USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 751 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 64 SER OG : rot -24:sc= 1.07 USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 10 GLN : amide:sc= -1.64! C(o=-0.99!,f=-28!) USER MOD Set 2.2: A 78 LYS NZ :NH3+ 172:sc= 0.657 (180deg=0.204) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0536 USER MOD Single : A 9 SER OG : rot 15:sc= 0.0274 USER MOD Single : A 16 THR OG1 : rot 80:sc= -1.45! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -119:sc= 0.175 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot -130:sc= -0.889 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=0.63) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.275 K(o=-0.27,f=-2.7!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 2:sc= 0.195 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 89 ASN : amide:sc= -0.385 X(o=-0.38,f=-0.15) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.492 -18.614 -1.548 1.00 0.00 N ATOM 2 CA MET A 1 10.174 -17.403 -0.748 1.00 0.00 C ATOM 3 C MET A 1 10.959 -16.193 -1.245 1.00 0.00 C ATOM 4 O MET A 1 12.174 -16.116 -1.068 1.00 0.00 O ATOM 5 CB MET A 1 10.513 -17.685 0.717 1.00 0.00 C ATOM 6 CG MET A 1 9.328 -18.173 1.533 1.00 0.00 C ATOM 7 SD MET A 1 9.492 -19.895 2.036 1.00 0.00 S ATOM 8 CE MET A 1 9.505 -19.727 3.819 1.00 0.00 C ATOM 0 H1 MET A 1 9.944 -19.421 -1.188 1.00 0.00 H new ATOM 0 H2 MET A 1 10.247 -18.446 -2.545 1.00 0.00 H new ATOM 0 H3 MET A 1 11.508 -18.823 -1.472 1.00 0.00 H new ATOM 0 HA MET A 1 9.114 -17.173 -0.852 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.306 -18.432 0.760 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.907 -16.776 1.172 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.221 -17.548 2.420 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.416 -18.055 0.948 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.601 -20.712 4.277 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.347 -19.103 4.120 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.575 -19.264 4.148 1.00 0.00 H new ATOM 18 N LEU A 2 10.258 -15.255 -1.875 1.00 0.00 N ATOM 19 CA LEU A 2 10.895 -14.053 -2.403 1.00 0.00 C ATOM 20 C LEU A 2 10.073 -12.809 -2.084 1.00 0.00 C ATOM 21 O LEU A 2 8.849 -12.807 -2.221 1.00 0.00 O ATOM 22 CB LEU A 2 11.086 -14.178 -3.916 1.00 0.00 C ATOM 23 CG LEU A 2 11.545 -15.554 -4.397 1.00 0.00 C ATOM 24 CD1 LEU A 2 10.719 -16.008 -5.591 1.00 0.00 C ATOM 25 CD2 LEU A 2 13.023 -15.528 -4.750 1.00 0.00 C ATOM 0 H LEU A 2 9.251 -15.304 -2.032 1.00 0.00 H new ATOM 0 HA LEU A 2 11.869 -13.950 -1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 2 10.144 -13.933 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 2 11.816 -13.435 -4.238 1.00 0.00 H new ATOM 0 HG LEU A 2 11.396 -16.268 -3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.062 -16.990 -5.918 1.00 0.00 H new ATOM 0 HD12 LEU A 2 9.669 -16.067 -5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 2 10.834 -15.293 -6.406 1.00 0.00 H new ATOM 0 HD21 LEU A 2 13.333 -16.516 -5.091 1.00 0.00 H new ATOM 0 HD22 LEU A 2 13.195 -14.800 -5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 2 13.602 -15.249 -3.870 1.00 0.00 H new ATOM 37 N THR A 3 10.755 -11.749 -1.657 1.00 0.00 N ATOM 38 CA THR A 3 10.092 -10.496 -1.319 1.00 0.00 C ATOM 39 C THR A 3 9.485 -9.843 -2.556 1.00 0.00 C ATOM 40 O THR A 3 10.195 -9.503 -3.502 1.00 0.00 O ATOM 41 CB THR A 3 11.069 -9.503 -0.659 1.00 0.00 C ATOM 42 OG1 THR A 3 12.172 -10.181 -0.047 1.00 0.00 O ATOM 43 CG2 THR A 3 10.363 -8.674 0.404 1.00 0.00 C ATOM 0 H THR A 3 11.768 -11.735 -1.537 1.00 0.00 H new ATOM 0 HA THR A 3 9.299 -10.740 -0.613 1.00 0.00 H new ATOM 0 HB THR A 3 11.441 -8.853 -1.451 1.00 0.00 H new ATOM 0 HG1 THR A 3 12.774 -9.524 0.361 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.073 -7.981 0.856 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.549 -8.113 -0.054 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.961 -9.334 1.173 1.00 0.00 H new ATOM 51 N PRO A 4 8.156 -9.656 -2.562 1.00 0.00 N ATOM 52 CA PRO A 4 7.450 -9.037 -3.686 1.00 0.00 C ATOM 53 C PRO A 4 8.015 -7.665 -4.034 1.00 0.00 C ATOM 54 O PRO A 4 8.312 -6.862 -3.148 1.00 0.00 O ATOM 55 CB PRO A 4 6.000 -8.912 -3.193 1.00 0.00 C ATOM 56 CG PRO A 4 6.059 -9.135 -1.718 1.00 0.00 C ATOM 57 CD PRO A 4 7.241 -10.026 -1.476 1.00 0.00 C ATOM 0 HA PRO A 4 7.546 -9.629 -4.596 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.590 -7.929 -3.425 1.00 0.00 H new ATOM 0 HB3 PRO A 4 5.357 -9.648 -3.676 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.168 -8.190 -1.186 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.141 -9.600 -1.358 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.685 -9.851 -0.496 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.968 -11.080 -1.519 1.00 0.00 H new ATOM 65 N ALA A 5 8.167 -7.404 -5.329 1.00 0.00 N ATOM 66 CA ALA A 5 8.703 -6.131 -5.796 1.00 0.00 C ATOM 67 C ALA A 5 7.639 -5.040 -5.762 1.00 0.00 C ATOM 68 O ALA A 5 7.212 -4.543 -6.805 1.00 0.00 O ATOM 69 CB ALA A 5 9.271 -6.265 -7.200 1.00 0.00 C ATOM 0 H ALA A 5 7.926 -8.058 -6.074 1.00 0.00 H new ATOM 0 HA ALA A 5 9.509 -5.845 -5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.665 -5.303 -7.527 1.00 0.00 H new ATOM 0 HB2 ALA A 5 10.073 -7.004 -7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.483 -6.585 -7.882 1.00 0.00 H new ATOM 75 N PHE A 6 7.217 -4.666 -4.558 1.00 0.00 N ATOM 76 CA PHE A 6 6.207 -3.633 -4.393 1.00 0.00 C ATOM 77 C PHE A 6 6.784 -2.258 -4.713 1.00 0.00 C ATOM 78 O PHE A 6 8.000 -2.067 -4.698 1.00 0.00 O ATOM 79 CB PHE A 6 5.660 -3.658 -2.966 1.00 0.00 C ATOM 80 CG PHE A 6 6.610 -3.106 -1.942 1.00 0.00 C ATOM 81 CD1 PHE A 6 6.611 -1.756 -1.634 1.00 0.00 C ATOM 82 CD2 PHE A 6 7.502 -3.939 -1.288 1.00 0.00 C ATOM 83 CE1 PHE A 6 7.484 -1.247 -0.692 1.00 0.00 C ATOM 84 CE2 PHE A 6 8.378 -3.437 -0.345 1.00 0.00 C ATOM 85 CZ PHE A 6 8.369 -2.089 -0.047 1.00 0.00 C ATOM 0 H PHE A 6 7.560 -5.064 -3.684 1.00 0.00 H new ATOM 0 HA PHE A 6 5.392 -3.832 -5.089 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.732 -3.087 -2.933 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.411 -4.685 -2.700 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.921 -1.093 -2.136 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.513 -4.994 -1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.475 -0.192 -0.460 1.00 0.00 H new ATOM 0 HE2 PHE A 6 9.068 -4.098 0.158 1.00 0.00 H new ATOM 0 HZ PHE A 6 9.053 -1.693 0.689 1.00 0.00 H new ATOM 95 N ASP A 7 5.905 -1.304 -5.001 1.00 0.00 N ATOM 96 CA ASP A 7 6.333 0.053 -5.328 1.00 0.00 C ATOM 97 C ASP A 7 5.292 1.072 -4.877 1.00 0.00 C ATOM 98 O ASP A 7 4.099 0.774 -4.834 1.00 0.00 O ATOM 99 CB ASP A 7 6.579 0.187 -6.832 1.00 0.00 C ATOM 100 CG ASP A 7 8.035 0.456 -7.160 1.00 0.00 C ATOM 101 OD1 ASP A 7 8.688 1.199 -6.398 1.00 0.00 O ATOM 102 OD2 ASP A 7 8.523 -0.076 -8.180 1.00 0.00 O ATOM 0 H ASP A 7 4.895 -1.444 -5.015 1.00 0.00 H new ATOM 0 HA ASP A 7 7.265 0.252 -4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.260 -0.728 -7.332 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.965 0.997 -7.227 1.00 0.00 H new ATOM 107 N LEU A 8 5.747 2.272 -4.529 1.00 0.00 N ATOM 108 CA LEU A 8 4.843 3.317 -4.070 1.00 0.00 C ATOM 109 C LEU A 8 4.819 4.504 -5.030 1.00 0.00 C ATOM 110 O LEU A 8 5.862 4.984 -5.475 1.00 0.00 O ATOM 111 CB LEU A 8 5.248 3.789 -2.673 1.00 0.00 C ATOM 112 CG LEU A 8 5.852 2.707 -1.776 1.00 0.00 C ATOM 113 CD1 LEU A 8 6.777 3.328 -0.741 1.00 0.00 C ATOM 114 CD2 LEU A 8 4.752 1.904 -1.098 1.00 0.00 C ATOM 0 H LEU A 8 6.730 2.542 -4.556 1.00 0.00 H new ATOM 0 HA LEU A 8 3.840 2.892 -4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.969 4.600 -2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.370 4.203 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 8 6.439 2.030 -2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.198 2.544 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.583 3.860 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.214 4.027 -0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.199 1.138 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.139 2.568 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.129 1.429 -1.856 1.00 0.00 H new ATOM 126 N SER A 9 3.615 4.979 -5.327 1.00 0.00 N ATOM 127 CA SER A 9 3.424 6.120 -6.215 1.00 0.00 C ATOM 128 C SER A 9 2.269 6.971 -5.707 1.00 0.00 C ATOM 129 O SER A 9 1.224 6.445 -5.334 1.00 0.00 O ATOM 130 CB SER A 9 3.150 5.651 -7.645 1.00 0.00 C ATOM 131 OG SER A 9 4.350 5.272 -8.296 1.00 0.00 O ATOM 0 H SER A 9 2.748 4.587 -4.961 1.00 0.00 H new ATOM 0 HA SER A 9 4.335 6.718 -6.224 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.460 4.808 -7.628 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.665 6.449 -8.206 1.00 0.00 H new ATOM 0 HG SER A 9 5.064 5.170 -7.633 1.00 0.00 H new ATOM 137 N GLN A 10 2.463 8.282 -5.669 1.00 0.00 N ATOM 138 CA GLN A 10 1.423 9.170 -5.170 1.00 0.00 C ATOM 139 C GLN A 10 1.176 10.360 -6.089 1.00 0.00 C ATOM 140 O GLN A 10 2.100 10.905 -6.692 1.00 0.00 O ATOM 141 CB GLN A 10 1.793 9.666 -3.772 1.00 0.00 C ATOM 142 CG GLN A 10 2.665 10.911 -3.776 1.00 0.00 C ATOM 143 CD GLN A 10 3.626 10.954 -2.603 1.00 0.00 C ATOM 144 OE1 GLN A 10 3.214 11.123 -1.455 1.00 0.00 O ATOM 145 NE2 GLN A 10 4.914 10.804 -2.886 1.00 0.00 N ATOM 0 H GLN A 10 3.318 8.749 -5.973 1.00 0.00 H new ATOM 0 HA GLN A 10 0.499 8.593 -5.133 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.879 9.875 -3.217 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.314 8.870 -3.240 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.231 10.950 -4.706 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.029 11.796 -3.752 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.211 10.666 -3.852 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.607 10.826 -2.138 1.00 0.00 H new ATOM 154 N ASP A 11 -0.087 10.766 -6.162 1.00 0.00 N ATOM 155 CA ASP A 11 -0.492 11.904 -6.970 1.00 0.00 C ATOM 156 C ASP A 11 -0.680 13.128 -6.078 1.00 0.00 C ATOM 157 O ASP A 11 -0.838 13.002 -4.865 1.00 0.00 O ATOM 158 CB ASP A 11 -1.790 11.592 -7.720 1.00 0.00 C ATOM 159 CG ASP A 11 -1.553 11.299 -9.189 1.00 0.00 C ATOM 160 OD1 ASP A 11 -0.783 12.046 -9.827 1.00 0.00 O ATOM 161 OD2 ASP A 11 -2.137 10.320 -9.701 1.00 0.00 O ATOM 0 H ASP A 11 -0.854 10.315 -5.663 1.00 0.00 H new ATOM 0 HA ASP A 11 0.288 12.112 -7.703 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.278 10.735 -7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.473 12.437 -7.626 1.00 0.00 H new ATOM 166 N PRO A 12 -0.646 14.330 -6.665 1.00 0.00 N ATOM 167 CA PRO A 12 -0.798 15.585 -5.917 1.00 0.00 C ATOM 168 C PRO A 12 -2.102 15.669 -5.119 1.00 0.00 C ATOM 169 O PRO A 12 -2.282 16.587 -4.319 1.00 0.00 O ATOM 170 CB PRO A 12 -0.765 16.668 -7.004 1.00 0.00 C ATOM 171 CG PRO A 12 -0.995 15.949 -8.292 1.00 0.00 C ATOM 172 CD PRO A 12 -0.444 14.566 -8.099 1.00 0.00 C ATOM 0 HA PRO A 12 -0.014 15.686 -5.166 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.535 17.420 -6.832 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.193 17.188 -7.011 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.057 15.915 -8.536 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.495 16.457 -9.117 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.972 13.832 -8.708 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.609 14.509 -8.373 1.00 0.00 H new ATOM 180 N ASP A 13 -3.004 14.709 -5.315 1.00 0.00 N ATOM 181 CA ASP A 13 -4.270 14.691 -4.583 1.00 0.00 C ATOM 182 C ASP A 13 -4.588 13.286 -4.086 1.00 0.00 C ATOM 183 O ASP A 13 -5.726 12.995 -3.720 1.00 0.00 O ATOM 184 CB ASP A 13 -5.414 15.177 -5.470 1.00 0.00 C ATOM 185 CG ASP A 13 -5.201 16.592 -5.971 1.00 0.00 C ATOM 186 OD1 ASP A 13 -4.332 17.296 -5.414 1.00 0.00 O ATOM 187 OD2 ASP A 13 -5.904 16.998 -6.921 1.00 0.00 O ATOM 0 H ASP A 13 -2.883 13.937 -5.971 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.166 15.360 -3.729 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.519 14.505 -6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.348 15.130 -4.910 1.00 0.00 H new ATOM 192 N PHE A 14 -3.574 12.426 -4.065 1.00 0.00 N ATOM 193 CA PHE A 14 -3.749 11.048 -3.609 1.00 0.00 C ATOM 194 C PHE A 14 -2.414 10.333 -3.430 1.00 0.00 C ATOM 195 O PHE A 14 -1.364 10.823 -3.842 1.00 0.00 O ATOM 196 CB PHE A 14 -4.587 10.236 -4.611 1.00 0.00 C ATOM 197 CG PHE A 14 -5.825 10.919 -5.118 1.00 0.00 C ATOM 198 CD1 PHE A 14 -5.756 11.824 -6.165 1.00 0.00 C ATOM 199 CD2 PHE A 14 -7.063 10.646 -4.555 1.00 0.00 C ATOM 200 CE1 PHE A 14 -6.897 12.446 -6.639 1.00 0.00 C ATOM 201 CE2 PHE A 14 -8.206 11.262 -5.026 1.00 0.00 C ATOM 202 CZ PHE A 14 -8.124 12.163 -6.069 1.00 0.00 C ATOM 0 H PHE A 14 -2.624 12.657 -4.357 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.260 11.110 -2.648 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.957 9.982 -5.464 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.878 9.297 -4.139 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.800 12.046 -6.616 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.134 9.943 -3.738 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.829 13.152 -7.454 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.163 11.039 -4.579 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.017 12.646 -6.439 1.00 0.00 H new ATOM 212 N LEU A 15 -2.487 9.150 -2.830 1.00 0.00 N ATOM 213 CA LEU A 15 -1.321 8.306 -2.603 1.00 0.00 C ATOM 214 C LEU A 15 -1.671 6.873 -2.966 1.00 0.00 C ATOM 215 O LEU A 15 -2.435 6.220 -2.255 1.00 0.00 O ATOM 216 CB LEU A 15 -0.870 8.368 -1.140 1.00 0.00 C ATOM 217 CG LEU A 15 0.127 7.286 -0.718 1.00 0.00 C ATOM 218 CD1 LEU A 15 -0.591 5.978 -0.418 1.00 0.00 C ATOM 219 CD2 LEU A 15 1.182 7.080 -1.795 1.00 0.00 C ATOM 0 H LEU A 15 -3.360 8.749 -2.487 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.502 8.666 -3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.421 9.344 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.751 8.297 -0.502 1.00 0.00 H new ATOM 0 HG LEU A 15 0.625 7.619 0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.137 5.223 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.305 6.132 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.120 5.640 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.881 6.307 -1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.700 6.773 -2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.722 8.013 -1.959 1.00 0.00 H new ATOM 231 N THR A 16 -1.131 6.376 -4.073 1.00 0.00 N ATOM 232 CA THR A 16 -1.418 5.018 -4.503 1.00 0.00 C ATOM 233 C THR A 16 -0.276 4.080 -4.142 1.00 0.00 C ATOM 234 O THR A 16 0.896 4.451 -4.201 1.00 0.00 O ATOM 235 CB THR A 16 -1.661 4.954 -6.023 1.00 0.00 C ATOM 236 OG1 THR A 16 -2.735 5.818 -6.416 1.00 0.00 O ATOM 237 CG2 THR A 16 -2.000 3.537 -6.460 1.00 0.00 C ATOM 0 H THR A 16 -0.497 6.891 -4.684 1.00 0.00 H new ATOM 0 HA THR A 16 -2.323 4.702 -3.984 1.00 0.00 H new ATOM 0 HB THR A 16 -0.739 5.279 -6.504 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.408 6.740 -6.475 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.167 3.519 -7.537 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.174 2.872 -6.209 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.902 3.204 -5.947 1.00 0.00 H new ATOM 245 N ILE A 17 -0.628 2.860 -3.769 1.00 0.00 N ATOM 246 CA ILE A 17 0.360 1.862 -3.399 1.00 0.00 C ATOM 247 C ILE A 17 0.322 0.690 -4.369 1.00 0.00 C ATOM 248 O ILE A 17 -0.704 0.434 -5.000 1.00 0.00 O ATOM 249 CB ILE A 17 0.135 1.368 -1.959 1.00 0.00 C ATOM 250 CG1 ILE A 17 -0.114 2.565 -1.035 1.00 0.00 C ATOM 251 CG2 ILE A 17 1.331 0.556 -1.485 1.00 0.00 C ATOM 252 CD1 ILE A 17 -0.139 2.209 0.433 1.00 0.00 C ATOM 0 H ILE A 17 -1.594 2.537 -3.715 1.00 0.00 H new ATOM 0 HA ILE A 17 1.344 2.329 -3.449 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.742 0.721 -1.935 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.663 3.311 -1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.064 3.027 -1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.157 0.214 -0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.468 -0.305 -2.139 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.226 1.177 -1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.320 3.108 1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.934 1.487 0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.819 1.775 0.718 1.00 0.00 H new ATOM 264 N ALA A 18 1.439 -0.021 -4.487 1.00 0.00 N ATOM 265 CA ALA A 18 1.523 -1.166 -5.388 1.00 0.00 C ATOM 266 C ALA A 18 1.995 -2.410 -4.649 1.00 0.00 C ATOM 267 O ALA A 18 3.085 -2.431 -4.074 1.00 0.00 O ATOM 268 CB ALA A 18 2.441 -0.874 -6.566 1.00 0.00 C ATOM 0 H ALA A 18 2.297 0.175 -3.971 1.00 0.00 H new ATOM 0 HA ALA A 18 0.520 -1.352 -5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.483 -1.746 -7.219 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.056 -0.020 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.442 -0.646 -6.200 1.00 0.00 H new ATOM 274 N ILE A 19 1.167 -3.451 -4.685 1.00 0.00 N ATOM 275 CA ILE A 19 1.482 -4.715 -4.035 1.00 0.00 C ATOM 276 C ILE A 19 1.402 -5.859 -5.039 1.00 0.00 C ATOM 277 O ILE A 19 0.346 -6.109 -5.620 1.00 0.00 O ATOM 278 CB ILE A 19 0.518 -5.003 -2.869 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.426 -3.792 -1.939 1.00 0.00 C ATOM 280 CG2 ILE A 19 0.967 -6.236 -2.100 1.00 0.00 C ATOM 281 CD1 ILE A 19 -0.862 -3.735 -1.146 1.00 0.00 C ATOM 0 H ILE A 19 0.266 -3.440 -5.163 1.00 0.00 H new ATOM 0 HA ILE A 19 2.495 -4.636 -3.641 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.473 -5.196 -3.279 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.268 -3.810 -1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.519 -2.882 -2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.275 -6.425 -1.280 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.981 -7.097 -2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.967 -6.071 -1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.858 -2.851 -0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.709 -3.685 -1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.948 -4.628 -0.527 1.00 0.00 H new ATOM 293 N ARG A 20 2.521 -6.543 -5.254 1.00 0.00 N ATOM 294 CA ARG A 20 2.555 -7.644 -6.209 1.00 0.00 C ATOM 295 C ARG A 20 2.168 -8.971 -5.565 1.00 0.00 C ATOM 296 O ARG A 20 2.828 -9.449 -4.642 1.00 0.00 O ATOM 297 CB ARG A 20 3.946 -7.760 -6.832 1.00 0.00 C ATOM 298 CG ARG A 20 4.009 -8.740 -7.991 1.00 0.00 C ATOM 299 CD ARG A 20 5.331 -9.490 -8.013 1.00 0.00 C ATOM 300 NE ARG A 20 6.295 -8.873 -8.918 1.00 0.00 N ATOM 301 CZ ARG A 20 7.275 -9.540 -9.517 1.00 0.00 C ATOM 302 NH1 ARG A 20 7.418 -10.842 -9.308 1.00 0.00 N ATOM 303 NH2 ARG A 20 8.113 -8.909 -10.327 1.00 0.00 N ATOM 0 H ARG A 20 3.408 -6.357 -4.785 1.00 0.00 H new ATOM 0 HA ARG A 20 1.822 -7.423 -6.985 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.263 -6.777 -7.180 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.655 -8.071 -6.064 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.187 -9.451 -7.913 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.878 -8.203 -8.931 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.747 -9.520 -7.006 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.157 -10.522 -8.317 1.00 0.00 H new ATOM 0 HE ARG A 20 6.212 -7.873 -9.101 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.775 -11.332 -8.687 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.171 -11.353 -9.769 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.006 -7.908 -10.492 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.865 -9.424 -10.785 1.00 0.00 H new ATOM 317 N VAL A 21 1.092 -9.560 -6.075 1.00 0.00 N ATOM 318 CA VAL A 21 0.597 -10.838 -5.578 1.00 0.00 C ATOM 319 C VAL A 21 0.105 -11.699 -6.736 1.00 0.00 C ATOM 320 O VAL A 21 -0.874 -11.361 -7.401 1.00 0.00 O ATOM 321 CB VAL A 21 -0.545 -10.646 -4.563 1.00 0.00 C ATOM 322 CG1 VAL A 21 -0.066 -9.832 -3.372 1.00 0.00 C ATOM 323 CG2 VAL A 21 -1.744 -9.984 -5.225 1.00 0.00 C ATOM 0 H VAL A 21 0.542 -9.168 -6.839 1.00 0.00 H new ATOM 0 HA VAL A 21 1.425 -11.337 -5.074 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.856 -11.627 -4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.885 -9.706 -2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.758 -10.352 -2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.273 -8.854 -3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.540 -9.857 -4.492 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.452 -9.009 -5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.100 -10.611 -6.043 1.00 0.00 H new ATOM 333 N SER A 22 0.802 -12.803 -6.987 1.00 0.00 N ATOM 334 CA SER A 22 0.444 -13.695 -8.084 1.00 0.00 C ATOM 335 C SER A 22 -0.357 -14.903 -7.601 1.00 0.00 C ATOM 336 O SER A 22 -1.473 -15.138 -8.061 1.00 0.00 O ATOM 337 CB SER A 22 1.704 -14.164 -8.812 1.00 0.00 C ATOM 338 OG SER A 22 1.739 -13.675 -10.141 1.00 0.00 O ATOM 0 H SER A 22 1.615 -13.100 -6.448 1.00 0.00 H new ATOM 0 HA SER A 22 -0.188 -13.132 -8.770 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.587 -13.822 -8.273 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.738 -15.253 -8.821 1.00 0.00 H new ATOM 0 HG SER A 22 2.556 -13.988 -10.583 1.00 0.00 H new ATOM 344 N TYR A 23 0.221 -15.674 -6.685 1.00 0.00 N ATOM 345 CA TYR A 23 -0.450 -16.862 -6.166 1.00 0.00 C ATOM 346 C TYR A 23 -1.656 -16.480 -5.312 1.00 0.00 C ATOM 347 O TYR A 23 -2.767 -16.949 -5.552 1.00 0.00 O ATOM 348 CB TYR A 23 0.526 -17.709 -5.345 1.00 0.00 C ATOM 349 CG TYR A 23 1.576 -18.412 -6.180 1.00 0.00 C ATOM 350 CD1 TYR A 23 2.274 -17.734 -7.173 1.00 0.00 C ATOM 351 CD2 TYR A 23 1.871 -19.755 -5.974 1.00 0.00 C ATOM 352 CE1 TYR A 23 3.234 -18.372 -7.934 1.00 0.00 C ATOM 353 CE2 TYR A 23 2.831 -20.400 -6.731 1.00 0.00 C ATOM 354 CZ TYR A 23 3.509 -19.704 -7.709 1.00 0.00 C ATOM 355 OH TYR A 23 4.466 -20.342 -8.466 1.00 0.00 O ATOM 0 H TYR A 23 1.145 -15.500 -6.289 1.00 0.00 H new ATOM 0 HA TYR A 23 -0.802 -17.448 -7.015 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.023 -17.069 -4.616 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.037 -18.454 -4.784 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.062 -16.690 -7.352 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.341 -20.304 -5.209 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.767 -17.830 -8.702 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.049 -21.443 -6.557 1.00 0.00 H new ATOM 0 HH TYR A 23 4.539 -21.277 -8.181 1.00 0.00 H new ATOM 365 N ALA A 24 -1.428 -15.624 -4.322 1.00 0.00 N ATOM 366 CA ALA A 24 -2.495 -15.175 -3.432 1.00 0.00 C ATOM 367 C ALA A 24 -3.339 -16.348 -2.940 1.00 0.00 C ATOM 368 O ALA A 24 -4.136 -16.911 -3.690 1.00 0.00 O ATOM 369 CB ALA A 24 -3.380 -14.147 -4.124 1.00 0.00 C ATOM 0 H ALA A 24 -0.512 -15.226 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.025 -14.708 -2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.168 -13.827 -3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.779 -13.285 -4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.828 -14.592 -5.013 1.00 0.00 H new ATOM 375 N ARG A 25 -3.164 -16.709 -1.672 1.00 0.00 N ATOM 376 CA ARG A 25 -3.915 -17.813 -1.083 1.00 0.00 C ATOM 377 C ARG A 25 -5.305 -17.361 -0.644 1.00 0.00 C ATOM 378 O ARG A 25 -6.043 -18.116 -0.011 1.00 0.00 O ATOM 379 CB ARG A 25 -3.155 -18.396 0.110 1.00 0.00 C ATOM 380 CG ARG A 25 -2.519 -19.746 -0.175 1.00 0.00 C ATOM 381 CD ARG A 25 -1.525 -20.131 0.909 1.00 0.00 C ATOM 382 NE ARG A 25 -0.911 -21.431 0.653 1.00 0.00 N ATOM 383 CZ ARG A 25 -0.033 -21.652 -0.318 1.00 0.00 C ATOM 384 NH1 ARG A 25 0.326 -20.666 -1.129 1.00 0.00 N ATOM 385 NH2 ARG A 25 0.489 -22.860 -0.480 1.00 0.00 N ATOM 0 H ARG A 25 -2.511 -16.255 -1.034 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.030 -18.584 -1.845 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.378 -17.694 0.413 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.840 -18.497 0.952 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.295 -20.508 -0.246 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.013 -19.715 -1.140 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.748 -19.370 0.975 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.032 -20.153 1.874 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.171 -22.213 1.254 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.073 -19.735 -1.008 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.001 -20.839 -1.874 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.216 -23.621 0.142 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.163 -23.028 -1.226 1.00 0.00 H new ATOM 399 N VAL A 26 -5.656 -16.126 -0.986 1.00 0.00 N ATOM 400 CA VAL A 26 -6.957 -15.573 -0.630 1.00 0.00 C ATOM 401 C VAL A 26 -7.601 -14.888 -1.830 1.00 0.00 C ATOM 402 O VAL A 26 -6.941 -14.145 -2.556 1.00 0.00 O ATOM 403 CB VAL A 26 -6.833 -14.554 0.521 1.00 0.00 C ATOM 404 CG1 VAL A 26 -6.558 -15.262 1.838 1.00 0.00 C ATOM 405 CG2 VAL A 26 -5.742 -13.539 0.214 1.00 0.00 C ATOM 0 H VAL A 26 -5.057 -15.488 -1.510 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.583 -16.404 -0.306 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.780 -14.022 0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.474 -14.525 2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.376 -15.947 2.061 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.626 -15.822 1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.666 -12.826 1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.789 -14.054 0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.988 -13.008 -0.706 1.00 0.00 H new ATOM 415 N SER A 27 -8.891 -15.138 -2.037 1.00 0.00 N ATOM 416 CA SER A 27 -9.606 -14.534 -3.156 1.00 0.00 C ATOM 417 C SER A 27 -9.540 -13.016 -3.068 1.00 0.00 C ATOM 418 O SER A 27 -9.336 -12.333 -4.073 1.00 0.00 O ATOM 419 CB SER A 27 -11.063 -14.995 -3.174 1.00 0.00 C ATOM 420 OG SER A 27 -11.834 -14.213 -4.070 1.00 0.00 O ATOM 0 H SER A 27 -9.458 -15.749 -1.450 1.00 0.00 H new ATOM 0 HA SER A 27 -9.128 -14.855 -4.082 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.112 -16.044 -3.467 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.483 -14.924 -2.171 1.00 0.00 H new ATOM 0 HG SER A 27 -12.762 -14.529 -4.065 1.00 0.00 H new ATOM 426 N GLU A 28 -9.699 -12.492 -1.858 1.00 0.00 N ATOM 427 CA GLU A 28 -9.645 -11.056 -1.631 1.00 0.00 C ATOM 428 C GLU A 28 -8.609 -10.739 -0.559 1.00 0.00 C ATOM 429 O GLU A 28 -8.447 -11.491 0.403 1.00 0.00 O ATOM 430 CB GLU A 28 -11.019 -10.528 -1.214 1.00 0.00 C ATOM 431 CG GLU A 28 -11.133 -9.014 -1.277 1.00 0.00 C ATOM 432 CD GLU A 28 -11.657 -8.526 -2.614 1.00 0.00 C ATOM 433 OE1 GLU A 28 -10.892 -8.565 -3.601 1.00 0.00 O ATOM 434 OE2 GLU A 28 -12.831 -8.104 -2.674 1.00 0.00 O ATOM 0 H GLU A 28 -9.867 -13.044 -1.017 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.356 -10.564 -2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.779 -10.969 -1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.233 -10.858 -0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.796 -8.669 -0.483 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.155 -8.571 -1.090 1.00 0.00 H new ATOM 441 N PHE A 29 -7.896 -9.635 -0.737 1.00 0.00 N ATOM 442 CA PHE A 29 -6.862 -9.236 0.208 1.00 0.00 C ATOM 443 C PHE A 29 -7.419 -8.331 1.301 1.00 0.00 C ATOM 444 O PHE A 29 -8.543 -7.838 1.206 1.00 0.00 O ATOM 445 CB PHE A 29 -5.731 -8.527 -0.536 1.00 0.00 C ATOM 446 CG PHE A 29 -5.657 -8.908 -1.986 1.00 0.00 C ATOM 447 CD1 PHE A 29 -5.838 -10.226 -2.376 1.00 0.00 C ATOM 448 CD2 PHE A 29 -5.414 -7.953 -2.960 1.00 0.00 C ATOM 449 CE1 PHE A 29 -5.778 -10.585 -3.708 1.00 0.00 C ATOM 450 CE2 PHE A 29 -5.353 -8.305 -4.296 1.00 0.00 C ATOM 451 CZ PHE A 29 -5.535 -9.623 -4.670 1.00 0.00 C ATOM 0 H PHE A 29 -8.015 -9.000 -1.527 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.477 -10.136 0.689 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.870 -7.449 -0.455 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.782 -8.763 -0.055 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.028 -10.982 -1.628 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.271 -6.922 -2.673 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.921 -11.616 -3.997 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.163 -7.551 -5.046 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.487 -9.901 -5.713 1.00 0.00 H new ATOM 461 N ASP A 30 -6.613 -8.112 2.334 1.00 0.00 N ATOM 462 CA ASP A 30 -7.005 -7.259 3.448 1.00 0.00 C ATOM 463 C ASP A 30 -6.199 -5.966 3.422 1.00 0.00 C ATOM 464 O ASP A 30 -4.977 -5.984 3.574 1.00 0.00 O ATOM 465 CB ASP A 30 -6.799 -7.984 4.779 1.00 0.00 C ATOM 466 CG ASP A 30 -7.432 -9.363 4.792 1.00 0.00 C ATOM 467 OD1 ASP A 30 -7.176 -10.142 3.852 1.00 0.00 O ATOM 468 OD2 ASP A 30 -8.183 -9.663 5.745 1.00 0.00 O ATOM 0 H ASP A 30 -5.680 -8.516 2.422 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.064 -7.019 3.348 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.731 -8.076 4.978 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.223 -7.385 5.585 1.00 0.00 H new ATOM 473 N VAL A 31 -6.885 -4.847 3.219 1.00 0.00 N ATOM 474 CA VAL A 31 -6.222 -3.552 3.162 1.00 0.00 C ATOM 475 C VAL A 31 -6.707 -2.628 4.272 1.00 0.00 C ATOM 476 O VAL A 31 -7.876 -2.242 4.309 1.00 0.00 O ATOM 477 CB VAL A 31 -6.454 -2.866 1.804 1.00 0.00 C ATOM 478 CG1 VAL A 31 -5.472 -1.722 1.607 1.00 0.00 C ATOM 479 CG2 VAL A 31 -6.341 -3.876 0.671 1.00 0.00 C ATOM 0 H VAL A 31 -7.896 -4.811 3.092 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.156 -3.740 3.294 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.463 -2.453 1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.652 -1.250 0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.606 -0.987 2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.453 -2.108 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.508 -3.374 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.346 -4.320 0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.088 -4.658 0.805 1.00 0.00 H new ATOM 489 N TYR A 32 -5.798 -2.270 5.172 1.00 0.00 N ATOM 490 CA TYR A 32 -6.124 -1.385 6.282 1.00 0.00 C ATOM 491 C TYR A 32 -5.159 -0.205 6.323 1.00 0.00 C ATOM 492 O TYR A 32 -3.948 -0.386 6.454 1.00 0.00 O ATOM 493 CB TYR A 32 -6.081 -2.152 7.604 1.00 0.00 C ATOM 494 CG TYR A 32 -6.935 -3.400 7.605 1.00 0.00 C ATOM 495 CD1 TYR A 32 -8.152 -3.431 6.936 1.00 0.00 C ATOM 496 CD2 TYR A 32 -6.524 -4.547 8.272 1.00 0.00 C ATOM 497 CE1 TYR A 32 -8.936 -4.570 6.933 1.00 0.00 C ATOM 498 CE2 TYR A 32 -7.302 -5.690 8.274 1.00 0.00 C ATOM 499 CZ TYR A 32 -8.507 -5.696 7.603 1.00 0.00 C ATOM 500 OH TYR A 32 -9.284 -6.831 7.602 1.00 0.00 O ATOM 0 H TYR A 32 -4.827 -2.581 5.153 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.134 -1.002 6.134 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -5.049 -2.427 7.822 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.412 -1.494 8.408 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.491 -2.551 6.410 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.581 -4.546 8.798 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.880 -4.578 6.408 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.968 -6.573 8.798 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.837 -7.534 8.119 1.00 0.00 H new ATOM 510 N PHE A 33 -5.700 1.002 6.205 1.00 0.00 N ATOM 511 CA PHE A 33 -4.885 2.211 6.221 1.00 0.00 C ATOM 512 C PHE A 33 -5.432 3.222 7.224 1.00 0.00 C ATOM 513 O PHE A 33 -6.598 3.610 7.153 1.00 0.00 O ATOM 514 CB PHE A 33 -4.834 2.831 4.824 1.00 0.00 C ATOM 515 CG PHE A 33 -6.099 3.545 4.434 1.00 0.00 C ATOM 516 CD1 PHE A 33 -7.132 2.862 3.810 1.00 0.00 C ATOM 517 CD2 PHE A 33 -6.252 4.898 4.689 1.00 0.00 C ATOM 518 CE1 PHE A 33 -8.295 3.518 3.450 1.00 0.00 C ATOM 519 CE2 PHE A 33 -7.411 5.557 4.331 1.00 0.00 C ATOM 520 CZ PHE A 33 -8.434 4.867 3.710 1.00 0.00 C ATOM 0 H PHE A 33 -6.700 1.170 6.097 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.875 1.938 6.526 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.002 3.533 4.778 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.630 2.047 4.095 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.027 1.807 3.603 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.456 5.443 5.173 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -9.094 2.976 2.966 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.518 6.612 4.536 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.341 5.382 3.428 1.00 0.00 H new ATOM 530 N GLU A 34 -4.584 3.643 8.159 1.00 0.00 N ATOM 531 CA GLU A 34 -4.994 4.610 9.175 1.00 0.00 C ATOM 532 C GLU A 34 -3.904 5.648 9.435 1.00 0.00 C ATOM 533 O GLU A 34 -2.833 5.324 9.947 1.00 0.00 O ATOM 534 CB GLU A 34 -5.353 3.893 10.480 1.00 0.00 C ATOM 535 CG GLU A 34 -5.065 2.400 10.461 1.00 0.00 C ATOM 536 CD GLU A 34 -5.768 1.659 11.581 1.00 0.00 C ATOM 537 OE1 GLU A 34 -6.990 1.856 11.749 1.00 0.00 O ATOM 538 OE2 GLU A 34 -5.097 0.883 12.292 1.00 0.00 O ATOM 0 H GLU A 34 -3.615 3.333 8.235 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.873 5.131 8.797 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.798 4.350 11.299 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.412 4.046 10.688 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.378 1.985 9.503 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.990 2.240 10.542 1.00 0.00 H new ATOM 545 N GLY A 35 -4.193 6.899 9.089 1.00 0.00 N ATOM 546 CA GLY A 35 -3.242 7.976 9.299 1.00 0.00 C ATOM 547 C GLY A 35 -2.000 7.845 8.441 1.00 0.00 C ATOM 548 O GLY A 35 -1.803 8.615 7.500 1.00 0.00 O ATOM 0 H GLY A 35 -5.075 7.187 8.664 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.727 8.928 9.084 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.951 7.997 10.349 1.00 0.00 H new ATOM 552 N SER A 36 -1.162 6.868 8.764 1.00 0.00 N ATOM 553 CA SER A 36 0.067 6.636 8.019 1.00 0.00 C ATOM 554 C SER A 36 0.534 5.201 8.209 1.00 0.00 C ATOM 555 O SER A 36 1.721 4.896 8.081 1.00 0.00 O ATOM 556 CB SER A 36 1.160 7.604 8.475 1.00 0.00 C ATOM 557 OG SER A 36 0.628 8.614 9.314 1.00 0.00 O ATOM 0 H SER A 36 -1.312 6.222 9.539 1.00 0.00 H new ATOM 0 HA SER A 36 -0.134 6.807 6.961 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.937 7.056 9.008 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.632 8.061 7.605 1.00 0.00 H