USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=40 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 82 TYR OH : rot 117:sc= 0.464 USER MOD Set 1.2: A 88 CYS SG : rot 180:sc= 0.427 USER MOD Single : A 3 THR OG1 : rot -30:sc= 0.269 USER MOD Single : A 10 MET CE :methyl 166:sc= -5.03! (180deg=-5.04!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN :FLIP amide:sc= -1.17 F(o=-2.5!,f=-1.2) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0659 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 32 ASN : amide:sc= -0.293 K(o=-0.29,f=-3.3!) USER MOD Single : A 34 MET CE :methyl 170:sc= -0.163 (180deg=-0.363) USER MOD Single : A 35 GLN : amide:sc= 0.0945 K(o=0.094,f=-1.4) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 46 THR OG1 : rot -63:sc= 0.798 USER MOD Single : A 52 THR OG1 : rot 36:sc= 0.581 USER MOD Single : A 54 LYS NZ :NH3+ -166:sc= -0.0202 (180deg=-0.214) USER MOD Single : A 60 SER OG : rot 140:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.492 K(o=-0.49,f=-6.1!) USER MOD Single : A 66 LYS NZ :NH3+ 145:sc= 0.0333 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 131:sc= -0.632 USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= -0.0827 (180deg=-0.382) USER MOD Single : A 76 MET CE :methyl 149:sc= -0.253 (180deg=-0.502) USER MOD Single : A 78 HIS : no HE2:sc= 0.546 K(o=0.55,f=-1.8!) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.815 F(o=-3.5!,f=-0.81) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0727 F(o=-1.1,f=-0.073) USER MOD Single : A 94 ASN : amide:sc= -0.314 K(o=-0.31,f=-1.2) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 170:sc= -0.807 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot -13:sc= 0.817 USER MOD Single : A 108 SER OG : rot 110:sc= -0.815 USER MOD Single : A 110 GLN :FLIP amide:sc= -1.57 F(o=-2.2,f=-1.6) USER MOD Single : A 111 SER OG : rot -23:sc= 0.601 USER MOD Single : A 123 ASN : amide:sc= -1.24 K(o=-1.2,f=-2) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 GLN :FLIP amide:sc= -0.0014 F(o=-1.1,f=-0.0014) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN :FLIP amide:sc=-0.000322 F(o=-0.89,f=-0.00032) USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 166:sc= -0.0599 (180deg=-0.322) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 147 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 148 SER OG : rot -39:sc= 0.983 USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 -24.562 2.720 6.927 0.15 0.00 N ATOM 32 CA THR A 3 -23.965 3.966 6.461 1.00 0.00 C ATOM 33 C THR A 3 -23.803 3.972 4.943 0.41 0.00 C ATOM 34 O THR A 3 -23.707 2.915 4.319 0.05 0.00 O ATOM 35 CB THR A 3 -22.592 4.213 7.117 0.11 0.00 C ATOM 36 OG1 THR A 3 -21.916 2.968 7.331 0.24 