 7.408 19.643 -8.764 1.00 0.00 H new ATOM 0 HA PHE A 24 9.079 18.693 -6.764 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.714 18.030 -7.166 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.204 17.156 -8.604 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.365 17.205 -4.919 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.282 14.999 -8.447 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.791 15.206 -3.559 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.706 13.000 -7.086 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.458 13.099 -4.639 1.00 0.00 H new ATOM 340 N LYS A 25 9.809 17.502 -9.747 1.00 0.00 N ATOM 341 CA LYS A 25 10.872 16.873 -10.522 1.00 0.00 C ATOM 342 C LYS A 25 12.190 17.618 -10.356 1.00 0.00 C ATOM 343 O LYS A 25 13.241 17.006 -10.157 1.00 0.00 O ATOM 344 CB LYS A 25 10.490 16.805 -12.001 1.00 0.00 C ATOM 345 CG LYS A 25 9.362 15.831 -12.314 1.00 0.00 C ATOM 346 CD LYS A 25 8.946 15.917 -13.776 1.00 0.00 C ATOM 347 CE LYS A 25 7.906 14.861 -14.120 1.00 0.00 C ATOM 348 NZ LYS A 25 7.417 14.997 -15.518 1.00 0.00 N ATOM 0 H LYS A 25 9.015 17.819 -10.302 1.00 0.00 H new ATOM 0 HA LYS A 25 11.003 15.859 -10.144 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.197 17.801 -12.334 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.370 16.521 -12.579 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.682 14.815 -12.084 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.505 16.047 -11.677 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.543 16.908 -13.983 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.821 15.789 -14.413 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.336 13.869 -13.981 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.065 14.943 -13.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.775 14.210 -15.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.909 15.898 -15.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.225 14.978 -16.172 1.00 0.00 H new ATOM 362 N PHE A 26 12.129 18.942 -10.437 1.00 0.00 N ATOM 363 CA PHE A 26 13.330 19.769 -10.412 1.00 0.00 C ATOM 364 C PHE A 26 14.173 19.478 -9.176 1.00 0.00 C ATOM 365 O PHE A 26 15.382 19.266 -9.273 1.00 0.00 O ATOM 366 CB PHE A 26 12.961 21.251 -10.459 1.00 0.00 C ATOM 367 CG PHE A 26 14.146 22.174 -10.410 1.00 0.00 C ATOM 368 CD1 PHE A 26 14.903 22.413 -11.547 1.00 0.00 C ATOM 369 CD2 PHE A 26 14.505 22.802 -9.228 1.00 0.00 C ATOM 370 CE1 PHE A 26 15.994 23.262 -11.503 1.00 0.00 C ATOM 371 CE2 PHE A 26 15.594 23.652 -9.182 1.00 0.00 C ATOM 372 CZ PHE A 26 16.340 23.881 -10.321 1.00 0.00 C ATOM 0 H PHE A 26 11.259 19.467 -10.521 1.00 0.00 H new ATOM 0 HA PHE A 26 13.922 19.524 -11.294 1.00 0.00 H new ATOM 0 HB2 PHE A 26 12.398 21.447 -11.371 1.00 0.00 H new ATOM 0 HB3 PHE A 26 12.301 21.478 -9.622 1.00 0.00 H new ATOM 0 HD1 PHE A 26 14.638 21.931 -12.477 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.927 22.625 -8.333 1.00 0.00 H new ATOM 0 HE1 PHE A 26 16.575 23.440 -12.396 1.00 0.00 H new ATOM 0 HE2 PHE A 26 15.861 24.137 -8.255 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.192 24.543 -10.286 1.00 0.00 H new ATOM 382 N LYS A 27 13.528 19.469 -8.015 1.00 0.00 N ATOM 383 CA LYS A 27 14.229 19.288 -6.750 1.00 0.00 C ATOM 384 C LYS A 27 14.501 17.814 -6.476 1.00 0.00 C ATOM 385 O LYS A 27 15.432 17.470 -5.748 1.00 0.00 O ATOM 386 CB LYS A 27 13.425 19.897 -5.600 1.00 0.00 C ATOM 387 CG LYS A 27 13.298 21.414 -5.654 1.00 0.00 C ATOM 388 CD LYS A 27 14.654 22.087 -5.501 1.00 0.00 C ATOM 389 CE LYS A 27 14.520 23.604 -5.476 1.00 0.00 C ATOM 390 NZ LYS A 27 15.836 24.276 -5.306 1.00 0.00 N ATOM 0 H LYS A 27 12.519 19.585 -7.924 1.00 0.00 H new ATOM 0 HA LYS A 27 15.187 19.803 -6.824 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.426 19.461 -5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.894 19.617 -4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.847 21.710 -6.601 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.629 21.754 -4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.129 21.747 -4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.304 21.791 -6.324 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.057 23.943 -6.403 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.856 23.896 -4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.700 25.307 -5.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.267 23.973 -4.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.462 24.018 -6.096 1.00 0.00 H new ATOM 404 N LEU A 28 13.683 16.948 -7.063 1.00 0.00 N ATOM 405 CA LEU A 28 13.869 15.508 -6.931 1.00 0.00 C ATOM 406 C LEU A 28 15.205 15.069 -7.515 1.00 0.00 C ATOM 407 O LEU A 28 15.838 14.140 -7.013 1.00 0.00 O ATOM 408 CB LEU A 28 12.717 14.760 -7.613 1.00 0.00 C ATOM 409 CG LEU A 28 12.744 13.235 -7.454 1.00 0.00 C ATOM 410 CD1 LEU A 28 12.607 12.862 -5.984 1.00 0.00 C ATOM 411 CD2 LEU A 28 11.620 12.617 -8.273 1.00 0.00 C ATOM 0 H LEU A 28 12.884 17.219 -7.636 1.00 0.00 H new ATOM 0 HA LEU A 28 13.871 15.263 -5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.775 15.134 -7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.729 14.999 -8.676 1.00 0.00 H new ATOM 0 HG LEU A 28 13.696 12.849 -7.818 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.627 11.777 -5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.433 13.296 -5.420 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.663 13.246 -5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.640 11.533 -8.159 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.662 13.001 -7.923 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.752 12.874 -9.324 1.00 0.00 H new ATOM 423 N GLN A 29 15.631 15.742 -8.579 1.00 0.00 N ATOM 424 CA GLN A 29 16.893 15.422 -9.234 1.00 0.00 C ATOM 425 C GLN A 29 18.075 15.692 -8.313 1.00 0.00 C ATOM 426 O GLN A 29 19.164 15.151 -8.509 1.00 0.00 O ATOM 427 CB GLN A 29 17.048 16.233 -10.524 1.00 0.00 C ATOM 428 CG GLN A 29 16.110 15.810 -11.641 1.00 0.00 C ATOM 429 CD GLN A 29 16.220 16.706 -12.860 1.00 0.00 C ATOM 430 OE1 GLN A 29 17.018 17.647 -12.886 1.00 0.00 O ATOM 431 NE2 GLN A 29 15.414 16.422 -13.877 1.00 0.00 N ATOM 0 H GLN A 29 15.119 16.514 -9.006 1.00 0.00 H new ATOM 0 HA GLN A 29 16.880 14.360 -9.477 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.877 17.286 -10.301 1.00 0.00 H new ATOM 0 HB3 GLN A 29 18.076 16.144 -10.875 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.332 14.782 -11.928 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.084 15.824 -11.275 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.770 15.634 -13.812 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.440 16.992 -14.723 1.00 0.00 H new ATOM 440 N ASN A 30 17.856 16.532 -7.307 1.00 0.00 N ATOM 441 CA ASN A 30 18.935 16.985 -6.438 1.00 0.00 C ATOM 442 C ASN A 30 18.909 16.256 -5.100 1.00 0.00 C ATOM 443 O ASN A 30 19.484 16.723 -4.116 1.00 0.00 O ATOM 444 CB ASN A 30 18.878 18.486 -6.219 1.00 0.00 C ATOM 445 CG ASN A 30 19.134 19.289 -7.463 1.00 0.00 C ATOM 446 OD1 ASN A 30 20.240 19.278 -8.017 1.00 0.00 O ATOM 447 ND2 ASN A 30 18.144 20.048 -7.859 1.00 0.00 N ATOM 0 H ASN A 30 16.939 16.913 -7.073 1.00 0.00 H new ATOM 0 HA ASN A 30 19.873 16.749 -6.941 1.00 0.00 H new ATOM 0 HB2 ASN A 30 17.897 18.749 -5.823 1.00 0.00 H new ATOM 0 HB3 ASN A 30 19.612 18.762 -5.462 1.00 0.00 H new ATOM 0 HD21 ASN A 30 18.265 20.668 -8.660 1.00 0.00 H new ATOM 0 HD22 ASN A 30 17.251 20.019 -7.367 1.00 0.00 H new ATOM 454 N THR A 31 18.239 15.110 -5.070 1.00 0.00 N ATOM 455 CA THR A 31 18.181 14.287 -3.867 1.00 0.00 C ATOM 456 C THR A 31 19.393 13.368 -3.771 1.00 0.00 C ATOM 457 O THR A 31 20.093 13.142 -4.758 1.00 0.00 O ATOM 458 CB THR A 31 16.899 13.435 -3.825 1.00 0.00 C ATOM 459 OG1 THR A 31 16.851 12.584 -4.977 1.00 0.00 O ATOM 460 CG2 THR A 31 15.667 14.327 -3.807 1.00 0.00 C ATOM 0 H THR A 31 17.728 14.729 -5.866 1.00 0.00 H new ATOM 0 HA THR A 31 18.178 14.971 -3.018 1.00 0.00 H new ATOM 0 HB THR A 31 16.911 12.831 -2.918 1.00 0.00 H new ATOM 0 HG1 THR A 31 16.407 13.055 -5.713 1.00 0.00 H new ATOM 0 HG21 THR A 31 14.770 13.708 -3.777 1.00 0.00 H new ATOM 0 HG22 THR A 31 15.695 14.968 -2.926 1.00 0.00 H new ATOM 0 HG23 THR A 31 15.652 14.945 -4.705 1.00 0.00 H new ATOM 468 N SER A 32 19.634 12.840 -2.576 1.00 0.00 N ATOM 469 CA SER A 32 20.783 11.973 -2.339 1.00 0.00 C ATOM 470 C SER A 32 20.432 10.513 -2.591 1.00 0.00 C ATOM 471 O SER A 32 19.276 10.177 -2.852 1.00 0.00 O ATOM 472 CB SER A 32 21.292 12.157 -0.923 1.00 0.00 C ATOM 473 OG SER A 32 20.399 11.649 0.028 1.00 0.00 O ATOM 0 H SER A 32 19.049 12.997 -1.756 1.00 0.00 H new ATOM 0 HA SER