new ATOM 0 HG SER A 36 0.781 9.492 8.906 1.00 0.00 H new ATOM 563 N ASP A 37 -0.413 4.323 8.517 1.00 0.00 N ATOM 564 CA ASP A 37 -0.115 2.915 8.728 1.00 0.00 C ATOM 565 C ASP A 37 -0.783 2.057 7.661 1.00 0.00 C ATOM 566 O ASP A 37 -2.002 1.877 7.664 1.00 0.00 O ATOM 567 CB ASP A 37 -0.576 2.477 10.119 1.00 0.00 C ATOM 568 CG ASP A 37 -0.030 3.372 11.214 1.00 0.00 C ATOM 569 OD1 ASP A 37 1.078 3.918 11.036 1.00 0.00 O ATOM 570 OD2 ASP A 37 -0.709 3.525 12.251 1.00 0.00 O ATOM 0 H ASP A 37 -1.398 4.565 8.626 1.00 0.00 H new ATOM 0 HA ASP A 37 0.964 2.780 8.655 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.665 2.483 10.157 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.257 1.450 10.299 1.00 0.00 H new ATOM 575 N PHE A 38 0.027 1.537 6.745 1.00 0.00 N ATOM 576 CA PHE A 38 -0.479 0.701 5.664 1.00 0.00 C ATOM 577 C PHE A 38 -0.203 -0.772 5.939 1.00 0.00 C ATOM 578 O PHE A 38 0.947 -1.215 5.914 1.00 0.00 O ATOM 579 CB PHE A 38 0.161 1.109 4.336 1.00 0.00 C ATOM 580 CG PHE A 38 -0.428 0.405 3.147 1.00 0.00 C ATOM 581 CD1 PHE A 38 -1.666 0.776 2.649 1.00 0.00 C ATOM 582 CD2 PHE A 38 0.258 -0.627 2.528 1.00 0.00 C ATOM 583 CE1 PHE A 38 -2.210 0.131 1.555 1.00 0.00 C ATOM 584 CE2 PHE A 38 -0.280 -1.277 1.434 1.00 0.00 C ATOM 585 CZ PHE A 38 -1.515 -0.898 0.946 1.00 0.00 C ATOM 0 H PHE A 38 1.037 1.680 6.730 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.558 0.845 5.602 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.050 2.185 4.203 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.230 0.902 4.378 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.212 1.579 3.121 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.225 -0.927 2.905 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.176 0.430 1.176 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.265 -2.081 0.961 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.937 -1.404 0.090 1.00 0.00 H new ATOM 595 N LYS A 39 -1.263 -1.529 6.200 1.00 0.00 N ATOM 596 CA LYS A 39 -1.137 -2.954 6.477 1.00 0.00 C ATOM 597 C LYS A 39 -1.838 -3.775 5.401 1.00 0.00 C ATOM 598 O LYS A 39 -3.036 -3.616 5.164 1.00 0.00 O ATOM 599 CB LYS A 39 -1.723 -3.279 7.853 1.00 0.00 C ATOM 600 CG LYS A 39 -1.125 -2.446 8.977 1.00 0.00 C ATOM 601 CD LYS A 39 -1.974 -2.513 10.235 1.00 0.00 C ATOM 602 CE LYS A 39 -1.326 -1.757 11.382 1.00 0.00 C ATOM 603 NZ LYS A 39 -2.247 -0.744 11.972 1.00 0.00 N ATOM 0 H LYS A 39 -2.220 -1.178 6.225 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.078 -3.213 6.474 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.801 -3.120 7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.561 -4.335 8.068 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.118 -2.801 9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.034 -1.409 8.653 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.960 -2.095 10.033 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.122 -3.554 10.521 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.020 -2.462 12.154 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.422 -1.262 11.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.767 -0.250 12.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.520 -0.056 11.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.098 -1.219 12.335 1.00 0.00 H new ATOM 617 N PHE A 40 -1.083 -4.650 4.747 1.00 0.00 N ATOM 618 CA PHE A 40 -1.630 -5.493 3.691 1.00 0.00 C ATOM 619 C PHE A 40 -1.365 -6.968 3.979 1.00 0.00 C ATOM 620 O PHE A 40 -0.216 -7.400 4.050 1.00 0.00 O ATOM 621 CB PHE A 40 -1.024 -5.106 2.342 1.00 0.00 C ATOM 622 CG PHE A 40 -1.696 -5.761 1.171 1.00 0.00 C ATOM 623 CD1 PHE A 40 -2.912 -5.289 0.701 1.00 0.00 C ATOM 624 CD2 PHE A 40 -1.113 -6.847 0.540 1.00 0.00 C ATOM 625 CE1 PHE A 40 -3.533 -5.890 -0.378 1.00 0.00 C ATOM 626 CE2 PHE A 40 -1.730 -7.453 -0.538 1.00 0.00 C ATOM 627 CZ PHE A 40 -2.941 -6.973 -0.997 1.00 0.00 C ATOM 0 H PHE A 40 -0.090 -4.794 4.930 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.708 -5.339 3.656 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.081 -4.024 2.224 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.033 -5.371 2.339 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.379 -4.443 1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.165 -7.225 0.894 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.480 -5.513 -0.736 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.266 -8.300 -1.021 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.425 -7.445 -1.840 1.00 0.00 H new ATOM 637 N TYR A 41 -2.439 -7.736 4.142 1.00 0.00 N ATOM 638 CA TYR A 41 -2.320 -9.163 4.421 1.00 0.00 C ATOM 639 C TYR A 41 -3.089 -9.986 3.390 1.00 0.00 C ATOM 640 O TYR A 41 -4.286 -9.785 3.190 1.00 0.00 O ATOM 641 CB TYR A 41 -2.841 -9.475 5.826 1.00 0.00 C ATOM 642 CG TYR A 41 -2.399 -8.483 6.879 1.00 0.00 C ATOM 643 CD1 TYR A 41 -1.073 -8.417 7.289 1.00 0.00 C ATOM 644 CD2 TYR A 41 -3.311 -7.615 7.466 1.00 0.00 C ATOM 645 CE1 TYR A 41 -0.669 -7.514 8.254 1.00 0.00 C ATOM 646 CE2 TYR A 41 -2.915 -6.709 8.431 1.00 0.00 C ATOM 647 CZ TYR A 41 -1.594 -6.662 8.822 1.00 0.00 C ATOM 648 OH TYR A 41 -1.196 -5.762 9.783 1.00 0.00 O ATOM 0 H TYR A 41 -3.399 -7.395 4.086 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.265 -9.431 4.362 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.930 -9.502 5.801 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.504 -10.471 6.115 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.346 -9.082 6.846 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.347 -7.649 7.163 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.365 -7.475 8.562 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.637 -6.041 8.877 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.792 -5.827 10.559 1.00 0.00 H new ATOM 658 N ALA A 42 -2.394 -10.918 2.744 1.00 0.00 N ATOM 659 CA ALA A 42 -3.016 -11.775 1.740 1.00 0.00 C ATOM 660 C ALA A 42 -2.704 -13.242 2.015 1.00 0.00 C ATOM 661 O ALA A 42 -2.604 -14.040 1.089 1.00 0.00 O ATOM 662 CB ALA A 42 -2.559 -11.392 0.339 1.00 0.00 C ATOM 0 H ALA A 42 -1.402 -11.099 2.897 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.095 -11.632 1.800 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.037 -12.046 -0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.836 -10.358 0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.477 -11.498 0.268 1.00 0.00 H new ATOM 668 N LYS A 43 -2.555 -13.569 3.301 1.00 0.00 N ATOM 669 CA LYS A 43 -2.250 -14.927 3.772 1.00 0.00 C ATOM 670 C LYS A 43 -0.734 -15.136 3.921 1.00 0.00 C ATOM 671 O LYS A 43 -0.199 -14.880 4.999 1.00 0.00 O ATOM 672 CB LYS A 43 -2.913 -16.014 2.912 1.00 0.00 C ATOM 673 CG LYS A 43 -2.476 -17.425 3.280 1.00 0.00 C ATOM 674 CD LYS A 43 -2.848 -17.766 4.713 1.00 0.00 C ATOM 675 CE LYS A 43 -4.350 -17.934 4.877 1.00 0.00 C ATOM 676 NZ LYS A 43 -4.928 -16.904 5.784 1.00 0.00 N ATOM 0 H LYS A 43 -2.644 -12.890 4.057 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.689 -15.029 4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.996 -15.938 3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.679 -15.831 1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.942 -18.140 2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.398 -17.519 3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.344 -18.685 5.011 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.495 -16.978 5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.831 -17.870 3.901 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.563 -18.927 5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.954 -17.053 5.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.487 -16.982 6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.747 -15.957 5.394 1.00 0.00 H new ATOM 690 N PRO A 44 0.010 -15.578 2.876 1.00 0.00 N ATOM 691 CA PRO A 44 1.455 -15.764 2.999 1.00 0.00 C ATOM 692 C PRO A 44 2.206 -14.473 2.748 1.00 0.00 C ATOM 693 O PRO A 44 3.391 -14.353 3.062 1.00 0.00 O ATOM 694 CB PRO A 44 1.762 -16.753 1.889 1.00 0.00 C ATOM 695 CG PRO A 44 0.801 -16.391 0.814 1.00 0.00 C ATOM 696 CD PRO A 44 -0.451 -15.913 1.510 1.00 0.00 C ATOM 0 HA PRO A 44 1.749 -16.097 3.994 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.794 -16.665 1.549 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.622 -17.782 2.220 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.211 -15.611 0.172 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.588 -17.249 0.177 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.881 -15.046 1.009 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.220 -16.686 1.526 1.00 0.00 H new ATOM 704 N TYR A 45 1.511 -13.515 2.154 1.00 0.00 N ATOM 705 CA TYR A 45 2.111 -12.235 1.831 1.00 0.00 C ATOM 706 C TYR A 45 1.646 -11.141 2.786 1.00 0.00 C ATOM 707 O TYR A 45 0.467 -10.791 2.819 1.00 0.00 O ATOM 708 CB TYR A 45 1.779 -11.855 0.389 1.00 0.00 C ATOM 709 CG TYR A 45 2.379 -12.796 -0.631 1.00 0.00 C ATOM 710 CD1 TYR A 45 3.708 -13.187 -0.543 1.00 0.00 C ATOM 711 CD2 TYR A 45 1.615 -13.299 -1.677 1.00 0.00 C ATOM 712 CE1 TYR A 45 4.261 -14.051 -1.468 1.00 0.00 C ATOM 713 CE2 TYR A 45 2.160 -14.163 -2.607 1.00 0.00 C ATOM 714 CZ TYR A 45 3.483 -14.536 -2.498 1.00 0.00 C ATOM 715 OH TYR A 45 4.030 -15.398 -3.421 1.00 0.00 O ATOM 0 H TYR A 45 0.531 -13.602 1.887 1.00 0.00 H new ATOM 0 HA TYR A 45 3.191 -12.331 1.940 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.696 -11.839 0.265 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.137 -10.844 0.195 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.320 -12.809 0.263 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.578 -13.010 -1.764 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.297 -14.345 -1.385 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.553 -14.544 -3.415 1.00 0.00 H new ATOM 0 HH TYR A 45 3.349 -15.647 -4.080 1.00 0.00 H new ATOM 725 N PHE A 46 2.585 -10.601 3.555 1.00 0.00 N ATOM 726 CA PHE A 46 2.284 -9.540 4.509 1.00 0.00 C ATOM 727 C PHE A 46 3.156 -8.319 4.240 1.00 0.00 C ATOM 728 O PHE A 46 4.384 -8.400 4.289 1.00 0.00 O ATOM 729 CB PHE A 46 2.501 -10.034 5.944 1.00 0.00 C ATOM 730 CG PHE A 46 3.083 -11.418 6.023 1.00 0.00 C ATOM 731 CD1 PHE A 46 4.435 -11.627 5.806 1.00 0.00 C ATOM 732 CD2 PHE A 46 2.278 -12.508 6.312 1.00 0.00 C ATOM 733 CE1 PHE A 46 4.974 -12.898 5.876 1.00 0.00 C ATOM 734 CE2 PHE A 46 2.811 -13.782 6.383 1.00 0.00 C ATOM 735 CZ PHE A 46 4.160 -13.976 6.164 1.00 0.00 C ATOM 0 H PHE A 46 3.565 -10.882 3.536 1.00 0.00 H new ATOM 0 HA PHE A 46 1.238 -9.257 4.389 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.163 -9.340 6.462 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.548 -10.019 6.472 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.075 -10.787 5.580 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.222 -12.361 6.484 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.030 -13.048 5.706 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.173 -14.624 6.609 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.579 -14.970 6.218 1.00 0.00 H new ATOM 745 N LEU A 47 2.520 -7.191 3.940 1.00 0.00 N ATOM 746 CA LEU A 47 3.252 -5.963 3.651 1.00 0.00 C ATOM 747 C LEU A 47 2.857 -4.838 4.601 1.00 0.00 C ATOM 748 O LEU A 47 1.716 -4.377 4.599 1.00 0.00 O ATOM 749 CB LEU A 47 3.010 -5.531 2.203 1.00 0.00 C ATOM 750 CG LEU A 47 4.195 -5.740 1.258 1.00 0.00 C ATOM 751 CD1 LEU A 47 3.943 -5.050 -0.073 1.00 0.00 C ATOM 752 CD2 LEU A 47 5.477 -5.223 1.893 1.00 0.00 C ATOM 0 H LEU