0.00 O ATOM 37 CG2 THR A 3 -22.751 4.949 8.439 0.27 0.00 C ATOM 0 HA THR A 3 -24.646 4.767 6.750 1.00 0.00 H new ATOM 0 HB THR A 3 -21.998 4.832 6.444 0.11 0.00 H new ATOM 0 HG1 THR A 3 -22.576 2.259 7.482 0.24 0.00 H new ATOM 0 HG21 THR A 3 -21.770 5.113 8.885 0.27 0.00 H new ATOM 0 HG22 THR A 3 -23.235 5.910 8.265 0.27 0.00 H new ATOM 0 HG23 THR A 3 -23.362 4.352 9.116 0.27 0.00 H new ATOM 45 N PRO A 4 -23.767 5.171 4.327 0.15 0.00 N ATOM 46 CA PRO A 4 -23.620 5.313 2.872 0.71 0.00 C ATOM 47 C PRO A 4 -22.277 4.797 2.367 0.68 0.00 C ATOM 48 O PRO A 4 -22.173 4.305 1.243 1.00 0.00 O ATOM 49 CB PRO A 4 -23.727 6.824 2.643 0.17 0.00 C ATOM 50 CG PRO A 4 -23.361 7.433 3.952 1.00 0.00 C ATOM 51 CD PRO A 4 -23.864 6.481 4.997 0.13 0.00 C ATOM 0 HA PRO A 4 -24.369 4.732 2.335 0.71 0.00 H new ATOM 0 HB2 PRO A 4 -23.054 7.153 1.851 0.17 0.00 H new ATOM 0 HB3 PRO A 4 -24.735 7.108 2.342 0.17 0.00 H new ATOM 0 HG2 PRO A 4 -22.283 7.569 4.033 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -23.816 8.417 4.067 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -23.257 6.517 5.902 0.13 0.00 H new ATOM 0 HD3 PRO A 4 -24.889 6.709 5.291 0.13 0.00 H new ATOM 59 N ALA A 5 -21.252 4.915 3.203 0.37 0.00 N ATOM 60 CA ALA A 5 -19.913 4.468 2.839 0.70 0.00 C ATOM 61 C ALA A 5 -19.827 2.945 2.805 0.28 0.00 C ATOM 62 O ALA A 5 -19.248 2.368 1.883 0.18 0.00 O ATOM 63 CB ALA A 5 -18.888 5.036 3.808 1.00 0.00 C ATOM 0 H ALA A 5 -21.323 5.317 4.138 0.37 0.00 H new ATOM 0 HA ALA A 5 -19.695 4.837 1.837 0.70 0.00 H new ATOM 0 HB1 ALA A 5 -17.892 4.695 3.525 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -18.921 6.125 3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -19.115 4.696 4.818 1.00 0.00 H new ATOM 69 N ARG A 6 -20.407 2.299 3.812 1.00 0.00 N ATOM 70 CA ARG A 6 -20.395 0.842 3.897 0.12 0.00 C ATOM 71 C ARG A 6 -21.108 0.220 2.699 0.43 0.00 C ATOM 72 O ARG A 6 -20.772 -0.883 2.269 1.00 0.00 O ATOM 73 CB ARG A 6 -21.057 0.381 5.198 0.15 0.00 C ATOM 74 CG ARG A 6 -20.978 -1.121 5.421 0.20 0.00 C ATOM 75 CD ARG A 6 -21.650 -1.529 6.723 0.34 0.00 C ATOM 76 NE ARG A 6 -21.547 -2.966 6.965 1.00 0.00 N ATOM 77 CZ ARG A 6 -22.247 -3.609 7.896 0.21 0.00 C ATOM 78 NH1 ARG A 6 -23.097 -2.947 8.670 0.91 0.00 N ATOM 79 NH2 ARG A 6 -22.098 -4.917 8.055 0.05 0.00 N ATOM 0 H ARG A 6 -20.892 2.762 4.581 1.00 0.00 H new ATOM 0 HA ARG A 6 -19.357 0.511 3.889 0.12 0.00 H new ATOM 0 HB2 ARG A 6 -20.583 0.890 6.037 0.15 0.00 H new ATOM 0 HB3 ARG A 6 -22.104 0.684 5.191 0.15 0.00 H new ATOM 0 HG2 ARG A 6 -21.453 -1.639 4.588 0.20 0.00 H new ATOM 0 HG3 ARG A 6 -19.934 -1.433 5.436 0.20 0.00 H new ATOM 0 HD2 ARG A 6 -21.193 -0.988 7.552 0.34 0.00 H new ATOM 0 HD3 ARG A 6 -22.701 -1.240 6.695 0.34 0.00 H new ATOM 0 HE ARG A 6 -20.903 -3.507 6.388 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -23.216 -1.941 8.553 0.91 0.00 H new ATOM 0 HH12 ARG A 6 -23.631 -3.444 9.382 0.91 0.00 H new ATOM 0 HH21 ARG A 6 -21.446 -5.432 7.463 0.05 0.00 H new ATOM 0 HH22 ARG A 6 -22.635 -5.408 8.769 0.05 0.00 H new ATOM 93 N ARG A 7 -22.093 0.937 2.163 0.17 0.00 N ATOM 94 CA ARG A 7 -22.853 0.456 1.018 0.60 0.00 C ATOM 95 C ARG A 7 -22.005 0.464 -0.248 0.14 0.00 C ATOM 96 O ARG A 7 -22.131 -0.417 -1.099 0.31 0.00 O ATOM 97 CB ARG A 7 -24.099 1.321 0.818 1.00 0.00 C ATOM 98 CG ARG A 7 -25.089 1.244 1.969 0.18 0.00 C ATOM 99 CD ARG A 7 -25.672 -0.153 2.113 0.22 0.00 C ATOM 100 NE ARG A 7 -26.661 -0.227 3.184 0.35 0.00 N ATOM 101 CZ ARG A 7 -27.109 -1.368 3.697 0.13 0.00 C ATOM 102 NH1 ARG A 7 -26.647 -2.528 3.248 0.22 0.00 N ATOM 103 NH2 ARG A 7 -28.018 -1.352 4.662 0.09 0.00 N ATOM 0 H ARG A 7 -22.382 1.853 2.505 0.17 0.00 H new ATOM 0 HA ARG A 7 -23.154 -0.572 1.218 0.60 0.00 H new ATOM 0 HB2 ARG A 7 -23.792 2.358 0.683 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -24.599 1.015 -0.101 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -24.592 1.529 2.897 0.18 0.00 H new ATOM 0 HG3 ARG A 7 -25.894 1.960 1.806 0.18 0.00 H new ATOM 0 HD2 ARG A 7 -26.134 -0.451 1.172 0.22 0.00 H new ATOM 0 HD3 ARG A 7 -24.868 -0.862 2.312 0.22 0.00 H new ATOM 0 HE ARG A 7 -27.029 0.647 3.560 0.35 0.00 H new ATOM 0 HH11 ARG A 7 -25.946 -2.545 2.507 0.22 0.00 H new ATOM 0 HH12 ARG A 7 -26.993 -3.402 3.644 0.22 0.00 H new ATOM 0 HH21 ARG A 7 -28.375 -0.463 5.012 0.09 0.00 H new ATOM 0 HH22 ARG A 7 -28.361 -2.229 5.054 0.09 0.00 H new ATOM 117 N ARG A 8 -21.139 1.465 -0.369 1.00 0.00 N ATOM 118 CA ARG A 8 -20.269 1.587 -1.532 0.30 0.00 C ATOM 119 C ARG A 8 -19.189 0.509 -1.520 0.08 0.00 C ATOM 120 O ARG A 8 -18.739 0.059 -2.575 0.18 0.00 O ATOM 121 CB ARG A 8 -19.619 2.972 -1.570 0.34 0.00 C ATOM 122 CG ARG A 8 -20.615 4.114 -1.690 0.25 0.00 C ATOM 123 CD ARG A 8 -21.361 4.073 -3.014 0.20 0.00 C ATOM 124 NE ARG A 8 -22.327 5.162 -3.128 1.00 0.00 N ATOM 125 CZ ARG A 8 -23.049 5.402 -4.220 0.10 0.00 C ATOM 126 NH1 ARG A 8 -22.917 4.626 -5.289 0.23 0.00 N ATOM 127 NH2 ARG A 8 -23.902 6.415 -4.246 0.17 0.00 N ATOM 0 H ARG A 8 -21.021 2.203 0.325 1.00 0.00 H new ATOM 0 HA ARG A 8 -20.881 1.456 -2.424 0.30 0.00 H new ATOM 0 HB2 ARG A 8 -19.029 3.111 -0.664 0.34 0.00 H new ATOM 0 HB3 ARG A 8 -18.927 3.016 -2.411 0.34 0.00 H new ATOM 0 HG2 ARG A 8 -21.329 4.062 -0.868 0.25 0.00 H new ATOM 0 HG3 ARG A 8 -20.091 5.065 -1.597 0.25 0.00 H new ATOM 0 HD2 ARG A 8 -20.647 4.134 -3.835 0.20 0.00 H new ATOM 0 HD3 ARG A 8 -21.877 3.118 -3.110 0.20 0.00 H new ATOM 0 HE ARG A 