USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1112 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 97 SER OG : rot 180:sc= -1.05 USER MOD Set 1.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 88 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 31 ASN : amide:sc= -0.497 X(o=-0.9,f=-1.3) USER MOD Set 3.2: A 35 GLN : amide:sc= -0.407 K(o=-0.9,f=-6.3!) USER MOD Single : A 3 THR OG1 : rot -30:sc= -0.79 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.11) USER MOD Single : A 25 SER OG : rot 31:sc= 0.0407 USER MOD Single : A 29 SER OG : rot 180:sc= -0.129 USER MOD Single : A 32 ASN :FLIP amide:sc= -0.601 F(o=-3.4!,f=-0.6) USER MOD Single : A 34 MET CE :methyl 156:sc= -0.205 (180deg=-0.961) USER MOD Single : A 37 ASN : amide:sc= -0.0905 X(o=-0.091,f=0) USER MOD Single : A 46 THR OG1 : rot -72:sc= 0.752 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -168:sc= -0.0289 (180deg=-0.222) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.0776 X(o=-0.078,f=-0.22) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0388) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS :FLIP no HE2:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 80 ASN :FLIP amide:sc= 0.0953 F(o=-2.8!,f=0.095) USER MOD Single : A 86 SER OG : rot 65:sc= 0.52 USER MOD Single : A 93 GLN : amide:sc= -1.22 X(o=-1.2,f=-0.92) USER MOD Single : A 94 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.15) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 90:sc= 0.478 USER MOD Single : A 104 SER OG : rot 160:sc= 0 USER MOD Single : A 107 THR OG1 : rot -6:sc= 0.819 USER MOD Single : A 108 SER OG : rot 80:sc= 1.29 USER MOD Single : A 110 GLN :FLIP amide:sc= -1.03 F(o=-2.7!,f=-1) USER MOD Single : A 111 SER OG : rot 79:sc= 0.352 USER MOD Single : A 123 ASN : amide:sc= -0.179 K(o=-0.18,f=-6!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 128 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 LYS NZ :NH3+ -103:sc= -1.5 (180deg=-4.06!) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ -171:sc= -0.0171 (180deg=-0.166) USER MOD Single : A 142 SER OG : rot -16:sc= 0.513 USER MOD Single : A 147 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 -24.108 4.139 6.924 0.06 0.00 N ATOM 32 CA THR A 3 -23.597 5.293 6.193 0.48 0.00 C ATOM 33 C THR A 3 -23.451 4.984 4.704 0.07 0.00 C ATOM 34 O THR A 3 -23.298 3.826 4.315 1.00 0.00 O ATOM 35 CB THR A 3 -22.239 5.763 6.747 0.06 0.00 C ATOM 36 OG1 THR A 3 -21.460 4.640 7.171 0.94 0.00 O ATOM 37 CG2 THR A 3 -22.433 6.727 7.907 0.08 0.00 C ATOM 0 HA THR A 3 -24.326 6.093 6.325 0.48 0.00 H new ATOM 0 HB THR A 3 -21.709 6.283 5.949 0.06 0.00 H new ATOM 0 HG1 THR A 3 -22.057 3.922 7.469 0.94 0.00 H new ATOM 0 HG21 THR A 3 -21.460 7.045 8.282 0.08 0.00 H new ATOM 0 HG22 THR A 3 -22.994 7.598 7.567 0.08 0.00 H new ATOM 0 HG23 THR A 3 -22.984 6.230 8.705 0.08 0.00 H new ATOM 45 N PRO A 4 -23.498 6.025 3.850 0.10 0.00 N ATOM 46 CA PRO A 4 -23.375 5.863 2.396 0.17 0.00 C ATOM 47 C PRO A 4 -22.054 5.220 1.992 0.19 0.00 C ATOM 48 O PRO A 4 -21.977 4.530 0.975 0.09 0.00 O ATOM 49 CB PRO A 4 -23.462 7.298 1.856 0.06 0.00 C ATOM 50 CG PRO A 4 -23.168 8.174 3.025 0.10 0.00 C ATOM 51 CD PRO A 4 -23.671 7.436 4.229 1.00 0.00 C ATOM 0 HA PRO A 4 -24.146 5.202 2.000 0.17 0.00 H new ATOM 0 HB2 PRO A 4 -22.744 7.460 1.052 0.06 0.00 H new ATOM 0 HB3 PRO A 4 -24.451 7.506 1.447 0.06 0.00 H new ATOM 0 HG2 PRO A 4 -22.099 8.371 3.106 0.10 0.00 H new ATOM 0 HG3 PRO A 4 -23.663 9.140 2.924 0.10 0.00 H new ATOM 0 HD2 PRO A 4 -23.100 7.686 5.123 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -24.714 7.672 4.440 1.00 0.00 H new ATOM 59 N ALA A 5 -21.016 5.446 2.791 0.08 0.00 N ATOM 60 CA ALA A 5 -19.701 4.879 2.509 0.66 0.00 C ATOM 61 C ALA A 5 -19.729 3.361 2.621 0.42 0.00 C ATOM 62 O ALA A 5 -19.027 2.665 1.888 0.07 0.00 O ATOM 63 CB ALA A 5 -18.656 5.456 3.451 0.43 0.00 C ATOM 0 H ALA A 5 -21.059 6.016 3.636 0.08 0.00 H new ATOM 0 HA ALA A 5 -19.433 5.144 1.486 0.66 0.00 H new ATOM 0 HB1 ALA A 5 -17.683 5.021 3.225 0.43 0.00 H new ATOM 0 HB2 ALA A 5 -18.609 6.537 3.323 0.43 0.00 H new ATOM 0 HB3 ALA A 5 -18.927 5.224 4.481 0.43 0.00 H new ATOM 69 N ARG A 6 -20.539 2.853 3.542 0.41 0.00 N ATOM 70 CA ARG A 6 -20.652 1.414 3.751 0.37 0.00 C ATOM 71 C ARG A 6 -21.169 0.715 2.496 0.78 0.00 C ATOM 72 O ARG A 6 -20.553 -0.230 2.006 1.00 0.00 O ATOM 73 CB ARG A 6 -21.572 1.120 4.939 0.17 0.00 C ATOM 74 CG ARG A 6 -21.026 1.623 6.266 0.56 0.00 C ATOM 75 CD ARG A 6 -21.935 1.245 7.426 1.00 0.00 C ATOM 76 NE ARG A 6 -22.058 -0.203 7.575 1.00 0.00 N ATOM 77 CZ ARG A 6 -22.541 -0.793 8.665 0.73 0.00 C ATOM 78 NH1 ARG A 6 -22.933 -0.063 9.700 0.19 0.00 N ATOM 79 NH2 ARG A 6 -22.629 -2.114 8.720 0.07 0.00 N ATOM 0 H ARG A 6 -21.127 3.416 4.156 0.41 0.00 H new ATOM 0 HA ARG A 6 -19.657 1.025 3.970 0.37 0.00 H new ATOM 0 HB2 ARG A 6 -22.544 1.578 4.758 0.17 0.00 H new ATOM 0 HB3 ARG A 6 -21.734 0.044 5.006 0.17 0.00 H new ATOM 0 HG2 ARG A 6 -20.032 1.208 6.432 0.56 0.00 H new ATOM 0 HG3 ARG A 6 -20.916 2.707 6.227 0.56 0.00 H new ATOM 0 HD2 ARG A 6 -21.542 1.672 8.349 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -22.923 1.679 7.269 1.00 0.00 H new ATOM 0 HE ARG A 6 -21.757 -0.794 6.800 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -22.865 0.954 9.662 0.19 0.00 H new ATOM 0 HH12 ARG A 6 -23.303 -0.518 10.534 0.19 0.00 H new ATOM 0 HH21 ARG A 6 -22.326 -2.679 7.926 0.07 0.00 H new ATOM 0 HH22 ARG A 6 -22.999 -2.566 9.556 0.07 0.00 H new ATOM 93 N ARG A 7 -22.296 1.188 1.975 0.98 0.00 N ATOM 94 CA ARG A 7 -22.893 0.601 0.781 0.37 0.00 C ATOM 95 C ARG A 7 -22.050 0.888 -0.462 0.66 0.00 C ATOM 96 O ARG A 7 -21.889 0.024 -1.324 0.64 0.00 O ATOM 97 CB ARG A 7 -24.312 1.141 0.588 0.26 0.00 C ATOM 98 CG ARG A 7 -25.238 0.844 1.756 0.11 0.00 C ATOM 99 CD ARG A 7 -26.624 1.430 1.537 0.23 0.00 C ATOM 100 NE ARG A 7 -27.524 1.133 2.648 0.11 0.00 N ATOM 101 CZ ARG A 7 -28.692 1.741 2.838 0.07 0.00 C ATOM 102 NH1 ARG A 7 -29.101 2.678 1.994 0.38 0.00 N ATOM 103 NH2 ARG A 7 -29.449 1.410 3.875 1.00 0.00 N ATOM 0 H ARG A 7 -22.815 1.977 2.361 0.98 0.00 H new ATOM 0 HA ARG A 7 -22.931 -0.480 0.919 0.37 0.00 H new ATOM 0 HB2 ARG A 7 -24.264 2.220 0.438 0.26 0.00 H new ATOM 0 HB3 ARG A 7 -24.736 0.711 -0.320 0.26 0.00 H new ATOM 0 HG2 ARG A 7 -25.316 -0.234 1.893 0.11 0.00 H new ATOM 0 HG3 ARG A 7 -24.811 1.252 2.672 0.11 0.00 H new ATOM 0 HD2 ARG A 7 -26.546 2.510 1.412 0.23 0.00 H new ATOM 0 HD3 ARG A 7 -27.044 1.032 0.613 0.23 0.00 H new ATOM 0 HE ARG A 7 -27.241 0.418 3.317 0.11 0.00 H new ATOM 0 HH11 ARG A 7 -28.520 2.935 1.196 0.38 0.00 H new ATOM 0 HH12 ARG A 7 -29.997 3.142 2.142 0.38 0.00 H new ATOM 0 HH21 ARG A 7 -29.136 0.690 4.526 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -30.345 1.875 4.022 1.00 0.00 H new ATOM 117 N ARG A 8 -21.516 2.101 -0.545 1.00 0.00 N ATOM 118 CA ARG A 8 -20.691 2.504 -1.683 1.00 0.00 C ATOM 119 C ARG A 8 -19.455 1.618 -1.815 1.00 0.00 C ATOM 120 O ARG A 8 -19.099 1.193 -2.915 0.26 0.00 O ATOM 121 CB ARG A 8 -20.265 3.969 -1.533 0.28 0.00 C ATOM 122 CG ARG A 8 -19.378 4.477 -2.662 1.00 0.00 C ATOM 123 CD ARG A 8 -20.171 4.724 -3.937 0.34 0.00 C ATOM 124 NE ARG A 8 -20.619 3.480 -4.558 0.26 0.00 N ATOM 125 CZ ARG A 8 -21.464 3.429 -5.583 0.83 0.00 C ATOM 126 NH1 ARG A 8 -21.948 4.549 -6.104 0.11 0.00 N ATOM 127 NH2 ARG A 8 -21.827 2.258 -6.087 0.14 0.00 N ATOM 0 H ARG A 8 -21.639 2.825 0.162 1.00 0.00 H new ATOM 0 HA ARG A 8 -21.290 2.390 -2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -21.158 4.592 -1.478 0.28 0.00 H new ATOM 0 HB3 ARG A 8 -19.735 4.087 -0.588 0.28 0.00 H new ATOM 0 HG2 ARG A 8 -18.890 5.401 -2.353 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -18.589 3.751 -2.859 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -21.036 5.347 -3.710 0.34 0.00 H new ATOM 0 HD3 ARG A 8 -19.555 5.280 -4.644 0.34 0.00 H new ATOM 0 HE ARG A 8 -20.263 2.600 -4.184 0.26 0.00 H new ATOM 0 HH11 ARG A 8 -21.672 5.452 -5.718 0.11 0.00 H new ATOM 0 HH12 ARG A 8 -22.596 4.507 -6.890 0.11 0.00 H new ATOM 0 HH21 ARG A 8 -21.458 1.395 -5.688 0.14 0.00 H new ATOM 0 HH22 ARG A 8 -22.475 2.220 -6.873 0.14 0.00 H new ATOM 141 N LEU A 9 -18.807 1.343 -0.688 0.52 0.00 N ATOM 142 CA LEU A 9 -17.606 0.519 -0.672 0.09 0.00 C ATOM 143 C LEU A 9 -17.939 -0.949 -0.935 0.34 0.00 C ATOM 144 O LEU A 9 -17.175 -1.658 -1.589 0.42 0.00 O ATOM 145 CB LEU A 9 -16.874 0.695 0.667 1.00 0.00 C ATOM 146 CG LEU A 9 -16.697 -0.568 1.513 0.35 0.00 C ATOM 147 CD1 LEU A 9 -15.453 -1.327 1.081 0.39 0.00 C ATOM 148 CD2 LEU A 9 -16.616 -0.208 2.990 0.87 0.00 C ATOM 0 H LEU A 9 -19.096 1.681 0.230 0.52 0.00 H new ATOM 0 HA LEU A 9 -16.946 0.846 -1.475 0.09 0.00 H new ATOM 0 HB2 LEU A 9 -15.888 1.113 0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -17.417 1.431 1.260 1.00 0.00 H new ATOM 0 HG LEU A 9 -17.563 -1.212 1.360 0.35 0.00 H new ATOM 0 HD11 LEU A 9 -15.342 -2.222 1.693 0.39 0.00 H new ATOM 0 HD12 LEU A 9 -15.547 -1.613 0.033 0.39 0.00 H new ATOM 0 HD13 LEU A 9 -14.577 -0.691 1.207 0.39 0.00 H new ATOM 0 HD21 LEU A 9 -16.490 -1.116 3.579 0.87 0.00 H new ATOM 0 HD22 LEU A 9 -15.766 0.454 3.157 0.87 0.00 H new ATOM 0 HD23 LEU A 9 -17.534 0.297 3.292 0.87 0.00 H new ATOM 160 N MET A 10 -19.080 -1.401 -0.420 0.24 0.00 N ATOM 161 CA MET A 10 -19.505 -2.784 -0.611 0.13 0.00 C ATOM 162 C MET A 10 -19.603 -3.119 -2.096 0.21 0.00 C ATOM 163 O MET A 10 -19.229 -4.211 -2.522 0.72 0.00 O ATOM 164 CB MET A 10 -20.852 -3.032 0.070 0.66 0.00 C ATOM 165 CG MET A 10 -20.748 -3.218 1.574 0.26 0.00 C ATOM 166 SD MET A 10 -22.361 -3.353 2.371 0.05 0.00 S ATOM 167 CE MET A 10 -21.878 -3.542 4.085 0.99 0.00 C ATOM 0 H MET A 10 -19.724 -0.832 0.130 0.24 0.00 H new ATOM 0 HA MET A 10 -18.756 -3.432 -0.156 0.13 0.00 H new ATOM 0 HB2 MET A 10 -21.515 -2.193 -0.139 0.66 0.00 H new ATOM 0 HB3 MET A 10 -21.313 -3.918 -0.366 0.66 0.00 H new ATOM 0 HG2 MET A 10 -20.166 -4.115 1.786 0.26 0.00 H new ATOM 0 HG3 MET A 10 -20.204 -2.377 2.003 0.26 0.00 H new ATOM 0 HE1 MET A 10 -22.769 -3.638 4.706 0.99 0.00 H new ATOM 0 HE2 MET A 10 -21.263 -4.435 4.193 0.99 0.00 H new ATOM 0 HE3 MET A 10 -21.308 -2.668 4.401 0.99 0.00 H new ATOM 177 N ARG A 11 -20.102 -2.168 -2.882 0.28 0.00 N ATOM 178 CA ARG A 11 -20.242 -2.360 -4.320 0.13 0.00 C ATOM 179 C ARG A 11 -18.888 -2.636 -4.964 0.83 0.00 C ATOM 180 O ARG A 11 -18.801 -3.336 -5.972 0.52 0.00 O ATOM 181 CB ARG A 11 -20.886 -1.130 -4.963 0.32 0.00 C ATOM 182 CG ARG A 11 -22.292 -0.840 -4.460 1.00 0.00 C ATOM 183 CD ARG A 11 -23.259 -1.960 -4.815 0.43 0.00 C ATOM 184 NE ARG A 11 -23.406 -2.119 -6.259 1.00 0.00 N ATOM 185 CZ ARG A 11 -24.184 -3.040 -6.821 1.00 0.00 C ATOM 186 NH1 ARG A 11 -24.875 -3.881 -6.064 0.23 0.00 N ATOM 187 NH2 ARG A 11 -24.270 -3.122 -8.143 0.06 0.00 N ATOM 0 H ARG A 11 -20.416 -1.257 -2.546 0.28 0.00 H new ATOM 0 HA ARG A 11 -20.887 -3.223 -4.485 0.13 0.00 H new ATOM 0 HB2 ARG A 11 -20.256 -0.261 -4.774 0.32 0.00 H new ATOM 0 HB3 ARG A 11 -20.918 -1.271 -6.043 0.32 0.00 H new ATOM 0 HG2 ARG A 11 -22.271 -0.706 -3.378 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -22.646 0.097 -4.890 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -22.905 -2.895 -4.382 0.43 0.00 H new ATOM 0 HD3 ARG A 11 -24.233 -1.752 -4.372 0.43 0.00 H new ATOM 0 HE ARG A 11 -22.884 -1.490 -6.869 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -24.811 -3.823 -5.048 0.23 0.00 H new ATOM 0 HH12 ARG A 11 -25.471 -4.586 -6.498 0.23 0.00 H new ATOM 0 HH21 ARG A 11 -23.739 -2.478 -8.730 0.06 0.00 H new ATOM 0 HH22 ARG A 11 -24.867 -3.829 -8.572 0.06 0.00 H new ATOM 201 N ASP A 12 -17.835 -2.079 -4.375 0.17 0.00 N ATOM 202 CA ASP A 12 -16.484 -2.269 -4.890 0.16 0.00 C ATOM 203 C ASP A 12 -16.011 -3.701 -4.653 0.21 0.00 C ATOM 204 O ASP A 12 -15.228 -4.243 -5.434 0.51 0.00 O ATOM 205 CB ASP A 12 -15.518 -1.284 -4.232 1.00 0.00 C ATOM 206 CG ASP A 12 -15.853 0.159 -4.557 0.48 0.00 C ATOM 207 OD1 ASP A 12 -15.438 0.639 -5.632 0.13 0.00 O ATOM 208 OD2 ASP A 12 -16.533 0.809 -3.736 1.00 0.00 O ATOM 0 H ASP A 12 -17.891 -1.493 -3.542 0.17 0.00 H new ATOM 0 HA ASP A 12 -16.502 -2.082 -5.964 0.16 0.00 H new ATOM 0 HB2 ASP A 12 -15.540 -1.425 -3.151 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -14.502 -1.501 -4.561 1.00 0.00 H new ATOM 213 N PHE A 13 -16.495 -4.306 -3.573 1.00 0.00 N ATOM 214 CA PHE A 13 -16.123 -5.676 -3.232 0.38 0.00 C ATOM 215 C PHE A 13 -16.573 -6.651 -4.314 0.06 0.00 C ATOM 216 O PHE A 13 -15.793 -7.494 -4.761 0.86 0.00 O ATOM 217 CB PHE A 13 -16.728 -6.073 -1.882 0.05 0.00 C ATOM 218 CG PHE A 13 -16.571 -7.531 -1.554 1.00 0.00 C ATOM 219 CD1 PHE A 13 -15.316 -8.121 -1.531 0.13 0.00 C ATOM 220 CD2 PHE A 13 -17.679 -8.313 -1.270 0.94 0.00 C ATOM 221 CE1 PHE A 13 -15.171 -9.462 -1.230 0.46 0.00 C ATOM 222 CE2 PHE A 13 -17.539 -9.655 -0.968 0.18 0.00 C ATOM 223 CZ PHE A 13 -16.283 -10.231 -0.949 0.14 0.00 C ATOM 0 H PHE A 13 -17.145 -3.870 -2.919 1.00 0.00 H new ATOM 0 HA PHE A 13 -15.036 -5.722 -3.161 0.38 0.00 H new ATOM 0 HB2 PHE A 13 -16.260 -5.481 -1.096 0.05 0.00 H new ATOM 0 HB3 PHE A 13 -17.789 -5.822 -1.881 0.05 0.00 H new ATOM 0 HD1 PHE A 13 -14.442 -7.526 -1.751 0.13 0.00 H new ATOM 0 HD2 PHE A 13 -18.663 -7.869 -1.285 0.94 0.00 H new ATOM 0 HE1 PHE A 13 -14.188 -9.909 -1.215 0.46 0.00 H new ATOM 0 HE2 PHE A 13 -18.411 -10.253 -0.747 0.18 0.00 H new ATOM 0 HZ PHE A 13 -16.171 -11.279 -0.715 0.14 0.00 H new ATOM 233 N LYS A 14 -17.832 -6.539 -4.729 0.08 0.00 N ATOM 234 CA LYS A 14 -18.369 -7.419 -5.767 1.00 0.00 C ATOM 235 C LYS A 14 -17.502 -7.340 -7.013 0.10 0.00 C ATOM 236 O LYS A 14 -17.225 -8.352 -7.659 0.33 0.00 O ATOM 237 CB LYS A 14 -19.811 -7.042 -6.135 0.23 0.00 C ATOM 238 CG LYS A 14 -20.467 -6.058 -5.182 0.21 0.00 C ATOM 239 CD LYS A 14 -20.815 -6.713 -3.855 0.63 0.00 C ATOM 240 CE LYS A 14 -21.774 -5.857 -3.044 1.00 0.00 C ATOM 241 NZ LYS A 14 -22.138 -6.505 -1.753 1.00 0.00 N ATOM 0 H LYS A 14 -18.496 -5.854 -4.367 0.08 0.00 H new ATOM 0 HA LYS A 14 -18.367 -8.435 -5.372 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -19.817 -6.616 -7.138 0.23 0.00 H new ATOM 0 HB3 LYS A 14 -20.413 -7.950 -6.171 0.23 0.00 H new ATOM 0 HG2 LYS A 14 -19.796 -5.216 -5.008 0.21 0.00 H new ATOM 0 HG3 LYS A 14 -21.372 -5.656 -5.639 0.21 0.00 H new ATOM 0 HD2 LYS A 14 -21.263 -7.690 -4.037 0.63 0.00 H new ATOM 0 HD3 LYS A 14 -19.903 -6.882 -3.282 0.63 0.00 H new ATOM 0 HE2 LYS A 14 -21.318 -4.887 -2.848 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -22.677 -5.673 -3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -22.793 -5.891 -1.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -22.596 -7.420 -1.