A 47 1.505 -7.102 3.891 1.00 0.00 H new ATOM 0 HA LEU A 47 4.313 -6.169 3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.153 -6.081 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.741 -4.475 2.195 1.00 0.00 H new ATOM 0 HG LEU A 47 4.307 -6.809 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.796 -5.209 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.046 -5.464 -0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.806 -3.981 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.311 -5.379 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.375 -4.158 2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.665 -5.761 2.822 1.00 0.00 H new ATOM 764 N ARG A 48 3.821 -4.394 5.402 1.00 0.00 N ATOM 765 CA ARG A 48 3.595 -3.311 6.354 1.00 0.00 C ATOM 766 C ARG A 48 4.469 -2.112 5.996 1.00 0.00 C ATOM 767 O ARG A 48 5.693 -2.174 6.108 1.00 0.00 O ATOM 768 CB ARG A 48 3.908 -3.777 7.778 1.00 0.00 C ATOM 769 CG ARG A 48 2.696 -3.794 8.695 1.00 0.00 C ATOM 770 CD ARG A 48 2.738 -4.979 9.649 1.00 0.00 C ATOM 771 NE ARG A 48 1.580 -5.016 10.537 1.00 0.00 N ATOM 772 CZ ARG A 48 1.334 -6.013 11.383 1.00 0.00 C ATOM 773 NH1 ARG A 48 2.171 -7.039 11.465 1.00 0.00 N ATOM 774 NH2 ARG A 48 0.253 -5.982 12.151 1.00 0.00 N ATOM 0 H ARG A 48 4.770 -4.769 5.411 1.00 0.00 H new ATOM 0 HA ARG A 48 2.546 -3.017 6.305 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.336 -4.779 7.737 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.668 -3.123 8.206 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.657 -2.866 9.266 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.786 -3.839 8.097 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.782 -5.904 9.074 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.649 -4.931 10.245 1.00 0.00 H new ATOM 0 HE ARG A 48 0.924 -4.235 10.507 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.005 -7.065 10.879 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.980 -7.802 12.114 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.391 -5.193 12.093 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.066 -6.747 12.799 1.00 0.00 H new ATOM 788 N LEU A 49 3.840 -1.028 5.556 1.00 0.00 N ATOM 789 CA LEU A 49 4.578 0.170 5.171 1.00 0.00 C ATOM 790 C LEU A 49 4.075 1.403 5.917 1.00 0.00 C ATOM 791 O LEU A 49 2.873 1.669 5.965 1.00 0.00 O ATOM 792 CB LEU A 49 4.472 0.389 3.661 1.00 0.00 C ATOM 793 CG LEU A 49 5.168 -0.672 2.807 1.00 0.00 C ATOM 794 CD1 LEU A 49 4.757 -0.539 1.349 1.00 0.00 C ATOM 795 CD2 LEU A 49 6.679 -0.560 2.949 1.00 0.00 C ATOM 0 H LEU A 49 2.828 -0.953 5.457 1.00 0.00 H new ATOM 0 HA LEU A 49 5.623 0.020 5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.418 0.422 3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.895 1.364 3.419 1.00 0.00 H new ATOM 0 HG LEU A 49 4.860 -1.656 3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.262 -1.302 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.678 -0.668 1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.035 0.449 0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.160 -1.322 2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.003 0.428 2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.958 -0.706 3.993 1.00 0.00 H new ATOM 807 N THR A 50 5.011 2.152 6.493 1.00 0.00 N ATOM 808 CA THR A 50 4.684 3.363 7.236 1.00 0.00 C ATOM 809 C THR A 50 4.870 4.605 6.369 1.00 0.00 C ATOM 810 O THR A 50 5.989 4.942 5.982 1.00 0.00 O ATOM 811 CB THR A 50 5.560 3.499 8.495 1.00 0.00 C ATOM 812 OG1 THR A 50 6.077 2.229 8.912 1.00 0.00 O ATOM 813 CG2 THR A 50 4.766 4.097 9.646 1.00 0.00 C ATOM 0 H THR A 50 6.008 1.939 6.458 1.00 0.00 H new ATOM 0 HA THR A 50 3.638 3.281 7.533 1.00 0.00 H new ATOM 0 HB THR A 50 6.388 4.158 8.234 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.630 2.348 9.712 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.406 4.183 10.524 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.403 5.085 9.363 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.918 3.452 9.877 1.00 0.00 H new ATOM 821 N LEU A 51 3.766 5.277 6.057 1.00 0.00 N ATOM 822 CA LEU A 51 3.810 6.476 5.226 1.00 0.00 C ATOM 823 C LEU A 51 4.409 7.659 5.982 1.00 0.00 C ATOM 824 O LEU A 51 4.105 7.884 7.154 1.00 0.00 O ATOM 825 CB LEU A 51 2.407 6.831 4.733 1.00 0.00 C ATOM 826 CG LEU A 51 1.581 5.647 4.228 1.00 0.00 C ATOM 827 CD1 LEU A 51 0.206 6.111 3.773 1.00 0.00 C ATOM 828 CD2 LEU A 51 2.308 4.936 3.096 1.00 0.00 C ATOM 0 H LEU A 51 2.831 5.012 6.367 1.00 0.00 H new ATOM 0 HA LEU A 51 4.450 6.262 4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.864 7.313 5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.495 7.563 3.930 1.00 0.00 H new ATOM 0 HG LEU A 51 1.450 4.942 5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.367 5.255 3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.316 6.575 4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.315 6.836 2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.707 4.096 2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.469 5.632 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.270 4.570 3.455 1.00 0.00 H new ATOM 840 N PRO A 52 5.274 8.430 5.307 1.00 0.00 N ATOM 841 CA PRO A 52 5.935 9.604 5.893 1.00 0.00 C ATOM 842 C PRO A 52 4.965 10.747 6.174 1.00 0.00 C ATOM 843 O PRO A 52 5.266 11.649 6.957 1.00 0.00 O ATOM 844 CB PRO A 52 6.933 10.025 4.809 1.00 0.00 C ATOM 845 CG PRO A 52 6.362 9.496 3.544 1.00 0.00 C ATOM 846 CD PRO A 52 5.676 8.211 3.907 1.00 0.00 C ATOM 0 HA PRO A 52 6.389 9.369 6.856 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.043 11.109 4.771 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.923 9.611 5.000 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.658 10.204 3.107 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.144 9.326 2.804 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.816 8.019 3.266 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.344 7.356 3.809 1.00 0.00 H new ATOM 854 N GLY A 53 3.804 10.709 5.530 1.00 0.00 N ATOM 855 CA GLY A 53 2.817 11.757 5.723 1.00 0.00 C ATOM 856 C GLY A 53 1.524 11.240 6.320 1.00 0.00 C ATOM 857 O GLY A 53 1.539 10.437 7.254 1.00 0.00 O ATOM 0 H GLY A 53 3.528 9.974 4.879 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.232 12.525 6.375 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.606 12.232 4.765 1.00 0.00 H new ATOM 861 N ARG A 54 0.399 11.706 5.784 1.00 0.00 N ATOM 862 CA ARG A 54 -0.909 11.287 6.275 1.00 0.00 C ATOM 863 C ARG A 54 -1.909 11.160 5.131 1.00 0.00 C ATOM 864 O ARG A 54 -1.965 12.009 4.242 1.00 0.00 O ATOM 865 CB ARG A 54 -1.451 12.279 7.313 1.00 0.00 C ATOM 866 CG ARG A 54 -0.438 13.306 7.802 1.00 0.00 C ATOM 867 CD ARG A 54 -0.444 13.410 9.319 1.00 0.00 C ATOM 868 NE ARG A 54 -1.670 14.023 9.825 1.00 0.00 N ATOM 869 CZ ARG A 54 -2.107 13.870 11.071 1.00 0.00 C ATOM 870 NH1 ARG A 54 -1.426 13.118 11.925 1.00 0.00 N ATOM 871 NH2 ARG A 54 -3.225 14.466 11.464 1.00 0.00 N ATOM 0 H ARG A 54 0.367 12.372 5.012 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.780 10.312 6.746 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.303 12.806 6.882 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.823 11.719 8.171 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.559 13.029 7.458 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.666 14.280 7.368 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.332 12.415 9.750 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.415 13.997 9.645 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.220 14.599 9.188 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.567 12.657 11.626 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.761 13.001 12.881 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.752 15.044 10.809 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.557 14.346 12.421 1.00 0.00 H new ATOM 885 N ILE A 55 -2.714 10.105 5.178 1.00 0.00 N ATOM 886 CA ILE A 55 -3.734 9.874 4.162 1.00 0.00 C ATOM 887 C ILE A 55 -5.119 9.941 4.795 1.00 0.00 C ATOM 888 O ILE A 55 -5.398 9.242 5.769 1.00 0.00 O ATOM 889 CB ILE A 55 -3.551 8.501 3.486 1.00 0.00 C ATOM 890 CG1 ILE A 55 -2.206 8.438 2.760 1.00 0.00 C ATOM 891 CG2 ILE A 55 -4.693 8.225 2.520 1.00 0.00 C ATOM 892 CD1 ILE A 55 -1.915 9.657 1.910 1.00 0.00 C ATOM 0 H ILE A 55 -2.680 9.395 5.910 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.632 10.650 3.403 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.562 7.732 4.258 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.411 8.321 3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.186 7.551 2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.547 7.251 2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.638 8.228 3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.714 8.997 1.751 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.945 9.540 1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.689 9.764 1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.901 10.546 2.541 1.00 0.00 H new ATOM 904 N VAL A 56 -5.975 10.806 4.261 1.00 0.00 N ATOM 905 CA VAL A 56 -7.316 10.980 4.806 1.00 0.00 C ATOM 906 C VAL A 56 -8.171 9.727 4.664 1.00 0.00 C ATOM 907 O VAL A 56 -7.900 8.858 3.834 1.00 0.00 O ATOM 908 CB VAL A 56 -8.046 12.160 4.139 1.00 0.00 C ATOM 909 CG1 VAL A 56 -8.535 11.770 2.755 1.00 0.00 C ATOM 910 CG2 VAL A 56 -9.202 12.629 5.010 1.00 0.00 C ATOM 0 H VAL A 56 -5.765 11.395 3.455 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.180 11.187 5.868 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.344 12.986 4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.049 12.616 2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.685 11.485 2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.223 10.929 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.708 13.464 4.525 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.907 11.810 5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.820 12.950 5.979 1.00 0.00 H new ATOM 920 N GLU A 57 -9.218 9.661 5.479 1.00 0.00 N ATOM 921 CA GLU A 57 -10.149 8.540 5.463 1.00 0.00 C ATOM 922 C GLU A 57 -11.575 9.037 5.250 1.00 0.00 C ATOM 923 O GLU A 57 -12.028 9.954 5.936 1.00 0.00 O ATOM 924 CB GLU A 57 -10.055 7.749 6.771 1.00 0.00 C ATOM 925 CG GLU A 57 -11.187 6.755 6.966 1.00 0.00 C ATOM 926 CD GLU A 57 -10.698 5.322 7.041 1.00 0.00 C ATOM 927 OE1 GLU A 57 -9.473 5.106 6.932 1.00 0.00 O ATOM 928 OE2 GLU A 57 -11.540 4.415 7.210 1.00 0.00 O ATOM 0 H GLU A 57 -9.444 10.380 6.166 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.882 7.881 4.637 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.106 7.214 6.794 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.048 8.447 7.608 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.726 6.999 7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.895 6.851 6.143 1.00 0.00 H new ATOM 935 N ASN A 58 -12.280 8.434 4.300 1.00 0.00 N ATOM 936 CA ASN A 58 -13.656 8.833 4.010 1.00 0.00 C ATOM 937 C ASN A 58 -14.402 7.767 3.209 1.00 0.00 C ATOM 938 O ASN A 58 -15.438 8.050 2.607 1.00 0.00 O ATOM 939 CB ASN A 58 -13.667 10.157 3.242 1.00 0.00 C ATOM 940 CG ASN A 58 -14.528 11.208 3.912 1.00 0.00 C ATOM 941 OD1 ASN A 58 -14.265 11.615 5.043 1.00 0.00 O ATOM 942 ND2 ASN A 58 -15.564 11.658 3.213 1.00 0.00 N ATOM 0 H ASN A 58 -11.927 7.673 3.720 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.170 8.955 4.964 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.647 10.530 3.153 