8 -22.456 5.775 -2.323 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -22.262 3.845 -5.274 0.23 0.00 H new ATOM 0 HH12 ARG A 8 -23.471 4.811 -6.125 0.23 0.00 H new ATOM 0 HH21 ARG A 8 -24.007 7.014 -3.427 0.17 0.00 H new ATOM 0 HH22 ARG A 8 -24.454 6.596 -5.085 0.17 0.00 H new ATOM 141 N LEU A 9 -18.780 0.094 -0.323 0.12 0.00 N ATOM 142 CA LEU A 9 -17.747 -0.928 -0.180 1.00 0.00 C ATOM 143 C LEU A 9 -18.197 -2.259 -0.772 1.00 0.00 C ATOM 144 O LEU A 9 -17.431 -2.931 -1.462 0.09 0.00 O ATOM 145 CB LEU A 9 -17.377 -1.114 1.294 0.12 0.00 C ATOM 146 CG LEU A 9 -16.523 0.005 1.899 0.09 0.00 C ATOM 147 CD1 LEU A 9 -16.300 -0.240 3.383 1.00 0.00 C ATOM 148 CD2 LEU A 9 -15.191 0.114 1.172 1.00 0.00 C ATOM 0 H LEU A 9 -19.147 0.449 0.560 0.12 0.00 H new ATOM 0 HA LEU A 9 -16.869 -0.588 -0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -18.296 -1.202 1.874 0.12 0.00 H new ATOM 0 HB3 LEU A 9 -16.841 -2.057 1.401 0.12 0.00 H new ATOM 0 HG LEU A 9 -17.057 0.948 1.780 0.09 0.00 H new ATOM 0 HD11 LEU A 9 -15.692 0.564 3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -17.262 -0.268 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.787 -1.192 3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.599 0.914 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.651 -0.829 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -15.368 0.335 0.119 1.00 0.00 H new ATOM 160 N MET A 10 -19.442 -2.637 -0.497 1.00 0.00 N ATOM 161 CA MET A 10 -19.988 -3.888 -1.006 0.10 0.00 C ATOM 162 C MET A 10 -19.925 -3.924 -2.530 1.00 0.00 C ATOM 163 O MET A 10 -19.763 -4.987 -3.129 0.57 0.00 O ATOM 164 CB MET A 10 -21.433 -4.071 -0.539 0.16 0.00 C ATOM 165 CG MET A 10 -21.576 -4.147 0.973 0.11 0.00 C ATOM 166 SD MET A 10 -23.260 -4.531 1.494 0.11 0.00 S ATOM 167 CE MET A 10 -24.155 -3.132 0.824 0.27 0.00 C ATOM 0 H MET A 10 -20.090 -2.095 0.075 1.00 0.00 H new ATOM 0 HA MET A 10 -19.384 -4.706 -0.613 0.10 0.00 H new ATOM 0 HB2 MET A 10 -22.035 -3.242 -0.912 0.16 0.00 H new ATOM 0 HB3 MET A 10 -21.837 -4.982 -0.981 0.16 0.00 H new ATOM 0 HG2 MET A 10 -20.898 -4.907 1.360 0.11 0.00 H new ATOM 0 HG3 MET A 10 -21.272 -3.196 1.411 0.11 0.00 H new ATOM 0 HE1 MET A 10 -25.225 -3.342 0.843 0.27 0.00 H new ATOM 0 HE2 MET A 10 -23.948 -2.246 1.425 0.27 0.00 H new ATOM 0 HE3 MET A 10 -23.838 -2.956 -0.204 0.27 0.00 H new ATOM 177 N ARG A 11 -20.052 -2.754 -3.147 0.35 0.00 N ATOM 178 CA ARG A 11 -20.009 -2.647 -4.601 0.82 0.00 C ATOM 179 C ARG A 11 -18.587 -2.856 -5.118 1.00 0.00 C ATOM 180 O ARG A 11 -18.386 -3.396 -6.207 1.00 0.00 O ATOM 181 CB ARG A 11 -20.531 -1.281 -5.048 0.55 0.00 C ATOM 182 CG ARG A 11 -21.961 -0.998 -4.611 0.14 0.00 C ATOM 183 CD ARG A 11 -22.958 -1.890 -5.337 