A 32 21.570 12.254 -3.038 1.00 0.00 H new ATOM 0 HB2 SER A 32 22.256 11.659 -0.817 1.00 0.00 H new ATOM 0 HB3 SER A 32 21.459 13.217 -0.733 1.00 0.00 H new ATOM 0 HG SER A 32 20.516 10.679 0.101 1.00 0.00 H new ATOM 479 N VAL A 33 21.436 9.646 -2.513 1.00 0.00 N ATOM 480 CA VAL A 33 21.232 8.216 -2.715 1.00 0.00 C ATOM 481 C VAL A 33 22.279 7.401 -1.968 1.00 0.00 C ATOM 482 O VAL A 33 23.449 7.780 -1.906 1.00 0.00 O ATOM 483 CB VAL A 33 21.276 7.845 -4.209 1.00 0.00 C ATOM 484 CG1 VAL A 33 22.664 8.095 -4.780 1.00 0.00 C ATOM 485 CG2 VAL A 33 20.873 6.392 -4.408 1.00 0.00 C ATOM 0 H VAL A 33 22.401 9.909 -2.311 1.00 0.00 H new ATOM 0 HA VAL A 33 20.243 7.980 -2.321 1.00 0.00 H new ATOM 0 HB VAL A 33 20.565 8.477 -4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 33 22.676 7.827 -5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 33 22.918 9.149 -4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 33 23.393 7.488 -4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.909 6.146 -5.469 1.00 0.00 H new ATOM 0 HG22 VAL A 33 21.560 5.746 -3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 33 19.860 6.241 -4.035 1.00 0.00 H new ATOM 495 N GLN A 34 21.853 6.276 -1.401 1.00 0.00 N ATOM 496 CA GLN A 34 22.758 5.390 -0.680 1.00 0.00 C ATOM 497 C GLN A 34 23.491 4.456 -1.635 1.00 0.00 C ATOM 498 O GLN A 34 23.084 4.281 -2.783 1.00 0.00 O ATOM 499 CB GLN A 34 21.990 4.570 0.359 1.00 0.00 C ATOM 500 CG GLN A 34 21.309 5.402 1.431 1.00 0.00 C ATOM 501 CD GLN A 34 22.297 6.213 2.248 1.00 0.00 C ATOM 502 OE1 GLN A 34 23.238 5.666 2.832 1.00 0.00 O ATOM 503 NE2 GLN A 34 22.088 7.523 2.298 1.00 0.00 N ATOM 0 H GLN A 34 20.885 5.957 -1.428 1.00 0.00 H new ATOM 0 HA GLN A 34 23.495 6.011 -0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 34 21.237 3.971 -0.153 1.00 0.00 H new ATOM 0 HB3 GLN A 34 22.679 3.875 0.838 1.00 0.00 H new ATOM 0 HG2 GLN A 34 20.590 6.075 0.963 1.00 0.00 H new ATOM 0 HG3 GLN A 34 20.746 4.745 2.094 1.00 0.00 H new ATOM 0 HE21 GLN A 34 21.298 7.933 1.800 1.00 0.00 H new ATOM 0 HE22 GLN A 34 22.718 8.120 2.834 1.00 0.00 H new ATOM 512 N LYS A 35 24.576 3.858 -1.152 1.00 0.00 N ATOM 513 CA LYS A 35 25.375 2.949 -1.966 1.00 0.00 C ATOM 514 C LYS A 35 24.526 1.808 -2.510 1.00 0.00 C ATOM 515 O LYS A 35 24.604 1.474 -3.692 1.00 0.00 O ATOM 516 CB LYS A 35 26.546 2.394 -1.154 1.00 0.00 C ATOM 517 CG LYS A 35 27.459 1.453 -1.929 1.00 0.00 C ATOM 518 CD LYS A 35 28.634 0.996 -1.079 1.00 0.00 C ATOM 519 CE LYS A 35 29.523 0.023 -1.838 1.00 0.00 C ATOM 520 NZ LYS A 35 30.674 -0.438 -1.016 1.00 0.00 N ATOM 0 H LYS A 35 24.922 3.987 -0.201 1.00 0.00 H new ATOM 0 HA LYS A 35 25.767 3.514 -2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 35 27.139 3.228 -0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 35 26.152 1.865 -0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 35 26.890 0.585 -2.263 1.00 0.00 H new ATOM 0 HG3 LYS A 35 27.828 1.956 -2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 35 29.220 1.862 -0.770 1.00 0.00 H new ATOM 0 HD3 LYS A 35 28.265 0.521 -0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 35 28.933 -0.838 -2.151 1.00 0.00 H new ATOM 0 HE3 LYS A 35 29.894 0.502 -2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 31.254 -1.099 -1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 31.252 0.381 -0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 30.322 -0.918 -0.163 1.00 0.00 H new ATOM 534 N GLU A 36 23.718 1.212 -1.641 1.00 0.00 N ATOM 535 CA GLU A 36 22.894 0.070 -2.019 1.00 0.00 C ATOM 536 C GLU A 36 21.691 0.507 -2.845 1.00 0.00 C ATOM 537 O GLU A 36 21.183 -0.252 -3.670 1.00 0.00 O ATOM 538 CB GLU A 36 22.429 -0.691 -0.775 1.00 0.00 C ATOM 539 CG GLU A 36 23.544 -1.397 -0.017 1.00 0.00 C ATOM 540 CD GLU A 36 23.023 -2.062 1.226 1.00 0.00 C ATOM 541 OE1 GLU A 36 21.848 -1.953 1.488 1.00 0.00 O ATOM 542 OE2 GLU A 36 23.773 -2.772 1.855 1.00 0.00 O ATOM 0 H GLU A 36 23.616 1.501 -0.668 1.00 0.00 H new ATOM 0 HA GLU A 36 23.505 -0.593 -2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 36 21.933 0.007 -0.101 1.00 0.00 H new ATOM 0 HB3 GLU A 36 21.684 -1.429 -1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 36 24.010 -2.142 -0.662 1.00 0.00 H new ATOM 0 HG3 GLU A 36 24.318 -0.677 0.250 1.00 0.00 H new ATOM 549 N HIS A 37 21.239 1.736 -2.618 1.00 0.00 N ATOM 550 CA HIS A 37 20.057 2.255 -3.296 1.00 0.00 C ATOM 551 C HIS A 37 20.392 2.722 -4.707 1.00 0.00 C ATOM 552 O HIS A 37 21.535 3.070 -5.001 1.00 0.00 O ATOM 553 CB HIS A 37 19.437 3.407 -2.497 1.00 0.00 C ATOM 554 CG HIS A 37 18.860 2.983 -1.181 1.00 0.00 C ATOM 555 ND1 HIS A 37 18.511 3.886 -0.199 1.00 0.00 N ATOM 556 CD2 HIS A 37 18.573 1.757 -0.687 1.00 0.00 C ATOM 557 CE1 HIS A 37 18.032 3.231 0.845 1.00 0.00 C ATOM 558 NE2 HIS A 37 18.060 1.939 0.573 1.00 0.00 N ATOM 0 H HIS A 37 21.674 2.392 -1.969 1.00 0.00 H new ATOM 0 HA HIS A 37 19.333 1.443 -3.365 1.00 0.00 H new ATOM 0 HB2 HIS A 37 20.198 4.168 -2.322 1.00 0.00 H new ATOM 0 HB3 HIS A 37 18.653 3.872 -3.095 1.00 0.00 H new ATOM 0 HD1 HIS A 37 18.607 4.899 -0.267 1.00 0.00 H new ATOM 0 HD2 HIS A 37 18.720 0.812 -1.190 1.00 0.00 H new ATOM 0 HE1 HIS A 37 17.678 3.676 1.763 1.00 0.00 H new ATOM 566 N SER A 38 19.388 2.725 -5.577 1.00 0.00 N ATOM 567 CA SER A 38 19.565 3.188 -6.949 1.00 0.00 C ATOM 568 C SER A 38 19.101 4.630 -7.107 1.00 0.00 C ATOM 569 O SER A 38 18.166 5.069 -6.438 1.00 0.00 O ATOM 570 CB SER A 38 18.813 2.284 -7.905 1.00 0.00 C ATOM 571 OG SER A 38 19.346 0.988 -7.933 1.00 0.00 O ATOM 0 H SER A 38 18.443 2.412 -5.357 1.00 0.00 H new ATOM 0 HA SER A 38 20.628 3.150 -7.186 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.764 2.238 -7.611 1.00 0.00 H new ATOM 0 HB3 SER A 38 18.845 2.711 -8.908 1.00 0.00 H new ATOM 0 HG SER A 38 18.832 0.437 -8.560 1.00 0.00 H new ATOM 577 N ARG A 39 19.761 5.364 -7.997 1.00 0.00 N ATOM 578 CA ARG A 39 19.400 6.751 -8.266 1.00 0.00 C ATOM 579 C ARG A 39 18.753 6.897 -9.637 1.00 0.00 C ATOM 580 O ARG A 39 19.282 6.414 -10.638 1.00 0.00 O ATOM 581 CB ARG A 39 20.585 7.693 -8.105 1.00 0.00 C ATOM 582 CG ARG A 39 20.240 9.172 -8.186 1.00 0.00 C ATOM 583 CD ARG A 39 21.391 10.082 -7.952 1.00 0.00 C ATOM 584 NE ARG A 39 21.051 11.496 -7.954 1.00 0.00 N ATOM 585 CZ ARG A 39 21.924 12.493 -7.712 1.00 0.00 C ATOM 586 NH1 ARG A 39 23.177 12.237 -7.413 1.00 0.00 N ATOM 587 NH2 ARG A 39 21.480 13.737 -7.760 1.00 0.00 N ATOM 0 H ARG A 39 20.550 5.021 -8.545 1.00 0.00 H new ATOM 0 HA ARG A 39 18.662 7.041 -7.518 1.00 0.00 H new ATOM 0 HB2 ARG A 39 21.059 7.497 -7.143 1.00 0.00 H new ATOM 0 HB3 ARG A 39 21.321 7.463 -8.875 1.00 0.00 H new ATOM 0 HG2 ARG A 39 19.820 9.382 -9.170 1.00 0.00 H new ATOM 0 HG3 ARG A 39 19.463 9.392 -7.454 1.00 0.00 H new ATOM 0 HD2 ARG A 39 21.847 9.832 -6.994 1.00 0.00 H new ATOM 0 HD3 ARG A 39 22.143 9.901 -8.720 1.00 0.00 H new ATOM 0 HE ARG A 39 20.083 11.751 -8.153 1.00 0.00 H new ATOM 0 HH11 ARG A 39 23.502 11.272 -7.361 1.00 0.00 H new ATOM 0 HH12 ARG A 39 23.825 13.004 -7.233 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.500 13.921 -7.976 1.00 0.00 H new ATOM 0 HH22 ARG A 39 22.117 14.513 -7.581 1.00 0.00 H new ATOM 601 N ILE A 40 17.604 7.564 -9.675 1.00 0.00 N ATOM 602 CA ILE A 40 16.844 7.710 -10.911 1.00 0.00 C ATOM 603 C ILE A 40 17.464 8.765 -11.818 1.00 0.00 C ATOM 604 O ILE A 40 17.669 9.907 -11.407 1.00 0.00 O ATOM 605 CB ILE A 40 15.378 8.085 -10.631 1.00 0.00 C ATOM 606 CG1 ILE A 40 14.703 7.005 -9.781 1.00 0.00 C ATOM 607 CG2 ILE A 40 14.622 8.290 -11.935 1.00 0.00 C ATOM 608 CD1 ILE A 40 13.319 7.379 -9.304 1.00 0.00 C ATOM 0 H ILE A 40 17.179 8.012 -8.863 1.00 0.00 H new ATOM 0 HA ILE A 40 16.872 6.743 -11.413 1.00 0.00 H new ATOM 0 HB ILE A 40 15.361 9.022 -10.074 1.00 0.00 H new ATOM 0 HG12 ILE A 40 14.640 6.085 -10.362 1.00 0.00 H new ATOM 0 HG13 ILE A 40 15.330 6.793 -8.915 1.00 0.00 H new ATOM 0 HG21 ILE A 40 13.587 8.555 -11.718 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.090 9.093 -12.505 1.00 0.00 H new ATOM 0 HG23 ILE A 40 14.646 7.370 -12.518 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.907 6.564 -8.709 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.376 8.281 -8.694 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.675 7.562 -10.164 1.00 0.00 H new ATOM 620 N PRO A 41 17.762 8.376 -13.053 1.00 0.00 N ATOM 621 CA PRO A 41 18.360 9.288 -14.021 1.00 0.00 C ATOM 622 C PRO A 41 17.519 10.547 -14.185 1.00 0.00 C ATOM 623 O PRO A 41 16.293 10.502 -14.091 1.00 0.00 O ATOM 624 CB PRO A 41 18.430 8.468 -15.313 1.00 0.00 C ATOM 625 CG PRO A 41 18.490 7.052 -14.853 1.00 0.00 C ATOM 626 CD PRO A 41 17.624 6.996 -13.622 1.00 0.00 