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.033 9.983 2.230 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.178 12.369 3.611 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.746 11.293 2.278 1.00 0.00 H new ATOM 949 N GLY A 59 -13.879 6.542 3.198 1.00 0.00 N ATOM 950 CA GLY A 59 -14.525 5.472 2.463 1.00 0.00 C ATOM 951 C GLY A 59 -14.475 5.679 0.958 1.00 0.00 C ATOM 952 O GLY A 59 -15.034 4.887 0.200 1.00 0.00 O ATOM 0 H GLY A 59 -13.023 6.274 3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.045 4.525 2.711 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.565 5.395 2.780 1.00 0.00 H new ATOM 956 N SER A 60 -13.806 6.744 0.526 1.00 0.00 N ATOM 957 CA SER A 60 -13.691 7.049 -0.895 1.00 0.00 C ATOM 958 C SER A 60 -12.357 6.566 -1.451 1.00 0.00 C ATOM 959 O SER A 60 -11.689 7.282 -2.197 1.00 0.00 O ATOM 960 CB SER A 60 -13.840 8.553 -1.132 1.00 0.00 C ATOM 961 OG SER A 60 -15.007 9.055 -0.505 1.00 0.00 O ATOM 0 H SER A 60 -13.336 7.409 1.140 1.00 0.00 H new ATOM 0 HA SER A 60 -14.492 6.525 -1.416 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.964 9.074 -0.746 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.884 8.753 -2.203 1.00 0.00 H new ATOM 0 HG SER A 60 -15.078 10.018 -0.670 1.00 0.00 H new ATOM 967 N GLU A 61 -11.975 5.347 -1.088 1.00 0.00 N ATOM 968 CA GLU A 61 -10.721 4.772 -1.556 1.00 0.00 C ATOM 969 C GLU A 61 -10.851 4.296 -2.998 1.00 0.00 C ATOM 970 O GLU A 61 -11.957 4.150 -3.516 1.00 0.00 O ATOM 971 CB GLU A 61 -10.305 3.602 -0.660 1.00 0.00 C ATOM 972 CG GLU A 61 -11.403 2.569 -0.465 1.00 0.00 C ATOM 973 CD GLU A 61 -11.019 1.202 -0.997 1.00 0.00 C ATOM 974 OE1 GLU A 61 -10.030 0.626 -0.497 1.00 0.00 O ATOM 975 OE2 GLU A 61 -11.708 0.706 -1.914 1.00 0.00 O ATOM 0 H GLU A 61 -12.515 4.739 -0.472 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.955 5.546 -1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.431 3.115 -1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.004 3.989 0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.637 2.489 0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.309 2.908 -0.966 1.00 0.00 H new ATOM 982 N GLN A 62 -9.713 4.054 -3.638 1.00 0.00 N ATOM 983 CA GLN A 62 -9.698 3.591 -5.019 1.00 0.00 C ATOM 984 C GLN A 62 -8.849 2.331 -5.148 1.00 0.00 C ATOM 985 O GLN A 62 -7.713 2.289 -4.679 1.00 0.00 O ATOM 986 CB GLN A 62 -9.161 4.687 -5.941 1.00 0.00 C ATOM 987 CG GLN A 62 -9.919 6.000 -5.830 1.00 0.00 C ATOM 988 CD GLN A 62 -10.844 6.241 -7.007 1.00 0.00 C ATOM 989 OE1 GLN A 62 -10.723 5.596 -8.048 1.00 0.00 O ATOM 990 NE2 GLN A 62 -11.776 7.175 -6.846 1.00 0.00 N ATOM 0 H GLN A 62 -8.789 4.171 -3.222 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.720 3.354 -5.316 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.110 4.863 -5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.206 4.337 -6.972 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.501 6.002 -4.909 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.206 6.822 -5.759 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.840 7.685 -5.965 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.427 7.381 -7.603 1.00 0.00 H new ATOM 999 N GLY A 63 -9.406 1.304 -5.778 1.00 0.00 N ATOM 1000 CA GLY A 63 -8.677 0.060 -5.943 1.00 0.00 C ATOM 1001 C GLY A 63 -8.678 -0.429 -7.376 1.00 0.00 C ATOM 1002 O GLY A 63 -9.638 -0.213 -8.114 1.00 0.00 O ATOM 0 H GLY A 63 -10.345 1.309 -6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.648 0.199 -5.611 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.118 -0.703 -5.302 1.00 0.00 H new ATOM 1006 N SER A 64 -7.598 -1.094 -7.771 1.00 0.00 N ATOM 1007 CA SER A 64 -7.476 -1.621 -9.123 1.00 0.00 C ATOM 1008 C SER A 64 -6.542 -2.826 -9.150 1.00 0.00 C ATOM 1009 O SER A 64 -5.322 -2.681 -9.077 1.00 0.00 O ATOM 1010 CB SER A 64 -6.957 -0.539 -10.071 1.00 0.00 C ATOM 1011 OG SER A 64 -5.665 -0.100 -9.685 1.00 0.00 O ATOM 0 H SER A 64 -6.794 -1.281 -7.172 1.00 0.00 H new ATOM 0 HA SER A 64 -8.465 -1.939 -9.454 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.923 -0.928 -11.089 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.646 0.306 -10.075 1.00 0.00 H new ATOM 0 HG SER A 64 -5.535 -0.268 -8.728 1.00 0.00 H new ATOM 1017 N TYR A 65 -7.123 -4.016 -9.260 1.00 0.00 N ATOM 1018 CA TYR A 65 -6.343 -5.246 -9.299 1.00 0.00 C ATOM 1019 C TYR A 65 -6.124 -5.693 -10.739 1.00 0.00 C ATOM 1020 O TYR A 65 -7.033 -6.223 -11.379 1.00 0.00 O ATOM 1021 CB TYR A 65 -7.045 -6.349 -8.506 1.00 0.00 C ATOM 1022 CG TYR A 65 -6.337 -7.685 -8.566 1.00 0.00 C ATOM 1023 CD1 TYR A 65 -4.970 -7.780 -8.334 1.00 0.00 C ATOM 1024 CD2 TYR A 65 -7.036 -8.850 -8.853 1.00 0.00 C ATOM 1025 CE1 TYR A 65 -4.320 -9.000 -8.388 1.00 0.00 C ATOM 1026 CE2 TYR A 65 -6.393 -10.073 -8.908 1.00 0.00 C ATOM 1027 CZ TYR A 65 -5.037 -10.142 -8.676 1.00 0.00 C ATOM 1028 OH TYR A 65 -4.392 -11.356 -8.730 1.00 0.00 O ATOM 0 H TYR A 65 -8.132 -4.154 -9.324 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.372 -5.051 -8.843 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.129 -6.039 -7.465 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.060 -6.468 -8.886 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.406 -6.887 -8.108 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.099 -8.800 -9.036 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.257 -9.058 -8.206 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.951 -10.970 -9.132 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.039 -12.061 -8.943 1.00 0.00 H new ATOM 1038 N ASP A 66 -4.917 -5.471 -11.246 1.00 0.00 N ATOM 1039 CA ASP A 66 -4.586 -5.847 -12.615 1.00 0.00 C ATOM 1040 C ASP A 66 -4.047 -7.271 -12.681 1.00 0.00 C ATOM 1041 O ASP A 66 -2.870 -7.514 -12.406 1.00 0.00 O ATOM 1042 CB ASP A 66 -3.561 -4.872 -13.198 1.00 0.00 C ATOM 1043 CG ASP A 66 -4.152 -3.991 -14.281 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -5.342 -3.630 -14.170 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -3.423 -3.663 -15.242 1.00 0.00 O ATOM 0 H ASP A 66 -4.153 -5.034 -10.731 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.501 -5.802 -13.206 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.165 -4.245 -12.399 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.722 -5.434 -13.608 1.00 0.00 H new ATOM 1050 N ALA A 67 -4.912 -8.208 -13.055 1.00 0.00 N ATOM 1051 CA ALA A 67 -4.521 -9.609 -13.168 1.00 0.00 C ATOM 1052 C ALA A 67 -3.433 -9.775 -14.221 1.00 0.00 C ATOM 1053 O ALA A 67 -2.393 -10.383 -13.969 1.00 0.00 O ATOM 1054 CB ALA A 67 -5.719 -10.482 -13.509 1.00 0.00 C ATOM 0 H ALA A 67 -5.888 -8.023 -13.285 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.128 -9.928 -12.203 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.401 -11.522 -13.588 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.471 -10.391 -12.725 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.145 -10.160 -14.459 1.00 0.00 H new ATOM 1060 N ASP A 68 -3.689 -9.230 -15.405 1.00 0.00 N ATOM 1061 CA ASP A 68 -2.741 -9.317 -16.507 1.00 0.00 C ATOM 1062 C ASP A 68 -1.363 -8.835 -16.066 1.00 0.00 C ATOM 1063 O ASP A 68 -0.363 -9.525 -16.260 1.00 0.00 O ATOM 1064 CB ASP A 68 -3.231 -8.485 -17.692 1.00 0.00 C ATOM 1065 CG ASP A 68 -2.750 -9.032 -19.022 1.00 0.00 C ATOM 1066 OD1 ASP A 68 -3.027 -10.216 -19.311 1.00 0.00 O ATOM 1067 OD2 ASP A 68 -2.097 -8.279 -19.773 1.00 0.00 O ATOM 0 H ASP A 68 -4.546 -8.723 -15.625 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.664 -10.360 -16.814 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.321 -8.457 -17.687 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.885 -7.458 -17.579 1.00 0.00 H new ATOM 1072 N LYS A 69 -1.319 -7.654 -15.458 1.00 0.00 N ATOM 1073 CA LYS A 69 -0.062 -7.093 -14.976 1.00 0.00 C ATOM 1074 C LYS A 69 0.365 -7.789 -13.689 1.00 0.00 C ATOM 1075 O LYS A 69 1.544 -7.804 -13.337 1.00 0.00 O ATOM 1076 CB LYS A 69 -0.201 -5.589 -14.737 1.00 0.00 C ATOM 1077 CG LYS A 69 0.995 -4.785 -15.218 1.00 0.00 C ATOM 1078 CD LYS A 69 0.632 -3.326 -15.438 1.00 0.00 C ATOM 1079 CE LYS A 69 -0.024 -2.724 -14.206 1.00 0.00 C ATOM 1080 NZ LYS A 69 -0.302 -1.271 -14.380 1.00 0.00 N ATOM 0 H LYS A 69 -2.137 -7.068 -15.288 1.00 0.00 H new ATOM 0 HA LYS A 69 0.702 -7.254 -15.737 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.097 -5.230 -15.243 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.344 -5.410 -13.671 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.800 -4.855 -14.486 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.372 -5.212 -16.148 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.530 -2.760 -15.687 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.044 -3.242 -16.289 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.956 -3.250 -13.997 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.624 -2.869 -13.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.749 -0.898 -13.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.590 -0.765 -14.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.941 -1.134 -15.189 1.00 0.00 H new ATOM 1094 N GLY A 70 -0.609 -8.370 -12.997 1.00 0.00 N ATOM 1095 CA GLY A 70 -0.330 -9.070 -11.759 1.00 0.00 C ATOM 1096 C GLY A 70 0.168 -8.153 -10.662 1.00 0.00 C ATOM 1097 O GLY A 70 1.151 -8.463 -9.988 1.00 0.00 O ATOM 0 H GLY A 70 -1.591 -8.368 -13.274 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.235 -9.574 -11.421 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.415 -9.843 -11.945 1.00 0.00 H new ATOM 1101 N ILE A 71 -0.509 -7.024 -10.471 1.00 0.00 N ATOM 1102 CA ILE A 71 -0.127 -6.068 -9.438 1.00 0.00 C ATOM 1103 C ILE A 71 -1.363 -5.435 -8.811 1.00 0.00 C ATOM 1104 O ILE A 71 -2.384 -5.253 -9.476 1.00 0.00 O ATOM 1105 CB ILE A 71 0.768 -4.947 -10.002 1.00 0.00 C ATOM 1106 CG1 ILE A 71 2.083 -5.519 -10.532 1.00 0.00 C ATOM 1107 CG2 ILE A 71 1.035 -3.899 -8.933 1.00 0.00 C ATOM 1108 CD1 ILE A 71 3.179 -4.485 -10.661 1.00 0.00 C ATOM 0 H ILE A 71 -1.325 -6.749 -11.018 1.00 0.00 H new ATOM 0 HA ILE A 71 0.433 -6.622 -8.685 1.00 0.00 H new ATOM 0 HB ILE A 71 0.245 -4.473 -10.832 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.420 -6.313 -9.866 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.906 -5.974 -11.507 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.668 -3.113 -9.344 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.090 -3.468 -8.602 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.538 -4.364 -8.085 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.083 -4.959 -11.042 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.862 -3.702 -11.350 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.383 -4.047 -9.684 1.00 0.00 H new ATOM 1120 N PHE A 72 -1.268 -5.094 -7.531 1.00 0.00 N ATOM 1121 CA PHE A 72 -2.381 -4.473 -6.825 1.00 0.00 C ATOM 1122 C PHE A 72 -2.104 -2.995 -6.578 1.00 0.00 C ATOM 1123 O PHE A 72 -1.170 -2.641 -5.858 1.00 0.00 O ATOM 1124 CB PHE A 72 -2.643 -5.179 -5.494 1.00 0.00 C ATOM 1125 CG PHE A 72 -3.688 -4.499 -4.657 1.00 0.00 C ATOM 1126 CD1 PHE A 72 -4.875 -4.066 -5.227 1.00 0.00 C ATOM 1127 CD2 PHE A 72 -3.485 -4.291 -3.302 1.00 0.00 C ATOM 1128 CE1 PHE A 72 -5.840 -3.437 -4.462 1.00 0.00 C ATOM 1129 CE2 PHE A 72 -4.447 -3.663 -2.532 1.00 0.00 C ATOM 1130 CZ PHE A 72 -5.625 -3.236 -3.113 1.00 0.00 C ATOM 0 H PHE A 72 -0.433 -5.237 -6.962 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.267 -4.567 -7.452 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.955 -6.205 -5.690 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.712 -5.231 -4.929 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.048 -4.222 -6.282 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.566 -4.623 -2.842 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.760 -3.104 -4.919 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -4.277 -3.507 -1.477 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.377 -2.745 -2.513 1.00 0.00 H new ATOM 1140 N THR A 73 -2.916 -2.135 -7.182 1.00 0.00 N ATOM 1141 CA THR A 73 -2.748 -0.698 -7.026 1.00 0.00 C ATOM 1142 C THR A 73 -3.995 -0.056 -6.427 1.00 0.00 C ATOM 1143 O THR A 73 -5.074 -0.107 -7.016 1.00 0.00 O ATOM 1144 CB THR A 73 -2.426 -0.020 -8.370 1.00 0.00 C ATOM 1145 OG1 THR A 73 -2.439 -0.965 -9.448 1.00 0.00 O ATOM 1146 CG2 THR A 73 -1.057 0.643 -8.327 1.00 0.00 C ATOM 0 H THR A 73 -3.694 -2.408 -7.782 1.00 0.00 H new ATOM 0 HA THR A 73 -1.909 -0.552 -6.345 1.00 0.00 H new ATOM 0 HB THR A 73 -3.197 0.731 -8.539 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.233 -0.505 -10.289 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.851 1.115 -9.287 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.043 1.398 -7.541 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.295 -0.109 -8.122 1.00 0.00 H new ATOM 1154 N ILE A 74 -3.838 0.549 -5.254 1.00 0.00 N ATOM 1155 CA ILE A 74 -4.955 1.202 -4.580 1.00 0.00 C ATOM 1156 C ILE A 74 -4.610 2.648 -4.230 1.00 0.00 C ATOM 1157 O ILE A 74 -3.668 2.909 -3.483 1.00 0.00 O ATOM 1158 CB ILE A 74 -5.359 0.445 -3.295 1.00 0.00 C ATOM 1159 CG1 ILE A 74 -6.205 1.335 -2.379 1.00 0.00 C ATOM 1160 CG2 ILE A 74 -4.121 -0.051 -2.561 1.00 0.00 C ATOM 1161 CD1 ILE A 74 -7.427 0.642 -1.816 1.00 0.00 C ATOM 0 H ILE A 74 -2.952 0.601 -4.752 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.798 1.191 -5.271 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.963 -0.416 -3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.585 1.686 -1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.523 2.216 -2.936 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.422 -0.582 -1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.560 -0.725 -3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.494 0.798 -2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.976 1.334 -1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.069 0.316 -2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.117 -0.224 -1.230 1.00 0.00 H new ATOM 1173 N ARG A 75 -5.387 3.581 -4.772 1.00 0.00 N ATOM 1174 CA ARG A 75 -5.169 4.999 -4.514 1.00 0.00 C ATOM 1175 C ARG A 75 -5.910 5.443 -3.262 1.00 0.00 C ATOM 1176 O ARG A 75 -6.981 4.928 -2.942 1.00 0.00 O ATOM 1177 CB ARG A 75 -5.624 5.836 -5.712 1.00 0.00 C ATOM 1178 CG ARG A 75 -5.614 5.077 -7.028 1.00 0.00 C ATOM 1179 CD ARG A 75 -5.219 5.981 -8.184 1.00 0.00 C ATOM 1180 NE ARG A 75 -3.849 5.735 -8.625 1.00 0.00 N ATOM 1181 CZ ARG A 75 -3.521 4.845 -9.555 1.00 0.00 C ATOM 1182 NH1 ARG A 75 -4.461 4.126 -10.154 1.00 0.00 N ATOM 1183 NH2 ARG A 75 -2.249 4.674 -9.889 1.00 0.00 N ATOM 0 H ARG A 75 -6.172 3.380 -5.392 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.101 5.152 -4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.632 6.205 -5.524 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.976 6.708 -5.801 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.917 4.241 -6.963 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.602 4.655 -7.214 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.903 5.823 -9.018 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.321 7.023 -7.881 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.101 6.278 -8.194 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.441 4.255 -9.901 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.204 3.444 -10.868 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.523 5.226 -9.432 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.997 3.991 -10.603 1.00 0.00 H new ATOM 1197 N LEU A 76 -5.326 6.401 -2.558 1.00 0.00 N ATOM 1198 CA LEU A 76 -5.919 6.921 -1.337 1.00 0.00 C ATOM 1199 C LEU A 76 -5.889 8.447 -1.328 1.00 0.00 C ATOM 1200 O LEU A 76 -4.993 9.063 -1.902 1.00 0.00 O ATOM 1201 CB LEU A 76 -5.172 6.375 -0.120 1.00 0.00 C ATOM 1202 CG LEU A 76 -5.170 4.851 0.011 1.00 0.00 C ATOM 1203 CD1 LEU A 76 -3.756 4.306 -0.119 1.00 0.00 C ATOM 1204 CD2 LEU A 76 -5.786 4.430 1.337 1.00 0.00 C ATOM 0 H LEU A 76 -4.439 6.835 -2.813 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.959 6.598 -1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.139 6.722 -0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.615 6.801 0.780 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.773 4.435 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.774 3.220 -0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.350 4.578 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.129 4.729 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.777 3.343 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.209 4.857 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.814 4.789 1.391 1.00 0.00 H new ATOM 1216 N PRO A 77 -6.874 9.076 -0.674 1.00 0.00 N ATOM 1217 CA PRO A 77 -6.959 10.532 -0.590 1.00 0.00 C ATOM 1218 C PRO A 77 -6.008 11.095 0.463 1.00 0.00 C ATOM 1219 O PRO A 77 -5.706 10.435 1.459 1.00 0.00 O ATOM 1220 CB PRO A 77 -8.413 10.770 -0.194 1.00 0.00 C ATOM 1221 CG PRO A 77 -8.804 9.554 0.579 1.00 0.00 C ATOM 1222 CD PRO A 77 -7.981 8.411 0.037 1.00 0.00 C ATOM 0 HA PRO A 77 -6.675 11.024 -1.520 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.516 11.672 0.410 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.045 10.900 -1.072 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.616 9.695 1.643 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.869 9.351 0.468 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.613 7.769 0.837 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.565 7.781 -0.634 1.00 0.00 H new ATOM 1230 N LYS A 78 -5.536 12.315 0.242 1.00 0.00 N ATOM 1231 CA LYS A 78 -4.618 12.955 1.176 1.00 0.00 C ATOM 1232 C LYS A 78 -5.363 13.874 2.137 1.00 0.00 C ATOM 1233 O LYS A 78 -6.425 14.403 1.809 1.00 0.00 O ATOM 1234 CB LYS A 78 -3.554 13.746 0.413 1.00 0.00 C ATOM 1235 CG LYS A 78 -2.661 12.880 -0.459 1.00 0.00 C ATOM 1236 CD LYS A 78 -1.216 13.352 -0.420 1.00 0.00 C ATOM 1237 CE LYS A 78 -0.267 12.213 -0.087 1.00 0.00 C ATOM 1238 NZ LYS A 78 0.933 12.215 -0.967 1.00 0.00 N ATOM 0 H LYS A 78 -5.773 12.880 -0.573 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.132 12.173 1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.046 14.491 -0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.935 14.288 1.127 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.716 11.845 -0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.024 12.901 -1.487 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.946 13.781 -1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.111 14.144 0.322 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.046 12.294 0.954 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.791 11.263 -0.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.617 11.511 -0.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.651 11.977 -1.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.371 13.158 -0.954 1.00 0.00 H new ATOM 1252 N GLU A 79 -4.794 14.064 3.324 1.00 0.00 N ATOM 1253 CA GLU A 79 -5.395 14.925 4.335 1.00 0.00 C ATOM 1254 C GLU A 79 -5.015 16.382 4.097 1.00 0.00 C ATOM 1255 O GLU A 79 -5.578 17.290 4.709 1.00 0.00 O ATOM 1256 CB GLU A 79 -4.951 14.490 5.733 1.00 0.00 C ATOM 1257 CG GLU A 79 -5.255 15.512 6.817 1.00 0.00 C ATOM 1258 CD GLU A 79 -5.771 14.875 8.092 1.00 0.00 C ATOM 1259 OE1 GLU A 79 -6.544 13.899 7.998 1.00 0.00 O ATOM 1260 OE2 GLU A 79 -5.404 15.354 9.185 1.00 0.00 O ATOM 0 H GLU A 79 -3.915 13.632 3.609 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.479 14.833 4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.442 13.550 5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.879 14.296 5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.352 16.080 7.039 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.994 16.221 6.445 1.00 0.00 H new ATOM 1267 N THR A 80 -4.061 16.598 3.198 1.00 0.00 N ATOM 1268 CA THR A 80 -3.605 17.941 2.870 1.00 0.00 C ATOM 1269 C THR A 80 -3.096 17.997 1.436 1.00 0.00 C ATOM 1270 O THR A 80 -1.956 17.627 1.155 1.00 0.00 O ATOM 1271 CB THR A 80 -2.484 18.404 3.819 1.00 0.00 C ATOM 1272 OG1 THR A 80 -2.968 18.568 5.158 1.00 0.00 O ATOM 1273 CG2 THR A 80 -1.892 19.726 3.355 1.00 0.00 C ATOM 0 H THR A 80 -3.588 15.856 2.682 1.00 0.00 H new ATOM 0 HA THR A 80 -4.459 18.608 2.984 1.00 0.00 H new ATOM 0 HB THR A 80 -1.717 17.630 3.804 1.00 0.00 H new ATOM 0 HG1 THR A 80 -3.917 18.325 5.195 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.103 20.032 4.041 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.477 19.607 2.354 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.672 20.487 3.336 1.00 0.00 H new ATOM 1281 N PRO A 81 -3.942 18.457 0.504 1.00 0.00 N ATOM 1282 CA PRO A 81 -3.581 18.557 -0.908 1.00 0.00 C ATOM 1283 C PRO A 81 -2.181 19.126 -1.110 1.00 0.00 C ATOM 1284 O PRO A 81 -1.684 19.887 -0.278 1.00 0.00 O ATOM 1285 CB PRO A 81 -4.637 19.509 -1.465 1.00 0.00 C ATOM 1286 CG PRO A 81 -5.836 19.279 -0.611 1.00 0.00 C ATOM 1287 CD PRO A 81 -5.319 18.917 0.759 1.00 0.00 C ATOM 0 HA PRO A 81 -3.560 17.584 -1.400 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.305 20.546 -1.411 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.850 19.297 -2.513 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.459 20.172 -0.568 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.454 18.478 -1.017 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.336 19.774 1.433 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.923 18.136 1.221 1.00 0.00 H new ATOM 1295 N GLY A 82 -1.555 18.761 -2.223 1.00 0.00 N ATOM 1296 CA GLY A 82 -0.222 19.251 -2.520 1.00 0.00 C ATOM 1297 C GLY A 82 0.857 18.592 -1.681 1.00 0.00 C ATOM 1298 O GLY A 82 2.041 18.886 -1.849 1.00 0.00 O ATOM 0 H GLY A 82 -1.947 18.134 -2.926 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.007 19.083 -3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.193 20.328 -2.357 1.00 0.00 H new ATOM 1302 N GLN A 83 0.459 17.700 -0.777 1.00 0.00 N ATOM 1303 CA GLN A 83 1.421 17.009 0.078 1.00 0.00 C ATOM 1304 C GLN A 83 2.136 15.902 -0.688 1.00 0.00 C ATOM 1305 O GLN A 83 1.519 15.173 -1.465 1.00 0.00 O ATOM 1306 CB GLN A 83 0.730 16.424 1.311 1.00 0.00 C ATOM 1307 CG GLN A 83 1.703 15.825 2.315 1.00 0.00 C ATOM 1308 CD GLN A 83 1.076 15.607 3.677 1.00 0.00 C ATOM 1309 OE1 GLN A 83 -0.146 15.542 3.808 1.00 0.00 O ATOM 1310 NE2 GLN A 83 1.914 15.492 4.702 1.00 0.00 N ATOM 0 H GLN A 83 -0.514 17.440 -0.618 1.00 0.00 H new ATOM 0 HA GLN A 83 2.160 17.742 0.403 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.149 17.206 1.800 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.025 15.655 0.994 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.073 14.873 1.933 1.00 0.00 H new ATOM 0 HG3 GLN A 83 2.565 16.484 2.417 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.920 15.552 4.547 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.551 15.343 5.643 1.00 0.00 H new ATOM 1319 N HIS A 84 3.441 15.785 -0.468 1.00 0.00 N ATOM 1320 CA HIS A 84 4.241 14.771 -1.143 1.00 0.00 C ATOM 1321 C HIS A 84 5.038 13.936 -0.145 1.00 0.00 C ATOM 1322 O HIS A 84 5.908 