0.25 0.00 C ATOM 184 NE ARG A 11 -22.979 -1.634 -6.774 1.00 0.00 N ATOM 185 CZ ARG A 11 -23.932 -2.076 -7.589 1.00 0.00 C ATOM 186 NH1 ARG A 11 -24.939 -2.795 -7.111 1.00 0.00 N ATOM 187 NH2 ARG A 11 -23.881 -1.798 -8.886 1.00 0.00 N ATOM 0 H ARG A 11 -20.186 -1.866 -2.663 0.35 0.00 H new ATOM 0 HA ARG A 11 -20.647 -3.426 -5.018 0.82 0.00 H new ATOM 0 HB2 ARG A 11 -19.878 -0.505 -4.649 0.55 0.00 H new ATOM 0 HB3 ARG A 11 -20.474 -1.218 -6.135 0.55 0.00 H new ATOM 0 HG2 ARG A 11 -22.050 -1.152 -3.536 0.14 0.00 H new ATOM 0 HG3 ARG A 11 -22.200 0.048 -4.804 0.14 0.00 H new ATOM 0 HD2 ARG A 11 -22.705 -2.935 -5.159 0.25 0.00 H new ATOM 0 HD3 ARG A 11 -23.955 -1.729 -4.926 0.25 0.00 H new ATOM 0 HE ARG A 11 -22.219 -1.085 -7.176 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -24.984 -3.011 -6.115 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -25.668 -3.132 -7.739 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -23.110 -1.244 -9.259 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -24.613 -2.138 -9.510 1.00 0.00 H new ATOM 201 N ASP A 12 -17.605 -2.424 -4.331 0.12 0.00 N ATOM 202 CA ASP A 12 -16.203 -2.563 -4.710 0.43 0.00 C ATOM 203 C ASP A 12 -15.780 -4.029 -4.710 0.06 0.00 C ATOM 204 O ASP A 12 -14.975 -4.450 -5.541 1.00 0.00 O ATOM 205 CB ASP A 12 -15.310 -1.763 -3.759 1.00 0.00 C ATOM 206 CG ASP A 12 -15.618 -0.278 -3.783 1.00 0.00 C ATOM 207 OD1 ASP A 12 -15.375 0.362 -4.828 0.06 0.00 O ATOM 208 OD2 ASP A 12 -16.104 0.242 -2.757 0.28 0.00 O ATOM 0 H ASP A 12 -17.755 -1.975 -3.427 0.12 0.00 H new ATOM 0 HA ASP A 12 -16.088 -2.170 -5.720 0.43 0.00 H new ATOM 0 HB2 ASP A 12 -15.436 -2.140 -2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -14.266 -1.918 -4.030 1.00 0.00 H new ATOM 213 N PHE A 13 -16.326 -4.799 -3.774 0.05 0.00 N ATOM 214 CA PHE A 13 -16.003 -6.217 -3.669 0.11 0.00 C ATOM 215 C PHE A 13 -16.387 -6.958 -4.946 0.86 0.00 C ATOM 216 O PHE A 13 -15.580 -7.699 -5.509 0.83 0.00 O ATOM 217 CB PHE A 13 -16.711 -6.840 -2.462 1.00 0.00 C ATOM 218 CG PHE A 13 -16.413 -8.303 -2.271 0.08 0.00 C ATOM 219 CD1 PHE A 13 -15.123 -8.790 -2.421 0.06 0.00 C ATOM 220 CD2 PHE A 13 -17.425 -9.189 -1.940 0.70 0.00 C ATOM 221 CE1 PHE A 13 -14.849 -10.133 -2.242 1.00 0.00 C ATOM 222 CE2 PHE A 13 -17.158 -10.533 -1.760 0.36 0.00 C ATOM 223 CZ PHE A 13 -15.869 -11.004 -1.910 1.00 0.00 C ATOM 0 H PHE A 13 -16.993 -4.465 -3.078 0.05 0.00 H new ATOM 0 HA PHE A 13 -14.926 -6.309 -3.530 0.11 0.00 H new ATOM 0 HB2 PHE A 13 -16.419 -6.299 -1.562 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -17.787 -6.710 -2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -14.323 -8.112 -2.681 0.06 0.00 H new ATOM 0 HD2 PHE A 13 -18.435 -8.825 -1.821 