C ATOM 0 HA PRO A 41 19.342 9.646 -13.713 1.00 0.00 H new ATOM 0 HB2 PRO A 41 17.558 8.644 -15.943 1.00 0.00 H new ATOM 0 HB3 PRO A 41 19.308 8.731 -15.903 1.00 0.00 H new ATOM 0 HG2 PRO A 41 18.124 6.373 -15.623 1.00 0.00 H new ATOM 0 HG3 PRO A 41 19.514 6.755 -14.627 1.00 0.00 H new ATOM 0 HD2 PRO A 41 16.588 6.762 -13.867 1.00 0.00 H new ATOM 0 HD3 PRO A 41 17.966 6.234 -12.922 1.00 0.00 H new ATOM 634 N ARG A 42 18.186 11.669 -14.432 1.00 0.00 N ATOM 635 CA ARG A 42 17.503 12.949 -14.579 1.00 0.00 C ATOM 636 C ARG A 42 16.515 12.914 -15.738 1.00 0.00 C ATOM 637 O ARG A 42 15.471 13.567 -15.696 1.00 0.00 O ATOM 638 CB ARG A 42 18.480 14.108 -14.715 1.00 0.00 C ATOM 639 CG ARG A 42 19.254 14.443 -13.450 1.00 0.00 C ATOM 640 CD ARG A 42 20.216 15.564 -13.600 1.00 0.00 C ATOM 641 NE ARG A 42 20.966 15.880 -12.395 1.00 0.00 N ATOM 642 CZ ARG A 42 21.929 16.818 -12.317 1.00 0.00 C ATOM 643 NH1 ARG A 42 22.288 17.510 -13.376 1.00 0.00 N ATOM 644 NH2 ARG A 42 22.521 17.011 -11.150 1.00 0.00 N ATOM 0 H ARG A 42 19.200 11.718 -14.535 1.00 0.00 H new ATOM 0 HA ARG A 42 16.938 13.119 -13.662 1.00 0.00 H new ATOM 0 HB2 ARG A 42 19.191 13.874 -15.508 1.00 0.00 H new ATOM 0 HB3 ARG A 42 17.929 14.994 -15.032 1.00 0.00 H new ATOM 0 HG2 ARG A 42 18.545 14.691 -12.660 1.00 0.00 H new ATOM 0 HG3 ARG A 42 19.797 13.555 -13.124 1.00 0.00 H new ATOM 0 HD2 ARG A 42 20.919 15.319 -14.396 1.00 0.00 H new ATOM 0 HD3 ARG A 42 19.672 16.453 -13.918 1.00 0.00 H new ATOM 0 HE ARG A 42 20.747 15.354 -11.549 1.00 0.00 H new ATOM 0 HH11 ARG A 42 21.835 17.340 -14.274 1.00 0.00 H new ATOM 0 HH12 ARG A 42 23.019 18.217 -13.299 1.00 0.00 H new ATOM 0 HH21 ARG A 42 22.244 16.456 -10.340 1.00 0.00 H new ATOM 0 HH22 ARG A 42 23.254 17.715 -11.060 1.00 0.00 H new ATOM 658 N SER A 43 16.849 12.151 -16.773 1.00 0.00 N ATOM 659 CA SER A 43 15.988 12.025 -17.943 1.00 0.00 C ATOM 660 C SER A 43 14.721 11.245 -17.613 1.00 0.00 C ATOM 661 O SER A 43 13.693 11.406 -18.271 1.00 0.00 O ATOM 662 CB SER A 43 16.741 11.356 -19.075 1.00 0.00 C ATOM 663 OG SER A 43 17.058 10.023 -18.781 1.00 0.00 O ATOM 0 H SER A 43 17.712 11.609 -16.825 1.00 0.00 H new ATOM 0 HA SER A 43 15.692 13.026 -18.257 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.139 11.393 -19.983 1.00 0.00 H new ATOM 0 HB3 SER A 43 17.658 11.910 -19.278 1.00 0.00 H new ATOM 0 HG SER A 43 17.541 9.627 -19.536 1.00 0.00 H new ATOM 669 N GLN A 44 14.802 10.400 -16.591 1.00 0.00 N ATOM 670 CA GLN A 44 13.665 9.584 -16.181 1.00 0.00 C ATOM 671 C GLN A 44 12.786 10.326 -15.182 1.00 0.00 C ATOM 672 O GLN A 44 11.576 10.114 -15.128 1.00 0.00 O ATOM 673 CB GLN A 44 14.146 8.266 -15.566 1.00 0.00 C ATOM 674 CG GLN A 44 14.943 7.391 -16.518 1.00 0.00 C ATOM 675 CD GLN A 44 14.200 7.115 -17.810 1.00 0.00 C ATOM 676 OE1 GLN A 44 13.062 6.638 -17.799 1.00 0.00 O ATOM 677 NE2 GLN A 44 14.842 7.409 -18.935 1.00 0.00 N ATOM 0 H GLN A 44 15.643 10.262 -16.031 1.00 0.00 H new ATOM 0 HA GLN A 44 13.073 9.371 -17.071 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.760 8.488 -14.693 1.00 0.00 H new ATOM 0 HB3 GLN A 44 13.281 7.705 -15.213 1.00 0.00 H new ATOM 0 HG2 GLN A 44 15.892 7.877 -16.745 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.177 6.446 -16.028 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.782 7.802 -18.898 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.395 7.242 -19.836 1.00 0.00 H new ATOM 686 N ILE A 45 13.405 11.198 -14.391 1.00 0.00 N ATOM 687 CA ILE A 45 12.664 12.092 -13.510 1.00 0.00 C ATOM 688 C ILE A 45 11.902 13.144 -14.306 1.00 0.00 C ATOM 689 O ILE A 45 10.735 13.424 -14.028 1.00 0.00 O ATOM 690 CB ILE A 45 13.594 12.796 -12.507 1.00 0.00 C ATOM 691 CG1 ILE A 45 14.156 11.788 -11.501 1.00 0.00 C ATOM 692 CG2 ILE A 45 12.854 13.914 -11.788 1.00 0.00 C ATOM 693 CD1 ILE A 45 15.268 12.340 -10.639 1.00 0.00 C ATOM 0 H ILE A 45 14.418 11.304 -14.343 1.00 0.00 H new ATOM 0 HA ILE A 45 11.955 11.473 -12.960 1.00 0.00 H new ATOM 0 HB ILE A 45 14.427 13.235 -13.057 1.00 0.00 H new ATOM 0 HG12 ILE A 45 13.347 11.443 -10.857 1.00 0.00 H new ATOM 0 HG13 ILE A 45 14.527 10.917 -12.042 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.527 14.401 -11.082 1.00 0.00 H new ATOM 0 HG22 ILE A 45 12.502 14.644 -12.516 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.002 13.499 -11.249 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.614 11.567 -9.952 1.00 0.00 H new ATOM 0 HD12 ILE A 45 16.095 12.659 -11.273 1.00 0.00 H new ATOM 0 HD13 ILE A 45 14.898 13.192 -10.069 1.00 0.00 H new ATOM 705 N GLN A 46 12.567 13.724 -15.299 1.00 0.00 N ATOM 706 CA GLN A 46 11.956 14.750 -16.134 1.00 0.00 C ATOM 707 C GLN A 46 10.762 14.198 -16.900 1.00 0.00 C ATOM 708 O GLN A 46 9.800 14.916 -17.171 1.00 0.00 O ATOM 709 CB GLN A 46 12.982 15.322 -17.118 1.00 0.00 C ATOM 710 CG GLN A 46 12.461 16.473 -17.961 1.00 0.00 C ATOM 711 CD GLN A 46 12.067 17.673 -17.121 1.00 0.00 C ATOM 712 OE1 GLN A 46 12.805 18.090 -16.223 1.00 0.00 O ATOM 713 NE2 GLN A 46 10.897 18.234 -17.404 1.00 0.00 N ATOM 0 H GLN A 46 13.531 13.500 -15.545 1.00 0.00 H new ATOM 0 HA GLN A 46 11.606 15.546 -15.477 1.00 0.00 H new ATOM 0 HB2 GLN A 46 13.855 15.661 -16.560 1.00 0.00 H new ATOM 0 HB3 GLN A 46 13.318 14.524 -17.780 1.00 0.00 H new ATOM 0 HG2 GLN A 46 13.226 16.770 -18.678 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.599 16.137 -18.537 1.00 0.00 H new ATOM 0 HE21 GLN A 46 10.319 17.857 -18.155 1.00 0.00 H new ATOM 0 HE22 GLN A 46 10.577 19.042 -16.871 1.00 0.00 H new ATOM 722 N ARG A 47 10.829 12.917 -17.249 1.00 0.00 N ATOM 723 CA ARG A 47 9.779 12.280 -18.033 1.00 0.00 C ATOM 724 C ARG A 47 8.880 11.419 -17.156 1.00 0.00 C ATOM 725 O ARG A 47 8.121 10.587 -17.654 1.00 0.00 O ATOM 726 CB ARG A 47 10.338 11.487 -19.204 1.00 0.00 C ATOM 727 CG ARG A 47 11.051 12.319 -20.259 1.00 0.00 C ATOM 728 CD ARG A 47 11.552 11.538 -21.419 1.00 0.00 C ATOM 729 NE ARG A 47 12.193 12.337 -22.451 1.00 0.00 N ATOM 730 CZ ARG A 47 12.768 11.835 -23.561 1.00 0.00 C ATOM 731 NH1 ARG A 47 12.820 10.538 -23.770 1.00 0.00 N ATOM 732 NH2 ARG A 47 13.303 12.681 -24.425 1.00 0.00 N ATOM 0 H ARG A 47 11.602 12.299 -17.000 1.00 0.00 H new ATOM 0 HA ARG A 47 9.168 13.078 -18.455 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.033 10.741 -18.820 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.521 10.946 -19.680 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.368 13.087 -20.621 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.891 12.833 -19.792 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.262 10.793 -21.060 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.718 10.995 -21.863 1.00 0.00 H new ATOM 0 HE ARG A 47 12.208 13.349 -22.326 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.421 9.895 -23.086 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.259 10.175 -24.616 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.273 13.684 -24.242 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.746 12.331 -25.275 1.00 0.00 H new ATOM 746 N ALA A 48 8.970 11.623 -15.846 1.00 0.00 N ATOM 747 CA ALA A 48 8.205 10.828 -14.893 1.00 0.00 C ATOM 748 C ALA A 48 6.741 11.250 -14.871 1.00 0.00 C ATOM 749 O ALA A 48 6.414 12.405 -15.146 1.00 0.00 O ATOM 750 CB ALA A 48 8.812 10.940 -13.501 1.00 0.00 C ATOM 0 H ALA A 48 9.566 12.333 -15.420 1.00 0.00 H new ATOM 0 HA ALA A 48 8.248 9.787 -15.213 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.230 10.341 -12.801 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.840 10.577 -13.522 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.802 11.982 -13.182 1.00 0.00 H new ATOM 756 N ARG A 49 5.864 10.308 -14.544 1.00 0.00 N ATOM 757 CA ARG A 49 4.457 10.617 -14.315 1.00 0.00 C ATOM 758 C ARG A 49 4.088 10.451 -12.847 1.00 0.00 C ATOM 759 O ARG A 49 4.773 9.751 -12.100 1.00 0.00 O ATOM 760 CB ARG A 49 3.537 9.806 -15.216 1.00 0.00 C ATOM 761 CG ARG A 49 3.602 10.169 -16.691 1.00 0.00 C ATOM 762 CD ARG A 49 2.712 9.358 -17.561 1.00 0.00 C ATOM 763 NE ARG A 49 2.823 9.656 -18.980 1.00 0.00 N ATOM 764 CZ ARG A 49 2.136 10.627 -19.614 1.00 0.00 C ATOM 765 NH1 ARG A 49 1.264 11.370 -18.970 1.00 0.00 N ATOM 766 NH2 ARG A 49 2.346 10.798 -20.908 1.00 0.00 N ATOM 0 H ARG A 49 6.102 9.323 -14.431 1.00 0.00 H new ATOM 0 HA ARG A 49 4.313 11.665 -14.579 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.783 8.750 -15.106 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.511 9.932 -14.871 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.342 11.221 -16.806 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.630 10.055 -17.036 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.936 