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -21.279 -6.658 -1.187 1.00 0.00 H new ATOM 255 N ARG A 15 -17.074 -6.126 -7.340 0.07 0.00 N ATOM 256 CA ARG A 15 -16.242 -5.896 -8.510 0.07 0.00 C ATOM 257 C ARG A 15 -14.899 -6.610 -8.376 0.39 0.00 C ATOM 258 O ARG A 15 -14.314 -7.041 -9.370 0.29 0.00 O ATOM 259 CB ARG A 15 -16.016 -4.398 -8.711 1.00 0.00 C ATOM 260 CG ARG A 15 -15.197 -4.065 -9.948 0.70 0.00 C ATOM 261 CD ARG A 15 -14.970 -2.568 -10.078 0.13 0.00 C ATOM 262 NE ARG A 15 -14.209 -2.230 -11.277 0.11 0.00 N ATOM 263 CZ ARG A 15 -14.233 -1.031 -11.851 0.17 0.00 C ATOM 264 NH1 ARG A 15 -14.983 -0.064 -11.341 0.11 0.00 N ATOM 265 NH2 ARG A 15 -13.509 -0.799 -12.938 1.00 0.00 N ATOM 0 H ARG A 15 -17.292 -5.284 -6.807 0.07 0.00 H new ATOM 0 HA ARG A 15 -16.762 -6.301 -9.379 0.07 0.00 H new ATOM 0 HB2 ARG A 15 -16.983 -3.900 -8.781 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -15.512 -3.994 -7.833 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -14.236 -4.577 -9.898 0.70 0.00 H new ATOM 0 HG3 ARG A 15 -15.710 -4.435 -10.836 0.70 0.00 H new ATOM 0 HD2 ARG A 15 -15.932 -2.057 -10.104 0.13 0.00 H new ATOM 0 HD3 ARG A 15 -14.439 -2.204 -9.198 0.13 0.00 H new ATOM 0 HE ARG A 15 -13.626 -2.954 -11.698 0.11 0.00 H new ATOM 0 HH11 ARG A 15 -15.543 -0.239 -10.507 0.11 0.00 H new ATOM 0 HH12 ARG A 15 -15.000 0.855 -11.783 0.11 0.00 H new ATOM 0 HH21 ARG A 15 -12.933 -1.541 -13.335 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.529 0.121 -13.377 1.00 0.00 H new ATOM 279 N LEU A 16 -14.418 -6.730 -7.141 1.00 0.00 N ATOM 280 CA LEU A 16 -13.142 -7.386 -6.882 0.98 0.00 C ATOM 281 C LEU A 16 -13.222 -8.877 -7.196 1.00 0.00 C ATOM 282 O LEU A 16 -12.304 -9.447 -7.785 0.65 0.00 O ATOM 283 CB LEU A 16 -12.724 -7.181 -5.421 1.00 0.00 C ATOM 284 CG LEU A 16 -11.229 -6.933 -5.193 1.00 0.00 C ATOM 285 CD1 LEU A 16 -10.401 -8.101 -5.704 0.15 0.00 C ATOM 286 CD2 LEU A 16 -10.797 -5.634 -5.857 1.00 0.00 C ATOM 0 H LEU A 16 -14.892 -6.382 -6.307 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.393 -6.936 -7.533 0.98 0.00 H new ATOM 0 HB2 LEU A 16 -13.281 -6.336 -5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.020 -8.060 -4.849 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.058 -6.844 -4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.344 -7.901 -5.531 0.15 0.00 H new ATOM 0 HD12 LEU A 16 -10.690 -9.010 -5.176 0.15 0.00 H new ATOM 0 HD13 LEU A 16 -10.575 -8.231 -6.772 0.15 0.00 H new ATOM 0 HD21 LEU A 16 -9.733 -5.474 -5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.986 -5.693 -6.929 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.362 -4.804 -5.434 1.00 0.00 H new ATOM 298 N GLN A 17 -14.326 -9.504 -6.800 0.15 0.00 N ATOM 299 CA GLN A 17 -14.528 -10.925 -7.037 1.00 0.00 C ATOM 300 C GLN A 17 -14.718 -11.216 -8.523 0.11 0.00 C ATOM 301 O GLN A 17 -14.214 -12.214 -9.039 0.08 0.00 O ATOM 302 CB GLN A 17 -15.739 -11.415 -6.248 0.59 0.00 C ATOM 303 CG GLN A 17 -15.555 -11.352 -4.739 0.13 0.00 C ATOM 304 CD GLN A 17 -14.407 -12.216 -4.254 0.35 0.00 C ATOM 305 OE1 GLN A 17 -14.587 -13.394 -3.944 0.21 0.00 O ATOM 306 NE2 GLN A 17 -13.216 -11.631 -4.182 0.11 0.00 N ATOM 0 H GLN A 17 -15.096 -9.046 -6.312 0.15 0.00 H new ATOM 0 HA GLN A 17 -13.638 -11.456 -6.701 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -16.607 -10.817 -6.524 0.59 0.00 H new ATOM 0 HB3 GLN A 17 -15.956 -12.444 -6.536 0.59 0.00 H new ATOM 0 HG2 GLN A 17 -15.378 -10.319 -4.441 0.13 0.00 H new ATOM 0 HG3 GLN A 17 -16.476 -11.671 -4.251 0.13 0.00 H new ATOM 0 HE21 GLN A 17 -13.112 -10.652 -4.449 0.11 0.00 H new ATOM 0 HE22 GLN A 17 -12.406 -12.161 -3.860 0.11 0.00 H new ATOM 315 N GLU A 18 -15.448 -10.339 -9.207 0.21 0.00 N ATOM 316 CA GLU A 18 -15.709 -10.504 -10.635 1.00 0.00 C ATOM 317 C GLU A 18 -14.431 -10.347 -11.449 0.17 0.00 C ATOM 318 O GLU A 18 -14.246 -11.017 -12.466 1.00 0.00 O ATOM 319 CB GLU A 18 -16.753 -9.490 -11.106 0.31 0.00 C ATOM 320 CG GLU A 18 -18.096 -9.633 -10.410 0.07 0.00 C ATOM 321 CD GLU A 18 -18.785 -10.943 -10.736 1.00 0.00 C ATOM 322 OE1 GLU A 18 -18.506 -11.947 -10.046 1.00 0.00 O ATOM 323 OE2 GLU A 18 -19.605 -10.966 -11.677 0.16 0.00 O ATOM 0 H GLU A 18 -15.870 -9.506 -8.796 0.21 0.00 H new ATOM 0 HA GLU A 18 -16.093 -11.512 -10.790 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -16.371 -8.483 -10.938 0.31 0.00 H new ATOM 0 HB3 GLU A 18 -16.896 -9.601 -12.181 0.31 0.00 H new ATOM 0 HG2 GLU A 18 -17.952 -9.561 -9.332 0.07 0.00 H new ATOM 0 HG3 GLU A 18 -18.742 -8.805 -10.701 0.07 0.00 H new ATOM 330 N ASP A 19 -13.553 -9.458 -10.999 0.21 0.00 N ATOM 331 CA ASP A 19 -12.293 -9.212 -11.690 1.00 0.00 C ATOM 332 C ASP A 19 -11.306 -8.477 -10.783 0.13 0.00 C ATOM 333 O ASP A 19 -11.270 -7.247 -10.764 1.00 0.00 O ATOM 334 CB ASP A 19 -12.536 -8.399 -12.962 0.06 0.00 C ATOM 335 CG ASP A 19 -11.258 -8.137 -13.734 1.00 0.00 C ATOM 336 OD1 ASP A 19 -10.598 -7.113 -13.460 0.12 0.00 O ATOM 337 OD2 ASP A 19 -10.916 -8.957 -14.613 1.00 0.00 O ATOM 0 H ASP A 19 -13.690 -8.896 -10.159 0.21 0.00 H new ATOM 0 HA ASP A 19 -11.862 -10.176 -11.959 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -13.240 -8.931 -13.601 0.06 0.00 H new ATOM 0 HB3 ASP A 19 -13.000 -7.448 -12.699 0.06 0.00 H new ATOM 342 N PRO A 20 -10.495 -9.224 -10.010 1.00 0.00 N ATOM 343 CA PRO A 20 -9.505 -8.630 -9.102 0.10 0.00 C ATOM 344 C PRO A 20 -8.402 -7.889 -9.856 1.00 0.00 C ATOM 345 O PRO A 20 -8.153 -8.171 -11.027 0.18 0.00 O ATOM 346 CB PRO A 20 -8.928 -9.838 -8.358 0.26 0.00 C ATOM 347 CG PRO A 20 -9.180 -10.997 -9.260 0.13 0.00 C ATOM 348 CD PRO A 20 -10.476 -10.697 -9.956 0.49 0.00 C ATOM 0 HA PRO A 20 -9.952 -7.885 -8.444 0.10 0.00 H new ATOM 0 HB2 PRO A 20 -7.863 -9.712 -8.165 0.26 0.00 H new ATOM 0 HB3 PRO A 20 -9.413 -9.976 -7.392 0.26 0.00 H new ATOM 0 HG2 PRO A 20 -8.369 -11.118 -9.978 0.13 0.00 H new ATOM 0 HG3 PRO A 20 -9.246 -11.926 -8.694 0.13 0.00 H new ATOM 0 HD2 PRO A 20 -10.509 -11.137 -10.953 0.49 0.00 H new ATOM 0 HD3 PRO A 20 -11.330 -11.091 -9.405 0.49 0.00 H new ATOM 356 N PRO A 21 -7.724 -6.931 -9.194 0.06 0.00 N ATOM 357 CA PRO A 21 -6.645 -6.159 -9.822 0.11 0.00 C ATOM 358 C PRO A 21 -5.506 -7.053 -10.303 0.09 0.00 C ATOM 359 O PRO A 21 -5.299 -8.145 -9.776 0.09 0.00 O ATOM 360 CB PRO A 21 -6.159 -5.224 -8.707 0.27 0.00 C ATOM 361 CG PRO A 21 -6.665 -5.826 -7.440 0.29 0.00 C ATOM 362 CD PRO A 21 -7.945 -6.525 -7.793 0.92 0.00 C ATOM 0 HA PRO A 21 -6.992 -5.628 -10.709 0.11 0.00 H new ATOM 0 HB2 PRO A 21 -5.071 -5.151 -8.701 0.27 0.00 H new ATOM 0 HB3 PRO A 21 -6.545 -4.214 -8.844 0.27 0.00 H new ATOM 0 HG2 PRO A 21 -5.940 -6.526 -7.025 0.29 0.00 H new ATOM 0 HG3 PRO A 21 -6.836 -5.059 -6.685 0.29 0.00 H new ATOM 0 HD2 PRO A 21 -8.127 -7.384 -7.147 0.92 0.00 H new ATOM 0 HD3 PRO A 21 -8.806 -5.864 -7.695 0.92 0.00 H new ATOM 370 N VAL A 22 -4.775 -6.584 -11.309 0.06 0.00 N ATOM 371 CA VAL A 22 -3.660 -7.344 -11.861 0.12 0.00 C ATOM 372 C VAL A 22 -2.360 -7.010 -11.138 0.09 0.00 C ATOM 373 O VAL A 22 -2.080 -5.847 -10.848 0.26 0.00 O ATOM 374 CB VAL A 22 -3.482 -7.075 -13.367 1.00 0.00 C ATOM 375 CG1 VAL A 22 -2.404 -7.978 -13.949 1.00 0.00 C ATOM 376 CG2 VAL A 22 -4.800 -7.262 -14.104 0.86 0.00 C ATOM 0 H VAL A 22 -4.935 -5.682 -11.758 0.06 0.00 H new ATOM 0 HA VAL A 22 -3.895 -8.399 -11.717 0.12 0.00 H new ATOM 0 HB VAL A 22 -3.164 -6.040 -13.496 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.293 -7.773 -15.014 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.458 -7.788 -13.442 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.688 -9.021 -13.808 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.654 -7.067 -15.166 0.86 0.00 H new ATOM 0 HG22 VAL A 22 -5.151 -8.285 -13.967 0.86 0.00 H new ATOM 0 HG23 VAL A 22 -5.541 -6.568 -13.707 0.86 0.00 H new ATOM 386 N GLY A 23 -1.569 -8.039 -10.848 0.29 0.00 N ATOM 387 CA GLY A 23 -0.310 -7.835 -10.157 0.07 0.00 C ATOM 388 C GLY A 23 -0.480 -7.781 -8.651 0.15 0.00 C ATOM 389 O GLY A 23 0.466 -8.028 -7.904 0.07 0.00 O ATOM 0 H GLY A 23 -1.778 -9.010 -11.080 0.29 0.00 H new ATOM 0 HA2 GLY A 23 0.377 -8.641 -10.414 0.07 0.00 H new ATOM 0 HA3 GLY A 23 0.145 -6.906 -10.502 0.07 0.00 H new ATOM 393 N VAL A 24 -1.691 -7.457 -8.209 0.29 0.00 N ATOM 394 CA VAL A 24 -1.992 -7.370 -6.784 0.26 0.00 C ATOM 395 C VAL A 24 -3.366 -7.955 -6.474 1.00 0.00 C ATOM 396 O VAL A 24 -4.159 -8.213 -7.378 0.12 0.00 O ATOM 397 CB VAL A 24 -1.941 -5.913 -6.288 0.08 0.00 C ATOM 398 CG1 VAL A 24 -0.517 -5.382 -6.331 1.00 0.00 C ATOM 399 CG2 VAL A 24 -2.869 -5.035 -7.115 1.00 0.00 C ATOM 0 H VAL A 24 -2.482 -7.250 -8.819 0.29 0.00 H new ATOM 0 HA VAL A 24 -1.230 -7.950 -6.264 0.26 0.00 H new ATOM 0 HB VAL A 24 -2.281 -5.890 -5.253 0.08 0.00 H new ATOM 0 HG11 VAL A 24 -0.502 -4.351 -5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.119 -5.994 -5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.146 -5.419 -7.355 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.820 -4.009 -6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.561 -5.064 -8.160 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.891 -5.403 -7.028 1.00 0.00 H new ATOM 409 N SER A 25 -3.640 -8.156 -5.190 0.35 0.00 N ATOM 410 CA SER A 25 -4.919 -8.711 -4.757 1.00 0.00 C ATOM 411 C SER A 25 -5.337 -8.128 -3.413 1.00 0.00 C ATOM 412 O SER A 25 -4.533 -8.047 -2.489 0.22 0.00 O ATOM 413 CB SER A 25 -4.823 -10.234 -4.650 0.13 0.00 C ATOM 414 OG SER A 25 -3.803 -10.620 -3.748 0.25 0.00 O ATOM 0 H SER A 25 -2.994 -7.943 -4.430 0.35 0.00 H new ATOM 0 HA SER A 25 -5.672 -8.447 -5.500 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.779 -10.639 -4.317 0.13 0.00 H new ATOM 0 HB3 SER A 25 -4.622 -10.658 -5.634 0.13 0.00 H new ATOM 0 HG SER A 25 -3.711 -9.940 -3.048 0.25 0.00 H new ATOM 420 N GLY A 26 -6.599 -7.723 -3.309 0.21 0.00 N ATOM 421 CA GLY A 26 -7.093 -7.158 -2.065 0.34 0.00 C ATOM 422 C GLY A 26 -8.531 -7.543 -1.781 0.27 0.00 C ATOM 423 O GLY A 26 -9.449 -7.100 -2.472 0.17 0.00 O ATOM 0 H GLY A 26 -7.287 -7.775 -4.061 0.21 0.00 H new ATOM 0 HA2 GLY A 26 -6.462 -7.493 -1.242 0.34 0.00 H new ATOM 0 HA3 GLY A 26 -7.013 -6.072 -2.106 0.34 0.00 H new ATOM 427 N ALA A 27 -8.729 -8.367 -0.757 0.65 0.00 N ATOM 428 CA ALA A 27 -10.064 -8.815 -0.378 0.88 0.00 C ATOM 429 C ALA A 27 -10.087 -9.289 1.074 1.00 0.00 C ATOM 430 O ALA A 27 -9.060 -9.707 1.610 0.18 0.00 O ATOM 431 CB ALA A 27 -10.530 -9.927 -1.307 0.08 0.00 C ATOM 0 H ALA A 27 -7.980 -8.739 -0.174 0.65 0.00 H new ATOM 0 HA ALA A 27 -10.748 -7.971 -0.470 0.88 0.00 H new ATOM 0 HB1 ALA A 27 -11.528 -10.252 -1.013 0.08 0.00 H new ATOM 0 HB2 ALA A 27 -10.556 -9.558 -2.332 0.08 0.00 H new ATOM 0 HB3 ALA A 27 -9.840 -10.768 -1.242 0.08 0.00 H new ATOM 437 N PRO A 28 -11.260 -9.230 1.735 1.00 0.00 N ATOM 438 CA PRO A 28 -11.396 -9.659 3.131 1.00 0.00 C ATOM 439 C PRO A 28 -11.189 -11.161 3.295 0.16 0.00 C ATOM 440 O PRO A 28 -12.021 -11.963 2.870 0.11 0.00 O ATOM 441 CB PRO A 28 -12.834 -9.274 3.491 1.00 0.00 C ATOM 442 CG PRO A 28 -13.552 -9.205 2.188 0.10 0.00 C ATOM 443 CD PRO A 28 -12.538 -8.746 1.178 1.00 0.00 C ATOM 0 HA PRO A 28 -10.647 -9.194 3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -13.287 -10.013 4.152 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.868 -8.317 4.012 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -13.960 -10.178 1.916 0.10 0.00 H new ATOM 0 HG3 PRO A 28 -14.391 -8.511 2.241 0.10 0.00 H new ATOM 0 HD2 PRO A 28 -12.733 -9.168 0.192 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.543 -7.662 1.067 1.00 0.00 H new ATOM 451 N SER A 29 -10.070 -11.533 3.911 0.16 0.00 N ATOM 452 CA SER A 29 -9.746 -12.940 4.129 1.00 0.00 C ATOM 453 C SER A 29 -10.666 -13.557 5.179 1.00 0.00 C ATOM 454 O SER A 29 -11.418 -14.487 4.891 0.14 0.00 O ATOM 455 CB SER A 29 -8.285 -13.089 4.561 0.07 0.00 C ATOM 456 OG SER A 29 -8.013 -12.325 5.723 1.00 0.00 O ATOM 0 H SER A 29 -9.373 -10.880 4.268 0.16 0.00 H new ATOM 0 HA SER A 29 -9.895 -13.470 3.188 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.065 -14.139 4.754 0.07 0.00 H new ATOM 0 HB3 SER A 29 -7.629 -12.770 3.751 0.07 0.00 H new ATOM 0 HG SER A 29 -7.074 -12.440 5.978 1.00 0.00 H new ATOM 462 N GLU A 30 -10.597 -13.032 6.399 0.38 0.00 N ATOM 463 CA GLU A 30 -11.422 -13.526 7.496 0.06 0.00 C ATOM 464 C GLU A 30 -11.875 -12.374 8.386 0.40 0.00 C ATOM 465 O GLU A 30 -12.972 -12.401 8.945 1.00 0.00 O ATOM 466 CB GLU A 30 -10.650 -14.556 8.322 0.05 0.00 C ATOM 467 CG GLU A 30 -9.358 -14.017 8.915 0.77 0.00 C ATOM 468 CD GLU A 30 -8.593 -15.068 9.694 0.08 0.00 C ATOM 469 OE1 GLU A 30 -8.877 -15.237 10.899 0.20 0.00 O ATOM 470 OE2 GLU A 30 -7.709 -15.723 9.100 0.05 0.00 O ATOM 0 H GLU A 30 -9.977 -12.263 6.653 0.38 0.00 H new ATOM 0 HA GLU A 30 -12.304 -14.006 7.072 0.06 0.00 H new ATOM 0 HB2 GLU A 30 -11.289 -14.914 9.129 0.05 0.00 H new ATOM 0 HB3 GLU A 30 -10.420 -15.416 7.692 0.05 0.00 H new ATOM 0 HG2 GLU A 30 -8.727 -13.633 8.114 0.77 0.00 H new ATOM 0 HG3 GLU A 30 -9.586 -13.177 9.572 0.77 0.00 H new ATOM 477 N ASN A 31 -11.021 -11.365 8.511 1.00 0.00 N ATOM 478 CA ASN A 31 -11.324 -10.195 9.325 1.00 0.00 C ATOM 479 C ASN A 31 -12.536 -9.454 8.772 0.08 0.00 C ATOM 480 O ASN A 31 -12.759 -9.437 7.561 0.12 0.00 O ATOM 481 CB ASN A 31 -10.118 -9.258 9.380 1.00 0.00 C ATOM 482 CG ASN A 31 -8.910 -9.909 10.024 0.05 0.00 C ATOM 483 OD1 ASN A 31 -8.719 -9.828 11.237 0.07 0.00 O ATOM 484 ND2 ASN A 31 -8.084 -10.560 9.211 1.00 0.00 N ATOM 0 H ASN A 31 -10.109 -11.334 8.056 1.00 0.00 H new ATOM 0 HA ASN A 31 -11.555 -10.533 10.335 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.861 -8.941 8.369 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.384 -8.360 9.938 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.253 -11.017 9.587 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.281 -10.602 8.211 1.00 0.00 H new ATOM 491 N ASN A 32 -13.318 -8.859 9.668 0.10 0.00 N ATOM 492 CA ASN A 32 -14.513 -8.113 9.278 0.30 0.00 C ATOM 493 C ASN A 32 -14.211 -7.142 8.138 0.09 0.00 C ATOM 494 O ASN A 32 -13.051 -6.884 7.816 0.28 0.00 O ATOM 495 CB ASN A 32 -15.073 -7.353 10.481 0.28 0.00 C ATOM 496 CG ASN A 32 -16.468 -6.811 10.233 1.00 0.00 C ATOM 497 OD1 ASN A 32 -17.265 -7.549 9.466 0.50 0.00 O flip ATOM 498 ND2 ASN A 32 -16.829 -5.744 10.728 0.94 0.00 N flip ATOM 0 H ASN A 32 -13.146 -8.879 10.673 0.10 0.00 H new ATOM 0 HA ASN A 32 -15.258 -8.827 8.926 0.30 0.00 H new ATOM 0 HB2 ASN A 32 -15.093 -8.015 11.347 0.28 0.00 H new ATOM 0 HB3 ASN A 32 -14.405 -6.527 10.727 0.28 0.00 H new ATOM 0 HD21 ASN A 32 -16.186 -5.209 11.311 0.94 0.00 H new ATOM 0 HD22 ASN A 32 -17.772 -5.395 10.555 0.94 0.00 H new ATOM 505 N ILE A 33 -15.264 -6.600 7.536 0.12 0.00 N ATOM 506 CA ILE A 33 -15.124 -5.664 6.425 0.64 0.00 C ATOM 507 C ILE A 33 -14.294 -4.441 6.816 0.06 0.00 C ATOM 508 O ILE A 33 -13.780 -3.729 5.954 0.12 0.00 O ATOM 509 CB ILE A 33 -16.504 -5.202 5.914 1.00 0.00 C ATOM 510 CG1 ILE A 33 -16.353 -4.378 4.632 0.63 0.00 C ATOM 511 CG2 ILE A 33 -17.225 -4.401 6.990 0.14 0.00 C ATOM 512 CD1 ILE A 33 -17.671 -4.030 3.972 0.86 0.00 C ATOM 0 H ILE A 33 -16.230 -6.794 7.800 0.12 0.00 H new ATOM 0 HA ILE A 33 -14.604 -6.196 5.629 0.64 0.00 H new ATOM 0 HB ILE A 33 -17.103 -6.083 5.683 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -15.819 -3.457 4.864 0.63 0.00 H new ATOM 0 HG13 ILE A 33 -15.738 -4.934 3.924 0.63 0.00 H new ATOM 0 HG21 ILE A 33 -18.197 -4.081 6.615 0.14 0.00 H new ATOM 0 HG22 ILE A 33 -17.363 -5.022 7.875 0.14 0.00 H new ATOM 0 HG23 ILE A 33 -16.631 -3.525 7.251 0.14 0.00 H new ATOM 0 HD11 ILE A 33 -17.484 -3.446 3.071 0.86 0.00 H new ATOM 0 HD12 ILE A 33 -18.199 -4.946 3.708 0.86 0.00 H new ATOM 0 HD13 ILE A 33 -18.281 -3.447 4.662 0.86 0.00 H new ATOM 524 N MET A 34 -14.160 -4.203 8.118 1.00 0.00 N ATOM 525 CA MET A 34 -13.395 -3.061 8.609 1.00 0.00 C ATOM 526 C MET A 34 -11.893 -3.296 8.467 0.45 0.00 C ATOM 527 O MET A 34 -11.086 -2.423 8.786 0.57 0.00 O ATOM 528 CB MET A 34 -13.741 -2.776 10.071 0.14 0.00 C ATOM 529 CG MET A 34 -15.208 -2.449 10.294 1.00 0.00 C ATOM 530 SD MET A 34 -15.554 -1.936 11.987 1.00 0.00 S ATOM 531 CE MET A 34 -14.563 -0.448 12.103 1.00 0.00 C ATOM 0 H MET A 34 -14.570 -4.784 8.850 1.00 0.00 H new ATOM 0 HA MET A 34 -13.664 -2.197 8.002 1.00 0.00 H new ATOM 0 HB2 MET A 34 -13.474 -3.643 10.675 0.14 0.00 H new ATOM 0 HB3 MET A 34 -13.133 -1.943 10.424 0.14 0.00 H new ATOM 0 HG2 MET A 34 -15.508 -1.656 9.609 1.00 0.00 H new ATOM 0 HG3 MET A 34 -15.812 -3.323 10.053 1.00 0.00 H new ATOM 0 HE1 MET A 34 -14.971 0.201 12.878 1.00 0.00 H new ATOM 0 HE2 MET A 34 -13.536 -0.713 12.355 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.578 0.075 11.147 1.00 0.00 H new ATOM 541 N GLN A 35 -11.524 -4.478 7.986 1.00 0.00 N ATOM 542 CA GLN A 35 -10.120 -4.826 7.797 0.14 0.00 C ATOM 543 C GLN A 35 -9.951 -5.751 6.596 0.98 0.00 C ATOM 544 O GLN A 35 -10.442 -6.880 6.597 0.72 0.00 O ATOM 545 CB GLN A 35 -9.565 -5.492 9.057 0.10 0.00 C ATOM 546 CG GLN A 35 -8.062 -5.710 9.018 0.10 0.00 C ATOM 547 CD GLN A 35 -7.515 -6.238 10.330 0.10 0.00 C ATOM 548 OE1 GLN A 35 -7.447 -7.448 10.546 0.20 0.00 O ATOM 549 NE2 GLN A 35 -7.119 -5.330 11.215 0.11 0.00 N ATOM 0 H GLN A 35 -12.179 -5.213 7.719 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.562 -3.909 7.607 0.14 0.00 H new ATOM 0 HB2 GLN A 35 -9.812 -4.877 9.922 0.10 0.00 H new ATOM 0 HB3 GLN A 35 -10.060 -6.453 9.198 0.10 0.00 H new ATOM 0 HG2 GLN A 35 -7.821 -6.412 8.220 0.10 0.00 H new ATOM 0 HG3 GLN A 35 -7.568 -4.769 8.775 0.10 0.00 H new ATOM 0 HE21 GLN A 35 -7.193 -4.337 10.995 0.11 0.00 H new ATOM 0 HE22 GLN A 35 -6.741 -5.626 12.115 0.11 0.00 H new ATOM 558 N TRP A 36 -9.254 -5.263 5.573 0.30 0.00 N ATOM 559 CA TRP A 36 -9.025 -6.045 4.360 0.18 0.00 C ATOM 560 C TRP A 36 -7.559 -6.440 4.225 0.12 0.00 C ATOM 561 O TRP A 36 -6.662 -5.643 4.499 0.33 