0.70 0.00 H new ATOM 0 HE1 PHE A 13 -13.840 -10.500 -2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -17.956 -11.213 -1.503 0.36 0.00 H new ATOM 0 HZ PHE A 13 -15.658 -12.054 -1.768 1.00 0.00 H new ATOM 233 N LYS A 14 -17.621 -6.755 -5.398 0.12 0.00 N ATOM 234 CA LYS A 14 -18.098 -7.402 -6.618 1.00 0.00 C ATOM 235 C LYS A 14 -17.287 -6.922 -7.812 1.00 0.00 C ATOM 236 O LYS A 14 -16.982 -7.688 -8.724 0.08 0.00 O ATOM 237 CB LYS A 14 -19.580 -7.113 -6.858 0.47 0.00 C ATOM 238 CG LYS A 14 -20.272 -6.429 -5.698 0.06 0.00 C ATOM 239 CD LYS A 14 -21.772 -6.618 -5.772 1.00 0.00 C ATOM 240 CE LYS A 14 -22.506 -5.648 -4.860 1.00 0.00 C ATOM 241 NZ LYS A 14 -23.983 -5.732 -5.029 0.36 0.00 N ATOM 0 H LYS A 14 -18.306 -6.152 -4.942 0.12 0.00 H new ATOM 0 HA LYS A 14 -17.973 -8.478 -6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -19.678 -6.488 -7.745 0.47 0.00 H new ATOM 0 HB3 LYS A 14 -20.092 -8.051 -7.071 0.47 0.00 H new ATOM 0 HG2 LYS A 14 -19.897 -6.833 -4.757 0.06 0.00 H new ATOM 0 HG3 LYS A 14 -20.035 -5.365 -5.705 0.06 0.00 H new ATOM 0 HD2 LYS A 14 -22.107 -6.476 -6.800 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -22.024 -7.641 -5.494 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -22.247 -5.860 -3.823 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -22.174 -4.631 -5.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -24.445 -5.055 -4.389 0.36 0.00 H new ATOM 0 HZ2 LYS A 14 -24.233 -5.505 -6.013 0.36 0.00 H new ATOM 0 HZ3 LYS A 14 -24.304 -6.695 -4.804 0.36 0.00 H new ATOM 255 N ARG A 15 -16.943 -5.639 -7.793 0.56 0.00 N ATOM 256 CA ARG A 15 -16.162 -5.039 -8.860 0.68 0.00 C ATOM 257 C ARG A 15 -14.775 -5.669 -8.933 0.28 0.00 C ATOM 258 O ARG A 15 -14.150 -5.703 -9.993 1.00 0.00 O ATOM 259 CB ARG A 15 -16.040 -3.532 -8.628 1.00 0.00 C ATOM 260 CG ARG A 15 -15.663 -2.751 -9.874 0.05 0.00 C ATOM 261 CD ARG A 15 -16.755 -2.826 -10.927 1.00 0.00 C ATOM 262 NE ARG A 15 -18.051 -2.397 -10.407 0.19 0.00 N ATOM 263 CZ ARG A 15 -19.048 -1.966 -11.174 0.74 0.00 C ATOM 264 NH1 ARG A 15 -18.893 -1.892 -12.490 0.40 0.00 N ATOM 265 NH2 ARG A 15 -20.202 -1.606 -10.627 0.20 0.00 N ATOM 0 H ARG A 15 -17.196 -4.994 -7.044 0.56 0.00 H new ATOM 0 HA ARG A 15 -16.672 -5.218 -9.807 0.68 0.00 H new ATOM 0 HB2 ARG A 15 -16.989 -3.154 -8.246 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -15.291 -3.352 -7.857 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.480 -1.709 -9.611 0.05 0.00 H new ATOM 0 HG3 ARG A 15 -14.733 -3.144 -10.284 0.05 0.00 H new ATOM 0 HD2 ARG A 15 -16.481 -2.201 -11.777 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -16.833 -3.849 -11.295 1.00 0.00 H new ATOM 0 HE ARG A 15 -18.200 -2.430 -9.398 0.19 0.00 H new