8.303 -17.405 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.679 9.514 -17.249 1.00 0.00 H new ATOM 0 HE ARG A 49 3.466 9.091 -19.534 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.099 11.216 -17.975 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.753 12.101 -19.465 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.013 10.203 -21.399 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.841 11.525 -21.415 1.00 0.00 H new ATOM 780 N PRO A 50 3.002 11.098 -12.439 1.00 0.00 N ATOM 781 CA PRO A 50 2.521 10.997 -11.066 1.00 0.00 C ATOM 782 C PRO A 50 2.353 9.542 -10.646 1.00 0.00 C ATOM 783 O PRO A 50 2.577 9.190 -9.488 1.00 0.00 O ATOM 784 CB PRO A 50 1.189 11.752 -11.079 1.00 0.00 C ATOM 785 CG PRO A 50 1.333 12.741 -12.185 1.00 0.00 C ATOM 786 CD PRO A 50 2.145 12.041 -13.242 1.00 0.00 C ATOM 0 HA PRO A 50 3.219 11.418 -10.342 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.352 11.077 -11.256 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.003 12.247 -10.126 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.360 13.042 -12.572 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.833 13.646 -11.840 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.512 11.507 -13.950 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.748 12.742 -13.819 1.00 0.00 H new ATOM 794 N VAL A 51 1.956 8.701 -11.595 1.00 0.00 N ATOM 795 CA VAL A 51 1.783 7.277 -11.333 1.00 0.00 C ATOM 796 C VAL A 51 3.127 6.568 -11.234 1.00 0.00 C ATOM 797 O VAL A 51 3.369 5.803 -10.301 1.00 0.00 O ATOM 798 CB VAL A 51 0.937 6.600 -12.427 1.00 0.00 C ATOM 799 CG1 VAL A 51 0.904 5.093 -12.219 1.00 0.00 C ATOM 800 CG2 VAL A 51 -0.475 7.166 -12.437 1.00 0.00 C ATOM 0 H VAL A 51 1.748 8.981 -12.553 1.00 0.00 H new ATOM 0 HA VAL A 51 1.261 7.195 -10.380 1.00 0.00 H new ATOM 0 HB VAL A 51 1.397 6.805 -13.393 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.302 4.631 -13.001 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.919 4.698 -12.261 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.468 4.870 -11.245 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.058 6.676 -13.217 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.944 6.991 -11.469 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.436 8.238 -12.633 1.00 0.00 H new ATOM 810 N LYS A 52 4.000 6.828 -12.200 1.00 0.00 N ATOM 811 CA LYS A 52 5.276 6.128 -12.290 1.00 0.00 C ATOM 812 C LYS A 52 6.271 6.661 -11.268 1.00 0.00 C ATOM 813 O LYS A 52 7.246 5.991 -10.929 1.00 0.00 O ATOM 814 CB LYS A 52 5.856 6.248 -13.701 1.00 0.00 C ATOM 815 CG LYS A 52 5.042 5.542 -14.777 1.00 0.00 C ATOM 816 CD LYS A 52 5.671 5.718 -16.151 1.00 0.00 C ATOM 817 CE LYS A 52 4.884 4.977 -17.221 1.00 0.00 C ATOM 818 NZ LYS A 52 5.513 5.103 -18.563 1.00 0.00 N ATOM 0 H LYS A 52 3.847 7.520 -12.934 1.00 0.00 H new ATOM 0 HA LYS A 52 5.094 5.076 -12.071 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.938 7.304 -13.959 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.867 5.841 -13.701 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.968 4.480 -14.542 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.027 5.938 -14.786 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.716 6.778 -16.399 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.697 5.351 -16.133 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.811 3.923 -16.953 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.867 5.368 -17.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.945 4.584 -19.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.560 6.107 -18.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.474 4.707 -18.534 1.00 0.00 H new ATOM 832 N MET A 53 6.019 7.871 -10.780 1.00 0.00 N ATOM 833 CA MET A 53 6.922 8.520 -9.837 1.00 0.00 C ATOM 834 C MET A 53 7.077 7.695 -8.566 1.00 0.00 C ATOM 835 O MET A 53 8.185 7.306 -8.198 1.00 0.00 O ATOM 836 CB MET A 53 6.413 9.920 -9.499 1.00 0.00 C ATOM 837 CG MET A 53 7.307 10.702 -8.546 1.00 0.00 C ATOM 838 SD MET A 53 8.949 11.007 -9.227 1.00 0.00 S ATOM 839 CE MET A 53 8.622 12.416 -10.283 1.00 0.00 C ATOM 0 H MET A 53 5.196 8.422 -11.022 1.00 0.00 H new ATOM 0 HA MET A 53 7.902 8.601 -10.308 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.305 10.487 -10.424 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.419 9.836 -9.059 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.833 11.655 -8.309 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.403 10.152 -7.610 1.00 0.00 H new ATOM 0 HE1 MET A 53 9.544 12.723 -10.776 1.00 0.00 H new ATOM 0 HE2 MET A 53 7.882 12.143 -11.035 1.00 0.00 H new ATOM 0 HE3 MET A 53 8.240 13.241 -9.681 1.00 0.00 H new ATOM 849 N ALA A 54 5.959 7.431 -7.897 1.00 0.00 N ATOM 850 CA ALA A 54 5.972 6.672 -6.652 1.00 0.00 C ATOM 851 C ALA A 54 6.527 5.270 -6.868 1.00 0.00 C ATOM 852 O ALA A 54 7.253 4.743 -6.024 1.00 0.00 O ATOM 853 CB ALA A 54 4.573 6.606 -6.059 1.00 0.00 C ATOM 0 H ALA A 54 5.032 7.732 -8.197 1.00 0.00 H new ATOM 0 HA ALA A 54 6.627 7.187 -5.949 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.598 6.036 -5.130 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.216 7.616 -5.856 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.901 6.119 -6.765 1.00 0.00 H new ATOM 859 N THR A 55 6.184 4.671 -8.002 1.00 0.00 N ATOM 860 CA THR A 55 6.650 3.329 -8.332 1.00 0.00 C ATOM 861 C THR A 55 8.169 3.288 -8.447 1.00 0.00 C ATOM 862 O THR A 55 8.820 2.414 -7.874 1.00 0.00 O ATOM 863 CB THR A 55 6.032 2.823 -9.648 1.00 0.00 C ATOM 864 OG1 THR A 55 4.608 2.732 -9.507 1.00 0.00 O ATOM 865 CG2 THR A 55 6.590 1.455 -10.009 1.00 0.00 C ATOM 0 H THR A 55 5.584 5.094 -8.710 1.00 0.00 H new ATOM 0 HA THR A 55 6.331 2.677 -7.519 1.00 0.00 H new ATOM 0 HB THR A 55 6.281 3.527 -10.442 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.216 2.411 -10.346 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.141 1.114 -10.942 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.671 1.523 -10.130 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.358 0.746 -9.214 1.00 0.00 H new ATOM 873 N LEU A 56 8.727 4.235 -9.192 1.00 0.00 N ATOM 874 CA LEU A 56 10.167 4.284 -9.419 1.00 0.00 C ATOM 875 C LEU A 56 10.916 4.618 -8.135 1.00 0.00 C ATOM 876 O LEU A 56 11.998 4.089 -7.882 1.00 0.00 O ATOM 877 CB LEU A 56 10.497 5.307 -10.512 1.00 0.00 C ATOM 878 CG LEU A 56 10.067 4.909 -11.931 1.00 0.00 C ATOM 879 CD1 LEU A 56 10.271 6.078 -12.885 1.00 0.00 C ATOM 880 CD2 LEU A 56 10.868 3.697 -12.383 1.00 0.00 C ATOM 0 H LEU A 56 8.203 4.981 -9.650 1.00 0.00 H new ATOM 0 HA LEU A 56 10.491 3.297 -9.749 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.020 6.254 -10.257 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.573 5.481 -10.511 1.00 0.00 H new ATOM 0 HG LEU A 56 9.008 4.650 -11.932 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.963 5.786 -13.889 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.672 6.926 -12.554 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.324 6.359 -12.896 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.563 3.414 -13.390 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.930 3.941 -12.381 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.686 2.866 -11.702 1.00 0.00 H new ATOM 892 N LEU A 57 10.335 5.499 -7.330 1.00 0.00 N ATOM 893 CA LEU A 57 10.963 5.933 -6.088 1.00 0.00 C ATOM 894 C LEU A 57 11.083 4.781 -5.099 1.00 0.00 C ATOM 895 O LEU A 57 12.103 4.629 -4.427 1.00 0.00 O ATOM 896 CB LEU A 57 10.169 7.090 -5.467 1.00 0.00 C ATOM 897 CG LEU A 57 10.293 8.433 -6.197 1.00 0.00 C ATOM 898 CD1 LEU A 57 9.312 9.439 -5.609 1.00 0.00 C ATOM 899 CD2 LEU A 57 11.722 8.943 -6.085 1.00 0.00 C ATOM 0 H LEU A 57 9.428 5.928 -7.515 1.00 0.00 H new ATOM 0 HA LEU A 57 11.969 6.280 -6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.116 6.810 -5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.498 7.223 -4.436 1.00 0.00 H new ATOM 0 HG LEU A 57 10.051 8.298 -7.251 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.407 10.390 -6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.295 9.063 -5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.531 9.585 -4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.809 9.897 -6.604 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.979 9.076 -5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.402 8.221 -6.536 1.00 0.00 H new ATOM 911 N VAL A 58 10.033 3.970 -5.014 1.00 0.00 N ATOM 912 CA VAL A 58 10.038 2.799 -4.146 1.00 0.00 C ATOM 913 C VAL A 58 10.995 1.733 -4.663 1.00 0.00 C ATOM 914 O VAL A 58 11.700 1.087 -3.888 1.00 0.00 O ATOM 915 CB VAL A 58 8.630 2.190 -4.010 1.00 0.00 C ATOM 916 CG1 VAL A 