0.00 O ATOM 562 CB TRP A 36 -9.455 -5.252 3.123 0.27 0.00 C ATOM 563 CG TRP A 36 -10.941 -5.175 2.931 0.15 0.00 C ATOM 564 CD1 TRP A 36 -11.895 -5.110 3.905 0.16 0.00 C ATOM 565 CD2 TRP A 36 -11.641 -5.149 1.680 0.80 0.00 C ATOM 566 NE1 TRP A 36 -13.145 -5.048 3.339 1.00 0.00 N ATOM 567 CE2 TRP A 36 -13.016 -5.070 1.974 0.46 0.00 C ATOM 568 CE3 TRP A 36 -11.240 -5.185 0.342 0.13 0.00 C ATOM 569 CZ2 TRP A 36 -13.989 -5.027 0.980 0.30 0.00 C ATOM 570 CZ3 TRP A 36 -12.207 -5.142 -0.645 0.16 0.00 C ATOM 571 CH2 TRP A 36 -13.567 -5.063 -0.321 0.07 0.00 C ATOM 0 H TRP A 36 -8.838 -4.332 5.559 0.30 0.00 H new ATOM 0 HA TRP A 36 -9.624 -6.952 4.436 0.18 0.00 H new ATOM 0 HB2 TRP A 36 -9.056 -4.240 3.196 0.27 0.00 H new ATOM 0 HB3 TRP A 36 -9.008 -5.708 2.239 0.27 0.00 H new ATOM 0 HD1 TRP A 36 -11.696 -5.108 4.966 0.16 0.00 H new ATOM 0 HE1 TRP A 36 -14.026 -4.994 3.851 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -10.193 -5.245 0.083 0.13 0.00 H new ATOM 0 HZ2 TRP A 36 -15.039 -4.967 1.227 0.30 0.00 H new ATOM 0 HZ3 TRP A 36 -11.909 -5.170 -1.683 0.16 0.00 H new ATOM 0 HH2 TRP A 36 -14.298 -5.030 -1.115 0.07 0.00 H new ATOM 582 N ASN A 37 -7.325 -7.674 3.792 0.06 0.00 N ATOM 583 CA ASN A 37 -5.970 -8.179 3.612 0.14 0.00 C ATOM 584 C ASN A 37 -5.604 -8.210 2.130 0.20 0.00 C ATOM 585 O ASN A 37 -6.305 -8.822 1.324 0.08 0.00 O ATOM 586 CB ASN A 37 -5.843 -9.580 4.211 0.59 0.00 C ATOM 587 CG ASN A 37 -4.426 -10.113 4.141 0.17 0.00 C ATOM 588 OD1 ASN A 37 -3.631 -9.915 5.059 0.98 0.00 O ATOM 589 ND2 ASN A 37 -4.104 -10.794 3.047 0.06 0.00 N ATOM 0 H ASN A 37 -8.058 -8.344 3.559 0.06 0.00 H new ATOM 0 HA ASN A 37 -5.282 -7.510 4.128 0.14 0.00 H new ATOM 0 HB2 ASN A 37 -6.169 -9.558 5.251 0.59 0.00 H new ATOM 0 HB3 ASN A 37 -6.510 -10.260 3.682 0.59 0.00 H new ATOM 0 HD21 ASN A 37 -3.165 -11.177 2.943 0.06 0.00 H new ATOM 0 HD22 ASN A 37 -4.796 -10.934 2.311 0.06 0.00 H new ATOM 596 N ALA A 38 -4.505 -7.549 1.778 1.00 0.00 N ATOM 597 CA ALA A 38 -4.059 -7.502 0.391 0.35 0.00 C ATOM 598 C ALA A 38 -2.609 -7.958 0.250 0.61 0.00 C ATOM 599 O ALA A 38 -1.800 -7.791 1.164 0.80 0.00 O ATOM 600 CB ALA A 38 -4.228 -6.097 -0.168 0.20 0.00 C ATOM 0 H ALA A 38 -3.910 -7.041 2.432 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.679 -8.192 -0.181 0.35 0.00 H new ATOM 0 HB1 ALA A 38 -3.891 -6.075 -1.204 0.20 0.00 H new ATOM 0 HB2 ALA A 38 -5.279 -5.811 -0.121 0.20 0.00 H new ATOM 0 HB3 ALA A 38 -3.635 -5.397 0.421 0.20 0.00 H new ATOM 606 N VAL A 39 -2.292 -8.533 -0.907 0.86 0.00 N ATOM 607 CA VAL A 39 -0.945 -9.018 -1.187 0.08 0.00 C ATOM 608 C VAL A 39 -0.353 -8.307 -2.400 1.00 0.00 C ATOM 609 O VAL A 39 -0.784 -8.532 -3.532 0.08 0.00 O ATOM 610 CB VAL A 39 -0.941 -10.536 -1.456 0.09 0.00 C ATOM 611 CG1 VAL A 39 0.479 -11.077 -1.462 0.47 0.00 C ATOM 612 CG2 VAL A 39 -1.796 -11.264 -0.430 0.44 0.00 C ATOM 0 H VAL A 39 -2.955 -8.675 -1.669 0.86 0.00 H new ATOM 0 HA VAL A 39 -0.341 -8.807 -0.305 0.08 0.00 H new ATOM 0 HB VAL A 39 -1.372 -10.711 -2.442 0.09 0.00 H new ATOM 0 HG11 VAL A 39 0.459 -12.150 -1.654 0.47 0.00 H new ATOM 0 HG12 VAL A 39 1.055 -10.580 -2.243 0.47 0.00 H new ATOM 0 HG13 VAL A 39 0.944 -10.890 -0.494 0.47 0.00 H new ATOM 0 HG21 VAL A 39 -1.780 -12.334 -0.637 0.44 0.00 H new ATOM 0 HG22 VAL A 39 -1.400 -11.082 0.569 0.44 0.00 H new ATOM 0 HG23 VAL A 39 -2.821 -10.899 -0.486 0.44 0.00 H new ATOM 622 N ILE A 40 0.637 -7.453 -2.162 0.18 0.00 N ATOM 623 CA ILE A 40 1.280 -6.713 -3.243 0.11 0.00 C ATOM 624 C ILE A 40 2.644 -7.307 -3.575 0.12 0.00 C ATOM 625 O ILE A 40 3.439 -7.599 -2.682 1.00 0.00 O ATOM 626 CB ILE A 40 1.455 -5.222 -2.885 0.56 0.00 C ATOM 627 CG1 ILE A 40 0.093 -4.575 -2.618 0.06 0.00 C ATOM 628 CG2 ILE A 40 2.189 -4.492 -4.002 0.25 0.00 C ATOM 629 CD1 ILE A 40 0.179 -3.104 -2.263 0.09 0.00 C ATOM 0 H ILE A 40 1.011 -7.256 -1.234 0.18 0.00 H new ATOM 0 HA ILE A 40 0.627 -6.793 -4.112 0.11 0.00 H new ATOM 0 HB ILE A 40 2.053 -5.148 -1.977 0.56 0.00 H new ATOM 0 HG12 ILE A 40 -0.534 -4.691 -3.502 0.06 0.00 H new ATOM 0 HG13 ILE A 40 -0.400 -5.108 -1.805 0.06 0.00 H new ATOM 0 HG21 ILE A 40 2.305 -3.442 -3.735 0.25 0.00 H new ATOM 0 HG22 ILE A 40 3.172 -4.941 -4.145 0.25 0.00 H new ATOM 0 HG23 ILE A 40 1.616 -4.571 -4.926 0.25 0.00 H new ATOM 0 HD11 ILE A 40 -0.823 -2.713 -2.087 0.09 0.00 H new ATOM 0 HD12 ILE A 40 0.779 -2.982 -1.361 0.09 0.00 H new ATOM 0 HD13 ILE A 40 0.643 -2.558 -3.084 0.09 0.00 H new ATOM 641 N PHE A 41 2.906 -7.479 -4.865 0.11 0.00 N ATOM 642 CA PHE A 41 4.176 -8.030 -5.320 0.12 0.00 C ATOM 643 C PHE A 41 5.059 -6.932 -5.901 0.08 0.00 C ATOM 644 O PHE A 41 4.612 -6.140 -6.733 0.07 0.00 O ATOM 645 CB PHE A 41 3.941 -9.123 -6.365 1.00 0.00 C ATOM 646 CG PHE A 41 3.052 -10.236 -5.885 1.00 0.00 C ATOM 647 CD1 PHE A 41 3.343 -10.921 -4.715 0.45 0.00 C ATOM 648 CD2 PHE A 41 1.925 -10.600 -6.607 0.45 0.00 C ATOM 649 CE1 PHE A 41 2.526 -11.946 -4.274 0.11 0.00 C ATOM 650 CE2 PHE A 41 1.106 -11.623 -6.170 0.08 0.00 C ATOM 651 CZ PHE A 41 1.407 -12.296 -5.003 0.16 0.00 C ATOM 0 H PHE A 41 2.255 -7.245 -5.615 0.11 0.00 H new ATOM 0 HA PHE A 41 4.685 -8.469 -4.462 0.12 0.00 H new ATOM 0 HB2 PHE A 41 3.498 -8.674 -7.254 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.902 -9.541 -6.664 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.218 -10.651 -4.142 0.45 0.00 H new ATOM 0 HD2 PHE A 41 1.685 -10.078 -7.521 0.45 0.00 H new ATOM 0 HE1 PHE A 41 2.763 -12.472 -3.361 0.11 0.00 H new ATOM 0 HE2 PHE A 41 0.231 -11.896 -6.741 0.08 0.00 H new ATOM 0 HZ PHE A 41 0.767 -13.096 -4.660 0.16 0.00 H new ATOM 661 N GLY A 42 6.311 -6.887 -5.456 0.09 0.00 N ATOM 662 CA GLY A 42 7.237 -5.879 -5.943 0.07 0.00 C ATOM 663 C GLY A 42 7.417 -5.934 -7.450 0.20 0.00 C ATOM 664 O GLY A 42 7.408 -7.018 -8.033 0.72 0.00 O ATOM 0 H GLY A 42 6.701 -7.530 -4.767 0.09 0.00 H new ATOM 0 HA2 GLY A 42 6.875 -4.891 -5.659 0.07 0.00 H new ATOM 0 HA3 GLY A 42 8.204 -6.015 -5.460 0.07 0.00 H new ATOM 668 N PRO A 43 7.586 -4.773 -8.116 1.00 0.00 N ATOM 669 CA PRO A 43 7.765 -4.720 -9.569 1.00 0.00 C ATOM 670 C PRO A 43 9.127 -5.246 -10.005 0.81 0.00 C ATOM 671 O PRO A 43 10.085 -5.234 -9.231 0.26 0.00 O ATOM 672 CB PRO A 43 7.642 -3.229 -9.884 0.10 0.00 C ATOM 673 CG PRO A 43 8.081 -2.549 -8.636 1.00 0.00 C ATOM 674 CD PRO A 43 7.621 -3.429 -7.507 0.69 0.00 C ATOM 0 HA PRO A 43 7.040 -5.343 -10.093 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.269 -2.949 -10.731 0.10 0.00 H new ATOM 0 HB3 PRO A 43 6.618 -2.961 -10.143 0.10 0.00 H new ATOM 0 HG2 PRO A 43 9.164 -2.424 -8.619 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.644 -1.553 -8.559 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.307 -3.389 -6.661 0.69 0.00 H new ATOM 0 HD3 PRO A 43 6.640 -3.129 -7.137 0.69 0.00 H new ATOM 682 N GLU A 44 9.204 -5.704 -11.248 0.14 0.00 N ATOM 683 CA GLU A 44 10.450 -6.236 -11.793 0.43 0.00 C ATOM 684 C GLU A 44 11.462 -5.119 -12.027 0.79 0.00 C ATOM 685 O GLU A 44 11.220 -4.202 -12.813 0.78 0.00 O ATOM 686 CB GLU A 44 10.178 -6.982 -13.101 0.71 0.00 C ATOM 687 CG GLU A 44 11.421 -7.603 -13.716 0.14 0.00 C ATOM 688 CD GLU A 44 11.113 -8.407 -14.964 1.00 0.00 C ATOM 689 OE1 GLU A 44 11.077 -7.808 -16.061 0.30 0.00 O ATOM 690 OE2 GLU A 44 10.907 -9.632 -14.845 0.07 0.00 O ATOM 0 H GLU A 44 8.419 -5.718 -11.899 0.14 0.00 H new ATOM 0 HA GLU A 44 10.870 -6.932 -11.067 0.43 0.00 H new ATOM 0 HB2 GLU A 44 9.443 -7.766 -12.917 0.71 0.00 H new ATOM 0 HB3 GLU A 44 9.734 -6.291 -13.818 0.71 0.00 H new ATOM 0 HG2 GLU A 44 12.133 -6.815 -13.962 0.14 0.00 H new ATOM 0 HG3 GLU A 44 11.902 -8.249 -12.981 0.14 0.00 H new ATOM 697 N GLY A 45 12.597 -5.203 -11.339 0.22 0.00 N ATOM 698 CA GLY A 45 13.635 -4.195 -11.482 0.12 0.00 C ATOM 699 C GLY A 45 13.886 -3.438 -10.191 0.12 0.00 C ATOM 700 O GLY A 45 14.494 -2.369 -10.201 1.00 0.00 O ATOM 0 H GLY A 45 12.818 -5.953 -10.683 0.22 0.00 H new ATOM 0 HA2 GLY A 45 14.560 -4.673 -11.806 0.12 0.00 H new ATOM 0 HA3 GLY A 45 13.349 -3.491 -12.263 0.12 0.00 H new ATOM 704 N THR A 46 13.414 -3.998 -9.083 0.06 0.00 N ATOM 705 CA THR A 46 13.584 -3.375 -7.775 0.07 0.00 C ATOM 706 C THR A 46 14.106 -4.385 -6.756 0.06 0.00 C ATOM 707 O THR A 46 13.974 -5.591 -6.954 0.88 0.00 O ATOM 708 CB THR A 46 12.254 -2.787 -7.265 0.45 0.00 C ATOM 709 OG1 THR A 46 11.308 -3.840 -7.047 0.81 0.00 O ATOM 710 CG2 THR A 46 11.687 -1.789 -8.261 0.61 0.00 C ATOM 0 H THR A 46 12.909 -4.884 -9.064 0.06 0.00 H new ATOM 0 HA THR A 46 14.310 -2.570 -7.891 0.07 0.00 H new ATOM 0 HB THR A 46 12.446 -2.269 -6.325 0.45 0.00 H new ATOM 0 HG1 THR A 46 11.003 -4.190 -7.910 0.81 0.00 H new ATOM 0 HG21 THR A 46 10.748 -1.387 -7.879 0.61 0.00 H new ATOM 0 HG22 THR A 46 12.398 -0.975 -8.405 0.61 0.00 H new ATOM 0 HG23 THR A 46 11.508 -2.288 -9.214 0.61 0.00 H new ATOM 718 N PRO A 47 14.708 -3.909 -5.646 0.16 0.00 N ATOM 719 CA PRO A 47 15.238 -4.794 -4.604 0.24 0.00 C ATOM 720 C PRO A 47 14.136 -5.558 -3.873 0.08 0.00 C ATOM 721 O PRO A 47 14.406 -6.300 -2.929 0.07 0.00 O ATOM 722 CB PRO A 47 15.957 -3.837 -3.647 1.00 0.00 C ATOM 723 CG PRO A 47 15.310 -2.515 -3.871 0.05 0.00 C ATOM 724 CD PRO A 47 14.924 -2.485 -5.323 1.00 0.00 C ATOM 0 HA PRO A 47 15.888 -5.564 -5.019 0.24 0.00 H new ATOM 0 HB2 PRO A 47 15.850 -4.159 -2.611 1.00 0.00 H new ATOM 0 HB3 PRO A 47 17.025 -3.795 -3.859 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.435 -2.395 -3.232 0.05 0.00 H new ATOM 0 HG3 PRO A 47 15.993 -1.700 -3.632 0.05 0.00 H new ATOM 0 HD2 PRO A 47 14.023 -1.894 -5.488 1.00 0.00 H new ATOM 0 HD3 PRO A 47 15.709 -2.047 -5.939 1.00 0.00 H new ATOM 732 N PHE A 48 12.894 -5.366 -4.313 1.00 0.00 N ATOM 733 CA PHE A 48 11.751 -6.038 -3.703 0.18 0.00 C ATOM 734 C PHE A 48 11.206 -7.128 -4.623 0.32 0.00 C ATOM 735 O PHE A 48 10.325 -7.898 -4.235 0.31 0.00 O ATOM 736 CB PHE A 48 10.645 -5.027 -3.394 1.00 0.00 C ATOM 737 CG PHE A 48 11.146 -3.759 -2.762 1.00 0.00 C ATOM 738 CD1 PHE A 48 11.399 -3.695 -1.400 1.00 0.00 C ATOM 739 CD2 PHE A 48 11.361 -2.628 -3.534 1.00 0.00 C ATOM 740 CE1 PHE A 48 11.859 -2.524 -0.823 0.22 0.00 C ATOM 741 CE2 PHE A 48 11.818 -1.457 -2.962 0.06 0.00 C ATOM 742 CZ PHE A 48 12.067 -1.405 -1.604 0.44 0.00 C ATOM 0 H PHE A 48 12.655 -4.750 -5.090 1.00 0.00 H new ATOM 0 HA PHE A 48 12.087 -6.500 -2.775 0.18 0.00 H new ATOM 0 HB2 PHE A 48 10.122 -4.780 -4.318 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.916 -5.491 -2.729 1.00 0.00 H new ATOM 0 HD1 PHE A 48 11.236 -4.567 -0.784 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.169 -2.663 -4.596 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.055 -2.486 0.238 0.22 0.00 H new ATOM 0 HE2 PHE A 48 11.981 -0.583 -3.575 0.06 0.00 H new ATOM 0 HZ PHE A 48 12.424 -0.490 -1.154 0.44 0.00 H new ATOM 752 N GLU A 49 11.734 -7.188 -5.843 1.00 0.00 N ATOM 753 CA GLU A 49 11.296 -8.179 -6.824 1.00 0.00 C ATOM 754 C GLU A 49 11.587 -9.603 -6.350 0.08 0.00 C ATOM 755 O GLU A 49 10.851 -10.535 -6.675 1.00 0.00 O ATOM 756 CB GLU A 49 11.980 -7.933 -8.172 0.41 0.00 C ATOM 757 CG GLU A 49 13.453 -8.315 -8.193 1.00 0.00 C ATOM 758 CD GLU A 49 14.110 -8.034 -9.530 0.14 0.00 C ATOM 759 OE1 GLU A 49 14.620 -6.909 -9.716 0.08 0.00 O ATOM 760 OE2 GLU A 49 14.114 -8.939 -10.391 0.74 0.00 O ATOM 0 H GLU A 49 12.467 -6.562 -6.177 1.00 0.00 H new ATOM 0 HA GLU A 49 10.218 -8.072 -6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.457 -8.499 -8.943 0.41 0.00 H new ATOM 0 HB3 GLU A 49 11.884 -6.878 -8.430 0.41 0.00 H new ATOM 0 HG2 GLU A 49 13.978 -7.765 -7.412 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.553 -9.375 -7.959 1.00 0.00 H new ATOM 767 N ASP A 50 12.662 -9.765 -5.584 1.00 0.00 N ATOM 768 CA ASP A 50 13.048 -11.078 -5.080 1.00 0.00 C ATOM 769 C ASP A 50 12.300 -11.428 -3.797 1.00 0.00 C ATOM 770 O ASP A 50 12.531 -12.482 -3.205 0.06 0.00 O ATOM 771 CB ASP A 50 14.557 -11.128 -4.831 0.30 0.00 C ATOM 772 CG ASP A 50 15.362 -10.887 -6.094 0.20 0.00 C ATOM 773 OD1 ASP A 50 15.540 -11.846 -6.875 0.09 0.00 O ATOM 774 OD2 ASP A 50 15.812 -9.741 -6.301 0.11 0.00 O ATOM 0 H ASP A 50 13.280 -9.005 -5.299 1.00 0.00 H new ATOM 0 HA ASP A 50 12.781 -11.814 -5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.824 -10.379 -4.085 0.30 0.00 H new ATOM 0 HB3 ASP A 50 14.821 -12.100 -4.415 0.30 0.00 H new ATOM 779 N GLY A 51 11.403 -10.544 -3.372 0.59 0.00 N ATOM 780 CA GLY A 51 10.643 -10.791 -2.158 0.06 0.00 C ATOM 781 C GLY A 51 9.187 -10.381 -2.281 0.75 0.00 C ATOM 782 O GLY A 51 8.758 -9.896 -3.327 0.08 0.00 O ATOM 0 H GLY A 51 11.189 -9.665 -3.843 0.59 0.00 H new ATOM 0 HA2 GLY A 51 10.697 -11.851 -1.910 0.06 0.00 H new ATOM 0 HA3 GLY A 51 11.100 -10.247 -1.332 0.06 0.00 H new ATOM 786 N THR A 52 8.428 -10.582 -1.206 0.72 0.00 N ATOM 787 CA THR A 52 7.012 -10.232 -1.187 1.00 0.00 C ATOM 788 C THR A 52 6.665 -9.428 0.061 0.64 0.00 C ATOM 789 O THR A 52 7.405 -9.442 1.045 0.51 0.00 O ATOM 790 CB THR A 52 6.118 -11.486 -1.239 0.05 0.00 C ATOM 791 OG1 THR A 52 6.404 -12.340 -0.127 0.06 0.00 O ATOM 792 CG2 THR A 52 6.331 -12.249 -2.538 0.96 0.00 C ATOM 0 H THR A 52 8.772 -10.987 -0.335 0.72 0.00 H new ATOM 0 HA THR A 52 6.825 -9.627 -2.074 1.00 0.00 H new ATOM 0 HB THR A 52 5.078 -11.164 -1.190 0.05 0.00 H new ATOM 0 HG1 THR A 52 5.830 -13.133 -0.168 0.06 0.00 H new ATOM 0 HG21 THR A 52 5.689 -13.130 -2.552 0.96 0.00 H new ATOM 0 HG22 THR A 52 6.083 -11.606 -3.382 0.96 0.00 H new ATOM 0 HG23 THR A 52 7.374 -12.558 -2.612 0.96 0.00 H new ATOM 800 N PHE A 53 5.536 -8.727 0.015 0.17 0.00 N ATOM 801 CA PHE A 53 5.092 -7.915 1.142 0.81 0.00 C ATOM 802 C PHE A 53 3.584 -8.027 1.343 0.22 0.00 C ATOM 803 O PHE A 53 2.852 -8.401 0.427 0.08 0.00 O ATOM 804 CB PHE A 53 5.481 -6.450 0.924 1.00 0.00 C ATOM 805 CG PHE A 53 6.948 -6.187 1.103 0.49 0.00 C ATOM 806 CD1 PHE A 53 7.823 -6.308 0.035 1.00 0.00 C ATOM 807 CD2 PHE A 53 7.451 -5.821 2.339 0.44 0.00 C ATOM 808 CE1 PHE A 53 9.175 -6.068 0.199 0.19 0.00 C ATOM 809 CE2 PHE A 53 8.801 -5.580 2.510 1.00 0.00 C ATOM 810 CZ PHE A 53 9.664 -5.703 1.439 0.22 0.00 C ATOM 0 H PHE A 53 4.912 -8.705 -0.791 0.17 0.00 H new ATOM 0 HA PHE A 53 5.585 -8.289 2.039 0.81 0.00 H new ATOM 0 HB2 PHE A 53 5.186 -6.150 -0.082 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.920 -5.826 1.620 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.445 -6.593 -0.936 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.781 -5.723 3.180 0.44 0.00 H new ATOM 0 HE1 PHE A 53 9.848 -6.166 -0.640 0.19 0.00 H new ATOM 0 HE2 PHE A 53 9.181 -5.296 3.480 1.00 0.00 H new ATOM 0 HZ PHE A 53 10.719 -5.514 1.570 0.22 0.00 H new ATOM 820 N LYS A 54 3.130 -7.698 2.548 0.29 0.00 N ATOM 821 CA LYS A 54 1.710 -7.759 2.876 0.95 0.00 C ATOM 822 C LYS A 54 1.277 -6.506 3.631 1.00 0.00 C ATOM 823 O LYS A 54 1.960 -6.059 4.553 0.15 0.00 O ATOM 824 CB LYS A 54 1.411 -9.004 3.712 0.12 0.00 C ATOM 825 CG LYS A 54 1.761 -10.306 3.012 1.00 0.00 C ATOM 826 CD LYS A 54 1.454 -11.511 3.889 0.13 0.00 C ATOM 827 CE LYS A 54 1.810 -12.814 3.191 1.00 0.00 C ATOM 828 NZ LYS A 54 1.034 -13.001 1.932 0.07 0.00 N ATOM 0 H LYS A 54 3.726 -7.386 3.315 0.29 0.00 H new ATOM 0 HA LYS A 54 1.146 -7.815 1.945 0.95 0.00 H new ATOM 0 HB2 LYS A 54 1.966 -8.944 4.648 0.12 0.00 H new ATOM 0 HB3 LYS A 54 0.352 -9.013 3.969 0.12 0.00 H new ATOM 0 HG2 LYS A 54 1.201 -10.381 2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.819 -10.306 2.749 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.011 -11.434 4.823 0.13 0.00 H new ATOM 0 HD3 LYS A 54 0.395 -11.513 4.148 0.13 0.00 H new ATOM 0 HE2 LYS A 54 2.876 -12.825 2.965 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.618 -13.650 3.