ATOM 0 HH11 ARG A 15 -18.007 -2.166 -12.915 0.40 0.00 H new ATOM 0 HH12 ARG A 15 -19.659 -1.561 -13.076 0.40 0.00 H new ATOM 0 HH21 ARG A 15 -20.326 -1.660 -9.616 0.20 0.00 H new ATOM 0 HH22 ARG A 15 -20.965 -1.276 -11.218 0.20 0.00 H new ATOM 279 N LEU A 16 -14.298 -6.161 -7.793 1.00 0.00 N ATOM 280 CA LEU A 16 -12.984 -6.789 -7.720 0.39 0.00 C ATOM 281 C LEU A 16 -12.996 -8.191 -8.324 0.28 0.00 C ATOM 282 O LEU A 16 -12.165 -8.518 -9.170 0.06 0.00 O ATOM 283 CB LEU A 16 -12.511 -6.858 -6.267 0.40 0.00 C ATOM 284 CG LEU A 16 -11.085 -7.374 -6.077 0.23 0.00 C ATOM 285 CD1 LEU A 16 -10.076 -6.341 -6.556 0.71 0.00 C ATOM 286 CD2 LEU A 16 -10.837 -7.729 -4.620 0.16 0.00 C ATOM 0 H LEU A 16 -14.803 -6.136 -6.907 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.294 -6.176 -8.300 0.39 0.00 H new ATOM 0 HB2 LEU A 16 -12.583 -5.862 -5.829 0.40 0.00 H new ATOM 0 HB3 LEU A 16 -13.192 -7.501 -5.709 0.40 0.00 H new ATOM 0 HG LEU A 16 -10.962 -8.277 -6.676 0.23 0.00 H new ATOM 0 HD11 LEU A 16 -9.066 -6.725 -6.413 0.71 0.00 H new ATOM 0 HD12 LEU A 16 -10.240 -6.136 -7.614 0.71 0.00 H new ATOM 0 HD13 LEU A 16 -10.198 -5.421 -5.985 0.71 0.00 H new ATOM 0 HD21 LEU A 16 -9.817 -8.095 -4.503 0.16 0.00 H new ATOM 0 HD22 LEU A 16 -10.978 -6.843 -4.001 0.16 0.00 H new ATOM 0 HD23 LEU A 16 -11.538 -8.504 -4.310 0.16 0.00 H new ATOM 298 N GLN A 17 -13.942 -9.017 -7.882 0.16 0.00 N ATOM 299 CA GLN A 17 -14.050 -10.386 -8.364 0.08 0.00 C ATOM 300 C GLN A 17 -14.306 -10.439 -9.868 1.00 0.00 C ATOM 301 O GLN A 17 -13.927 -11.405 -10.532 0.06 0.00 O ATOM 302 CB GLN A 17 -15.166 -11.117 -7.616 0.09 0.00 C ATOM 303 CG GLN A 17 -16.552 -10.549 -7.867 0.06 0.00 C ATOM 304 CD GLN A 17 -17.648 -11.388 -7.235 0.20 0.00 C ATOM 305 OE1 GLN A 17 -18.742 -10.741 -6.852 0.11 0.00 O flip ATOM 306 NE2 GLN A 17 -17.511 -12.603 -7.096 0.23 0.00 N flip ATOM 0 H GLN A 17 -14.645 -8.758 -7.189 0.16 0.00 H new ATOM 0 HA GLN A 17 -13.098 -10.881 -8.173 0.08 0.00 H new ATOM 0 HB2 GLN A 17 -15.157 -12.167 -7.907 0.09 0.00 H new ATOM 0 HB3 GLN A 17 -14.958 -11.080 -6.547 0.09 0.00 H new ATOM 0 HG2 GLN A 17 -16.602 -9.534 -7.472 0.06 0.00 H new ATOM 0 HG3 GLN A 17 -16.724 -10.482 -8.941 0.06 0.00 H new ATOM 0 HE21 GLN A 17 -16.652 -13.058 -7.405 0.23 0.00 H new ATOM 0 HE22 GLN A 17 -18.256 -13.155 -6.671 0.23 0.00 H new ATOM 315 N GLU A 18 -14.946 -9.405 -10.403 0.09 0.00 N ATOM 316 CA GLU A 18 -15.246 -9.357 -11.832 0.33 0.00 C ATOM 317 C GLU A 18 -14.042 -8.869 -12.630 1.00 0.00 C ATOM 318 O GLU A 18 -13.925 -9.145 -13.824 1.00 0.00 O ATOM 319 CB GLU A 18 -16.449 -8.450 -12.101 0.07 0.00 C ATOM 320 CG GLU A 18 -16.174 -6.975 -11.861 0.07 0.00 C ATOM 321 CD GLU A 18 -17.358 -6.097 -12.214 0.21 0.00 C