58 8.699 0.842 -3.307 1.00 0.00 C ATOM 917 CG2 VAL A 58 7.710 3.136 -3.255 1.00 0.00 C ATOM 0 H VAL A 58 9.167 4.103 -5.537 1.00 0.00 H new ATOM 0 HA VAL A 58 10.373 3.137 -3.165 1.00 0.00 H new ATOM 0 HB VAL A 58 8.223 2.038 -5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.695 0.426 -3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.325 0.162 -3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.126 0.972 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.720 2.689 -3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.114 3.319 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.636 4.080 -3.795 1.00 0.00 H new ATOM 927 N THR A 59 11.015 1.552 -5.980 1.00 0.00 N ATOM 928 CA THR A 59 11.887 0.565 -6.604 1.00 0.00 C ATOM 929 C THR A 59 13.353 0.952 -6.455 1.00 0.00 C ATOM 930 O THR A 59 14.192 0.122 -6.105 1.00 0.00 O ATOM 931 CB THR A 59 11.563 0.391 -8.100 1.00 0.00 C ATOM 932 OG1 THR A 59 10.227 -0.108 -8.247 1.00 0.00 O ATOM 933 CG2 THR A 59 12.538 -0.581 -8.747 1.00 0.00 C ATOM 0 H THR A 59 10.436 2.077 -6.636 1.00 0.00 H new ATOM 0 HA THR A 59 11.710 -0.380 -6.090 1.00 0.00 H new ATOM 0 HB THR A 59 11.652 1.360 -8.591 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.590 0.632 -8.162 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.294 -0.692 -9.804 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.554 -0.198 -8.647 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.466 -1.551 -8.254 1.00 0.00 H new ATOM 941 N TYR A 60 13.655 2.219 -6.721 1.00 0.00 N ATOM 942 CA TYR A 60 15.035 2.687 -6.751 1.00 0.00 C ATOM 943 C TYR A 60 15.561 2.941 -5.344 1.00 0.00 C ATOM 944 O TYR A 60 16.587 2.391 -4.945 1.00 0.00 O ATOM 945 CB TYR A 60 15.151 3.959 -7.593 1.00 0.00 C ATOM 946 CG TYR A 60 15.301 3.701 -9.076 1.00 0.00 C ATOM 947 CD1 TYR A 60 14.269 3.133 -9.808 1.00 0.00 C ATOM 948 CD2 TYR A 60 16.474 4.030 -9.740 1.00 0.00 C ATOM 949 CE1 TYR A 60 14.401 2.894 -11.163 1.00 0.00 C ATOM 950 CE2 TYR A 60 16.616 3.797 -11.094 1.00 0.00 C ATOM 951 CZ TYR A 60 15.577 3.230 -11.802 1.00 0.00 C ATOM 952 OH TYR A 60 15.713 2.996 -13.152 1.00 0.00 O ATOM 0 H TYR A 60 12.961 2.940 -6.919 1.00 0.00 H new ATOM 0 HA TYR A 60 15.642 1.905 -7.206 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.266 4.574 -7.429 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.008 4.536 -7.246 1.00 0.00 H new ATOM 0 HD1 TYR A 60 13.346 2.873 -9.311 1.00 0.00 H new ATOM 0 HD2 TYR A 60 17.289 4.475 -9.189 1.00 0.00 H new ATOM 0 HE1 TYR A 60 13.589 2.447 -11.718 1.00 0.00 H new ATOM 0 HE2 TYR A 60 17.536 4.058 -11.596 1.00 0.00 H new ATOM 0 HH TYR A 60 16.600 3.290 -13.447 1.00 0.00 H new ATOM 962 N TYR A 61 14.852 3.779 -4.595 1.00 0.00 N ATOM 963 CA TYR A 61 15.353 4.278 -3.320 1.00 0.00 C ATOM 964 C TYR A 61 14.808 3.461 -2.156 1.00 0.00 C ATOM 965 O TYR A 61 15.526 3.169 -1.200 1.00 0.00 O ATOM 966 CB TYR A 61 14.987 5.754 -3.142 1.00 0.00 C ATOM 967 CG TYR A 61 15.536 6.656 -4.224 1.00 0.00 C ATOM 968 CD1 TYR A 61 16.859 7.071 -4.201 1.00 0.00 C ATOM 969 CD2 TYR A 61 14.730 7.093 -5.265 1.00 0.00 C ATOM 970 CE1 TYR A 61 17.367 7.896 -5.186 1.00 0.00 C ATOM 971 CE2 TYR A 61 15.226 7.918 -6.256 1.00 0.00 C ATOM 972 CZ TYR A 61 16.547 8.317 -6.213 1.00 0.00 C ATOM 973 OH TYR A 61 17.046 9.139 -7.196 1.00 0.00 O ATOM 0 H TYR A 61 13.928 4.127 -4.850 1.00 0.00 H new ATOM 0 HA TYR A 61 16.439 4.180 -3.327 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.901 5.849 -3.120 1.00 0.00 H new ATOM 0 HB3 TYR A 61 15.357 6.096 -2.175 1.00 0.00 H new ATOM 0 HD1 TYR A 61 17.504 6.743 -3.399 1.00 0.00 H new ATOM 0 HD2 TYR A 61 13.696 6.783 -5.301 1.00 0.00 H new ATOM 0 HE1 TYR A 61 18.400 8.210 -5.152 1.00 0.00 H new ATOM 0 HE2 TYR A 61 14.584 8.249 -7.059 1.00 0.00 H new ATOM 0 HH TYR A 61 16.448 9.906 -7.316 1.00 0.00 H new ATOM 983 N GLY A 62 13.534 3.093 -2.243 1.00 0.00 N ATOM 984 CA GLY A 62 12.912 2.240 -1.238 1.00 0.00 C ATOM 985 C GLY A 62 11.698 2.918 -0.615 1.00 0.00 C ATOM 986 O GLY A 62 11.507 4.126 -0.759 1.00 0.00 O ATOM 0 H GLY A 62 12.911 3.373 -3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.611 1.297 -1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.637 2.001 -0.460 1.00 0.00 H new ATOM 990 N GLU A 63 10.881 2.134 0.080 1.00 0.00 N ATOM 991 CA GLU A 63 9.635 2.637 0.646 1.00 0.00 C ATOM 992 C GLU A 63 9.898 3.738 1.665 1.00 0.00 C ATOM 993 O GLU A 63 9.159 4.721 1.735 1.00 0.00 O ATOM 994 CB GLU A 63 8.843 1.499 1.293 1.00 0.00 C ATOM 995 CG GLU A 63 8.228 0.519 0.305 1.00 0.00 C ATOM 996 CD GLU A 63 7.547 -0.618 1.014 1.00 0.00 C ATOM 997 OE1 GLU A 63 7.616 -0.668 2.219 1.00 0.00 O ATOM 998 OE2 GLU A 63 6.864 -1.374 0.364 1.00 0.00 O ATOM 0 H GLU A 63 11.060 1.147 0.265 1.00 0.00 H new ATOM 0 HA GLU A 63 9.046 3.060 -0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.502 0.951 1.967 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.048 1.927 1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.508 1.040 -0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.004 0.127 -0.353 1.00 0.00 H new ATOM 1005 N GLU A 64 10.952 3.567 2.454 1.00 0.00 N ATOM 1006 CA GLU A 64 11.251 4.486 3.546 1.00 0.00 C ATOM 1007 C GLU A 64 12.123 5.641 3.071 1.00 0.00 C ATOM 1008 O GLU A 64 11.813 6.807 3.315 1.00 0.00 O ATOM 1009 CB GLU A 64 11.936 3.748 4.697 1.00 0.00 C ATOM 1010 CG GLU A 64 12.309 4.632 5.878 1.00 0.00 C ATOM 1011 CD GLU A 64 12.869 3.820 7.013 1.00 0.00 C ATOM 1012 OE1 GLU A 64 12.944 2.623 6.881 1.00 0.00 O ATOM 1013 OE2 GLU A 64 13.325 4.406 7.967 1.00 0.00 O ATOM 0 H GLU A 64 11.616 2.798 2.358 1.00 0.00 H new ATOM 0 HA GLU A 64 10.306 4.897 3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.276 2.954 5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.839 3.268 4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.043 5.374 5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.429 5.178 6.218 1.00 0.00 H new ATOM 1020 N TYR A 65 13.216 5.310 2.392 1.00 0.00 N ATOM 1021 CA TYR A 65 14.220 6.302 2.023 1.00 0.00 C ATOM 1022 C TYR A 65 13.666 7.295 1.010 1.00 0.00 C ATOM 1023 O TYR A 65 13.996 8.481 1.044 1.00 0.00 O ATOM 1024 CB TYR A 65 15.466 5.617 1.459 1.00 0.00 C ATOM 1025 CG TYR A 65 16.659 6.537 1.316 1.00 0.00 C ATOM 1026 CD1 TYR A 65 17.324 7.022 2.433 1.00 0.00 C ATOM 1027 CD2 TYR A 65 17.116 6.917 0.063 1.00 0.00 C ATOM 1028 CE1 TYR A 65 18.413 7.862 2.308 1.00 0.00 C ATOM 1029 CE2 TYR A 65 18.205 7.757 -0.074 1.00 0.00 C ATOM 1030 CZ TYR A 65 18.851 8.228 1.050 1.00 0.00 C ATOM 1031 OH TYR A 65 19.936 9.064 0.919 1.00 0.00 O ATOM 0 H TYR A 65 13.430 4.361 2.085 1.00 0.00 H new ATOM 0 HA TYR A 65 14.494 6.851 2.924 1.00 0.00 H new ATOM 0 HB2 TYR A 65 15.737 4.785 2.109 1.00 0.00 H new ATOM 0 HB3 TYR A 65 15.226 5.194 0.483 1.00 0.00 H new ATOM 0 HD1 TYR A 65 16.984 6.738 3.418 1.00 0.00 H new ATOM 0 HD2 TYR A 65 16.613 6.551 -0.820 1.00 0.00 H new ATOM 0 HE1 TYR A 65 18.919 8.230 3.188 1.00 0.00 H new ATOM 0 HE2 TYR A 65 18.549 8.043 -1.057 1.00 0.00 H new ATOM 0 HH TYR A 65 20.125 9.492 1.780 1.00 0.00 H new ATOM 1041 N ALA A 66 12.821 6.805 0.108 1.00 0.00 N ATOM 1042 CA ALA A 66 12.162 7.662 -0.870 1.00 0.00 C ATOM 1043 C ALA A 66 11.313 8.726 -0.186 1.00 0.00 C ATOM 1044 O ALA A 66 11.268 9.874 -0.626 1.00 0.00 O ATOM 1045 CB ALA A 66 11.311 6.828 -1.817 1.00 0.00 C ATOM 0 H ALA A 66 12.577 5.817 0.035 1.00 0.00 H new ATOM 0 HA ALA A 66 12.934 8.170 -1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.825 7.482 -2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.945 6.113 -2.341 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.553 6.291 -1.247 1.00 0.00 H new ATOM 1051 N VAL A 67 10.641 8.337 0.892 1.00 0.00 N ATOM 1052 CA VAL A 67 9.843 9.271 1.676 1.00 0.00 C ATOM 1053 C VAL A 67 10.724 10.299 2.373 1.00 0.00 C ATOM 1054 O VAL A 67 10.387 11.482 2.430 1.00 0.00 O ATOM 1055 CB VAL A 67 8.992 8.540 2.731 1.00 0.00 C ATOM 1056 CG1 VAL A 67 8.337 9.540 3.672 1.00 0.00 C ATOM 1057 CG2 VAL A 67 7.936 7.675 2.059 1.00 0.00 C ATOM 0 H VAL A 67 10.633 7.379 1.243 1.00 0.00 H new ATOM 0 HA VAL A 67 9.180 9.780 0.977 1.00 0.00 H new ATOM 0 HB VAL A 67 9.648 7.894 3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.739 9.007 4.411 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.107 10.121 4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.694 10.210 3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.344 7.166 2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.284 8.303 1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.422 6.935 1.423 1.00 0.00 H new ATOM 1067 N GLN A 68 11.855 9.842 2.900 1.00 0.00 N ATOM 1068 CA GLN A 68 12.803 10.727 3.566 1.00 0.00 