14.454 0.557 1.00 0.00 O ATOM 1323 CB HIS A 84 5.191 15.431 -2.142 1.00 0.00 C ATOM 1324 CG HIS A 84 5.402 14.631 -3.389 1.00 0.00 C ATOM 1325 ND1 HIS A 84 6.594 14.006 -3.690 1.00 0.00 N ATOM 1326 CD2 HIS A 84 4.564 14.356 -4.417 1.00 0.00 C ATOM 1327 CE1 HIS A 84 6.480 13.382 -4.849 1.00 0.00 C ATOM 1328 NE2 HIS A 84 5.259 13.579 -5.310 1.00 0.00 N ATOM 0 H HIS A 84 3.967 16.380 0.172 1.00 0.00 H new ATOM 0 HA HIS A 84 3.560 14.106 -1.674 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.797 16.411 -2.412 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.154 15.596 -1.659 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.540 14.686 -4.516 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.254 12.808 -5.336 1.00 0.00 H new ATOM 0 HE2 HIS A 84 4.891 13.213 -6.188 1.00 0.00 H new ATOM 1337 N PHE A 85 4.744 12.641 -0.097 1.00 0.00 N ATOM 1338 CA PHE A 85 5.438 11.730 0.802 1.00 0.00 C ATOM 1339 C PHE A 85 6.852 11.460 0.296 1.00 0.00 C ATOM 1340 O PHE A 85 7.073 10.557 -0.512 1.00 0.00 O ATOM 1341 CB PHE A 85 4.658 10.421 0.918 1.00 0.00 C ATOM 1342 CG PHE A 85 3.356 10.563 1.657 1.00 0.00 C ATOM 1343 CD1 PHE A 85 2.854 11.818 1.967 1.00 0.00 C ATOM 1344 CD2 PHE A 85 2.632 9.443 2.037 1.00 0.00 C ATOM 1345 CE1 PHE A 85 1.656 11.953 2.643 1.00 0.00 C ATOM 1346 CE2 PHE A 85 1.434 9.573 2.714 1.00 0.00 C ATOM 1347 CZ PHE A 85 0.946 10.830 3.018 1.00 0.00 C ATOM 0 H PHE A 85 4.027 12.199 -0.673 1.00 0.00 H new ATOM 0 HA PHE A 85 5.506 12.190 1.788 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.459 10.036 -0.082 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.277 9.682 1.427 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.406 12.700 1.677 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.008 8.458 1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.276 12.936 2.878 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.880 8.693 3.005 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.011 10.933 3.548 1.00 0.00 H new ATOM 1357 N GLU A 86 7.801 12.264 0.763 1.00 0.00 N ATOM 1358 CA GLU A 86 9.195 12.136 0.350 1.00 0.00 C ATOM 1359 C GLU A 86 9.786 10.788 0.751 1.00 0.00 C ATOM 1360 O GLU A 86 9.270 10.102 1.634 1.00 0.00 O ATOM 1361 CB GLU A 86 10.026 13.268 0.958 1.00 0.00 C ATOM 1362 CG GLU A 86 10.408 14.347 -0.043 1.00 0.00 C ATOM 1363 CD GLU A 86 10.859 15.631 0.626 1.00 0.00 C ATOM 1364 OE1 GLU A 86 10.581 15.802 1.831 1.00 0.00 O ATOM 1365 OE2 GLU A 86 11.494 16.462 -0.056 1.00 0.00 O ATOM 0 H GLU A 86 7.629 13.015 1.431 1.00 0.00 H new ATOM 0 HA GLU A 86 9.223 12.201 -0.738 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.464 13.723 1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.934 12.849 1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.207 13.976 -0.684 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.555 14.558 -0.687 1.00 0.00 H new ATOM 1372 N GLY A 87 10.882 10.423 0.091 1.00 0.00 N ATOM 1373 CA GLY A 87 11.555 9.168 0.375 1.00 0.00 C ATOM 1374 C GLY A 87 10.599 8.029 0.675 1.00 0.00 C ATOM 1375 O GLY A 87 10.787 7.295 1.645 1.00 0.00 O ATOM 0 H GLY A 87 11.319 10.981 -0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.177 8.896 -0.478 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.223 9.306 1.225 1.00 0.00 H new ATOM 1379 N LEU A 88 9.568 7.885 -0.149 1.00 0.00 N ATOM 1380 CA LEU A 88 8.580 6.830 0.052 1.00 0.00 C ATOM 1381 C LEU A 88 9.205 5.445 -0.084 1.00 0.00 C ATOM 1382 O LEU A 88 9.208 4.670 0.872 1.00 0.00 O ATOM 1383 CB LEU A 88 7.434 6.987 -0.941 1.00 0.00 C ATOM 1384 CG LEU A 88 6.109 7.444 -0.328 1.00 0.00 C ATOM 1385 CD1 LEU A 88 5.137 7.874 -1.415 1.00 0.00 C ATOM 1386 CD2 LEU A 88 5.508 6.338 0.525 1.00 0.00 C ATOM 0 H LEU A 88 9.394 8.481 -0.958 1.00 0.00 H new ATOM 0 HA LEU A 88 8.193 6.925 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.731 7.705 -1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.275 6.033 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 88 6.304 8.303 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.201 8.196 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.567 8.700 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.946 7.035 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.566 6.680 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.327 5.459 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.199 6.081 1.328 1.00 0.00 H new ATOM 1398 N ASN A 89 9.733 5.121 -1.268 1.00 0.00 N ATOM 1399 CA ASN A 89 10.350 3.816 -1.492 1.00 0.00 C ATOM 1400 C ASN A 89 11.798 3.798 -1.007 1.00 0.00 C ATOM 1401 O ASN A 89 12.566 2.897 -1.344 1.00 0.00 O ATOM 1402 CB ASN A 89 10.294 3.445 -2.975 1.00 0.00 C ATOM 1403 CG ASN A 89 10.901 4.512 -3.866 1.00 0.00 C ATOM 1404 OD1 ASN A 89 12.111 4.534 -4.092 1.00 0.00 O ATOM 1405 ND2 ASN A 89 10.059 5.402 -4.376 1.00 0.00 N ATOM 0 H ASN A 89 9.745 5.740 -2.078 1.00 0.00 H new ATOM 0 HA ASN A 89 9.787 3.080 -0.918 1.00 0.00 H new ATOM 0 HB2 ASN A 89 10.821 2.504 -3.131 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.256 3.281 -3.266 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.407 6.144 -4.983 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.064 5.344 -4.161 1.00 0.00 H new ATOM 1412 N MET A 90 12.149 4.780 -0.186 1.00 0.00 N ATOM 1413 CA MET A 90 13.485 4.871 0.385 1.00 0.00 C ATOM 1414 C MET A 90 13.392 4.694 1.895 1.00 0.00 C ATOM 1415 O MET A 90 14.314 4.194 2.539 1.00 0.00 O ATOM 1416 CB MET A 90 14.135 6.215 0.040 1.00 0.00 C ATOM 1417 CG MET A 90 13.874 7.310 1.063 1.00 0.00 C ATOM 1418 SD MET A 90 15.139 7.381 2.345 1.00 0.00 S ATOM 1419 CE MET A 90 15.331 9.152 2.528 1.00 0.00 C ATOM 0 H MET A 90 11.520 5.530 0.101 1.00 0.00 H new ATOM 0 HA MET A 90 14.110 4.084 -0.036 1.00 0.00 H new ATOM 0 HB2 MET A 90 15.211 6.072 -0.057 1.00 0.00 H new ATOM 0 HB3 MET A 90 13.768 6.545 -0.932 1.00 0.00 H new ATOM 0 HG2 MET A 90 13.824 8.273 0.554 1.00 0.00 H new ATOM 0 HG3 MET A 90 12.902 7.144 1.527 1.00 0.00 H new ATOM 0 HE1 MET A 90 16.083 9.360 3.289 1.00 0.00 H new ATOM 0 HE2 MET A 90 15.647 9.584 1.578 1.00 0.00 H new ATOM 0 HE3 MET A 90 14.380 9.592 2.828 1.00 0.00 H new ATOM 1429 N LEU A 91 12.249 5.101 2.443 1.00 0.00 N ATOM 1430 CA LEU A 91 11.986 4.990 3.865 1.00 0.00 C ATOM 1431 C LEU A 91 12.219 3.557 4.338 1.00 0.00 C ATOM 1432 O LEU A 91 12.514 2.675 3.532 1.00 0.00 O ATOM 1433 CB LEU A 91 10.545 5.427 4.152 1.00 0.00 C ATOM 1434 CG LEU A 91 10.405 6.767 4.876 1.00 0.00 C ATOM 1435 CD1 LEU A 91 9.020 6.901 5.490 1.00 0.00 C ATOM 1436 CD2 LEU A 91 11.480 6.913 5.942 1.00 0.00 C ATOM 0 H LEU A 91 11.484 5.515 1.910 1.00 0.00 H new ATOM 0 HA LEU A 91 12.670 5.641 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 91 10.004 5.484 3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.060 4.656 4.751 1.00 0.00 H new ATOM 0 HG LEU A 91 10.535 7.567 4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.940 7.861 6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.267 6.844 4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.860 6.095 6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 91 11.364 7.872 6.446 1.00 0.00 H new ATOM 0 HD22 LEU A 91 11.383 6.107 6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 91 12.464 6.865 5.476 1.00 0.00 H new ATOM 1448 N THR A 92 12.097 3.328 5.641 1.00 0.00 N ATOM 1449 CA THR A 92 12.309 1.995 6.195 1.00 0.00 C ATOM 1450 C THR A 92 11.373 1.711 7.364 1.00 0.00 C ATOM 1451 O THR A 92 10.634 2.589 7.812 1.00 0.00 O ATOM 1452 CB THR A 92 13.763 1.812 6.665 1.00 0.00 C ATOM 1453 OG1 THR A 92 14.507 3.032 6.547 1.00 0.00 O ATOM 1454 CG2 THR A 92 14.465 0.740 5.846 1.00 0.00 C ATOM 0 H THR A 92 11.854 4.041 6.329 1.00 0.00 H new ATOM 0 HA THR A 92 12.094 1.290 5.392 1.00 0.00 H new ATOM 0 HB THR A 92 13.723 1.513 7.712 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.426 2.886 6.854 1.00 0.00 H new ATOM 0 HG21 THR A 92 15.491 0.628 6.196 1.00 0.00 H new ATOM 0 HG22 THR A 92 13.938 -0.207 5.959 1.00 0.00 H new ATOM 0 HG23 THR A 92 14.470 1.030 4.795 1.00 0.00 H new ATOM 1462 N ALA A 93 11.415 0.474 7.852 1.00 0.00 N ATOM 1463 CA ALA A 93 10.577 0.059 8.971 1.00 0.00 C ATOM 1464 C ALA A 93 11.393 -0.034 10.256 1.00 0.00 C ATOM 1465 O ALA A 93 12.517 -0.536 10.255 1.00 0.00 O ATOM 1466 CB ALA A 93 9.907 -1.275 8.680 1.00 0.00 C ATOM 0 H ALA A 93 12.023 -0.260 7.488 1.00 0.00 H new ATOM 0 HA ALA A 93 9.803 0.815 9.105 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.287 -1.564 9.529 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.284 -1.183 7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.669 -2.036 8.512 1.00 0.00 H new ATOM 1472 N LEU A 94 10.821 0.455 11.352 1.00 0.00 N ATOM 1473 CA LEU A 94 11.498 0.426 12.644 1.00 0.00 C ATOM 1474 C LEU A 94 10.875 -0.617 13.565 1.00 0.00 C ATOM 1475 O LEU A 94 9.665 -0.843 13.537 1.00 0.00 O ATOM 1476 CB LEU A 94 11.439 1.804 13.305 1.00 0.00 C ATOM 1477 CG LEU A 94 10.039 2.413 13.404 1.00 0.00 C ATOM 1478 CD1 LEU A 94 9.749 2.857 14.829 1.00 0.00 C ATOM 1479 CD2 LEU A 94 9.902 3.584 12.441 1.00 0.00 C ATOM 0 H LEU A 94 9.892 0.875 11.371 1.00 0.00 H new ATOM 0 HA LEU A 94 12.540 0.155 12.472 1.00 0.00 H new ATOM 0 HB2 LEU A 94 11.858 1.727 14.309 1.00 0.00 H new ATOM 0 HB3 LEU A 94 12.077 2.487 12.745 1.00 0.00 H new ATOM 0 HG LEU A 94 9.310 1.651 13.128 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.749 3.288 14.880 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.808 1.998 15.497 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.482 3.605 15.133 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.901 4.007 12.523 1.00 0.00 H new ATOM 0 HD22 LEU A 94 10.640 4.347 12.689 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.067 3.237 11.421 1.00 0.00 H new ATOM 1491 N LEU A 95 11.710 -1.249 14.383 1.00 0.00 N ATOM 1492 CA LEU A 95 11.244 -2.266 15.317 1.00 0.00 C ATOM 1493 C LEU A 95 11.068 -1.686 16.717 1.00 0.00 C ATOM 1494 O LEU A 95 12.014 -1.162 17.306 1.00 0.00 O ATOM 1495 CB LEU A 95 12.226 -3.438 15.356 1.00 0.00 C ATOM 1496 CG LEU A 95 12.317 -4.248 14.062 1.00 0.00 C ATOM 1497 CD1 LEU A 95 13.014 -3.443 12.977 1.00 0.00 C ATOM 1498 CD2 LEU A 95 13.046 -5.561 14.306 1.00 0.00 C ATOM 0 H LEU A 95 12.714 -1.074 14.418 1.00 0.00 H new ATOM 0 HA LEU A 95 10.274 -2.623 14.971 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.217 -3.054 15.597 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.938 -4.107 16.166 1.00 0.00 H new ATOM 0 HG LEU A 95 11.305 -4.474 13.725 1.00 0.00 H new ATOM 0 HD11 LEU A 95 13.070 -4.035 12.064 1.00 0.00 H new ATOM 0 HD12 LEU A 95 12.452 -2.530 12.784 1.00 0.00 H new ATOM 0 HD13 LEU A 95 14.021 -3.186 13.305 1.00 0.00 H new ATOM 0 HD21 LEU A 95 13.102 -6.125 13.375 1.00 0.00 H new ATOM 0 HD22 LEU A 95 14.054 -5.356 14.667 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.505 -6.144 15.051 1.00 0.00 H new ATOM 1510 N ALA A 96 9.853 -1.783 17.246 1.00 0.00 N ATOM 1511 CA ALA A 96 9.557 -1.268 18.579 1.00 0.00 C ATOM 1512 C ALA A 96 9.398 -2.407 19.580 1.00 0.00 C ATOM 1513 O ALA A 96 10.421 -2.830 20.160 1.00 0.00 O ATOM 1514 CB ALA A 96 8.305 -0.405 18.565 1.00 0.00 C ATOM 1515 OXT ALA A 96 8.254 -2.867 19.776 1.00 0.00 O ATOM 0 H ALA A 96 9.058 -2.213 16.773 1.00 0.00 H new ATOM 0 HA ALA A 96 10.399 -0.649 18.888 1.00 0.00 H new ATOM 0 HB1 ALA A 96 8.107 -0.034 19.571 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.452 0.438 17.890 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.457 -0.999 18.224 1.00 0.00 H new TER 1521 ALA A 96