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.150 -13.978 1.595 0.07 0.00 H new ATOM 0 HZ2 LYS A 54 0.027 -12.814 2.114 0.07 0.00 H new ATOM 0 HZ3 LYS A 54 1.383 -12.341 1.208 0.07 0.00 H new ATOM 842 N LEU A 55 0.138 -5.944 3.234 0.39 0.00 N ATOM 843 CA LEU A 55 -0.384 -4.742 3.875 0.22 0.00 C ATOM 844 C LEU A 55 -1.889 -4.841 4.096 0.27 0.00 C ATOM 845 O LEU A 55 -2.560 -5.691 3.508 0.96 0.00 O ATOM 846 CB LEU A 55 -0.047 -3.485 3.050 0.98 0.00 C ATOM 847 CG LEU A 55 -0.110 -3.622 1.517 1.00 0.00 C ATOM 848 CD1 LEU A 55 1.079 -4.409 0.989 1.00 0.00 C ATOM 849 CD2 LEU A 55 -1.416 -4.266 1.071 1.00 0.00 C ATOM 0 H LEU A 55 -0.439 -6.301 2.473 0.39 0.00 H new ATOM 0 HA LEU A 55 0.098 -4.656 4.849 0.22 0.00 H new ATOM 0 HB2 LEU A 55 -0.730 -2.690 3.348 0.98 0.00 H new ATOM 0 HB3 LEU A 55 0.958 -3.160 3.321 0.98 0.00 H new ATOM 0 HG LEU A 55 -0.069 -2.617 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.009 -4.490 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.003 -3.895 1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.079 -5.407 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.429 -4.348 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.501 -5.260 1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.255 -3.652 1.398 1.00 0.00 H new ATOM 861 N VAL A 56 -2.414 -3.969 4.950 1.00 0.00 N ATOM 862 CA VAL A 56 -3.839 -3.953 5.252 0.05 0.00 C ATOM 863 C VAL A 56 -4.463 -2.611 4.881 1.00 0.00 C ATOM 864 O VAL A 56 -3.913 -1.553 5.183 0.33 0.00 O ATOM 865 CB VAL A 56 -4.104 -4.238 6.745 0.15 0.00 C ATOM 866 CG1 VAL A 56 -3.339 -3.260 7.621 0.11 0.00 C ATOM 867 CG2 VAL A 56 -5.594 -4.182 7.050 1.00 0.00 C ATOM 0 H VAL A 56 -1.871 -3.262 5.446 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.297 -4.742 4.655 0.05 0.00 H new ATOM 0 HB VAL A 56 -3.750 -5.245 6.967 0.15 0.00 H new ATOM 0 HG11 VAL A 56 -3.539 -3.478 8.670 0.11 0.00 H new ATOM 0 HG12 VAL A 56 -2.271 -3.357 7.428 0.11 0.00 H new ATOM 0 HG13 VAL A 56 -3.658 -2.243 7.394 0.11 0.00 H new ATOM 0 HG21 VAL A 56 -5.757 -4.386 8.108 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.978 -3.191 6.808 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.116 -4.929 6.452 1.00 0.00 H new ATOM 877 N ILE A 57 -5.616 -2.666 4.220 0.59 0.00 N ATOM 878 CA ILE A 57 -6.320 -1.457 3.812 1.00 0.00 C ATOM 879 C ILE A 57 -7.565 -1.247 4.664 1.00 0.00 C ATOM 880 O ILE A 57 -8.538 -1.994 4.553 0.08 0.00 O ATOM 881 CB ILE A 57 -6.733 -1.500 2.327 0.82 0.00 C ATOM 882 CG1 ILE A 57 -5.510 -1.694 1.425 0.40 0.00 C ATOM 883 CG2 ILE A 57 -7.474 -0.226 1.946 0.11 0.00 C ATOM 884 CD1 ILE A 57 -5.007 -3.121 1.375 0.15 0.00 C ATOM 0 H ILE A 57 -6.081 -3.535 3.956 0.59 0.00 H new ATOM 0 HA ILE A 57 -5.627 -0.628 3.954 1.00 0.00 H new ATOM 0 HB ILE A 57 -7.400 -2.350 2.184 0.82 0.00 H new ATOM 0 HG12 ILE A 57 -5.761 -1.372 0.414 0.40 0.00 H new ATOM 0 HG13 ILE A 57 -4.706 -1.047 1.775 0.40 0.00 H new ATOM 0 HG21 ILE A 57 -7.759 -0.271 0.895 0.11 0.00 H new ATOM 0 HG22 ILE A 57 -8.369 -0.128 2.561 0.11 0.00 H new ATOM 0 HG23 ILE A 57 -6.826 0.635 2.109 0.11 0.00 H new ATOM 0 HD11 ILE A 57 -4.140 -3.178 0.717 0.15 0.00 H new ATOM 0 HD12 ILE A 57 -4.723 -3.442 2.377 0.15 0.00 H new ATOM 0 HD13 ILE A 57 -5.795 -3.771 0.995 0.15 0.00 H new ATOM 896 N GLU A 58 -7.525 -0.228 5.512 0.33 0.00 N ATOM 897 CA GLU A 58 -8.650 0.079 6.387 0.20 0.00 C ATOM 898 C GLU A 58 -9.580 1.099 5.738 0.53 0.00 C ATOM 899 O GLU A 58 -9.132 2.001 5.031 0.27 0.00 O ATOM 900 CB GLU A 58 -8.148 0.614 7.728 0.89 0.00 C ATOM 901 CG GLU A 58 -7.149 -0.304 8.414 0.49 0.00 C ATOM 902 CD GLU A 58 -6.651 0.258 9.731 0.08 0.00 C ATOM 903 OE1 GLU A 58 -5.673 1.035 9.715 0.24 0.00 O ATOM 904 OE2 GLU A 58 -7.239 -0.082 10.781 0.13 0.00 O ATOM 0 H GLU A 58 -6.727 0.400 5.613 0.33 0.00 H new ATOM 0 HA GLU A 58 -9.209 -0.842 6.556 0.20 0.00 H new ATOM 0 HB2 GLU A 58 -7.685 1.588 7.571 0.89 0.00 H new ATOM 0 HB3 GLU A 58 -9.000 0.769 8.390 0.89 0.00 H new ATOM 0 HG2 GLU A 58 -7.614 -1.274 8.590 0.49 0.00 H new ATOM 0 HG3 GLU A 58 -6.301 -0.472 7.751 0.49 0.00 H new ATOM 911 N PHE A 59 -10.878 0.947 5.983 0.70 0.00 N ATOM 912 CA PHE A 59 -11.873 1.855 5.424 1.00 0.00 C ATOM 913 C PHE A 59 -12.689 2.512 6.531 0.29 0.00 C ATOM 914 O PHE A 59 -13.158 1.841 7.451 0.09 0.00 O ATOM 915 CB PHE A 59 -12.803 1.102 4.472 0.05 0.00 C ATOM 916 CG PHE A 59 -12.099 0.503 3.287 1.00 0.00 C ATOM 917 CD1 PHE A 59 -11.860 1.260 2.152 0.71 0.00 C ATOM 918 CD2 PHE A 59 -11.679 -0.818 3.309 0.99 0.00 C ATOM 919 CE1 PHE A 59 -11.215 0.712 1.060 1.00 0.00 C ATOM 920 CE2 PHE A 59 -11.034 -1.372 2.220 0.39 0.00 C ATOM 921 CZ PHE A 59 -10.801 -0.606 1.094 0.49 0.00 C ATOM 0 H PHE A 59 -11.265 0.204 6.565 0.70 0.00 H new ATOM 0 HA PHE A 59 -11.348 2.633 4.870 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.307 0.308 5.023 0.05 0.00 H new ATOM 0 HB3 PHE A 59 -13.576 1.784 4.118 0.05 0.00 H new ATOM 0 HD1 PHE A 59 -12.182 2.291 2.120 0.71 0.00 H new ATOM 0 HD2 PHE A 59 -11.858 -1.421 4.187 0.99 0.00 H new ATOM 0 HE1 PHE A 59 -11.035 1.313 0.181 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -10.712 -2.403 2.249 0.39 0.00 H new ATOM 0 HZ PHE A 59 -10.296 -1.037 0.242 0.49 0.00 H new ATOM 931 N SER A 60 -12.857 3.827 6.436 0.52 0.00 N ATOM 932 CA SER A 60 -13.620 4.573 7.429 0.35 0.00 C ATOM 933 C SER A 60 -15.056 4.779 6.961 0.12 0.00 C ATOM 934 O SER A 60 -15.304 5.030 5.781 0.07 0.00 O ATOM 935 CB SER A 60 -12.959 5.926 7.699 0.61 0.00 C ATOM 936 OG SER A 60 -12.902 6.709 6.520 0.08 0.00 O ATOM 0 H SER A 60 -12.475 4.397 5.682 0.52 0.00 H new ATOM 0 HA SER A 60 -13.635 3.995 8.353 0.35 0.00 H new ATOM 0 HB2 SER A 60 -13.517 6.460 8.468 0.61 0.00 H new ATOM 0 HB3 SER A 60 -11.952 5.772 8.086 0.61 0.00 H new ATOM 0 HG SER A 60 -12.477 7.569 6.719 0.08 0.00 H new ATOM 942 N GLU A 61 -15.998 4.671 7.892 0.06 0.00 N ATOM 943 CA GLU A 61 -17.410 4.843 7.570 0.13 0.00 C ATOM 944 C GLU A 61 -17.759 6.323 7.431 0.13 0.00 C ATOM 945 O GLU A 61 -18.931 6.686 7.327 0.11 0.00 O ATOM 946 CB GLU A 61 -18.284 4.201 8.650 0.13 0.00 C ATOM 947 CG GLU A 61 -18.067 4.786 10.036 0.09 0.00 C ATOM 948 CD GLU A 61 -19.017 4.210 11.067 0.52 0.00 C ATOM 949 OE1 GLU A 61 -18.699 3.150 11.642 0.07 0.00 O ATOM 950 OE2 GLU A 61 -20.082 4.822 11.297 0.21 0.00 O ATOM 0 H GLU A 61 -15.810 4.466 8.873 0.06 0.00 H new ATOM 0 HA GLU A 61 -17.602 4.350 6.617 0.13 0.00 H new ATOM 0 HB2 GLU A 61 -19.332 4.319 8.375 0.13 0.00 H new ATOM 0 HB3 GLU A 61 -18.081 3.130 8.681 0.13 0.00 H new ATOM 0 HG2 GLU A 61 -17.040 4.598 10.349 0.09 0.00 H new ATOM 0 HG3 GLU A 61 -18.195 5.868 9.994 0.09 0.00 H new ATOM 957 N GLU A 62 -16.733 7.170 7.425 0.25 0.00 N ATOM 958 CA GLU A 62 -16.928 8.610 7.298 0.63 0.00 C ATOM 959 C GLU A 62 -17.661 8.952 6.004 1.00 0.00 C ATOM 960 O GLU A 62 -18.876 9.146 6.001 1.00 0.00 O ATOM 961 CB GLU A 62 -15.581 9.334 7.348 1.00 0.00 C ATOM 962 CG GLU A 62 -14.916 9.286 8.713 1.00 0.00 C ATOM 963 CD GLU A 62 -13.650 10.118 8.776 1.00 0.00 C ATOM 964 OE1 GLU A 62 -13.751 11.332 9.050 1.00 0.00 O ATOM 965 OE2 GLU A 62 -12.557 9.556 8.550 1.00 0.00 O ATOM 0 H GLU A 62 -15.758 6.883 7.507 0.25 0.00 H new ATOM 0 HA GLU A 62 -17.541 8.943 8.135 0.63 0.00 H new ATOM 0 HB2 GLU A 62 -14.912 8.890 6.611 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.727 10.375 7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.618 9.642 9.467 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.679 8.251 8.961 1.00 0.00 H new ATOM 972 N TYR A 63 -16.914 9.026 4.906 0.43 0.00 N ATOM 973 CA TYR A 63 -17.495 9.344 3.605 1.00 0.00 C ATOM 974 C TYR A 63 -16.792 8.569 2.492 0.42 0.00 C ATOM 975 O TYR A 63 -15.628 8.193 2.633 0.09 0.00 O ATOM 976 CB TYR A 63 -17.401 10.848 3.335 0.70 0.00 C ATOM 977 CG TYR A 63 -18.151 11.694 4.339 0.08 0.00 C ATOM 978 CD1 TYR A 63 -19.529 11.843 4.256 0.18 0.00 C ATOM 979 CD2 TYR A 63 -17.481 12.342 5.369 1.00 0.00 C ATOM 980 CE1 TYR A 63 -20.220 12.614 5.172 0.06 0.00 C ATOM 981 CE2 TYR A 63 -18.164 13.115 6.288 0.36 0.00 C ATOM 982 CZ TYR A 63 -19.533 13.248 6.185 0.09 0.00 C ATOM 983 OH TYR A 63 -20.215 14.016 7.100 1.00 0.00 O ATOM 0 H TYR A 63 -15.906 8.870 4.891 0.43 0.00 H new ATOM 0 HA TYR A 63 -18.545 9.050 3.621 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -16.352 11.143 3.336 0.70 0.00 H new ATOM 0 HB3 TYR A 63 -17.789 11.054 2.338 0.70 0.00 H new ATOM 0 HD1 TYR A 63 -20.070 11.348 3.463 0.18 0.00 H new ATOM 0 HD2 TYR A 63 -16.409 12.240 5.453 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -21.292 12.719 5.094 0.06 0.00 H new ATOM 0 HE2 TYR A 63 -17.629 13.613 7.083 0.36 0.00 H new ATOM 0 HH TYR A 63 -19.583 14.391 7.748 1.00 0.00 H new ATOM 993 N PRO A 64 -17.489 8.317 1.367 0.70 0.00 N ATOM 994 CA PRO A 64 -16.916 7.582 0.234 0.15 0.00 C ATOM 995 C PRO A 64 -15.761 8.340 -0.412 0.10 0.00 C ATOM 996 O PRO A 64 -14.938 7.756 -1.117 0.18 0.00 O ATOM 997 CB PRO A 64 -18.087 7.456 -0.747 0.08 0.00 C ATOM 998 CG PRO A 64 -19.013 8.563 -0.379 0.61 0.00 C ATOM 999 CD PRO A 64 -18.883 8.727 1.108 0.05 0.00 C ATOM 0 HA PRO A 64 -16.500 6.622 0.539 0.15 0.00 H new ATOM 0 HB2 PRO A 64 -17.750 7.549 -1.779 0.08 0.00 H new ATOM 0 HB3 PRO A 64 -18.575 6.486 -0.657 0.08 0.00 H new ATOM 0 HG2 PRO A 64 -18.748 9.484 -0.899 0.61 0.00 H new ATOM 0 HG3 PRO A 64 -20.039 8.324 -0.658 0.61 0.00 H new ATOM 0 HD2 PRO A 64 -19.065 9.756 1.418 0.05 0.00 H new ATOM 0 HD3 PRO A 64 -19.594 8.101 1.647 0.05 0.00 H new ATOM 1007 N ASN A 65 -15.708 9.643 -0.162 0.15 0.00 N ATOM 1008 CA ASN A 65 -14.655 10.488 -0.711 1.00 0.00 C ATOM 1009 C ASN A 65 -13.523 10.662 0.296 0.46 0.00 C ATOM 1010 O ASN A 65 -12.423 11.089 -0.057 1.00 0.00 O ATOM 1011 CB ASN A 65 -15.223 11.854 -1.105 0.10 0.00 C ATOM 1012 CG ASN A 65 -14.194 12.740 -1.777 0.10 0.00 C ATOM 1013 OD1 ASN A 65 -13.486 13.501 -1.118 1.00 0.00 O ATOM 1014 ND2 ASN A 65 -14.107 12.646 -3.099 0.06 0.00 N ATOM 0 H ASN A 65 -16.384 10.138 0.419 0.15 0.00 H new ATOM 0 HA ASN A 65 -14.254 10.001 -1.600 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.069 11.712 -1.777 0.10 0.00 H new ATOM 0 HB3 ASN A 65 -15.604 12.356 -0.215 0.10 0.00 H new ATOM 0 HD21 ASN A 65 -13.433 13.218 -3.608 0.06 0.00 H new ATOM 0 HD22 ASN A 65 -14.714 12.001 -3.605 0.06 0.00 H new ATOM 1021 N LYS A 66 -13.804 10.330 1.552 1.00 0.00 N ATOM 1022 CA LYS A 66 -12.816 10.443 2.619 0.27 0.00 C ATOM 1023 C LYS A 66 -11.605 9.552 2.326 0.84 0.00 C ATOM 1024 O LYS A 66 -11.764 8.365 2.039 0.07 0.00 O ATOM 1025 CB LYS A 66 -13.445 10.044 3.958 0.07 0.00 C ATOM 1026 CG LYS A 66 -12.569 10.345 5.163 0.67 0.00 C ATOM 1027 CD LYS A 66 -12.470 11.840 5.425 0.97 0.00 C ATOM 1028 CE LYS A 66 -11.558 12.138 6.603 0.19 0.00 C ATOM 1029 NZ LYS A 66 -11.408 13.600 6.834 0.14 0.00 N ATOM 0 H LYS A 66 -14.712 9.979 1.857 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.481 11.479 2.674 0.27 0.00 H new ATOM 0 HB2 LYS A 66 -14.395 10.566 4.072 0.07 0.00 H new ATOM 0 HB3 LYS A 66 -13.668 8.977 3.940 0.07 0.00 H new ATOM 0 HG2 LYS A 66 -12.976 9.847 6.043 0.67 0.00 H new ATOM 0 HG3 LYS A 66 -11.572 9.937 4.999 0.67 0.00 H new ATOM 0 HD2 LYS A 66 -12.092 12.343 4.535 0.97 0.00 H new ATOM 0 HD3 LYS A 66 -13.464 12.243 5.621 0.97 0.00 H new ATOM 0 HE2 LYS A 66 -11.960 11.668 7.501 0.19 0.00 H new ATOM 0 HE3 LYS A 66 -10.578 11.697 6.424 0.19 0.00 H new ATOM 0 HZ1 LYS A 66 -10.778 13.760 7.646 0.14 0.00 H new ATOM 0 HZ2 LYS A 66 -11.001 14.045 5.987 0.14 0.00 H new ATOM 0 HZ3 LYS A 66 -12.340 14.018 7.031 0.14 0.00 H new ATOM 1043 N PRO A 67 -10.377 10.107 2.392 0.44 0.00 N ATOM 1044 CA PRO A 67 -9.153 9.338 2.130 0.84 0.00 C ATOM 1045 C PRO A 67 -8.972 8.189 3.121 1.00 0.00 C ATOM 1046 O PRO A 67 -8.807 8.419 4.318 0.16 0.00 O ATOM 1047 CB PRO A 67 -8.029 10.369 2.300 0.19 0.00 C ATOM 1048 CG PRO A 67 -8.629 11.468 3.106 0.80 0.00 C ATOM 1049 CD PRO A 67 -10.078 11.513 2.720 0.83 0.00 C ATOM 0 HA PRO A 67 -9.172 8.872 1.145 0.84 0.00 H new ATOM 0 HB2 PRO A 67 -7.168 9.933 2.807 0.19 0.00 H new ATOM 0 HB3 PRO A 67 -7.679 10.734 1.334 0.19 0.00 H new ATOM 0 HG2 PRO A 67 -8.514 11.278 4.173 0.80 0.00 H new ATOM 0 HG3 PRO A 67 -8.139 12.419 2.897 0.80 0.00 H new ATOM 0 HD2 PRO A 67 -10.702 11.879 3.536 0.83 0.00 H new ATOM 0 HD3 PRO A 67 -10.249 12.171 1.868 0.83 0.00 H new ATOM 1057 N PRO A 68 -9.005 6.930 2.635 0.69 0.00 N ATOM 1058 CA PRO A 68 -8.841 5.752 3.494 0.66 0.00 C ATOM 1059 C PRO A 68 -7.480 5.725 4.184 1.00 0.00 C ATOM 1060 O PRO A 68 -6.652 6.611 3.979 0.54 0.00 O ATOM 1061 CB PRO A 68 -8.973 4.569 2.527 0.25 0.00 C ATOM 1062 CG PRO A 68 -9.652 5.124 1.323 0.52 0.00 C ATOM 1063 CD PRO A 68 -9.206 6.554 1.226 0.29 0.00 C ATOM 0 HA PRO A 68 -9.574 5.737 4.301 0.66 0.00 H new ATOM 0 HB2 PRO A 68 -7.996 4.157 2.273 0.25 0.00 H new ATOM 0 HB3 PRO A 68 -9.555 3.761 2.970 0.25 0.00 H new ATOM 0 HG2 PRO A 68 -9.377 4.567 0.427 0.52 0.00 H new ATOM 0 HG3 PRO A 68 -10.736 5.058 1.420 0.52 0.00 H new ATOM 0 HD2 PRO A 68 -8.288 6.653 0.646 0.29 0.00 H new ATOM 0 HD3 PRO A 68 -9.957 7.180 0.744 0.29 0.00 H new ATOM 1071 N THR A 69 -7.258 4.701 5.001 0.06 0.00 N ATOM 1072 CA THR A 69 -5.998 4.558 5.721 0.59 0.00 C ATOM 1073 C THR A 69 -5.362 3.197 5.451 0.25 0.00 C ATOM 1074 O THR A 69 -5.957 2.158 5.737 0.16 0.00 O ATOM 1075 CB THR A 69 -6.198 4.732 7.238 1.00 0.00 C ATOM 1076 OG1 THR A 69 -6.798 6.005 7.509 1.00 0.00 O ATOM 1077 CG2 THR A 69 -4.872 4.628 7.978 1.00 0.00 C ATOM 0 H THR A 69 -7.934 3.958 5.181 0.06 0.00 H new ATOM 0 HA THR A 69 -5.333 5.342 5.359 0.59 0.00 H new ATOM 0 HB THR A 69 -6.855 3.935 7.587 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.924 6.108 8.475 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.041 4.754 9.047 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.428 3.649 7.794 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.195 5.406 7.623 1.00 0.00 H new ATOM 1085 N VAL A 70 -4.150 3.210 4.902 0.42 0.00 N ATOM 1086 CA VAL A 70 -3.437 1.975 4.593 0.22 0.00 C ATOM 1087 C VAL A 70 -2.024 1.992 5.173 1.00 0.00 C ATOM 1088 O VAL A 70 -1.384 3.042 5.245 0.36 0.00 O ATOM 1089 CB VAL A 70 -3.355 1.739 3.070 0.11 0.00 C ATOM 1090 CG1 VAL A 70 -2.583 2.858 2.390 0.09 0.00 C ATOM 1091 CG2 VAL A 70 -2.725 0.386 2.767 0.09 0.00 C ATOM 0 H VAL A 70 -3.642 4.061 4.662 0.42 0.00 H new ATOM 0 HA VAL A 70 -4.002 1.162 5.049 0.22 0.00 H new ATOM 0 HB VAL A 70 -4.370 1.738 2.672 0.11 0.00 H new ATOM 0 HG11 VAL A 70 -2.538 2.670 1.317 0.09 0.00 H new ATOM 0 HG12 VAL A 70 -3.085 3.809 2.571 0.09 0.00 H new ATOM 0 HG13 VAL A 70 -1.571 2.899 2.793 0.09 0.00 H new ATOM 0 HG21 VAL A 70 -2.677 0.240 1.688 0.09 0.00 H new ATOM 0 HG22 VAL A 70 -1.718 0.352 3.183 0.09 0.00 H new ATOM 0 HG23 VAL A 70 -3.328 -0.404 3.213 0.09 0.00 H new ATOM 1101 N ARG A 71 -1.546 0.821 5.589 0.42 0.00 N ATOM 1102 CA ARG A 71 -0.209 0.698 6.162 0.11 0.00 C ATOM 1103 C ARG A 71 0.270 -0.750 6.118 0.21 0.00 C ATOM 1104 O ARG A 71 -0.534 -1.681 6.169 1.00 0.00 O ATOM 1105 CB ARG A 71 -0.198 1.208 7.604 0.70 0.00 C ATOM 1106 CG ARG A 71 -1.089 0.407 8.543 0.05 0.00 C ATOM 1107 CD ARG A 71 -0.963 0.892 9.978 0.28 0.00 C ATOM 1108 NE ARG A 71 0.410 0.802 10.465 1.00 0.00 N ATOM 1109 CZ ARG A 71 0.754 0.958 11.742 0.07 0.00 C ATOM 1110 NH1 ARG A 71 -0.174 1.206 12.657 1.00 0.00 N ATOM 1111 NH2 ARG A 71 2.028 0.867 12.102 0.26 0.00 N ATOM 0 H ARG A 71 -2.065 -0.056 5.540 0.42 0.00 H new ATOM 0 HA ARG A 71 0.471 1.306 5.566 0.11 0.00 H new ATOM 0 HB2 ARG A 71 0.825 1.185 7.980 0.70 0.00 H new ATOM 0 HB3 ARG A 71 -0.518 2.250 7.614 0.70 0.00 H new ATOM 0 HG2 ARG A 71 -2.127 0.489 8.220 0.05 0.00 H new ATOM 0 HG3 ARG A 71 -0.821 -0.648 8.489 0.05 0.00 H new ATOM 0 HD2 ARG A 71 -1.304 1.925 10.043 0.28 0.00 H new ATOM 0 HD3 ARG A 71 -1.615 0.300 10.620 0.28 0.00 H new ATOM 0 HE ARG A 71 1.148 0.609 9.788 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.154 1.278 12.383 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.092 1.325 13.634 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.744 0.678 11.401 0.26 0.00 H new ATOM 0 HH22 ARG A 71 2.291 0.987 13.080 0.26 0.00 H new ATOM 1125 N PHE A 72 1.585 -0.932 6.026 0.96 0.00 N ATOM 1126 CA PHE A 72 2.170 -2.267 5.980 0.08 0.00 C ATOM 1127 C PHE A 72 2.121 -2.933 7.352 0.13 0.00 C ATOM 1128 O PHE A 72 2.419 -2.305 8.369 0.09 0.00 O ATOM 1129 CB PHE A 72 3.616 -2.197 5.483 0.66 0.00 C ATOM 1130 CG PHE A 72 3.737 -1.992 3.999 0.77 0.00 C ATOM 1131 CD1 PHE A 72 3.440 -0.763 3.429 0.07 0.00 C ATOM 1132 CD2 PHE A 72 4.155 -3.025 3.177 0.72 0.00 C ATOM 1133 CE1 PHE A 72 3.556 -0.573 2.064 0.13 0.00 C ATOM 1134 CE2 PHE A 72 4.273 -2.841 1.812 0.55 0.00 C ATOM 1135 CZ PHE A 72 3.973 -1.612 1.256 1.00 0.00 C ATOM 0 H PHE A 72 2.264 -0.172 5.982 0.96 0.00 H new ATOM 0 HA PHE A 72 1.584 -2.869 5.285 0.08 0.00 H new ATOM 0 HB2 PHE A 72 4.128 -1.383 5.996 0.66 0.00 H new ATOM 0 HB3 PHE A 72 4.130 -3.119 5.756 0.66 0.00 H new ATOM 0 HD1 PHE