C ATOM 1069 C GLN A 68 13.324 11.793 2.611 1.00 0.00 C ATOM 1070 O GLN A 68 13.579 12.928 3.013 1.00 0.00 O ATOM 1071 CB GLN A 68 13.976 9.925 4.136 1.00 0.00 C ATOM 1072 CG GLN A 68 13.616 9.060 5.332 1.00 0.00 C ATOM 1073 CD GLN A 68 14.801 8.266 5.850 1.00 0.00 C ATOM 1074 OE1 GLN A 68 15.899 8.327 5.289 1.00 0.00 O ATOM 1075 NE2 GLN A 68 14.585 7.513 6.922 1.00 0.00 N ATOM 0 H GLN A 68 12.138 8.862 2.879 1.00 0.00 H new ATOM 0 HA GLN A 68 12.277 11.222 4.383 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.382 9.288 3.350 1.00 0.00 H new ATOM 0 HB3 GLN A 68 14.767 10.616 4.427 1.00 0.00 H new ATOM 0 HG2 GLN A 68 13.229 9.692 6.131 1.00 0.00 H new ATOM 0 HG3 GLN A 68 12.816 8.374 5.053 1.00 0.00 H new ATOM 0 HE21 GLN A 68 13.661 7.493 7.353 1.00 0.00 H new ATOM 0 HE22 GLN A 68 15.343 6.955 7.314 1.00 0.00 H new ATOM 1084 N LEU A 69 13.481 11.421 1.346 1.00 0.00 N ATOM 1085 CA LEU A 69 13.879 12.370 0.312 1.00 0.00 C ATOM 1086 C LEU A 69 12.703 13.236 -0.121 1.00 0.00 C ATOM 1087 O LEU A 69 12.843 14.445 -0.304 1.00 0.00 O ATOM 1088 CB LEU A 69 14.466 11.626 -0.893 1.00 0.00 C ATOM 1089 CG LEU A 69 15.763 10.855 -0.615 1.00 0.00 C ATOM 1090 CD1 LEU A 69 16.195 10.094 -1.863 1.00 0.00 C ATOM 1091 CD2 LEU A 69 16.847 11.826 -0.173 1.00 0.00 C ATOM 0 H LEU A 69 13.339 10.468 1.011 1.00 0.00 H new ATOM 0 HA LEU A 69 14.643 13.025 0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.719 10.926 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.654 12.347 -1.689 1.00 0.00 H new ATOM 0 HG LEU A 69 15.593 10.133 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 69 17.116 9.550 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.414 9.390 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 69 16.364 10.798 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 69 17.768 11.278 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 69 17.022 12.559 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 69 16.528 12.339 0.735 1.00 0.00 H new ATOM 1103 N THR A 70 11.542 12.611 -0.284 1.00 0.00 N ATOM 1104 CA THR A 70 10.369 13.297 -0.812 1.00 0.00 C ATOM 1105 C THR A 70 9.894 14.386 0.142 1.00 0.00 C ATOM 1106 O THR A 70 9.384 15.421 -0.288 1.00 0.00 O ATOM 1107 CB THR A 70 9.210 12.317 -1.073 1.00 0.00 C ATOM 1108 OG1 THR A 70 9.615 11.340 -2.040 1.00 0.00 O ATOM 1109 CG2 THR A 70 7.988 13.061 -1.589 1.00 0.00 C ATOM 0 H THR A 70 11.388 11.628 -0.057 1.00 0.00 H new ATOM 0 HA THR A 70 10.669 13.750 -1.757 1.00 0.00 H new ATOM 0 HB THR A 70 8.953 11.824 -0.135 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.422 10.883 -1.725 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.179 12.352 -1.768 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.670 13.796 -0.849 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.238 13.569 -2.520 1.00 0.00 H new ATOM 1117 N LEU A 71 10.063 14.148 1.437 1.00 0.00 N ATOM 1118 CA LEU A 71 9.716 15.136 2.451 1.00 0.00 C ATOM 1119 C LEU A 71 10.549 16.402 2.293 1.00 0.00 C ATOM 1120 O LEU A 71 10.092 17.500 2.610 1.00 0.00 O ATOM 1121 CB LEU A 71 9.902 14.545 3.854 1.00 0.00 C ATOM 1122 CG LEU A 71 8.866 13.489 4.260 1.00 0.00 C ATOM 1123 CD1 LEU A 71 9.292 12.812 5.556 1.00 0.00 C ATOM 1124 CD2 LEU A 71 7.504 14.146 4.417 1.00 0.00 C ATOM 0 H LEU A 71 10.439 13.277 1.810 1.00 0.00 H new ATOM 0 HA LEU A 71 8.668 15.405 2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.895 14.099 3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.873 15.358 4.580 1.00 0.00 H new ATOM 0 HG LEU A 71 8.799 12.727 3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.551 12.064 5.837 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.259 12.329 5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.372 13.558 6.347 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.769 13.395 4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.558 14.916 5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.208 14.599 3.471 1.00 0.00 H new ATOM 1136 N GLN A 72 11.774 16.240 1.805 1.00 0.00 N ATOM 1137 CA GLN A 72 12.657 17.375 1.561 1.00 0.00 C ATOM 1138 C GLN A 72 12.326 18.058 0.241 1.00 0.00 C ATOM 1139 O GLN A 72 12.445 19.276 0.113 1.00 0.00 O ATOM 1140 CB GLN A 72 14.120 16.924 1.558 1.00 0.00 C ATOM 1141 CG GLN A 72 14.629 16.452 2.908 1.00 0.00 C ATOM 1142 CD GLN A 72 16.070 15.981 2.852 1.00 0.00 C ATOM 1143 OE1 GLN A 72 16.697 15.983 1.788 1.00 0.00 O ATOM 1144 NE2 GLN A 72 16.602 15.568 3.996 1.00 0.00 N ATOM 0 H GLN A 72 12.178 15.333 1.570 1.00 0.00 H new ATOM 0 HA GLN A 72 12.504 18.092 2.367 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.238 16.117 0.835 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.743 17.751 1.216 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.543 17.264 3.630 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.998 15.639 3.267 1.00 0.00 H new ATOM 0 HE21 GLN A 72 16.047 15.584 4.852 1.00 0.00 H new ATOM 0 HE22 GLN A 72 17.566 15.235 4.019 1.00 0.00 H new ATOM 1153 N VAL A 73 11.909 17.265 -0.741 1.00 0.00 N ATOM 1154 CA VAL A 73 11.536 17.795 -2.048 1.00 0.00 C ATOM 1155 C VAL A 73 10.276 18.644 -1.958 1.00 0.00 C ATOM 1156 O VAL A 73 10.209 19.734 -2.526 1.00 0.00 O ATOM 1157 CB VAL A 73 11.312 16.667 -3.072 1.00 0.00 C ATOM 1158 CG1 VAL A 73 10.742 17.228 -4.365 1.00 0.00 C ATOM 1159 CG2 VAL A 73 12.613 15.925 -3.341 1.00 0.00 C ATOM 0 H VAL A 73 11.821 16.252 -0.656 1.00 0.00 H new ATOM 0 HA VAL A 73 12.366 18.417 -2.383 1.00 0.00 H new ATOM 0 HB VAL A 73 10.593 15.961 -2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.590 16.417 -5.078 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.789 17.715 -4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 73 11.438 17.954 -4.785 1.00 0.00 H new ATOM 0 HG21 VAL A 73 12.436 15.131 -4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 73 13.353 16.620 -3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.983 15.491 -2.412 1.00 0.00 H new ATOM 1169 N LEU A 74 9.278 18.139 -1.241 1.00 0.00 N ATOM 1170 CA LEU A 74 8.017 18.851 -1.076 1.00 0.00 C ATOM 1171 C LEU A 74 8.170 20.029 -0.122 1.00 0.00 C ATOM 1172 O LEU A 74 7.303 20.901 -0.051 1.00 0.00 O ATOM 1173 CB LEU A 74 6.929 17.894 -0.571 1.00 0.00 C ATOM 1174 CG LEU A 74 7.074 17.455 0.892 1.00 0.00 C ATOM 1175 CD1 LEU A 74 6.546 18.542 1.818 1.00 0.00 C ATOM 1176 CD2 LEU A 74 6.323 16.150 1.107 1.00 0.00 C ATOM 0 H LEU A 74 9.318 17.238 -0.764 1.00 0.00 H new ATOM 0 HA LEU A 74 7.721 19.243 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.959 18.375 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.928 17.005 -1.202 1.00 0.00 H new ATOM 0 HG LEU A 74 8.127 17.295 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.653 18.221 2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.113 19.460 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.493 18.724 1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.426 15.838 2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.268 16.295 0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.736 15.381 0.455 1.00 0.00 H new ATOM 1188 N ARG A 75 9.277 20.049 0.612 1.00 0.00 N ATOM 1189 CA ARG A 75 9.599 21.173 1.484 1.00 0.00 C ATOM 1190 C ARG A 75 10.045 22.386 0.678 1.00 0.00 C ATOM 1191 O ARG A 75 9.760 23.526 1.045 1.00 0.00 O ATOM 1192 CB ARG A 75 10.625 20.802 2.544 1.00 0.00 C ATOM 1193 CG ARG A 75 10.939 21.903 3.543 1.00 0.00 C ATOM 1194 CD ARG A 75 11.850 21.492 4.642 1.00 0.00 C ATOM 1195 NE ARG A 75 12.156 22.544 5.598 1.00 0.00 N ATOM 1196 CZ ARG A 75 13.020 22.419 6.623 1.00 0.00 C ATOM 1197 NH1 ARG A 75 13.638 21.282 6.853 1.00 0.00 N ATOM 1198 NH2 ARG A 75 13.214 23.465 7.408 1.00 0.00 N ATOM 0 H ARG A 75 9.968 19.298 0.621 1.00 0.00 H new ATOM 0 HA ARG A 75 8.683 21.440 2.012 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.264 19.929 3.088 1.00 0.00 H new ATOM 0 HB3 ARG A 75 11.549 20.508 2.047 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.386 22.743 3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.005 22.261 3.976 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.401 20.654 5.175 1.00 0.00 H new ATOM 0 HD3 ARG A 75 12.782 21.131 4.208 1.00 0.00 H new ATOM 0 HE ARG A 75 11.683 23.440 5.484 1.00 0.00 H new ATOM 0 HH11 ARG A 75 13.466 20.477 6.250 1.00 0.00 H new ATOM 0 HH12 ARG A 75 14.290 21.205 7.634 1.00 0.00 H new ATOM 0 HH21 ARG A 75 12.715 24.336 7.229 1.00 0.00 H new ATOM 0 HH22 ARG A 75 13.863 23.400 8.193 1.00 0.00 H new ATOM 1212 N ALA A 76 10.746 22.134 -0.422 1.00 0.00 N ATOM 1213 CA ALA A 76 11.222 23.205 -1.290 1.00 0.00 C ATOM 1214 C ALA A 76 10.073 23.836 -2.066 1.00 0.00 C ATOM 1215 O ALA A 76 10.124 25.015 -2.418 1.00 0.00 O ATOM 1216 CB ALA A 76 12.285 22.681 -2.244 1.00 0.00 C ATOM 0 H ALA A 76 10.998 21.196 -0.734 1.00 0.00 H new ATOM 0 HA ALA A 76 11.666 23.977 -0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.630 23.492 -2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.125 22.288 -1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.862 21.887 -2.859 1.00 0.00 H new ATOM 1222 N ILE A 77 9.038 23.047 -2.329 1.00 0.00 N ATOM 1223 CA ILE A 77 7.885 23.520 -3.084 1.00 0.00 C ATOM 1224 C ILE A 77 6.662 23.669 -2.188 1.00 0.00 C ATOM 1225 O ILE A 77 5.572 23.995 -2.657 1.00 0.00 O ATOM 1226 CB ILE A 77 7.544 22.573 -4.249 1.00 0.00 C ATOM 1227 CG1 ILE A 77 7.222 21.172 -3.722 1.00 0.00 C ATOM 1228 CG2 ILE A 77 8.692 22.521 -5.245 1.00 0.00 C ATOM 1229 CD1 ILE A 77 6.632 20.249 -4.763 1.00 0.00 C ATOM 0 H ILE A 77 8.974 22.074 -2.029 1.00 0.00 H new ATOM 0 HA ILE A 77 8.155 24.495 -3.489 1.00 0.00 H new ATOM 0 HB ILE A 77 6.663 22.957 -4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.134 20.724 -3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.524 21.259 -2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.435 21.847 -6.062 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.875 23.520 -5.642 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.591 22.159 -4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.431 19.276 -4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.702 20.674 -5.141 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.337 20.130 -5.586 1.00 0.00 H new ATOM 1241 N ASN A 78 6.850 23.426 -0.895 1.00 0.00 N ATOM 1242 CA ASN A 78 5.875 23.832 0.111 1.00 0.00 C ATOM 1243 C ASN A 78 4.524 23.173 -0.137 1.00 0.00 C ATOM 1244 O ASN A 78 3.521 23.854 -0.352 1.00 0.00 O ATOM 1245 CB ASN A 78 5.722 25.340 0.160 1.00 0.00 C ATOM 1246 CG ASN A 78 5.010 25.838 1.387 1.00 0.00 C ATOM 1247 OD1 ASN A 78 4.994 25.176 2.431 1.00 0.00 O ATOM 1248 ND2 ASN A 78 4.351 26.959 1.242 1.00 0.00 N ATOM 0 H ASN A 78 7.670 22.949 -0.519 1.00 0.00 H new ATOM 0 HA ASN A 78 6.251 23.498 1.078 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.710 25.798 0.114 1.00 0.00 H new ATOM 0 HB3 ASN A 78 5.176 25.669 -0.724 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.791 27.324 2.012 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.398 27.467 0.359 1.00 0.00 H new ATOM 1255 N GLN A 79 4.502 21.845 -0.103 1.00 0.00 N ATOM 1256 CA GLN A 79 3.263 21.094 -0.257 1.00 0.00 C ATOM 1257 C GLN A 79 2.941 20.299 1.003 1.00 0.00 C ATOM 1258 O GLN A 79 3.272 19.118 1.104 1.00 0.00 O ATOM 1259 CB GLN A 79 3.354 20.147 -1.456 1.00 0.00 C ATOM 1260 CG GLN A 79 3.614 20.844 -2.781 1.00 0.00 C ATOM 1261 CD GLN A 79 2.533 21.849 -3.128 1.00 0.00 C ATOM 1262 OE1 GLN A 79 1.348 21.509 -3.198 1.00 0.00 O ATOM 1263 NE2 GLN A 79 2.934 23.095 -3.351 1.00 0.00 N ATOM 0 H GLN A 79 5.331 21.266 0.030 1.00 0.00 H new ATOM 0 HA GLN A 79 2.461 21.812 -0.428 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.151 19.425 -1.275 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.424 19.583 -1.531 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.578 21.351 -2.738 1.00 0.00 H new ATOM 0 HG3 GLN A 79 3.681 20.099 -3.573 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.924 23.332 -3.282 1.00 0.00 H new ATOM 0 HE22 GLN A 79 2.252 23.815 -3.591 1.00 0.00 H new ATOM 1272 N ARG A 80 2.292 20.953 1.960 1.00 0.00 N ATOM 1273 CA ARG A 80 1.983 20.329 3.241 1.00 0.00 C ATOM 1274 C ARG A 80 1.031 19.154 3.065 1.00 0.00 C ATOM 1275 O ARG A 80 1.064 18.195 3.837 1.00 0.00 O ATOM 1276 CB ARG A 80 1.450 21.331 4.254 1.00 0.00 C ATOM 1277 CG ARG A 80 2.490 22.287 4.817 1.00 0.00 C ATOM 1278 CD ARG A 80 1.958 23.257 5.807 1.00 0.00 C ATOM 1279 NE ARG A 80 2.960 24.134 6.390 1.00 0.00 N ATOM 1280 CZ ARG A 80 2.700 25.099 7.294 1.00 0.00 C ATOM 1281 NH1 ARG A 80 1.471 25.340 7.693 1.00 0.00 N ATOM 1282 NH2 ARG A 80 3.712 25.815 7.752 1.00 0.00 N ATOM 0 H ARG A 80 1.969 21.917 1.872 1.00 0.00 H new ATOM 0 HA ARG A 80 2.919 19.943 3.644 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.658 21.914 3.784 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.996 20.784 5.080 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.284 21.706 5.286 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.943 22.839 3.993 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.195 23.868 5.324 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.465 22.706 6.608 1.00 0.00 H new ATOM 0 HE ARG A 80 3.928 24.010 6.094 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.696 24.793 7.318 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.292 26.074 8.378 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.659 25.630 7.420 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.546 26.552 8.437 1.00 0.00 H new ATOM 1296 N LEU A 81 0.182 19.233 2.045 1.00 0.00 N ATOM 1297 CA LEU A 81 -0.749 18.154 1.738 1.00 0.00 C ATOM 1298 C LEU A 81 -0.028 16.817 1.636 1.00 0.00 C ATOM 1299 O LEU A 81 -0.400 15.848 2.298 1.00 0.00 O ATOM 1300 CB LEU A 81 -1.499 18.457 0.434 1.00 0.00 C ATOM 1301 CG LEU A 81 -2.429 17.342 -0.058 1.00 0.00 C ATOM 1302 CD1 LEU A 81 -3.538 17.100 0.958 1.00 0.00 C ATOM 1303 CD2 LEU A 81 -3.011 17.723 -1.411 1.00 0.00 C ATOM 0 H LEU A 81 0.120 20.034 1.417 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.469 18.085 2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.088 19.364 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.768 18.669 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.861 16.419 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.193 16.306 0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.100 16.806 1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.116 18.015 1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.672 16.929 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.576 18.650 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.202 17.863 -2.129 1.00 0.00 H new ATOM 1315 N LEU A 82 1.005 16.768 0.801 1.00 0.00 N ATOM 1316 CA LEU A 82 1.769 15.544 0.597 1.00 0.00 C ATOM 1317 C LEU A 82 2.496 15.130 1.870 1.00 0.00 C ATOM 1318 O LEU A 82 2.570 13.945 2.197 1.00 0.00 O ATOM 1319 CB LEU A 82 2.768 15.727 -0.552 1.00 0.00 C ATOM 1320 CG LEU A 82 3.664 14.515 -0.838 1.00 0.00 C ATOM 1321 CD1 LEU A 82 2.810 13.290 -1.130 1.00 0.00 C ATOM 1322 CD2 LEU A 82 4.581 14.827 -2.010 1.00 0.00 C ATOM 0 H LEU A 82 1.332 17.564 0.254 1.00 0.00 H new ATOM 0 HA LEU A 82 1.070 14.749 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.214 15.971 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.404 16.583 -0.327 1.00 0.00 H new ATOM 0 HG LEU A 82 4.276 14.300 0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.456 12.436 -1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.179 13.072 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.182 13.483 -2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.218 13.966 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.981 15.051 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.203 15.688 -1.766 1.00 0.00 H new ATOM 1334 N ALA A 83 3.033 16.113 2.586 1.00 0.00 N ATOM 1335 CA ALA A 83 3.771 15.850 3.815 1.00 0.00 C ATOM 1336 C ALA A 83 2.934 15.045 4.798 1.00 0.00 C ATOM 1337 O ALA A 83 3.421 14.093 5.409 1.00 0.00 O ATOM 1338 CB ALA A 83 4.226 17.158 4.448 1.00 0.00 C ATOM 0 H ALA A 83 2.970 17.100 2.335 1.00 0.00 H new ATOM 0 HA ALA A 83 4.650 15.258 3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.776 16.946 5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.872 17.693 3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.356 17.772 4.680 1.00 0.00 H new ATOM 1344 N GLU A 84 1.671 15.431 4.950 1.00 0.00 N ATOM 1345 CA GLU A 84 0.776 14.773 5.893 1.00 0.00 C ATOM 1346 C GLU A 84 0.516 13.327 5.489 1.00 0.00 C ATOM 1347 O GLU A 84 0.444 12.438 6.338 1.00 0.00 O ATOM 1348 CB GLU A 84 -0.547 15.536 5.999 1.00 0.00 C ATOM 1349 CG GLU A 84 -0.443 16.879 6.707 1.00 0.00 C ATOM 1350 CD GLU A 84 -1.759 17.604 6.697 1.00 0.00 C ATOM 1351 OE1 GLU A 84 -2.686 17.108 6.102 1.00 0.00 O ATOM 1352 OE2 GLU A 84 -1.872 18.597 7.376 1.00 0.00 O ATOM 0 H GLU A 84 1.244 16.198 4.430 1.00 0.00 H new ATOM 0 HA GLU A 84 1.263 14.772 6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.941 15.698 4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.269 14.915 6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.117 16.726 7.736 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.316 17.491 6.220 1.00 0.00 H new ATOM 1359 N GLU A 85 0.375 13.098 4.188 1.00 0.00 N ATOM 1360 CA GLU A 85 0.124 11.760 3.668 1.00 0.00 C ATOM 1361 C GLU A 85 1.360 10.878 3.796 1.00 0.00 