A 72 3.115 0.053 4.057 0.07 0.00 H new ATOM 0 HD2 PHE A 72 4.392 -3.987 3.608 0.72 0.00 H new ATOM 0 HE1 PHE A 72 3.321 0.388 1.630 0.13 0.00 H new ATOM 0 HE2 PHE A 72 4.599 -3.655 1.182 0.55 0.00 H new ATOM 0 HZ PHE A 72 4.065 -1.464 0.190 1.00 0.00 H new ATOM 1145 N LEU A 73 1.742 -4.207 7.371 0.95 0.00 N ATOM 1146 CA LEU A 73 1.655 -4.964 8.615 0.33 0.00 C ATOM 1147 C LEU A 73 3.028 -5.472 9.042 1.00 0.00 C ATOM 1148 O LEU A 73 3.402 -5.373 10.211 0.65 0.00 O ATOM 1149 CB LEU A 73 0.691 -6.143 8.451 1.00 0.00 C ATOM 1150 CG LEU A 73 -0.788 -5.765 8.355 0.55 0.00 C ATOM 1151 CD1 LEU A 73 -1.621 -6.973 7.954 1.00 0.00 C ATOM 1152 CD2 LEU A 73 -1.279 -5.196 9.680 1.00 0.00 C ATOM 0 H LEU A 73 1.490 -4.738 6.537 0.95 0.00 H new ATOM 0 HA LEU A 73 1.278 -4.298 9.391 0.33 0.00 H new ATOM 0 HB2 LEU A 73 0.967 -6.696 7.553 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.823 -6.820 9.295 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.899 -4.999 7.588 0.55 0.00 H new ATOM 0 HD11 LEU A 73 -2.671 -6.686 7.890 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.286 -7.340 6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.504 -7.759 8.700 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.333 -4.932 9.594 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.154 -5.942 10.465 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.701 -4.306 9.930 1.00 0.00 H new ATOM 1164 N SER A 74 3.775 -6.016 8.087 1.00 0.00 N ATOM 1165 CA SER A 74 5.108 -6.539 8.362 1.00 0.00 C ATOM 1166 C SER A 74 6.156 -5.432 8.269 0.06 0.00 C ATOM 1167 O SER A 74 5.863 -4.325 7.817 0.19 0.00 O ATOM 1168 CB SER A 74 5.447 -7.663 7.380 1.00 0.00 C ATOM 1169 OG SER A 74 4.521 -8.728 7.486 0.20 0.00 O ATOM 0 H SER A 74 3.479 -6.106 7.115 1.00 0.00 H new ATOM 0 HA SER A 74 5.115 -6.937 9.377 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.444 -7.274 6.362 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.454 -8.031 7.577 1.00 0.00 H new ATOM 0 HG SER A 74 4.758 -9.433 6.847 0.20 0.00 H new ATOM 1175 N LYS A 75 7.377 -5.739 8.702 1.00 0.00 N ATOM 1176 CA LYS A 75 8.467 -4.771 8.666 0.23 0.00 C ATOM 1177 C LYS A 75 8.705 -4.273 7.244 0.61 0.00 C ATOM 1178 O LYS A 75 8.725 -5.058 6.296 0.39 0.00 O ATOM 1179 CB LYS A 75 9.750 -5.396 9.221 1.00 0.00 C ATOM 1180 CG LYS A 75 9.662 -5.760 10.696 0.06 0.00 C ATOM 1181 CD LYS A 75 9.454 -4.529 11.564 0.08 0.00 C ATOM 1182 CE LYS A 75 9.163 -4.907 13.006 0.08 0.00 C ATOM 1183 NZ LYS A 75 10.298 -5.641 13.629 0.35 0.00 N ATOM 0 H LYS A 75 7.635 -6.650 9.081 1.00 0.00 H new ATOM 0 HA LYS A 75 8.186 -3.921 9.288 0.23 0.00 H new ATOM 0 HB2 LYS A 75 9.985 -6.293 8.648 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.576 -4.699 9.076 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.840 -6.458 10.851 0.06 0.00 H new ATOM 0 HG3 LYS A 75 10.575 -6.271 11.001 0.06 0.00 H new ATOM 0 HD2 LYS A 75 10.343 -3.900 11.524 0.08 0.00 H new ATOM 0 HD3 LYS A 75 8.628 -3.939 11.168 0.08 0.00 H new ATOM 0 HE2 LYS A 75 8.954 -4.006 13.582 0.08 0.00 H new ATOM 0 HE3 LYS A 75 8.266 -5.525 13.045 0.08 0.00 H new ATOM 0 HZ1 LYS A 75 10.094 -5.806 14.635 0.35 0.00 H new ATOM 0 HZ2 LYS A 75 10.427 -6.554 13.148 0.35 0.00 H new ATOM 0 HZ3 LYS A 75 11.167 -5.077 13.540 0.35 0.00 H new ATOM 1197 N MET A 76 8.883 -2.962 7.101 0.85 0.00 N ATOM 1198 CA MET A 76 9.113 -2.362 5.791 0.22 0.00 C ATOM 1199 C MET A 76 10.061 -1.171 5.892 0.55 0.00 C ATOM 1200 O MET A 76 10.245 -0.601 6.969 0.11 0.00 O ATOM 1201 CB MET A 76 7.786 -1.922 5.166 0.90 0.00 C ATOM 1202 CG MET A 76 7.159 -0.708 5.837 0.16 0.00 C ATOM 1203 SD MET A 76 6.747 -0.995 7.569 0.92 0.00 S ATOM 1204 CE MET A 76 6.127 0.618 8.038 0.33 0.00 C ATOM 0 H MET A 76 8.872 -2.297 7.874 0.85 0.00 H new ATOM 0 HA MET A 76 9.575 -3.116 5.153 0.22 0.00 H new ATOM 0 HB2 MET A 76 7.949 -1.698 4.112 0.90 0.00 H new ATOM 0 HB3 MET A 76 7.082 -2.753 5.210 0.90 0.00 H new ATOM 0 HG2 MET A 76 7.847 0.134 5.768 0.16 0.00 H new ATOM 0 HG3 MET A 76 6.255 -0.427 5.296 0.16 0.00 H new ATOM 0 HE1 MET A 76 5.830 0.603 9.087 0.33 0.00 H new ATOM 0 HE2 MET A 76 6.908 1.364 7.893 0.33 0.00 H new ATOM 0 HE3 MET A 76 5.265 0.870 7.420 0.33 0.00 H new ATOM 1214 N PHE A 77 10.661 -0.802 4.763 1.00 0.00 N ATOM 1215 CA PHE A 77 11.590 0.322 4.721 0.07 0.00 C ATOM 1216 C PHE A 77 11.541 1.011 3.361 0.15 0.00 C ATOM 1217 O PHE A 77 11.960 0.442 2.352 0.37 0.00 O ATOM 1218 CB PHE A 77 13.014 -0.151 5.017 0.28 0.00 C ATOM 1219 CG PHE A 77 14.001 0.972 5.163 0.07 0.00 C ATOM 1220 CD1 PHE A 77 14.140 1.634 6.373 0.16 0.00 C ATOM 1221 CD2 PHE A 77 14.790 1.366 4.095 1.00 0.00 C ATOM 1222 CE1 PHE A 77 15.046 2.668 6.513 0.17 0.00 C ATOM 1223 CE2 PHE A 77 15.698 2.399 4.228 0.65 0.00 C ATOM 1224 CZ PHE A 77 15.825 3.050 5.439 0.52 0.00 C ATOM 0 H PHE A 77 10.520 -1.266 3.865 1.00 0.00 H new ATOM 0 HA PHE A 77 11.291 1.039 5.485 0.07 0.00 H new ATOM 0 HB2 PHE A 77 13.009 -0.741 5.933 0.28 0.00 H new ATOM 0 HB3 PHE A 77 13.343 -0.811 4.215 0.28 0.00 H new ATOM 0 HD1 PHE A 77 13.533 1.338 7.216 0.16 0.00 H new ATOM 0 HD2 PHE A 77 14.694 0.859 3.146 1.00 0.00 H new ATOM 0 HE1 PHE A 77 15.145 3.176 7.461 0.17 0.00 H new ATOM 0 HE2 PHE A 77 16.307 2.696 3.387 0.65 0.00 H new ATOM 0 HZ PHE A 77 16.534 3.858 5.546 0.52 0.00 H new ATOM 1234 N HIS A 78 11.023 2.236 3.340 0.71 0.00 N ATOM 1235 CA HIS A 78 10.917 3.002 2.102 0.92 0.00 C ATOM 1236 C HIS A 78 11.453 4.423 2.290 0.74 0.00 C ATOM 1237 O HIS A 78 11.483 4.937 3.409 0.29 0.00 O ATOM 1238 CB HIS A 78 9.462 3.051 1.635 0.14 0.00 C ATOM 1239 CG HIS A 78 8.900 1.708 1.287 0.10 0.00 C ATOM 1240 ND1 HIS A 78 8.386 0.740 2.087 0.74 0.00 N flip ATOM 1241 CD2 HIS A 78 8.815 1.222 0.001 0.60 0.00 C flip ATOM 1242 CE1 HIS A 78 7.987 -0.337 1.302 1.00 0.00 C flip ATOM 1243 NE2 HIS A 78 8.265 0.003 0.058 0.13 0.00 N flip ATOM 0 H HIS A 78 10.670 2.719 4.166 0.71 0.00 H new ATOM 0 HA HIS A 78 11.520 2.505 1.343 0.92 0.00 H new ATOM 0 HB2 HIS A 78 8.852 3.499 2.419 0.14 0.00 H new ATOM 0 HB3 HIS A 78 9.390 3.703 0.764 0.14 0.00 H new ATOM 0 HD1 HIS A 78 8.305 0.793 3.102 0.74 0.00 H new ATOM 0 HD2 HIS A 78 9.135 1.734 -0.895 0.60 0.00 H new ATOM 0 HE1 HIS A 78 7.542 -1.261 1.641 1.00 0.00 H new ATOM 1251 N PRO A 79 11.884 5.080 1.193 0.14 0.00 N ATOM 1252 CA PRO A 79 12.415 6.447 1.253 0.33 0.00 C ATOM 1253 C PRO A 79 11.374 7.452 1.735 0.49 0.00 C ATOM 1254 O PRO A 79 11.719 8.522 2.237 0.69 0.00 O ATOM 1255 CB PRO A 79 12.815 6.748 -0.197 0.65 0.00 C ATOM 1256 CG PRO A 79 12.028 5.788 -1.020 1.00 0.00 C ATOM 1257 CD PRO A 79 11.885 4.551 -0.182 1.00 0.00 C ATOM 0 HA PRO A 79 13.241 6.527 1.959 0.33 0.00 H new ATOM 0 HB2 PRO A 79 12.584 7.779 -0.464 0.65 0.00 H new ATOM 0 HB3 PRO A 79 13.886 6.612 -0.348 0.65 0.00 H new ATOM 0 HG2 PRO A 79 11.053 6.201 -1.277 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.538 5.568 -1.958 1.00 0.00 H new ATOM 0 HD2 PRO A 79 10.964 4.014 -0.409 1.00 0.00 H new ATOM 0 HD3 PRO A 79 12.708 3.855 -0.346 1.00 0.00 H new ATOM 1265 N ASN A 80 10.102 7.101 1.581 0.17 0.00 N ATOM 1266 CA ASN A 80 9.014 7.974 2.000 0.21 0.00 C ATOM 1267 C ASN A 80 7.997 7.209 2.838 1.00 0.00 C ATOM 1268 O ASN A 80 7.376 6.255 2.367 0.45 0.00 O ATOM 1269 CB ASN A 80 8.323 8.587 0.780 0.83 0.00 C ATOM 1270 CG ASN A 80 9.268 9.413 -0.069 1.00 0.00 C ATOM 1271 OD1 ASN A 80 9.332 10.710 0.208 1.00 0.00 O flip ATOM 1272 ND2 ASN A 80 9.930 8.891 -0.967 0.50 0.00 N flip ATOM 0 H ASN A 80 9.800 6.218 1.169 0.17 0.00 H new ATOM 0 HA ASN A 80 9.438 8.772 2.609 0.21 0.00 H new ATOM 0 HB2 ASN A 80 7.895 7.791 0.171 0.83 0.00 H new ATOM 0 HB3 ASN A 80 7.496 9.214 1.112 0.83 0.00 H new ATOM 0 HD21 ASN A 80 9.849 7.890 -1.144 0.50 0.00 H new ATOM 0 HD22 ASN A 80 10.559 9.460 -1.533 0.50 0.00 H new ATOM 1279 N VAL A 81 7.834 7.636 4.084 1.00 0.00 N ATOM 1280 CA VAL A 81 6.889 7.003 4.997 0.27 0.00 C ATOM 1281 C VAL A 81 6.437 7.987 6.074 0.13 0.00 C ATOM 1282 O VAL A 81 7.093 9.000 6.314 0.07 0.00 O ATOM 1283 CB VAL A 81 7.505 5.754 5.661 0.17 0.00 C ATOM 1284 CG1 VAL A 81 8.543 6.149 6.701 0.11 0.00 C ATOM 1285 CG2 VAL A 81 6.420 4.884 6.277 0.14 0.00 C ATOM 0 H VAL A 81 8.346 8.421 4.487 1.00 0.00 H new ATOM 0 HA VAL A 81 6.024 6.694 4.410 0.27 0.00 H new ATOM 0 HB VAL A 81 8.009 5.172 4.890 0.17 0.00 H new ATOM 0 HG11 VAL A 81 8.963 5.251 7.155 0.11 0.00 H new ATOM 0 HG12 VAL A 81 9.339 6.720 6.222 0.11 0.00 H new ATOM 0 HG13 VAL A 81 8.072 6.759 7.472 0.11 0.00 H new ATOM 0 HG21 VAL A 81 6.875 4.008 6.740 0.14 0.00 H new ATOM 0 HG22 VAL A 81 5.881 5.455 7.033 0.14 0.00 H new ATOM 0 HG23 VAL A 81 5.726 4.564 5.500 0.14 0.00 H new ATOM 1295 N TYR A 82 5.315 7.684 6.718 1.00 0.00 N ATOM 1296 CA TYR A 82 4.785 8.542 7.771 0.19 0.00 C ATOM 1297 C TYR A 82 5.060 7.946 9.147 0.16 0.00 C ATOM 1298 O TYR A 82 5.525 6.811 9.261 0.09 0.00 O ATOM 1299 CB TYR A 82 3.284 8.756 7.580 0.24 0.00 C ATOM 1300 CG TYR A 82 2.942 9.561 6.346 0.42 0.00 C ATOM 1301 CD1 TYR A 82 2.786 8.943 5.112 0.55 0.00 C ATOM 1302 CD2 TYR A 82 2.781 10.939 6.414 0.20 0.00 C ATOM 1303 CE1 TYR A 82 2.477 9.675 3.981 0.07 0.00 C ATOM 1304 CE2 TYR A 82 2.473 11.678 5.288 0.51 0.00 C ATOM 1305 CZ TYR A 82 2.323 11.042 4.075 0.58 0.00 C ATOM 1306 OH TYR A 82 2.016 11.774 2.951 1.00 0.00 O ATOM 0 H TYR A 82 4.756 6.852 6.530 1.00 0.00 H new ATOM 0 HA TYR A 82 5.289 9.507 7.707 0.19 0.00 H new ATOM 0 HB2 TYR A 82 2.791 7.786 7.519 0.24 0.00 H new ATOM 0 HB3 TYR A 82 2.883 9.263 8.458 0.24 0.00 H new ATOM 0 HD1 TYR A 82 2.908 7.873 5.035 0.55 0.00 H new ATOM 0 HD2 TYR A 82 2.899 11.441 7.363 0.20 0.00 H new ATOM 0 HE1 TYR A 82 2.357 9.179 3.029 0.07 0.00 H new ATOM 0 HE2 TYR A 82 2.350 12.749 5.358 0.51 0.00 H new ATOM 0 HH TYR A 82 1.941 12.722 3.188 1.00 0.00 H new ATOM 1316 N ALA A 83 4.770 8.716 10.191 0.30 0.00 N ATOM 1317 CA ALA A 83 4.988 8.266 11.560 1.00 0.00 C ATOM 1318 C ALA A 83 4.134 7.044 11.883 0.62 0.00 C ATOM 1319 O ALA A 83 4.544 6.177 12.654 0.06 0.00 O ATOM 1320 CB ALA A 83 4.693 9.392 12.540 0.15 0.00 C ATOM 0 H ALA A 83 4.383 9.656 10.114 0.30 0.00 H new ATOM 0 HA ALA A 83 6.035 7.979 11.657 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.860 9.041 13.558 0.15 0.00 H new ATOM 0 HB2 ALA A 83 5.352 10.236 12.334 0.15 0.00 H new ATOM 0 HB3 ALA A 83 3.655 9.707 12.431 0.15 0.00 H new ATOM 1326 N ASP A 84 2.948 6.981 11.286 0.77 0.00 N ATOM 1327 CA ASP A 84 2.037 5.863 11.511 0.38 0.00 C ATOM 1328 C ASP A 84 2.429 4.659 10.662 0.92 0.00 C ATOM 1329 O ASP A 84 1.923 3.556 10.863 1.00 0.00 O ATOM 1330 CB ASP A 84 0.599 6.279 11.195 0.19 0.00 C ATOM 1331 CG ASP A 84 0.109 7.395 12.098 0.28 0.00 C ATOM 1332 OD1 ASP A 84 0.291 8.576 11.734 1.00 0.00 O ATOM 1333 OD2 ASP A 84 -0.457 7.088 13.168 0.64 0.00 O ATOM 0 H ASP A 84 2.595 7.690 10.643 0.77 0.00 H new ATOM 0 HA ASP A 84 2.104 5.579 12.561 0.38 0.00 H new ATOM 0 HB2 ASP A 84 0.537 6.602 10.156 0.19 0.00 H new ATOM 0 HB3 ASP A 84 -0.058 5.415 11.300 0.19 0.00 H new ATOM 1338 N GLY A 85 3.333 4.880 9.713 0.06 0.00 N ATOM 1339 CA GLY A 85 3.779 3.803 8.848 1.00 0.00 C ATOM 1340 C GLY A 85 3.038 3.770 7.525 1.00 0.00 C ATOM 1341 O GLY A 85 3.282 2.896 6.694 0.06 0.00 O ATOM 0 H GLY A 85 3.765 5.785 9.527 0.06 0.00 H new ATOM 0 HA2 GLY A 85 4.847 3.913 8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.642 2.851 9.360 1.00 0.00 H new ATOM 1345 N SER A 86 2.133 4.724 7.330 0.72 0.00 N ATOM 1346 CA SER A 86 1.354 4.800 6.098 1.00 0.00 C ATOM 1347 C SER A 86 2.249 5.116 4.905 1.00 0.00 C ATOM 1348 O SER A 86 3.421 5.459 5.068 0.08 0.00 O ATOM 1349 CB SER A 86 0.255 5.857 6.228 1.00 0.00 C ATOM 1350 OG SER A 86 0.797 7.120 6.571 1.00 0.00 O ATOM 0 H SER A 86 1.921 5.455 8.009 0.72 0.00 H new ATOM 0 HA SER A 86 0.891 3.828 5.930 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.291 5.936 5.288 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.463 5.548 6.988 1.00 0.00 H new ATOM 0 HG SER A 86 1.361 7.444 5.838 1.00 0.00 H new ATOM 1356 N ILE A 87 1.689 5.002 3.704 0.11 0.00 N ATOM 1357 CA ILE A 87 2.438 5.271 2.481 0.15 0.00 C ATOM 1358 C ILE A 87 2.035 6.612 1.876 0.33 0.00 C ATOM 1359 O ILE A 87 0.893 7.050 2.019 0.45 0.00 O ATOM 1360 CB ILE A 87 2.224 4.165 1.426 0.13 0.00 C ATOM 1361 CG1 ILE A 87 2.348 2.777 2.060 0.14 0.00 C ATOM 1362 CG2 ILE A 87 3.224 4.316 0.289 0.09 0.00 C ATOM 1363 CD1 ILE A 87 1.061 2.273 2.681 0.46 0.00 C ATOM 0 H ILE A 87 0.719 4.725 3.552 0.11 0.00 H new ATOM 0 HA ILE A 87 3.492 5.296 2.759 0.15 0.00 H new ATOM 0 HB ILE A 87 1.217 4.269 1.023 0.13 0.00 H new ATOM 0 HG12 ILE A 87 2.676 2.068 1.300 0.14 0.00 H new ATOM 0 HG13 ILE A 87 3.124 2.805 2.825 0.14 0.00 H new ATOM 0 HG21 ILE A 87 3.060 3.529 -0.447 0.09 0.00 H new ATOM 0 HG22 ILE A 87 3.092 5.289 -0.185 0.09 0.00 H new ATOM 0 HG23 ILE A 87 4.237 4.239 0.683 0.09 0.00 H new ATOM 0 HD11 ILE A 87 1.227 1.285 3.110 0.46 0.00 H new ATOM 0 HD12 ILE A 87 0.742 2.960 3.465 0.46 0.00 H new ATOM 0 HD13 ILE A 87 0.287 2.211 1.916 0.46 0.00 H new ATOM 1375 N CYS A 88 2.979 7.259 1.198 0.08 0.00 N ATOM 1376 CA CYS A 88 2.721 8.548 0.567 0.20 0.00 C ATOM 1377 C CYS A 88 2.120 8.364 -0.823 1.00 0.00 C ATOM 1378 O CYS A 88 2.820 8.008 -1.771 1.00 0.00 O ATOM 1379 CB CYS A 88 4.010 9.363 0.473 0.45 0.00 C ATOM 1380 SG CYS A 88 3.828 10.932 -0.407 0.27 0.00 S ATOM 0 H CYS A 88 3.929 6.911 1.072 0.08 0.00 H new ATOM 0 HA CYS A 88 2.004 9.088 1.185 0.20 0.00 H new ATOM 0 HB2 CYS A 88 4.375 9.564 1.480 0.45 0.00 H new ATOM 0 HB3 CYS A 88 4.770 8.764 -0.028 0.45 0.00 H new ATOM 0 HG CYS A 88 4.971 11.550 -0.433 0.27 0.00 H new ATOM 1386 N LEU A 89 0.819 8.606 -0.934 1.00 0.00 N ATOM 1387 CA LEU A 89 0.121 8.471 -2.206 0.18 0.00 C ATOM 1388 C LEU A 89 -0.508 9.793 -2.629 0.87 0.00 C ATOM 1389 O LEU A 89 -1.258 10.404 -1.868 0.24 0.00 O ATOM 1390 CB LEU A 89 -0.961 7.394 -2.114 0.05 0.00 C ATOM 1391 CG LEU A 89 -0.498 5.973 -2.437 1.00 0.00 C ATOM 1392 CD1 LEU A 89 0.379 5.428 -1.322 1.00 0.00 C ATOM 1393 CD2 LEU A 89 -1.697 5.066 -2.669 0.17 0.00 C ATOM 0 H LEU A 89 0.226 8.897 -0.157 1.00 0.00 H new ATOM 0 HA LEU A 89 0.855 8.178 -2.956 0.18 0.00 H new ATOM 0 HB2 LEU A 89 -1.375 7.403 -1.106 0.05 0.00 H new ATOM 0 HB3 LEU A 89 -1.771 7.658 -2.793 0.05 0.00 H new ATOM 0 HG LEU A 89 0.095 6.002 -3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.698 4.416 -1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.255 6.066 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.186 5.411 -0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.352 4.058 -2.898 0.17 0.00 H new ATOM 0 HD22 LEU A 89 -2.315 5.043 -1.771 0.17 0.00 H new ATOM 0 HD23 LEU A 89 -2.285 5.447 -3.504 0.17 0.00 H new ATOM 1405 N ASP A 90 -0.197 10.228 -3.845 0.35 0.00 N ATOM 1406 CA ASP A 90 -0.741 11.474 -4.369 0.15 0.00 C ATOM 1407 C ASP A 90 -2.219 11.306 -4.704 0.39 0.00 C ATOM 1408 O ASP A 90 -2.955 12.285 -4.830 0.21 0.00 O ATOM 1409 CB ASP A 90 0.038 11.912 -5.611 0.71 0.00 C ATOM 1410 CG ASP A 90 1.487 12.230 -5.299 1.00 0.00 C ATOM 1411 OD1 ASP A 90 1.776 13.390 -4.935 0.11 0.00 O ATOM 1412 OD2 ASP A 90 2.334 11.320 -5.419 1.00 0.00 O ATOM 0 H ASP A 90 0.428 9.737 -4.485 0.35 0.00 H new ATOM 0 HA ASP A 90 -0.642 12.246 -3.606 0.15 0.00 H new ATOM 0 HB2 ASP A 90 -0.005 11.122 -6.361 0.71 0.00 H new ATOM 0 HB3 ASP A 90 -0.439 12.791 -6.045 0.71 0.00 H new ATOM 1417 N ILE A 91 -2.642 10.053 -4.845 1.00 0.00 N ATOM 1418 CA ILE A 91 -4.030 9.742 -5.156 0.23 0.00 C ATOM 1419 C ILE A 91 -4.931 10.044 -3.964 1.00 0.00 C ATOM 1420 O ILE A 91 -6.126 10.284 -4.121 0.72 0.00 O ATOM 1421 CB ILE A 91 -4.193 8.258 -5.551 0.56 0.00 C ATOM 1422 CG1 ILE A 91 -5.630 7.973 -5.991 0.11 0.00 C ATOM 1423 CG2 ILE A 91 -3.808 7.361 -4.386 0.10 0.00 C ATOM 1424 CD1 ILE A 91 -5.824 6.588 -6.573 0.74 0.00 C ATOM 0 H ILE A 91 -2.040 9.236 -4.748 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.323 10.368 -5.999 0.23 0.00 H new ATOM 0 HB ILE A 91 -3.530 8.047 -6.390 0.56 0.00 H new ATOM 0 HG12 ILE A 91 -6.294 8.094 -5.135 0.11 0.00 H new ATOM 0 HG13 ILE A 91 -5.928 8.714 -6.733 0.11 0.00 H new ATOM 0 HG21 ILE A 91 -3.927 6.317 -4.676 0.10 0.00 H new ATOM 0 HG22 ILE A 91 -2.769 7.546 -4.112 0.10 0.00 H new ATOM 0 HG23 ILE A 91 -4.452 7.576 -3.533 0.10 0.00 H new ATOM 0 HD11 ILE A 91 -6.867 6.458 -6.863 0.74 0.00 H new ATOM 0 