C ATOM 1362 O GLU A 85 1.254 9.672 4.018 1.00 0.00 O ATOM 1363 CB GLU A 85 -0.326 11.827 2.207 1.00 0.00 C ATOM 1364 CG GLU A 85 -1.738 12.357 2.008 1.00 0.00 C ATOM 1365 CD GLU A 85 -2.753 11.471 2.675 1.00 0.00 C ATOM 1366 OE1 GLU A 85 -2.805 10.310 2.349 1.00 0.00 O ATOM 1367 OE2 GLU A 85 -3.400 11.926 3.589 1.00 0.00 O ATOM 0 H GLU A 85 0.431 13.824 3.473 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.674 11.316 4.263 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.368 12.460 1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.261 10.829 1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.810 13.366 2.414 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.956 12.425 0.942 1.00 0.00 H new ATOM 1374 N LEU A 86 2.532 11.487 3.653 1.00 0.00 N ATOM 1375 CA LEU A 86 3.792 10.770 3.805 1.00 0.00 C ATOM 1376 C LEU A 86 4.099 10.499 5.272 1.00 0.00 C ATOM 1377 O LEU A 86 4.803 9.545 5.602 1.00 0.00 O ATOM 1378 CB LEU A 86 4.934 11.563 3.159 1.00 0.00 C ATOM 1379 CG LEU A 86 4.863 11.685 1.631 1.00 0.00 C ATOM 1380 CD1 LEU A 86 6.019 12.533 1.120 1.00 0.00 C ATOM 1381 CD2 LEU A 86 4.895 10.298 1.009 1.00 0.00 C ATOM 0 H LEU A 86 2.635 12.477 3.432 1.00 0.00 H new ATOM 0 HA LEU A 86 3.697 9.809 3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.946 12.565 3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.879 11.091 3.426 1.00 0.00 H new ATOM 0 HG LEU A 86 3.931 12.175 1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.959 12.613 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.963 13.528 1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.964 12.066 1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.845 10.385 -0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.820 9.794 1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.043 9.719 1.367 1.00 0.00 H new ATOM 1393 N HIS A 87 3.566 11.343 6.149 1.00 0.00 N ATOM 1394 CA HIS A 87 3.618 11.092 7.584 1.00 0.00 C ATOM 1395 C HIS A 87 2.719 9.925 7.973 1.00 0.00 C ATOM 1396 O HIS A 87 3.051 9.143 8.862 1.00 0.00 O ATOM 1397 CB HIS A 87 3.218 12.346 8.367 1.00 0.00 C ATOM 1398 CG HIS A 87 4.213 13.460 8.270 1.00 0.00 C ATOM 1399 ND1 HIS A 87 3.917 14.756 8.638 1.00 0.00 N ATOM 1400 CD2 HIS A 87 5.499 13.473 7.848 1.00 0.00 C ATOM 1401 CE1 HIS A 87 4.981 15.518 8.445 1.00 0.00 C ATOM 1402 NE2 HIS A 87 5.952 14.763 7.966 1.00 0.00 N ATOM 0 H HIS A 87 3.092 12.208 5.890 1.00 0.00 H new ATOM 0 HA HIS A 87 4.646 10.831 7.836 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.254 12.699 8.002 1.00 0.00 H new ATOM 0 HB3 HIS A 87 3.084 12.081 9.416 1.00 0.00 H new ATOM 0 HD2 HIS A 87 6.063 12.626 7.486 1.00 0.00 H new ATOM 0 HE1 HIS A 87 5.044 16.577 8.645 1.00 0.00 H new ATOM 0 HE2 HIS A 87 6.888 15.086 7.723 1.00 0.00 H new ATOM 1410 N ARG A 88 1.579 9.815 7.300 1.00 0.00 N ATOM 1411 CA ARG A 88 0.712 8.651 7.448 1.00 0.00 C ATOM 1412 C ARG A 88 1.388 7.390 6.926 1.00 0.00 C ATOM 1413 O ARG A 88 1.249 6.314 7.506 1.00 0.00 O ATOM 1414 CB ARG A 88 -0.648 8.863 6.799 1.00 0.00 C ATOM 1415 CG ARG A 88 -1.575 9.805 7.550 1.00 0.00 C ATOM 1416 CD ARG A 88 -2.800 10.184 6.801 1.00 0.00 C ATOM 1417 NE ARG A 88 -3.816 10.849 7.603 1.00 0.00 N ATOM 1418 CZ ARG A 88 -4.850 11.549 7.100 1.00 0.00 C ATOM 1419 NH1 ARG A 88 -4.992 11.713 5.804 1.00 0.00 N ATOM 1420 NH2 ARG A 88 -5.709 12.090 7.947 1.00 0.00 N ATOM 0 H ARG A 88 1.233 10.518 6.646 1.00 0.00 H new ATOM 0 HA ARG A 88 0.535 8.517 8.515 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.497 9.251 5.792 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.141 7.896 6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.868 9.335 8.489 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.025 10.711 7.805 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.519 10.840 5.977 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.233 9.286 6.360 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.739 10.780 8.618 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.312 11.307 5.161 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.782 12.247 5.441 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.578 11.971 8.952 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -6.503 12.626 7.596 1.00 0.00 H new ATOM 1434 N ALA A 89 2.122 7.530 5.827 1.00 0.00 N ATOM 1435 CA ALA A 89 2.930 6.437 5.301 1.00 0.00 C ATOM 1436 C ALA A 89 4.047 6.063 6.267 1.00 0.00 C ATOM 1437 O ALA A 89 4.358 4.885 6.445 1.00 0.00 O ATOM 1438 CB ALA A 89 3.502 6.808 3.941 1.00 0.00 C ATOM 0 H ALA A 89 2.174 8.391 5.283 1.00 0.00 H new ATOM 0 HA ALA A 89 2.285 5.567 5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.103 5.982 3.561 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.687 7.013 3.247 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.127 7.696 4.039 1.00 0.00 H new ATOM 1444 N ALA A 90 4.647 7.072 6.887 1.00 0.00 N ATOM 1445 CA ALA A 90 5.729 6.851 7.839 1.00 0.00 C ATOM 1446 C ALA A 90 5.236 6.097 9.068 1.00 0.00 C ATOM 1447 O ALA A 90 5.962 5.284 9.642 1.00 0.00 O ATOM 1448 CB ALA A 90 6.358 8.176 8.245 1.00 0.00 C ATOM 0 H ALA A 90 4.402 8.052 6.747 1.00 0.00 H new ATOM 0 HA ALA A 90 6.487 6.238 7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.164 7.994 8.956 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.759 8.674 7.362 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.602 8.811 8.708 1.00 0.00 H new ATOM 1454 N ILE A 91 3.999 6.370 9.468 1.00 0.00 N ATOM 1455 CA ILE A 91 3.367 5.639 10.559 1.00 0.00 C ATOM 1456 C ILE A 91 3.182 4.170 10.203 1.00 0.00 C ATOM 1457 O ILE A 91 3.425 3.287 11.026 1.00 0.00 O ATOM 1458 CB ILE A 91 2.000 6.245 10.927 1.00 0.00 C ATOM 1459 CG1 ILE A 91 2.181 7.624 11.564 1.00 0.00 C ATOM 1460 CG2 ILE A 91 1.243 5.317 11.865 1.00 0.00 C ATOM 1461 CD1 ILE A 91 0.899 8.418 11.679 1.00 0.00 C ATOM 0 H ILE A 91 3.413 7.094 9.052 1.00 0.00 H new ATOM 0 HA ILE A 91 4.032 5.719 11.419 1.00 0.00 H new ATOM 0 HB ILE A 91 1.416 6.362 10.014 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.611 7.501 12.558 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.899 8.194 10.975 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.279 5.760 12.115 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.085 4.356 11.376 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.822 5.169 12.776 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.109 9.383 12.140 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.477 8.574 10.686 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.185 7.870 12.294 1.00 0.00 H new ATOM 1473 N GLN A 92 2.752 3.914 8.973 1.00 0.00 N ATOM 1474 CA GLN A 92 2.552 2.549 8.500 1.00 0.00 C ATOM 1475 C GLN A 92 3.880 1.818 8.349 1.00 0.00 C ATOM 1476 O GLN A 92 3.968 0.614 8.592 1.00 0.00 O ATOM 1477 CB GLN A 92 1.808 2.549 7.162 1.00 0.00 C ATOM 1478 CG GLN A 92 0.363 3.010 7.254 1.00 0.00 C ATOM 1479 CD GLN A 92 -0.294 3.132 5.893 1.00 0.00 C ATOM 1480 OE1 GLN A 92 0.107 2.467 4.933 1.00 0.00 O ATOM 1481 NE2 GLN A 92 -1.306 3.987 5.798 1.00 0.00 N ATOM 0 H GLN A 92 2.535 4.634 8.284 1.00 0.00 H new ATOM 0 HA GLN A 92 1.952 2.026 9.244 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.340 3.194 6.463 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.831 1.542 6.746 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.202 2.306 7.865 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.324 3.974 7.761 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.605 4.516 6.617 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.784 4.114 4.906 1.00 0.00 H new ATOM 1490 N LEU A 93 4.911 2.553 7.946 1.00 0.00 N ATOM 1491 CA LEU A 93 6.250 1.989 7.815 1.00 0.00 C ATOM 1492 C LEU A 93 6.803 1.564 9.169 1.00 0.00 C ATOM 1493 O LEU A 93 6.463 0.521 9.656 1.00 0.00 O ATOM 1494 CB LEU A 93 7.188 3.002 7.149 1.00 0.00 C ATOM 1495 CG LEU A 93 6.945 3.232 5.652 1.00 0.00 C ATOM 1496 CD1 LEU A 93 7.797 4.393 5.157 1.00 0.00 C ATOM 1497 CD2 LEU A 93 7.269 1.959 4.883 1.00 0.00 C ATOM 0 H LEU A 93 4.845 3.542 7.704 1.00 0.00 H new ATOM 0 HA LEU A 93 6.184 1.101 7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.093 3.956 7.667 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.216 2.666 7.286 1.00 0.00 H new ATOM 0 HG LEU A 93 5.897 3.484 5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.617 4.548 4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.534 5.297 5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.851 4.165 5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.096 2.123 3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.314 1.692 5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.630 1.149 5.234 1.00 0.00 H new