HD12 ILE A 91 -5.187 6.469 -7.449 0.74 0.00 H new ATOM 0 HD13 ILE A 91 -5.558 5.839 -5.827 0.74 0.00 H new ATOM 1436 N LEU A 92 -4.342 10.032 -2.771 0.18 0.00 N ATOM 1437 CA LEU A 92 -5.083 10.301 -1.543 0.19 0.00 C ATOM 1438 C LEU A 92 -5.319 11.797 -1.367 1.00 0.00 C ATOM 1439 O LEU A 92 -6.214 12.212 -0.628 1.00 0.00 O ATOM 1440 CB LEU A 92 -4.319 9.751 -0.338 0.13 0.00 C ATOM 1441 CG LEU A 92 -4.106 8.236 -0.341 0.11 0.00 C ATOM 1442 CD1 LEU A 92 -3.211 7.822 0.818 0.76 0.00 C ATOM 1443 CD2 LEU A 92 -5.440 7.508 -0.271 0.46 0.00 C ATOM 0 H LEU A 92 -3.351 9.838 -2.629 0.18 0.00 H new ATOM 0 HA LEU A 92 -6.051 9.805 -1.613 0.19 0.00 H new ATOM 0 HB2 LEU A 92 -3.346 10.239 -0.291 0.13 0.00 H new ATOM 0 HB3 LEU A 92 -4.857 10.025 0.570 0.13 0.00 H new ATOM 0 HG LEU A 92 -3.613 7.960 -1.273 0.11 0.00 H new ATOM 0 HD11 LEU A 92 -3.070 6.741 0.801 0.76 0.00 H new ATOM 0 HD12 LEU A 92 -2.244 8.316 0.725 0.76 0.00 H new ATOM 0 HD13 LEU A 92 -3.677 8.112 1.760 0.76 0.00 H new ATOM 0 HD21 LEU A 92 -5.268 6.432 -0.274 0.46 0.00 H new ATOM 0 HD22 LEU A 92 -5.961 7.789 0.644 0.46 0.00 H new ATOM 0 HD23 LEU A 92 -6.049 7.781 -1.133 0.46 0.00 H new ATOM 1455 N GLN A 93 -4.511 12.600 -2.048 0.05 0.00 N ATOM 1456 CA GLN A 93 -4.625 14.050 -1.970 0.64 0.00 C ATOM 1457 C GLN A 93 -5.882 14.534 -2.688 0.13 0.00 C ATOM 1458 O GLN A 93 -6.812 13.761 -2.923 1.00 0.00 O ATOM 1459 CB GLN A 93 -3.385 14.708 -2.577 0.32 0.00 C ATOM 1460 CG GLN A 93 -2.084 14.254 -1.934 1.00 0.00 C ATOM 1461 CD GLN A 93 -0.861 14.892 -2.562 0.35 0.00 C ATOM 1462 OE1 GLN A 93 -0.917 16.020 -3.052 0.24 0.00 O ATOM 1463 NE2 GLN A 93 0.255 14.171 -2.554 1.00 0.00 N ATOM 0 H GLN A 93 -3.767 12.269 -2.663 0.05 0.00 H new ATOM 0 HA GLN A 93 -4.700 14.333 -0.920 0.64 0.00 H new ATOM 0 HB2 GLN A 93 -3.351 14.487 -3.644 0.32 0.00 H new ATOM 0 HB3 GLN A 93 -3.472 15.790 -2.478 0.32 0.00 H new ATOM 0 HG2 GLN A 93 -2.107 14.494 -0.871 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.004 13.170 -2.015 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.258 13.240 -2.137 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.109 14.549 -2.965 1.00 0.00 H new ATOM 1472 N ASN A 94 -5.905 15.818 -3.032 0.06 0.00 N ATOM 1473 CA ASN A 94 -7.047 16.404 -3.723 0.34 0.00 C ATOM 1474 C ASN A 94 -7.266 15.742 -5.080 0.08 0.00 C ATOM 1475 O ASN A 94 -8.286 15.964 -5.734 0.74 0.00 O ATOM 1476 CB ASN A 94 -6.841 17.910 -3.900 0.08 0.00 C ATOM 1477 CG ASN A 94 -6.597 18.617 -2.581 1.00 0.00 C ATOM 1478 OD1 ASN A 94 -5.455 18.771 -2.148 0.19 0.00 O ATOM 1479 ND2 ASN A 94 -7.672 19.049 -1.933 1.00 0.00 N ATOM 0 H ASN A 94 -5.145 16.472 -2.843 0.06 0.00 H new ATOM 0 HA ASN A 94 -7.935 16.234 -3.114 0.34 0.00 H new ATOM 0 HB2 ASN A 94 -5.994 18.083 -4.564 0.08 0.00 H new ATOM 0 HB3 ASN A 94 -7.718 18.340 -4.383 0.08 0.00 H new ATOM 0 HD21 ASN A 94 -7.570 19.530 -1.039 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.600 18.900 -2.329 1.00 0.00 H new ATOM 1486 N ARG A 95 -6.301 14.927 -5.498 0.29 0.00 N ATOM 1487 CA ARG A 95 -6.384 14.227 -6.776 0.10 0.00 C ATOM 1488 C ARG A 95 -7.229 12.961 -6.656 0.11 0.00 C ATOM 1489 O ARG A 95 -7.281 12.148 -7.579 0.08 0.00 O ATOM 1490 CB ARG A 95 -4.982 13.872 -7.273 1.00 0.00 C ATOM 1491 CG ARG A 95 -4.072 15.075 -7.442 0.09 0.00 C ATOM 1492 CD ARG A 95 -2.676 14.660 -7.880 1.00 0.00 C ATOM 1493 NE ARG A 95 -1.787 15.808 -8.043 0.18 0.00 N ATOM 1494 CZ ARG A 95 -0.586 15.736 -8.609 0.08 0.00 C ATOM 1495 NH1 ARG A 95 -0.134 14.576 -9.068 0.11 0.00 N ATOM 1496 NH2 ARG A 95 0.164 16.824 -8.716 1.00 0.00 N ATOM 0 H ARG A 95 -5.451 14.735 -4.968 0.29 0.00 H new ATOM 0 HA ARG A 95 -6.864 14.891 -7.495 0.10 0.00 H new ATOM 0 HB2 ARG A 95 -4.523 13.176 -6.571 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -5.065 13.353 -8.228 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -4.499 15.755 -8.179 0.09 0.00 H new ATOM 0 HG3 ARG A 95 -4.012 15.622 -6.501 0.09 0.00 H new ATOM 0 HD2 ARG A 95 -2.254 13.977 -7.143 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.739 14.114 -8.822 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.106 16.716 -7.704 0.18 0.00 H new ATOM 0 HH11 ARG A 95 -0.708 13.737 -8.987 0.11 0.00 H new ATOM 0 HH12 ARG A 95 0.788 14.523 -9.502 0.11 0.00 H new ATOM 0 HH21 ARG A 95 -0.180 17.717 -8.364 1.00 0.00 H new ATOM 0 HH22 ARG A 95 1.085 16.768 -9.150 1.00 0.00 H new ATOM 1510 N TRP A 96 -7.892 12.801 -5.514 0.08 0.00 N ATOM 1511 CA TRP A 96 -8.737 11.635 -5.274 1.00 0.00 C ATOM 1512 C TRP A 96 -10.102 11.806 -5.936 1.00 0.00 C ATOM 1513 O TRP A 96 -10.629 12.917 -6.014 0.15 0.00 O ATOM 1514 CB TRP A 96 -8.905 11.401 -3.768 0.09 0.00 C ATOM 1515 CG TRP A 96 -9.968 10.401 -3.429 0.28 0.00 C ATOM 1516 CD1 TRP A 96 -11.181 10.657 -2.859 0.16 0.00 C ATOM 1517 CD2 TRP A 96 -9.914 8.985 -3.641 0.19 0.00 C ATOM 1518 NE1 TRP A 96 -11.884 9.489 -2.702 0.22 0.00 N ATOM 1519 CE2 TRP A 96 -11.130 8.448 -3.174 0.21 0.00 C ATOM 1520 CE3 TRP A 96 -8.958 8.118 -4.179 0.13 0.00 C ATOM 1521 CZ2 TRP A 96 -11.413 7.086 -3.229 0.23 0.00 C ATOM 1522 CZ3 TRP A 96 -9.242 6.764 -4.233 0.40 0.00 C ATOM 1523 CH2 TRP A 96 -10.460 6.261 -3.760 0.06 0.00 C ATOM 0 H TRP A 96 -7.860 13.464 -4.740 0.08 0.00 H new ATOM 0 HA TRP A 96 -8.250 10.765 -5.715 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -7.955 11.063 -3.354 0.09 0.00 H new ATOM 0 HB3 TRP A 96 -9.144 12.349 -3.286 0.09 0.00 H new ATOM 0 HD1 TRP A 96 -11.536 11.636 -2.573 0.16 0.00 H new ATOM 0 HE1 TRP A 96 -12.818 9.409 -2.299 0.22 0.00 H new ATOM 0 HE3 TRP A 96 -8.016 8.497 -4.546 0.13 0.00 H new ATOM 0 HZ2 TRP A 96 -12.352 6.695 -2.865 0.23 0.00 H new ATOM 0 HZ3 TRP A 96 -8.512 6.084 -4.647 0.40 0.00 H new ATOM 0 HH2 TRP A 96 -10.651 5.199 -3.816 0.06 0.00 H new ATOM 1534 N SER A 97 -10.667 10.701 -6.410 0.35 0.00 N ATOM 1535 CA SER A 97 -11.971 10.727 -7.065 0.09 0.00 C ATOM 1536 C SER A 97 -12.834 9.556 -6.596 0.45 0.00 C ATOM 1537 O SER A 97 -12.317 8.472 -6.324 0.11 0.00 O ATOM 1538 CB SER A 97 -11.800 10.666 -8.584 1.00 0.00 C ATOM 1539 OG SER A 97 -13.027 10.914 -9.248 0.09 0.00 O ATOM 0 H SER A 97 -10.243 9.775 -6.353 0.35 0.00 H new ATOM 0 HA SER A 97 -12.469 11.659 -6.797 0.09 0.00 H new ATOM 0 HB2 SER A 97 -11.058 11.400 -8.899 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.420 9.685 -8.871 1.00 0.00 H new ATOM 0 HG SER A 97 -12.889 10.871 -10.217 0.09 0.00 H new ATOM 1545 N PRO A 98 -14.162 9.754 -6.491 0.56 0.00 N ATOM 1546 CA PRO A 98 -15.082 8.696 -6.057 0.42 0.00 C ATOM 1547 C PRO A 98 -15.150 7.549 -7.060 0.05 0.00 C ATOM 1548 O PRO A 98 -15.822 6.544 -6.825 0.11 0.00 O ATOM 1549 CB PRO A 98 -16.436 9.407 -5.960 0.67 0.00 C ATOM 1550 CG PRO A 98 -16.312 10.591 -6.855 0.27 0.00 C ATOM 1551 CD PRO A 98 -14.873 11.015 -6.779 0.14 0.00 C ATOM 0 HA PRO A 98 -14.765 8.240 -5.119 0.42 0.00 H new ATOM 0 HB2 PRO A 98 -17.249 8.754 -6.279 0.67 0.00 H new ATOM 0 HB3 PRO A 98 -16.652 9.708 -4.935 0.67 0.00 H new ATOM 0 HG2 PRO A 98 -16.591 10.338 -7.878 0.27 0.00 H new ATOM 0 HG3 PRO A 98 -16.974 11.395 -6.533 0.27 0.00 H new ATOM 0 HD2 PRO A 98 -14.536 11.462 -7.714 0.14 0.00 H new ATOM 0 HD3 PRO A 98 -14.713 11.755 -5.995 0.14 0.00 H new ATOM 1559 N THR A 99 -14.450 7.708 -8.181 1.00 0.00 N ATOM 1560 CA THR A 99 -14.425 6.688 -9.224 0.06 0.00 C ATOM 1561 C THR A 99 -13.444 5.573 -8.879 0.15 0.00 C ATOM 1562 O THR A 99 -13.767 4.392 -9.009 0.51 0.00 O ATOM 1563 CB THR A 99 -14.041 7.291 -10.589 1.00 0.00 C ATOM 1564 OG1 THR A 99 -14.960 8.330 -10.941 0.09 0.00 O ATOM 1565 CG2 THR A 99 -14.036 6.223 -11.672 0.13 0.00 C ATOM 0 H THR A 99 -13.892 8.536 -8.390 1.00 0.00 H new ATOM 0 HA THR A 99 -15.432 6.275 -9.288 0.06 0.00 H new ATOM 0 HB THR A 99 -13.037 7.707 -10.507 1.00 0.00 H new ATOM 0 HG1 THR A 99 -14.708 8.709 -11.809 0.09 0.00 H new ATOM 0 HG21 THR A 99 -13.762 6.673 -12.626 0.13 0.00 H new ATOM 0 HG22 THR A 99 -13.313 5.448 -11.416 0.13 0.00 H new ATOM 0 HG23 THR A 99 -15.029 5.781 -11.752 0.13 0.00 H new ATOM 1573 N TYR A 100 -12.244 5.954 -8.447 0.53 0.00 N ATOM 1574 CA TYR A 100 -11.221 4.980 -8.081 0.10 0.00 C ATOM 1575 C TYR A 100 -11.756 4.001 -7.040 0.44 0.00 C ATOM 1576 O TYR A 100 -12.532 4.380 -6.164 0.44 0.00 O ATOM 1577 CB TYR A 100 -9.977 5.688 -7.540 1.00 0.00 C ATOM 1578 CG TYR A 100 -9.283 6.559 -8.563 0.06 0.00 C ATOM 1579 CD1 TYR A 100 -9.640 7.891 -8.723 1.00 0.00 C ATOM 1580 CD2 TYR A 100 -8.272 6.048 -9.366 0.47 0.00 C ATOM 1581 CE1 TYR A 100 -9.009 8.691 -9.659 1.00 0.00 C ATOM 1582 CE2 TYR A 100 -7.636 6.841 -10.302 0.99 0.00 C ATOM 1583 CZ TYR A 100 -8.007 8.159 -10.444 1.00 0.00 C ATOM 1584 OH TYR A 100 -7.376 8.950 -11.376 0.14 0.00 O ATOM 0 H TYR A 100 -11.958 6.927 -8.342 0.53 0.00 H new ATOM 0 HA TYR A 100 -10.948 4.422 -8.977 0.10 0.00 H new ATOM 0 HB2 TYR A 100 -10.261 6.302 -6.685 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -9.273 4.940 -7.175 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -10.422 8.309 -8.107 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -7.978 5.014 -9.257 0.47 0.00 H new ATOM 0 HE1 TYR A 100 -9.299 9.725 -9.774 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -6.852 6.429 -10.919 0.99 0.00 H new ATOM 0 HH TYR A 100 -6.695 8.424 -11.844 0.14 0.00 H new ATOM 1594 N ASP A 101 -11.340 2.743 -7.145 0.28 0.00 N ATOM 1595 CA ASP A 101 -11.790 1.713 -6.215 0.25 0.00 C ATOM 1596 C ASP A 101 -10.609 1.020 -5.540 1.00 0.00 C ATOM 1597 O ASP A 101 -9.462 1.446 -5.680 0.15 0.00 O ATOM 1598 CB ASP A 101 -12.655 0.686 -6.948 0.86 0.00 C ATOM 1599 CG ASP A 101 -11.902 -0.023 -8.055 0.15 0.00 C ATOM 1600 OD1 ASP A 101 -11.531 0.646 -9.045 0.20 0.00 O ATOM 1601 OD2 ASP A 101 -11.684 -1.248 -7.937 0.14 0.00 O ATOM 0 H ASP A 101 -10.694 2.413 -7.862 0.28 0.00 H new ATOM 0 HA ASP A 101 -12.384 2.195 -5.439 0.25 0.00 H new ATOM 0 HB2 ASP A 101 -13.023 -0.051 -6.234 0.86 0.00 H new ATOM 0 HB3 ASP A 101 -13.528 1.185 -7.369 0.86 0.00 H new ATOM 1606 N VAL A 102 -10.904 -0.050 -4.805 1.00 0.00 N ATOM 1607 CA VAL A 102 -9.878 -0.808 -4.094 1.00 0.00 C ATOM 1608 C VAL A 102 -8.791 -1.310 -5.042 0.46 0.00 C ATOM 1609 O VAL A 102 -7.648 -1.518 -4.634 0.15 0.00 O ATOM 1610 CB VAL A 102 -10.494 -2.011 -3.346 0.24 0.00 C ATOM 1611 CG1 VAL A 102 -9.422 -2.797 -2.607 1.00 0.00 C ATOM 1612 CG2 VAL A 102 -11.578 -1.544 -2.386 0.13 0.00 C ATOM 0 H VAL A 102 -11.850 -0.413 -4.686 1.00 0.00 H new ATOM 0 HA VAL A 102 -9.427 -0.127 -3.372 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.949 -2.673 -4.082 0.24 0.00 H new ATOM 0 HG11 VAL A 102 -9.881 -3.639 -2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -8.686 -3.168 -3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -8.930 -2.149 -1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.001 -2.405 -1.868 0.13 0.00 H new ATOM 0 HG22 VAL A 102 -11.147 -0.857 -1.657 0.13 0.00 H new ATOM 0 HG23 VAL A 102 -12.364 -1.035 -2.944 0.13 0.00 H new ATOM 1622 N SER A 103 -9.146 -1.499 -6.307 0.13 0.00 N ATOM 1623 CA SER A 103 -8.190 -1.976 -7.302 1.00 0.00 C ATOM 1624 C SER A 103 -7.136 -0.914 -7.598 0.08 0.00 C ATOM 1625 O SER A 103 -5.982 -1.233 -7.890 0.67 0.00 O ATOM 1626 CB SER A 103 -8.916 -2.362 -8.592 0.68 0.00 C ATOM 1627 OG SER A 103 -9.848 -3.403 -8.363 1.00 0.00 O ATOM 0 H SER A 103 -10.085 -1.330 -6.668 0.13 0.00 H new ATOM 0 HA SER A 103 -7.690 -2.855 -6.896 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.432 -1.491 -8.997 0.68 0.00 H new ATOM 0 HB3 SER A 103 -8.190 -2.679 -9.340 0.68 0.00 H new ATOM 0 HG SER A 103 -10.716 -3.018 -8.123 1.00 0.00 H new ATOM 1633 N SER A 104 -7.540 0.350 -7.517 1.00 0.00 N ATOM 1634 CA SER A 104 -6.640 1.466 -7.789 0.23 0.00 C ATOM 1635 C SER A 104 -5.624 1.672 -6.665 0.84 0.00 C ATOM 1636 O SER A 104 -4.429 1.809 -6.920 0.22 0.00 O ATOM 1637 CB SER A 104 -7.447 2.749 -8.000 0.13 0.00 C ATOM 1638 OG SER A 104 -8.329 2.620 -9.102 0.40 0.00 O ATOM 0 H SER A 104 -8.488 0.628 -7.264 1.00 0.00 H new ATOM 0 HA SER A 104 -6.085 1.225 -8.696 0.23 0.00 H new ATOM 0 HB2 SER A 104 -8.016 2.977 -7.099 0.13 0.00 H new ATOM 0 HB3 SER A 104 -6.769 3.586 -8.169 0.13 0.00 H new ATOM 0 HG SER A 104 -9.041 3.290 -9.031 0.40 0.00 H new ATOM 1644 N ILE A 105 -6.104 1.694 -5.423 0.12 0.00 N ATOM 1645 CA ILE A 105 -5.228 1.898 -4.272 0.13 0.00 C ATOM 1646 C ILE A 105 -4.124 0.845 -4.215 0.55 0.00 C ATOM 1647 O ILE A 105 -2.984 1.149 -3.864 0.32 0.00 O ATOM 1648 CB ILE A 105 -6.029 1.899 -2.948 0.07 0.00 C ATOM 1649 CG1 ILE A 105 -5.146 2.342 -1.767 0.13 0.00 C ATOM 1650 CG2 ILE A 105 -6.651 0.532 -2.692 1.00 0.00 C ATOM 1651 CD1 ILE A 105 -4.360 1.223 -1.104 0.07 0.00 C ATOM 0 H ILE A 105 -7.089 1.574 -5.189 0.12 0.00 H new ATOM 0 HA ILE A 105 -4.763 2.876 -4.396 0.13 0.00 H new ATOM 0 HB ILE A 105 -6.839 2.623 -3.042 0.07 0.00 H new ATOM 0 HG12 ILE A 105 -4.446 3.099 -2.119 0.13 0.00 H new ATOM 0 HG13 ILE A 105 -5.778 2.817 -1.017 0.13 0.00 H new ATOM 0 HG21 ILE A 105 -7.209 0.556 -1.756 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -7.325 0.280 -3.510 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -5.864 -0.219 -2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.768 1.630 -0.284 0.07 0.00 H new ATOM 0 HD12 ILE A 105 -5.050 0.474 -0.716 0.07 0.00 H new ATOM 0 HD13 ILE A 105 -3.697 0.761 -1.836 0.07 0.00 H new ATOM 1663 N LEU A 106 -4.462 -0.393 -4.568 1.00 0.00 N ATOM 1664 CA LEU A 106 -3.490 -1.481 -4.554 0.24 0.00 C ATOM 1665 C LEU A 106 -2.431 -1.277 -5.632 0.51 0.00 C ATOM 1666 O LEU A 106 -1.232 -1.318 -5.356 0.06 0.00 O ATOM 1667 CB LEU A 106 -4.187 -2.828 -4.765 0.41 0.00 C ATOM 1668 CG LEU A 106 -5.180 -3.227 -3.671 0.26 0.00 C ATOM 1669 CD1 LEU A 106 -5.882 -4.524 -4.041 1.00 0.00 C ATOM 1670 CD2 LEU A 106 -4.472 -3.366 -2.330 0.48 0.00 C ATOM 0 H LEU A 106 -5.398 -0.666 -4.866 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.003 -1.481 -3.579 0.24 0.00 H new ATOM 0 HB2 LEU A 106 -4.714 -2.801 -5.719 0.41 0.00 H new ATOM 0 HB3 LEU A 106 -3.426 -3.604 -4.843 0.41 0.00 H new ATOM 0 HG LEU A 106 -5.930 -2.441 -3.582 0.26 0.00 H new ATOM 0 HD11 LEU A 106 -6.585 -4.795 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.421 -4.391 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.143 -5.317 -4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.194 -3.650 -1.565 0.48 0.00 H new ATOM 0 HD22 LEU A 106 -3.701 -4.133 -2.403 0.48 0.00 H new ATOM 0 HD23 LEU A 106 -4.013 -2.415 -2.060 0.48 0.00 H new ATOM 1682 N THR A 107 -2.886 -1.056 -6.861 0.63 0.00 N ATOM 1683 CA THR A 107 -1.984 -0.846 -7.988 0.06 0.00 C ATOM 1684 C THR A 107 -1.105 0.383 -7.775 0.90 0.00 C ATOM 1685 O THR A 107 0.006 0.461 -8.301 0.65 0.00 O ATOM 1686 CB THR A 107 -2.767 -0.685 -9.305 0.34 0.00 C ATOM 1687 OG1 THR A 107 -3.721 0.379 -9.183 0.48 0.00 O ATOM 1688 CG2 THR A 107 -3.484 -1.977 -9.669 0.08 0.00 C ATOM 0 H THR A 107 -3.876 -1.018 -7.102 0.63 0.00 H new ATOM 0 HA THR A 107 -1.349 -1.729 -8.054 0.06 0.00 H new ATOM 0 HB THR A 107 -2.057 -0.446 -10.097 0.34 0.00 H new ATOM 0 HG1 THR A 107 -3.729 0.707 -8.259 0.48 0.00 H new ATOM 0 HG21 THR A 107 -4.030 -1.840 -10.602 0.08 0.00 H new ATOM 0 HG22 THR A 107 -2.753 -2.777 -9.790 0.08 0.00 H new ATOM 0 HG23 THR A 107 -4.183 -2.241 -8.875 0.08 0.00 H new ATOM 1696 N SER A 108 -1.607 1.340 -7.000 0.10 0.00 N ATOM 1697 CA SER A 108 -0.868 2.568 -6.721 0.12 0.00 C ATOM 1698 C SER A 108 0.371 2.285 -5.877 0.32 0.00 C ATOM 1699 O SER A 108 1.466 2.748 -6.194 0.09 0.00 O ATOM 1700 CB SER A 108 -1.765 3.578 -6.005 0.08 0.00 C ATOM 1701 OG SER A 108 -2.862 3.952 -6.820 0.79 0.00 O ATOM 0 H SER A 108 -2.523 1.289 -6.554 0.10 0.00 H new ATOM 0 HA SER A 108 -0.546 2.988 -7.674 0.12 0.00 H new ATOM 0 HB2 SER A 108 -2.130 3.148 -5.073 0.08 0.00 H new ATOM 0 HB3 SER A 108 -1.185 4.462 -5.742 0.08 0.00 H new ATOM 0 HG SER A 108 -3.549 3.254 -6.784 0.79 0.00 H new ATOM 1707 N ILE A 109 0.190 1.526 -4.800 1.00 0.00 N ATOM 1708 CA ILE A 109 1.296 1.184 -3.913 1.00 0.00 C ATOM 1709 C ILE A 109 2.342 0.346 -4.640 0.52 0.00 C ATOM 1710 O ILE A 109 3.543 0.526 -4.439 0.11 0.00 O ATOM 1711 CB ILE A 109 0.803 0.414 -2.669 0.18 0.00 C ATOM 1712 CG1 ILE A 109 -0.254 1.236 -1.927 0.05 0.00 C ATOM 1713 CG2 ILE A 109 1.974 0.086 -1.750 0.07 0.00 C ATOM 1714 CD1 ILE A 109 -0.850 0.527 -0.729 0.35 0.00 C ATOM 0 H ILE A 109 -0.711 1.137 -4.521 1.00 0.00 H new ATOM 0 HA ILE A 109 1.748 2.122 -3.591 1.00 0.00 H new ATOM 0 HB ILE A 109 0.349 -0.523 -2.991 0.18 0.00 H new ATOM 0 HG12 ILE A 109 0.194 2.173 -1.597 0.05 0.00 H new ATOM 0 HG13 ILE A 109 -1.054 1.492 -2.621 0.05 0.00 H new ATOM 0 HG21 ILE A 109 1.611 -0.457 -0.877 0.07 0.00 H new ATOM 0 HG22 ILE A 109 2.696 -0.530 -2.286 0.07 0.00 H new ATOM 0 HG23 ILE A 109 2.454 1.010 -1.428 0.07 0.00 H new ATOM 0 HD11 ILE A 109 -1.590 1.172 -0.256 0.35 0.00 H new ATOM 0 HD12 ILE A 109 -1.329 -0.397 -1.054 0.35 0.00 H new ATOM 0 HD13 ILE A 109 -0.061 0.295 -0.014 0.35 0.00 H new ATOM 1726 N GLN A 110 1.879 -0.569 -5.485 1.00 0.00 N ATOM 1727 CA GLN A 110 2.778 -1.430 -6.245 1.00 0.00 C ATOM 1728 C GLN A 110 3.689 -0.595 -7.138 0.07 0.00 C ATOM 1729 O GLN A 110 4.899 -0.814 -7.188 0.49 0.00 O ATOM 1730 CB GLN A 110 1.979 -2.417 -7.099 0.14 0.00 C ATOM 1731 CG GLN A 110 2.840 -3.483 -7.758 1.00 0.00 C ATOM 1732 CD GLN A 110 2.164 -4.131 -8.952 0.35 0.00 C ATOM 1733 OE1 GLN A 110 0.837 -4.187 -8.931 0.95 0.00 O flip ATOM 1734 NE2 GLN A 110 2.828 -4.578 -9.887 0.37 0.00 N flip ATOM 0 H GLN A 110 0.888 -0.733 -5.661 1.00 0.00 H new ATOM 0 HA GLN A 110 3.392 -1.989 -5.539 1.00 0.00 H new ATOM 0 HB2 GLN A 110 1.229 -2.902 -6.474 0.14 0.00 H new ATOM 0 HB3 GLN A 110 1.442 -1.866 -7.871 0.14 0.00 H new ATOM 0 HG2 GLN A 110 3.781 -3.036 -8.078 1.00 0.00 H new ATOM 0 HG3 GLN A 110 3.084 -4.251 -7.024 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.846 -4.516 -9.865 0.37 0.00 H new ATOM 0 HE22 GLN A 110 2.360 -5.011 -10.684 0.37 0.00 H new ATOM 1743 N SER A 111 3.094 0.367 -7.837 0.22 0.00 N ATOM 1744 CA SER A 111 3.844 1.245 -8.726 0.06 0.00 C ATOM 1745 C SER A 111 4.752 2.172 -7.927 0.21 0.00 C ATOM 1746 O SER A 111 5.806 2.592 -8.407 0.27 0.00 O ATOM 1747 CB SER A 111 2.886 2.068 -9.591 0.41 0.00 C ATOM 1748 OG SER A 111 2.066 1.228 -10.385 0.10 0.00 O ATOM 0 H SER A 111 2.093 0.558 -7.804 0.22 0.00 H new ATOM 0 HA SER A 111 4.464 0.626 -9.374 0.06 0.00 H new ATOM 0 HB2 SER A 111 2.261 2.693 -8.953 0.41 0.00 H new ATOM 0 HB3 SER A 111 3.456 2.738 -10.234 0.41 0.00 H new ATOM 0 HG SER A 111 1.336 0.871 -9.837 0.10 0.00 H new ATOM 1754 N LEU A 112 4.334 2.488 -6.705 0.12 0.00 N ATOM 1755 CA LEU A 112 5.104 3.365 -5.832 1.00 0.00 C ATOM 1756 C LEU A 112 6.495 2.786 -5.591 0.19 0.00 C ATOM 1757 O LEU A 112 7.481 3.518 -5.518 0.14 0.00 O ATOM 1758 CB LEU A 112 4.365 3.555 -4.501 0.90 0.00 C ATOM 1759 CG LEU A 112 4.627 4.878 -3.769 1.00 0.00 C ATOM 1760 CD1 LEU A 112 6.056 4.940 -3.251 0.37 0.00 C ATOM 1761 CD2 LEU A 112 4.336 6.065 -4.677 0.07 0.00 C ATOM 0 H LEU A 112 3.463 2.148 -6.297 0.12 0.00 H new ATOM 0 HA LEU A 112 5.215 4.336 -6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.294 3.472 -4.688 0.90 0.00 H new ATOM 0 HB3 LEU A 112 4.637 2.735 -3.837 0.90 0.00 H new ATOM 0 HG LEU A 112 3.953 4.927 -2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.216 5.887 -2.736 0.37 0.00 H new ATOM 0 HD12 LEU A 112 6.228 4.117 -2.557 0.37 0.00 H new ATOM 0 HD13 LEU A 112 6.750 4.860 -4.088 0.37 0.00 H new ATOM 0 HD21 LEU A 112 4.529 6.992 -4.137 0.07 0.00 H new ATOM 0 HD22 LEU A 112 4.979 6.017 -5.556 0.07 0.00 H new ATOM 0 HD23 LEU A 112 3.292 6.037 -4.989 0.07 0.00 H new ATOM 1773 N LEU A 113 6.564 1.462 -5.481 1.00 0.00 N ATOM 1774 CA LEU A 113 7.834 0.780 -5.254 1.00 0.00 C ATOM 1775 C LEU A 113 8.754 0.950 -6.454 0.22 0.00 C ATOM 1776 O LEU A 113 9.957 1.169 -6.304 1.00 0.00 O ATOM 1777 CB LEU A 113 7.607 -0.712 -5.007 0.72 0.00 C ATOM 1778 CG LEU A 113 6.308 -1.072 -4.290 0.05 0.00 C ATOM 1779 CD1 LEU A 113 6.212 -2.577 -4.103 0.08 0.00 C ATOM 1780 CD2 LEU A 113 6.220 -0.356 -2.953 1.00 0.00 C ATOM 0 H LEU A 113 5.757 0.841 -5.545 1.00 0.00 H new ATOM 0 HA LEU A 113 8.299 1.226 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.626 -1.228 -5.967 0.72 0.00 H new ATOM 0 HB3 LEU A 113 8.442 -1.096 -4.422 0.72 0.00 H new ATOM 0 HG LEU A 113 5.468 -0.746 -4.904 0.05 0.00 H new ATOM 0 HD11 LEU A 113 5.281 -2.821 -3.591 0.08 0.00 H new ATOM 0 HD12 LEU A 113 6.229 -3.066 -5.077 0.08 0.00 H new ATOM 0 HD13 LEU A 113 7.056 -2.924 -3.507 0.08 0.00 H new ATOM 0 HD21 LEU A 113 5.288 -0.625 -2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 113 7.062 -0.650 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.247 0.722 -3.115 1.00 0.00 H new ATOM 1792 N ASP A 114 8.173 0.843 -7.642 1.00 0.00 N ATOM 1793 CA ASP A 114 8.929 0.970 -8.878 1.00 0.00 C ATOM 1794 C ASP A 114 9.656 2.310 -8.945 0.06 0.00 C ATOM 1795 O ASP A 114 10.886 2.358 -8.984 0.83 0.00 O ATOM 1796 CB ASP A 114 7.998 0.819 -10.083 0.40 0.00 C ATOM 1797 CG ASP A 114 8.737 0.903 -11.404 1.00 0.00 C ATOM 1798 OD1 ASP A 114 9.675 0.105 -11.612 0.87 0.00 O ATOM 1799 OD2 ASP A 114 8.374 1.763 -12.233 1.00 0.00 O ATOM 0 H ASP A 114 7.177 0.668 -7.774 1.00 0.00 H new ATOM 0 HA ASP A 114 9.676 0.177 -8.899 1.00 0.00 H new ATOM 0 HB2 ASP A 114 7.481 -0.138 -10.020 0.40 0.00 H new ATOM 0 HB3 ASP A 114 7.235 1.596 -10.048 0.40 0.00 H new ATOM 1804 N GLU A 115 8.890 3.397 -8.955 1.00 0.00 N ATOM 1805 CA GLU A 115 9.464 4.736 -9.024 1.00 0.00 C ATOM 1806 C GLU A 115 8.757 5.694 -8.064 0.13 0.00 C ATOM 1807 O GLU A 115 7.691 6.223 -8.383 1.00 0.00 O ATOM 1808 CB GLU A 115 9.373 5.280 -10.451 0.24 0.00 C ATOM 1809 CG GLU A 115 10.038 4.386 -11.486 1.00 0.00 C ATOM 1810 CD GLU A 115 10.001 4.983 -12.880 0.54 0.00 C ATOM 1811 OE1 GLU A 115 8.998 4.764 -13.593 0.11 0.00 O ATOM 1812 OE2 GLU A 115 10.974 5.668 -13.259 0.77 0.00 O ATOM 0 H GLU A 115 7.871 3.376 -8.916 1.00 0.00 H new ATOM 0 HA GLU A 115 10.511 4.663 -8.729 1.00 0.00 H new ATOM 0 HB2 GLU A 115 8.324 5.410 -10.715 0.24 0.00 H new ATOM 0 HB3 GLU A 115 9.835 6.267 -10.485 0.24 0.00 H new ATOM 0 HG2 GLU A 115 11.074 4.210 -11.197 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.541 3.416 -11.496 1.00 0.00 H new ATOM 1886 N PRO A 121 10.557 14.485 0.561 1.00 0.00 N ATOM 1887 CA PRO A 121 11.043 13.386 1.403 0.95 0.00 C ATOM 1888 C PRO A 121 10.240 13.238 2.692 0.60 0.00 C ATOM 1889 O PRO A 121 10.185 14.158 3.509 0.42 0.00 O ATOM 1890 CB PRO A 121 12.482 13.794 1.718 0.87 0.00 C ATOM 1891 CG PRO A 121 12.473 15.281 1.651 0.82 0.00 C ATOM 1892 CD PRO A 121 11.477 15.642 0.583 0.14 0.00 C ATOM 0 HA PRO A 121 10.955 12.422 0.902 0.95 0.00 H new ATOM 0 HB2 PRO A 121 12.787 13.443 2.704 0.87 0.00 H new ATOM 0 HB3 PRO A 121 13.181 13.369 0.998 0.87 0.00 H new ATOM 0 HG2 PRO A 121 12.190 15.713 2.611 0.82 0.00 H new ATOM 0 HG3 PRO A 121 13.463 15.667 1.408 0.82 0.00 H new ATOM 0 HD2 PRO A 121 10.952 16.567 0.820 0.14 0.00 H new ATOM 0 HD3 PRO A 121 11.960 15.789 -0.383 0.14 0.00 H new ATOM 1900 N ALA A 122 9.623 12.073 2.869 0.32 0.00 N ATOM 1901 CA ALA A 122 8.827 11.802 4.062 0.44 0.00 C ATOM 1902 C ALA A 122 9.684 11.172 5.154 1.00 0.00 C ATOM 1903 O ALA A 122 9.401 11.321 6.342 0.32 0.00 O ATOM 1904 CB ALA A 122 7.649 10.902 3.721 0.54 0.00 C ATOM 0 H ALA A 122 9.659 11.302 2.202 0.32 0.00 H new ATOM 0 HA ALA A 122 8.442 12.750 4.438 0.44 0.00 H new ATOM 0 HB1 ALA A 122 7.066 10.710 4.621 0.54 0.00 H new ATOM 0 HB2 ALA A 122 7.019 11.392 2.979 0.54 0.00 H new ATOM 0 HB3 ALA A 122 8.017 9.958 3.318 0.54 0.00 H new ATOM 1910 N ASN A 123 10.731 10.463 4.740 1.00 0.00 N ATOM 1911 CA ASN A 123 11.639 9.815 5.679 0.09 0.00 C ATOM 1912 C ASN A 123 13.071 10.289 5.442 1.00 0.00 C ATOM 1913 O ASN A 123 13.748 9.824 4.524 1.00 0.00 O ATOM 1914 CB ASN A 123 11.551 8.294 5.539 0.22 0.00 C ATOM 1915 CG ASN A 123 12.136 7.568 6.735 0.85 0.00 C ATOM 1916 OD1 ASN A 123 13.319 7.233 6.756 0.71 0.00 O ATOM 1917 ND2 ASN A 123 11.304 7.321 7.741 0.13 0.00 N ATOM 0 H ASN A 123 10.971 10.323 3.759 1.00 0.00 H new ATOM 0 HA ASN A 123 11.346 10.087 6.693 0.09 0.00 H new ATOM 0 HB2 ASN A 123 10.508 8.003 5.416 0.22 0.00 H new ATOM 0 HB3 ASN A 123 12.077 7.984 4.636 0.22 0.00 H new ATOM 0 HD21 ASN A 123 11.640 6.835 8.573 0.13 0.00 H new ATOM 0 HD22 ASN A 123 10.330 7.617 7.681 0.13 0.00 H new ATOM 1924 N SER A 124 13.521 11.223 6.275 0.06 0.00 N ATOM 1925 CA SER A 124 14.861 11.785 6.153 0.09 0.00 C ATOM 1926 C SER A 124 15.944 10.743 6.416 0.06 0.00 C ATOM 1927 O SER A 124 17.032 10.815 5.845 0.65 0.00 O ATOM 1928 CB SER A 124 15.029 12.960 7.119 0.38 0.00 C ATOM 1929 OG SER A 124 16.335 13.504 7.042 0.21 0.00 O ATOM 0 H SER A 124 12.974 11.608 7.045 0.06 0.00 H new ATOM 0 HA SER A 124 14.976 12.133 5.126 0.09 0.00 H new ATOM 0 HB2 SER A 124 14.296 13.733 6.887 0.38 0.00 H new ATOM 0 HB3 SER A 124 14.830 12.628 8.138 0.38 0.00 H new ATOM 0 HG SER A 124 16.414 14.254 7.668 0.21 0.00 H new ATOM 1935 N GLN A 125 15.647 9.778 7.279 0.10 0.00 N ATOM 1936 CA GLN A 125 16.610 8.733 7.618 0.05 0.00 C ATOM 1937 C GLN A 125 16.980 7.891 6.398 0.39 0.00 C ATOM 1938 O GLN A 125 18.158 7.673 6.119 0.20 0.00 O ATOM 1939 CB GLN A 125 16.048 7.829 8.718 0.36 0.00 C ATOM 1940 CG GLN A 125 17.044 6.798 9.220 1.00 0.00 C ATOM 1941 CD GLN A 125 16.466 5.904 10.300 0.97 0.00 C ATOM 1942 OE1 GLN A 125 15.267 5.625 10.318 0.78 0.00 O ATOM 1943 NE2 GLN A 125 17.320 5.452 11.211 0.14 0.00 N ATOM 0 H GLN A 125 14.749 9.696 7.757 0.10 0.00 H new ATOM 0 HA GLN A 125 17.514 9.225 7.978 0.05 0.00 H new ATOM 0 HB2 GLN A 125 15.723 8.447 9.555 0.36 0.00 H new ATOM 0 HB3 GLN A 125 15.164 7.315 8.339 0.36 0.00 H new ATOM 0 HG2 GLN A 125 17.376 6.183 8.384 1.00 0.00 H new ATOM 0 HG3 GLN A 125 17.925 7.309 9.610 1.00 0.00 H new ATOM 0 HE21 GLN A 125 18.306 5.709 11.158 0.14 0.00 H new ATOM 0 HE22 GLN A 125 16.990 4.848 11.964 0.14 0.00 H new ATOM 1952 N ALA A 126 15.967 7.421 5.677 1.00 0.00 N ATOM 1953 CA ALA A 126 16.185 6.589 4.498 0.23 0.00 C ATOM 1954 C ALA A 126 16.937 7.340 3.402 0.33 0.00 C ATOM 1955 O ALA A 126 17.934 6.845 2.873 0.08 0.00 O ATOM 1956 CB ALA A 126 14.856 6.075 3.966 0.29 0.00 C ATOM 0 H ALA A 126 14.986 7.602 5.889 1.00 0.00 H new ATOM 0 HA ALA A 126 16.804 5.744 4.801 0.23 0.00 H new ATOM 0 HB1 ALA A 126 15.031 5.456 3.086 0.29 0.00 H new ATOM 0 HB2 ALA A 126 14.361 5.482 4.735 0.29 0.00 H new ATOM 0 HB3 ALA A 126 14.222 6.919 3.695 0.29 0.00 H new ATOM 1962 N ALA A 127 16.456 8.531 3.060 0.08 0.00 N ATOM 1963 CA ALA A 127 17.081 9.337 2.017 1.00 0.00 C ATOM 1964 C ALA A 127 18.510 9.726 2.388 0.18 0.00 C ATOM 1965 O ALA A 127 19.396 9.757 1.532 0.09 0.00 O ATOM 1966 CB ALA A 127 16.250 10.581 1.739 0.42 0.00 C ATOM 0 H ALA A 127 15.636 8.959 3.490 0.08 0.00 H new ATOM 0 HA ALA A 127 17.126 8.730 1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 127 16.729 11.172 0.959 0.42 0.00 H new ATOM 0 HB2 ALA A 127 15.253 10.287 1.411 0.42 0.00 H new ATOM 0 HB3 ALA A 127 16.171 11.177 2.648 0.42 0.00 H new ATOM 1972 N GLN A 128 18.730 10.020 3.665 0.53 0.00 N ATOM 1973 CA GLN A 128 20.053 10.413 4.143 0.58 0.00 C ATOM 1974 C GLN A 128 21.051 9.267 4.010 0.31 0.00 C ATOM 1975 O GLN A 128 22.173 9.460 3.540 0.07 0.00 O ATOM 1976 CB GLN A 128 19.978 10.869 5.604 1.00 0.00 C ATOM 1977 CG GLN A 128 21.303 11.375 6.151 0.30 0.00 C ATOM 1978 CD GLN A 128 21.200 11.844 7.590 0.66 0.00 C ATOM 1979 OE1 GLN A 128 20.381 11.345 8.362 0.08 0.00 O ATOM 1980 NE2 GLN A 128 22.036 12.808 7.958 0.05 0.00 N ATOM 0 H GLN A 128 18.011 9.994 4.388 0.53 0.00 H new ATOM 0 HA GLN A 128 20.398 11.242 3.525 0.58 0.00 H new ATOM 0 HB2 GLN A 128 19.232 11.659 5.692 1.00 0.00 H new ATOM 0 HB3 GLN A 128 19.634 10.037 6.219 1.00 0.00 H new ATOM 0 HG2 GLN A 128 22.046 10.581 6.084 0.30 0.00 H new ATOM 0 HG3 GLN A 128 21.658 12.197 5.530 0.30 0.00 H new ATOM 0 HE21 GLN A 128 22.699 13.193 7.285 0.05 0.00 H new ATOM 0 HE22 GLN A 128 22.015 13.164 8.914 0.05 0.00 H new ATOM 1989 N LEU A 129 20.634 8.075 4.421 0.08 0.00 N ATOM 1990 CA LEU A 129 21.488 6.895 4.357 1.00 0.00 C ATOM 1991 C LEU A 129 21.864 6.558 2.917 0.59 0.00 C ATOM 1992 O LEU A 129 22.909 5.955 2.665 0.42 0.00 O ATOM 1993 CB LEU A 129 20.789 5.701 5.011 0.24 0.00 C ATOM 1994 CG LEU A 129 20.635 5.795 6.532 0.70 0.00 C ATOM 1995 CD1 LEU A 129 19.793 4.643 7.054 0.09 0.00 C ATOM 1996 CD2 LEU A 129 22.000 5.806 7.205 1.00 0.00 C ATOM 0 H LEU A 129 19.705 7.900 4.804 0.08 0.00 H new ATOM 0 HA LEU A 129 22.406 7.116 4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 129 19.800 5.590 4.567 0.24 0.00 H new ATOM 0 HB3 LEU A 129 21.348 4.796 4.773 0.24 0.00 H new ATOM 0 HG LEU A 129 20.126 6.729 6.770 0.70 0.00 H new ATOM 0 HD11 LEU A 129 19.694 4.726 8.136 0.09 0.00 H new ATOM 0 HD12 LEU A 129 18.805 4.678 6.596 0.09 0.00 H new ATOM 0 HD13 LEU A 129 20.275 3.698 6.805 0.09 0.00 H new ATOM 0 HD21 LEU A 129 21.872 5.873 8.285 1.00 0.00 H new ATOM 0 HD22 LEU A 129 22.534 4.888 6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 129 22.572 6.664 6.853 1.00 0.00 H new ATOM 2008 N TYR A 130 21.007 6.945 1.977 0.35 0.00 N ATOM 2009 CA TYR A 130 21.247 6.678 0.563 0.22 0.00 C ATOM 2010 C TYR A 130 22.622 7.181 0.130 0.44 0.00 C ATOM 2011 O TYR A 130 23.297 6.546 -0.681 0.06 0.00 O ATOM 2012 CB TYR A 130 20.160 7.330 -0.295 1.00 0.00 C ATOM 2013 CG TYR A 130 20.308 7.052 -1.773 0.84 0.00 C ATOM 2014 CD1 TYR A 130 19.850 5.860 -2.324 1.00 0.00 C ATOM 2015 CD2 TYR A 130 20.905 7.977 -2.618 0.09 0.00 C ATOM 2016 CE1 TYR A 130 19.986 5.600 -3.675 0.29 0.00 C ATOM 2017 CE2 TYR A 130 21.044 7.726 -3.970 0.17 0.00 C ATOM 2018 CZ TYR A 130 20.583 6.537 -4.492 0.07 0.00 C ATOM 2019 OH TYR A 130 20.722 6.283 -5.838 0.21 0.00 O ATOM 0 H TYR A 130 20.139 7.445 2.169 0.35 0.00 H new ATOM 0 HA TYR A 130 21.217 5.598 0.419 0.22 0.00 H new ATOM 0 HB2 TYR A 130 19.185 6.974 0.037 1.00 0.00 H new ATOM 0 HB3 TYR A 130 20.179 8.408 -0.133 1.00 0.00 H new ATOM 0 HD1 TYR A 130 19.381 5.126 -1.686 1.00 0.00 H new ATOM 0 HD2 TYR A 130 21.267 8.910 -2.212 0.09 0.00 H new ATOM 0 HE1 TYR A 130 19.627 4.669 -4.088 0.29 0.00 H new ATOM 0 HE2 TYR A 130 21.511 8.457 -4.613 0.17 0.00 H new ATOM 0 HH TYR A 130 21.162 7.044 -6.271 0.21 0.00 H new ATOM 2029 N GLN A 131 23.035 8.322 0.674 0.17 0.00 N ATOM 2030 CA GLN A 131 24.332 8.902 0.336 0.07 0.00 C ATOM 2031 C GLN A 131 25.350 8.663 1.447 0.10 0.00 C ATOM 2032 O GLN A 131 26.546 8.529 1.186 0.22 0.00 O ATOM 2033 CB GLN A 131 24.189 10.401 0.067 1.00 0.00 C ATOM 2034 CG GLN A 131 23.640 11.185 1.249 0.24 0.00 C ATOM 2035 CD GLN A 131 23.604 12.677 0.991 0.12 0.00 C ATOM 2036 OE1 GLN A 131 24.427 13.212 0.247 0.98 0.00 O ATOM 2037 NE2 GLN A 131 22.645 13.359 1.605 0.42 0.00 N ATOM 0 H GLN A 131 22.493 8.862 1.348 0.17 0.00 H new ATOM 0 HA GLN A 131 24.694 8.411 -0.567 0.07 0.00 H new ATOM 0 HB2 GLN A 131 25.163 10.807 -0.206 1.00 0.00 H new ATOM 0 HB3 GLN A 131 23.532 10.546 -0.791 1.00 0.00 H new ATOM 0 HG2 GLN A 131 22.633 10.835 1.477 0.24 0.00 H new ATOM 0 HG3 GLN A 131 24.253 10.987 2.128 0.24 0.00 H new ATOM 0 HE21 GLN A 131 21.984 12.875 2.213 0.42 0.00 H new ATOM 0 HE22 GLN A 131 22.569 14.367 1.469 0.42 0.00 H new ATOM 2046 N GLU A 132 24.869 8.611 2.685 1.00 0.00 N ATOM 2047 CA GLU A 132 25.741 8.387 3.836 1.00 0.00 C ATOM 2048 C GLU A 132 26.291 6.966 3.837 0.20 0.00 C ATOM 2049 O GLU A 132 27.457 6.739 3.515 0.19 0.00 O ATOM 2050 CB GLU A 132 24.981 8.650 5.137 1.00 0.00 C ATOM 2051 CG GLU A 132 24.634 10.114 5.358 0.08 0.00 C ATOM 2052 CD GLU A 132 25.864 10.993 5.484 0.10 0.00 C ATOM 2053 OE1 GLU A 132 26.403 11.101 6.604 1.00 0.00 O ATOM 2054 OE2 GLU A 132 26.287 11.573 4.461 0.71 0.00 O ATOM 0 H GLU A 132 23.882 8.721 2.918 1.00 0.00 H new ATOM 0 HA GLU A 132 26.578 9.081 3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 132 24.062 8.064 5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 132 25.582 8.298 5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 132 24.023 10.468 4.528 0.08 0.00 H new ATOM 0 HG3 GLU A 132 24.031 10.208 6.261 0.08 0.00 H new ATOM 2061 N ASN A 133 25.442 6.011 4.205 0.07 0.00 N ATOM 2062 CA ASN A 133 25.838 4.609 4.252 0.13 0.00 C ATOM 2063 C ASN A 133 24.958 3.765 3.340 0.23 0.00 C ATOM 2064 O ASN A 133 23.839 3.401 3.700 0.12 0.00 O ATOM 2065 CB ASN A 133 25.760 4.089 5.688 1.00 0.00 C ATOM 2066 CG ASN A 133 26.770 4.759 6.600 1.00 0.00 C ATOM 2067 OD1 ASN A 133 26.486 5.791 7.207 1.00 0.00 O ATOM 2068 ND2 ASN A 133 27.957 4.172 6.700 0.05 0.00 N ATOM 0 H ASN A 133 24.474 6.184 4.475 0.07 0.00 H new ATOM 0 HA ASN A 133 26.867 4.532 3.900 0.13 0.00 H new ATOM 0 HB2 ASN A 133 24.756 4.255 6.078 1.00 0.00 H new ATOM 0 HB3 ASN A 133 25.929 3.012 5.692 1.00 0.00 H new ATOM 0 HD21 ASN A 133 28.677 4.576 7.299 0.05 0.00 H new ATOM 0 HD22 ASN A 133 28.149 3.317 6.178 0.05 0.00 H new ATOM 2075 N LYS A 134 25.472 3.461 2.151 1.00 0.00 N ATOM 2076 CA LYS A 134 24.736 2.659 1.181 0.10 0.00 C ATOM 2077 C LYS A 134 24.617 1.214 1.652 1.00 0.00 C ATOM 2078 O LYS A 134 23.657 0.518 1.317 0.25 0.00 O ATOM 2079 CB LYS A 134 25.435 2.706 -0.179 0.59 0.00 C ATOM 2080 CG LYS A 134 25.603 4.114 -0.728 0.37 0.00 C ATOM 2081 CD LYS A 134 26.284 4.114 -2.089 0.99 0.00 C ATOM 2082 CE LYS A 134 27.768 3.796 -1.979 1.00 0.00 C ATOM 2083 NZ LYS A 134 28.018 2.342 -1.774 0.12 0.00 N ATOM 0 H LYS A 134 26.396 3.759 1.837 1.00 0.00 H new ATOM 0 HA LYS A 134 23.733 3.076 1.084 0.10 0.00 H new ATOM 0 HB2 LYS A 134 26.416 2.240 -0.090 0.59 0.00 H new ATOM 0 HB3 LYS A 134 24.864 2.112 -0.893 0.59 0.00 H new ATOM 0 HG2 LYS A 134 24.626 4.591 -0.811 0.37 0.00 H new ATOM 0 HG3 LYS A 134 26.190 4.709 -0.028 0.37 0.00 H new ATOM 0 HD2 LYS A 134 25.802 3.381 -2.736 0.99 0.00 H new ATOM 0 HD3 LYS A 134 26.155 5.089 -2.560 0.99 0.00 H new ATOM 0 HE2 LYS A 134 28.277 4.126 -2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 134 28.198 4.357 -1.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 28.250 2.167 -0.775 0.12 0.00 H new ATOM 0 HZ2 LYS A 134 27.166 1.804 -2.031 0.12 0.00 H new ATOM 0 HZ3 LYS A 134 28.813 2.039 -2.372 0.12 0.00 H new ATOM 2097 N ARG A 135 25.599 0.769 2.431 0.54 0.00 N ATOM 2098 CA ARG A 135 25.607 -0.595 2.951 0.12 0.00 C ATOM 2099 C ARG A 135 24.426 -0.825 3.886 1.00 0.00 C ATOM 2100 O ARG A 135 23.866 -1.919 3.936 0.74 0.00 O ATOM 2101 CB ARG A 135 26.919 -0.872 3.687 0.06 0.00 C ATOM 2102 CG ARG A 135 27.013 -2.275 4.267 0.11 0.00 C ATOM 2103 CD ARG A 135 28.311 -2.470 5.034 1.00 0.00 C ATOM 2104 NE ARG A 135 28.405 -3.801 5.628 0.07 0.00 N ATOM 2105 CZ ARG A 135 29.342 -4.152 6.503 0.59 0.00 C ATOM 2106 NH1 ARG A 135 30.259 -3.274 6.886 0.30 0.00 N ATOM 2107 NH2 ARG A 135 29.363 -5.383 6.996 0.19 0.00 N ATOM 0 H ARG A 135 26.400 1.333 2.716 0.54 0.00 H new ATOM 0 HA ARG A 135 25.519 -1.282 2.109 0.12 0.00 H new ATOM 0 HB2 ARG A 135 27.750 -0.717 2.999 0.06 0.00 H new ATOM 0 HB3 ARG A 135 27.033 -0.147 4.493 0.06 0.00 H new ATOM 0 HG2 ARG A 135 26.166 -2.454 4.929 0.11 0.00 H new ATOM 0 HG3 ARG A 135 26.950 -3.008 3.463 0.11 0.00 H new ATOM 0 HD2 ARG A 135 29.155 -2.313 4.363 1.00 0.00 H new ATOM 0 HD3 ARG A 135 28.384 -1.717 5.819 1.00 0.00 H new ATOM 0 HE ARG A 135 27.713 -4.500 5.356 0.07 0.00 H new ATOM 0 HH11 ARG A 135 30.247 -2.326 6.509 0.30 0.00 H new ATOM 0 HH12 ARG A 135 30.977 -3.546 7.558 0.30 0.00 H new ATOM 0 HH21 ARG A 135 28.660 -6.061 6.704 0.19 0.00 H new ATOM 0 HH22 ARG A 135 30.082 -5.651 7.667 0.19 0.00 H new ATOM 2121 N GLU A 136 24.050 0.215 4.622 1.00 0.00 N ATOM 2122 CA GLU A 136 22.934 0.125 5.555 0.72 0.00 C ATOM 2123 C GLU A 136 21.604 0.047 4.812 0.94 0.00 C ATOM 2124 O GLU A 136 20.634 -0.517 5.314 0.09 0.00 O ATOM 2125 CB GLU A 136 22.934 1.326 6.502 0.11 0.00 C ATOM 2126 CG GLU A 136 24.159 1.396 7.398 0.07 0.00 C ATOM 2127 CD GLU A 136 24.240 0.231 8.367 0.08 0.00 C ATOM 2128 OE1 GLU A 136 23.675 0.342 9.475 0.23 0.00 O ATOM 2129 OE2 GLU A 136 24.866 -0.791 8.016 1.00 0.00 O ATOM 0 H GLU A 136 24.501 1.129 4.590 1.00 0.00 H new ATOM 0 HA GLU A 136 23.056 -0.788 6.138 0.72 0.00 H new ATOM 0 HB2 GLU A 136 22.872 2.242 5.914 0.11 0.00 H new ATOM 0 HB3 GLU A 136 22.041 1.286 7.125 0.11 0.00 H new ATOM 0 HG2 GLU A 136 25.056 1.413 6.780 0.07 0.00 H new ATOM 0 HG3 GLU A 136 24.141 2.330 7.959 0.07 0.00 H new ATOM 2136 N TYR A 137 21.569 0.617 3.610 0.10 0.00 N ATOM 2137 CA TYR A 137 20.355 0.620 2.798 0.27 0.00 C ATOM 2138 C TYR A 137 20.056 -0.770 2.242 1.00 0.00 C ATOM 2139 O TYR A 137 18.927 -1.253 2.332 1.00 0.00 O ATOM 2140 CB TYR A 137 20.491 1.623 1.650 1.00 0.00 C ATOM 2141 CG TYR A 137 19.204 1.856 0.892 0.12 0.00 C ATOM 2142 CD1 TYR A 137 18.260 2.764 1.354 0.34 0.00 C ATOM 2143 CD2 TYR A 137 18.934 1.170 -0.286 1.00 0.00 C ATOM 2144 CE1 TYR A 137 17.081 2.982 0.664 0.09 0.00 C ATOM 2145 CE2 TYR A 137 17.759 1.382 -0.982 1.00 0.00 C ATOM 2146 CZ TYR A 137 16.836 2.288 -0.503 1.00 0.00 C ATOM 2147 OH TYR A 137 15.665 2.500 -1.192 0.05 0.00 O ATOM 0 H TYR A 137 22.367 1.082 3.177 0.10 0.00 H new ATOM 0 HA TYR A 137 19.524 0.915 3.439 0.27 0.00 H new ATOM 0 HB2 TYR A 137 20.844 2.574 2.050 1.00 0.00 H new ATOM 0 HB3 TYR A 137 21.252 1.266 0.956 1.00 0.00 H new ATOM 0 HD1 TYR A 137 18.450 3.309 2.267 0.34 0.00 H new ATOM 0 HD2 TYR A 137 19.654 0.459 -0.664 1.00 0.00 H new ATOM 0 HE1 TYR A 137 16.357 3.691 1.037 0.09 0.00 H new ATOM 0 HE2 TYR A 137 17.565 0.841 -1.896 1.00 0.00 H new ATOM 0 HH TYR A 137 15.649 1.934 -1.992 0.05 0.00 H new ATOM 2157 N GLU A 138 21.070 -1.409 1.664 0.71 0.00 N ATOM 2158 CA GLU A 138 20.909 -2.740 1.084 1.00 0.00 C ATOM 2159 C GLU A 138 20.682 -3.795 2.163 0.14 0.00 C ATOM 2160 O GLU A 138 19.957 -4.766 1.951 0.35 0.00 O ATOM 2161 CB GLU A 138 22.135 -3.105 0.245 0.29 0.00 C ATOM 2162 CG GLU A 138 23.438 -3.078 1.027 0.54 0.00 C ATOM 2163 CD GLU A 138 24.646 -3.374 0.159 0.40 0.00 C ATOM 2164 OE1 GLU A 138 24.987 -4.565 0.002 1.00 0.00 O ATOM 2165 OE2 GLU A 138 25.249 -2.413 -0.365 0.41 0.00 O ATOM 0 H GLU A 138 22.012 -1.027 1.585 0.71 0.00 H new ATOM 0 HA GLU A 138 20.028 -2.718 0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 138 21.994 -4.101 -0.175 0.29 0.00 H new ATOM 0 HB3 GLU A 138 22.210 -2.413 -0.594 0.29 0.00 H new ATOM 0 HG2 GLU A 138 23.559 -2.099 1.490 0.54 0.00 H new ATOM 0 HG3 GLU A 138 23.388 -3.808 1.835 0.54 0.00 H new ATOM 2172 N LYS A 139 21.311 -3.606 3.319 1.00 0.00 N ATOM 2173 CA LYS A 139 21.171 -4.548 4.426 0.14 0.00 C ATOM 2174 C LYS A 139 19.810 -4.399 5.101 0.82 0.00 C ATOM 2175 O LYS A 139 19.262 -5.364 5.632 0.07 0.00 O ATOM 2176 CB LYS A 139 22.291 -4.342 5.448 0.39 0.00 C ATOM 2177 CG LYS A 139 23.664 -4.761 4.947 0.05 0.00 C ATOM 2178 CD LYS A 139 23.732 -6.258 4.685 0.96 0.00 C ATOM 2179 CE LYS A 139 25.144 -6.698 4.331 1.00 0.00 C ATOM 2180 NZ LYS A 139 25.674 -5.972 3.144 0.11 0.00 N ATOM 0 H LYS A 139 21.921 -2.812 3.514 1.00 0.00 H new ATOM 0 HA LYS A 139 21.244 -5.557 4.021 0.14 0.00 H new ATOM 0 HB2 LYS A 139 22.323 -3.290 5.731 0.39 0.00 H new ATOM 0 HB3 LYS A 139 22.056 -4.907 6.350 0.39 0.00 H new ATOM 0 HG2 LYS A 139 23.898 -4.220 4.030 0.05 0.00 H new ATOM 0 HG3 LYS A 139 24.420 -4.485 5.682 0.05 0.00 H new ATOM 0 HD2 LYS A 139 23.392 -6.799 5.568 0.96 0.00 H new ATOM 0 HD3 LYS A 139 23.054 -6.517 3.872 0.96 0.00 H new ATOM 0 HE2 LYS A 139 25.801 -6.527 5.184 1.00 0.00 H new ATOM 0 HE3 LYS A 139 25.151 -7.770 4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 26.571 -6.405 2.844 0.11 0.00 H new ATOM 0 HZ2 LYS A 139 24.986 -6.029 2.367 0.11 0.00 H new ATOM 0 HZ3 LYS A 139 25.836 -4.975 3.391 0.11 0.00 H new ATOM 2194 N ARG A 140 19.272 -3.182 5.076 1.00 0.00 N ATOM 2195 CA ARG A 140 17.976 -2.906 5.685 1.00 0.00 C ATOM 2196 C ARG A 140 16.842 -3.466 4.832 0.06 0.00 C ATOM 2197 O ARG A 140 15.912 -4.089 5.349 0.31 0.00 O ATOM 2198 CB ARG A 140 17.789 -1.398 5.869 1.00 0.00 C ATOM 2199 CG ARG A 140 16.548 -1.026 6.664 0.07 0.00 C ATOM 2200 CD ARG A 140 16.656 -1.482 8.110 0.08 0.00 C ATOM 2201 NE ARG A 140 15.505 -1.061 8.904 0.29 0.00 N ATOM 2202 CZ ARG A 140 15.318 -1.412 10.173 0.07 0.00 C ATOM 2203 NH1 ARG A 140 16.199 -2.190 10.787 1.00 0.00 N ATOM 2204 NH2 ARG A 140 14.248 -0.985 10.829 0.64 0.00 N ATOM 0 H ARG A 140 19.714 -2.373 4.641 1.00 0.00 H new ATOM 0 HA ARG A 140 17.950 -3.394 6.659 1.00 0.00 H new ATOM 0 HB2 ARG A 140 18.666 -0.991 6.372 1.00 0.00 H new ATOM 0 HB3 ARG A 140 17.736 -0.926 4.888 1.00 0.00 H new ATOM 0 HG2 ARG A 140 16.404 0.054 6.632 0.07 0.00 H new ATOM 0 HG3 ARG A 140 15.670 -1.479 6.203 0.07 0.00 H new ATOM 0 HD2 ARG A 140 16.741 -2.568 8.142 0.08 0.00 H new ATOM 0 HD3 ARG A 140 17.568 -1.078 8.550 0.08 0.00 H new ATOM 0 HE ARG A 140 14.806 -0.465 8.461 0.29 0.00 H new ATOM 0 HH11 ARG A 140 17.023 -2.521 10.286 1.00 0.00 H new ATOM 0 HH12 ARG A 140 16.052 -2.457 11.760 1.00 0.00 H new ATOM 0 HH21 ARG A 140 13.568 -0.387 10.360 0.64 0.00 H new ATOM 0 HH22 ARG A 140 14.105 -1.255 11.802 0.64 0.00 H new ATOM 2218 N VAL A 141 16.925 -3.239 3.525 0.46 0.00 N ATOM 2219 CA VAL A 141 15.906 -3.716 2.594 0.09 0.00 C ATOM 2220 C VAL A 141 15.868 -5.242 2.550 0.53 0.00 C ATOM 2221 O VAL A 141 14.809 -5.839 2.360 0.36 0.00 O ATOM 2222 CB VAL A 141 16.148 -3.171 1.173 0.95 0.00 C ATOM 2223 CG1 VAL A 141 17.507 -3.612 0.652 0.11 0.00 C ATOM 2224 CG2 VAL A 141 15.042 -3.615 0.229 0.89 0.00 C ATOM 0 H VAL A 141 17.689 -2.726 3.085 0.46 0.00 H new ATOM 0 HA VAL A 141 14.946 -3.347 2.956 0.09 0.00 H new ATOM 0 HB VAL A 141 16.137 -2.082 1.221 0.95 0.00 H new ATOM 0 HG11 VAL A 141 17.657 -3.216 -0.352 0.11 0.00 H new ATOM 0 HG12 VAL A 141 18.289 -3.235 1.311 0.11 0.00 H new ATOM 0 HG13 VAL A 141 17.550 -4.701 0.623 0.11 0.00 H new ATOM 0 HG21 VAL A 141 15.234 -3.219 -0.768 0.89 0.00 H new ATOM 0 HG22 VAL A 141 15.014 -4.704 0.187 0.89 0.00 H new ATOM 0 HG23 VAL A 141 14.084 -3.241 0.590 0.89 0.00 H new ATOM 2234 N SER A 142 17.028 -5.865 2.718 0.09 0.00 N ATOM 2235 CA SER A 142 17.121 -7.320 2.699 0.05 0.00 C ATOM 2236 C SER A 142 16.499 -7.919 3.957 0.24 0.00 C ATOM 2237 O SER A 142 15.968 -9.028 3.932 0.28 0.00 O ATOM 2238 CB SER A 142 18.582 -7.759 2.579 0.53 0.00 C ATOM 2239 OG SER A 142 19.346 -7.295 3.678 0.40 0.00 O ATOM 0 H SER A 142 17.916 -5.387 2.869 0.09 0.00 H new ATOM 0 HA SER A 142 16.569 -7.684 1.832 0.05 0.00 H new ATOM 0 HB2 SER A 142 18.635 -8.847 2.529 0.53 0.00 H new ATOM 0 HB3 SER A 142 19.005 -7.376 1.650 0.53 0.00 H new ATOM 0 HG SER A 142 18.850 -6.592 4.147 0.40 0.00 H new ATOM 2245 N ALA A 143 16.571 -7.174 5.057 0.19 0.00 N ATOM 2246 CA ALA A 143 16.018 -7.628 6.329 0.16 0.00 C ATOM 2247 C ALA A 143 14.497 -7.719 6.272 0.24 0.00 C ATOM 2248 O ALA A 143 13.919 -8.768 6.555 0.23 0.00 O ATOM 2249 CB ALA A 143 16.451 -6.696 7.450 0.40 0.00 C ATOM 0 H ALA A 143 17.007 -6.253 5.093 0.19 0.00 H new ATOM 0 HA ALA A 143 16.404 -8.628 6.528 0.16 0.00 H new ATOM 0 HB1 ALA A 143 16.033 -7.044 8.394 0.40 0.00 H new ATOM 0 HB2 ALA A 143 17.539 -6.687 7.516 0.40 0.00 H new ATOM 0 HB3 ALA A 143 16.092 -5.688 7.244 0.40 0.00 H new ATOM 2255 N ILE A 144 13.854 -6.612 5.909 0.59 0.00 N ATOM 2256 CA ILE A 144 12.397 -6.566 5.820 0.33 0.00 C ATOM 2257 C ILE A 144 11.866 -7.635 4.870 0.18 0.00 C ATOM 2258 O ILE A 144 10.778 -8.174 5.073 1.00 0.00 O ATOM 2259 CB ILE A 144 11.904 -5.183 5.348 0.89 0.00 C ATOM 2260 CG1 ILE A 144 12.519 -4.831 3.990 0.17 0.00 C ATOM 2261 CG2 ILE A 144 12.244 -4.119 6.382 0.63 0.00 C ATOM 2262 CD1 ILE A 144 11.984 -3.547 3.389 0.21 0.00 C ATOM 0 H ILE A 144 14.319 -5.735 5.672 0.59 0.00 H new ATOM 0 HA ILE A 144 12.016 -6.756 6.823 0.33 0.00 H new ATOM 0 HB ILE A 144 10.821 -5.220 5.235 0.89 0.00 H new ATOM 0 HG12 ILE A 144 13.600 -4.745 4.103 0.17 0.00 H new ATOM 0 HG13 ILE A 144 12.335 -5.650 3.295 0.17 0.00 H new ATOM 0 HG21 ILE A 144 11.890 -3.148 6.035 0.63 0.00 H new ATOM 0 HG22 ILE A 144 11.762 -4.364 7.328 0.63 0.00 H new ATOM 0 HG23 ILE A 144 13.324 -4.082 6.524 0.63 0.00 H new ATOM 0 HD11 ILE A 144 12.467 -3.366 2.429 0.21 0.00 H new ATOM 0 HD12 ILE A 144 10.907 -3.635 3.243 0.21 0.00 H new ATOM 0 HD13 ILE A 144 12.192 -2.716 4.063 0.21 0.00 H new ATOM 2274 N VAL A 145 12.642 -7.939 3.835 0.16 0.00 N ATOM 2275 CA VAL A 145 12.250 -8.941 2.851 0.69 0.00 C ATOM 2276 C VAL A 145 12.496 -10.356 3.371 0.13 0.00 C ATOM 2277 O VAL A 145 11.713 -11.268 3.106 0.25 0.00 O ATOM 2278 CB VAL A 145 13.013 -8.742 1.524 0.08 0.00 C ATOM 2279 CG1 VAL A 145 12.814 -9.932 0.596 1.00 0.00 C ATOM 2280 CG2 VAL A 145 12.575 -7.456 0.845 1.00 0.00 C ATOM 0 H VAL A 145 13.547 -7.505 3.656 0.16 0.00 H new ATOM 0 HA VAL A 145 11.182 -8.814 2.671 0.69 0.00 H new ATOM 0 HB VAL A 145 14.076 -8.668 1.753 0.08 0.00 H new ATOM 0 HG11 VAL A 145 13.362 -9.766 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 145 13.184 -10.836 1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 145 11.753 -10.047 0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 145 13.124 -7.333 -0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 145 11.506 -7.501 0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 145 12.780 -6.610 1.501 1.00 0.00 H new ATOM 2290 N GLU A 146 13.582 -10.531 4.117 0.26 0.00 N ATOM 2291 CA GLU A 146 13.937 -11.837 4.664 0.22 0.00 C ATOM 2292 C GLU A 146 12.902 -12.314 5.680 0.08 0.00 C ATOM 2293 O GLU A 146 12.492 -13.476 5.663 0.06 0.00 O ATOM 2294 CB GLU A 146 15.321 -11.778 5.317 0.39 0.00 C ATOM 2295 CG GLU A 146 15.783 -13.104 5.897 0.19 0.00 C ATOM 2296 CD GLU A 146 17.206 -13.049 6.416 1.00 0.00 C ATOM 2297 OE1 GLU A 146 17.401 -12.618 7.572 1.00 0.00 O ATOM 2298 OE2 GLU A 146 18.126 -13.435 5.664 0.14 0.00 O ATOM 0 H GLU A 146 14.233 -9.784 4.357 0.26 0.00 H new ATOM 0 HA GLU A 146 13.957 -12.550 3.840 0.22 0.00 H new ATOM 0 HB2 GLU A 146 16.048 -11.443 4.577 0.39 0.00 H new ATOM 0 HB3 GLU A 146 15.307 -11.031 6.110 0.39 0.00 H new ATOM 0 HG2 GLU A 146 15.115 -13.394 6.708 0.19 0.00 H new ATOM 0 HG3 GLU A 146 15.709 -13.877 5.132 0.19 0.00 H new ATOM 2305 N GLN A 147 12.482 -11.413 6.563 0.41 0.00 N ATOM 2306 CA GLN A 147 11.499 -11.745 7.589 0.07 0.00 C ATOM 2307 C GLN A 147 10.162 -12.134 6.965 0.55 0.00 C ATOM 2308 O GLN A 147 9.407 -12.923 7.533 1.00 0.00 O ATOM 2309 CB GLN A 147 11.305 -10.565 8.541 1.00 0.00 C ATOM 2310 CG GLN A 147 12.560 -10.192 9.314 0.23 0.00 C ATOM 2311 CD GLN A 147 12.313 -9.103 10.339 0.17 0.00 C ATOM 2312 OE1 GLN A 147 11.214 -8.984 10.882 0.37 0.00 O ATOM 2313 NE2 GLN A 147 13.336 -8.304 10.611 1.00 0.00 N ATOM 0 H GLN A 147 12.807 -10.447 6.589 0.41 0.00 H new ATOM 0 HA GLN A 147 11.877 -12.599 8.150 0.07 0.00 H new ATOM 0 HB2 GLN A 147 10.970 -9.699 7.969 1.00 0.00 H new ATOM 0 HB3 GLN A 147 10.511 -10.806 9.248 1.00 0.00 H new ATOM 0 HG2 GLN A 147 12.949 -11.077 9.817 0.23 0.00 H new ATOM 0 HG3 GLN A 147 13.327 -9.860 8.615 0.23 0.00 H new ATOM 0 HE21 GLN A 147 14.229 -8.439 10.137 1.00 0.00 H new ATOM 0 HE22 GLN A 147 13.230 -7.554 11.294 1.00 0.00 H new ATOM 2322 N SER A 148 9.876 -11.574 5.794 0.68 0.00 N ATOM 2323 CA SER A 148 8.627 -11.860 5.095 0.09 0.00 C ATOM 2324 C SER A 148 8.861 -12.809 3.925 0.58 0.00 C ATOM 2325 O SER A 148 7.969 -13.030 3.105 1.00 0.00 O ATOM 2326 CB SER A 148 7.993 -10.561 4.595 0.26 0.00 C ATOM 2327 OG SER A 148 7.707 -9.681 5.671 0.10 0.00 O ATOM 0 H SER A 148 10.491 -10.920 5.309 0.68 0.00 H new ATOM 0 HA SER A 148 7.948 -12.343 5.798 0.09 0.00 H new ATOM 0 HB2 SER A 148 8.667 -10.072 3.891 0.26 0.00 H new ATOM 0 HB3 SER A 148 7.075 -10.787 4.053 0.26 0.00 H new ATOM 0 HG SER A 148 7.304 -8.858 5.323 0.10 0.00 H new ATOM 2333 N TRP A 149 10.063 -13.371 3.855 0.12 0.00 N ATOM 2334 CA TRP A 149 10.415 -14.296 2.784 1.00 0.00 C ATOM 2335 C TRP A 149 9.923 -15.705 3.103 0.08 0.00 C ATOM 2336 O TRP A 149 10.392 -16.335 4.052 0.08 0.00 O ATOM 2337 CB TRP A 149 11.930 -14.308 2.572 0.14 0.00 C ATOM 2338 CG TRP A 149 12.334 -14.653 1.172 1.00 0.00 C ATOM 2339 CD1 TRP A 149 12.403 -13.802 0.106 1.00 0.00 C ATOM 2340 CD2 TRP A 149 12.727 -15.941 0.684 1.00 0.00 C ATOM 2341 NE1 TRP A 149 12.813 -14.481 -1.014 0.14 0.00 N ATOM 2342 CE2 TRP A 149 13.019 -15.796 -0.686 0.99 0.00 C ATOM 2343 CE3 TRP A 149 12.860 -17.202 1.272 0.10 0.00 C ATOM 2344 CZ2 TRP A 149 13.438 -16.866 -1.475 0.54 0.00 C ATOM 2345 CZ3 TRP A 149 13.276 -18.262 0.487 1.00 0.00 C ATOM 2346 CH2 TRP A 149 13.560 -18.087 -0.872 0.73 0.00 C ATOM 0 H TRP A 149 10.811 -13.202 4.528 0.12 0.00 H new ATOM 0 HA TRP A 149 9.930 -13.958 1.868 1.00 0.00 H new ATOM 0 HB2 TRP A 149 12.332 -13.328 2.827 0.14 0.00 H new ATOM 0 HB3 TRP A 149 12.379 -15.025 3.259 0.14 0.00 H new ATOM 0 HD1 TRP A 149 12.169 -12.748 0.140 1.00 0.00 H new ATOM 0 HE1 TRP A 149 12.943 -14.073 -1.940 0.14 0.00 H new ATOM 0 HE3 TRP A 149 12.642 -17.346 2.320 0.10 0.00 H new ATOM 0 HZ2 TRP A 149 13.658 -16.735 -2.524 0.54 0.00 H new ATOM 0 HZ3 TRP A 149 13.383 -19.241 0.930 1.00 0.00 H new ATOM 0 HH2 TRP A 149 13.883 -18.935 -1.458 0.73 0.00 H new