ATOM 322 OE1 GLU A 18 -18.212 -5.868 -11.331 1.00 0.00 O ATOM 323 OE2 GLU A 18 -17.432 -5.635 -13.372 1.00 0.00 O ATOM 0 H GLU A 18 -15.266 -8.593 -9.874 0.09 0.00 H new ATOM 0 HA GLU A 18 -15.487 -10.370 -12.153 0.33 0.00 H new ATOM 0 HB2 GLU A 18 -16.771 -8.586 -13.134 0.07 0.00 H new ATOM 0 HB3 GLU A 18 -17.277 -8.763 -11.465 0.07 0.00 H new ATOM 0 HG2 GLU A 18 -15.913 -6.823 -10.814 0.07 0.00 H new ATOM 0 HG3 GLU A 18 -15.311 -6.669 -12.452 0.07 0.00 H new ATOM 330 N ASP A 19 -13.146 -8.145 -11.962 1.00 0.00 N ATOM 331 CA ASP A 19 -11.957 -7.615 -12.616 1.00 0.00 C ATOM 332 C ASP A 19 -10.933 -7.136 -11.587 0.84 0.00 C ATOM 333 O ASP A 19 -10.855 -5.943 -11.285 1.00 0.00 O ATOM 334 CB ASP A 19 -12.342 -6.467 -13.552 0.44 0.00 C ATOM 335 CG ASP A 19 -11.137 -5.805 -14.190 1.00 0.00 C ATOM 336 OD1 ASP A 19 -10.605 -6.363 -15.173 0.24 0.00 O ATOM 337 OD2 ASP A 19 -10.724 -4.730 -13.706 0.13 0.00 O ATOM 0 H ASP A 19 -13.222 -7.914 -10.971 1.00 0.00 H new ATOM 0 HA ASP A 19 -11.502 -8.415 -13.200 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -13.000 -6.846 -14.334 0.44 0.00 H new ATOM 0 HB3 ASP A 19 -12.908 -5.722 -12.993 0.44 0.00 H new ATOM 342 N PRO A 20 -10.139 -8.066 -11.022 0.17 0.00 N ATOM 343 CA PRO A 20 -9.118 -7.735 -10.029 0.24 0.00 C ATOM 344 C PRO A 20 -7.823 -7.246 -10.676 0.08 0.00 C ATOM 345 O PRO A 20 -7.505 -7.631 -11.802 1.00 0.00 O ATOM 346 CB PRO A 20 -8.887 -9.068 -9.325 1.00 0.00 C ATOM 347 CG PRO A 20 -9.137 -10.093 -10.377 0.06 0.00 C ATOM 348 CD PRO A 20 -10.186 -9.517 -11.295 0.65 0.00 C ATOM 0 HA PRO A 20 -9.429 -6.928 -9.366 0.24 0.00 H new ATOM 0 HB2 PRO A 20 -7.872 -9.140 -8.934 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.564 -9.193 -8.480 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.222 -10.317 -10.926 0.06 0.00 H new ATOM 0 HG3 PRO A 20 -9.480 -11.028 -9.934 0.06 0.00 H new ATOM 0 HD2 PRO A 20 -9.965 -9.734 -12.340 0.65 0.00 H new ATOM 0 HD3 PRO A 20 -11.172 -9.931 -11.085 0.65 0.00 H new ATOM 356 N PRO A 21 -7.055 -6.390 -9.977 0.12 0.00 N ATOM 357 CA PRO A 21 -5.791 -5.867 -10.500 0.11 0.00 C ATOM 358 C PRO A 21 -4.700 -6.932 -10.529 0.23 0.00 C ATOM 359 O PRO A 21 -4.505 -7.657 -9.554 0.21 0.00 O ATOM 360 CB PRO A 21 -5.433 -4.756 -9.512 1.00 0.00 C ATOM 361 CG PRO A 21 -6.079 -5.168 -8.236 0.07 0.00 C ATOM 362 CD PRO A 21 -7.352 -5.867 -8.628 0.15 0.00 C ATOM 0 HA PRO A 21 -5.882 -5.523 -11.530 0.11 0.00 H new ATOM 0 HB2 PRO A 21 -4.353 -4.660 -9.397 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.805 -3.789 -9.851 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.429 -5.831 -7.665 0.07 0.00 H new ATOM 0 HG3 PRO A 21 -6.286 -4.303 -7.605 0.07 0.00 H new ATOM 0 HD2 PRO A 21 -7.601 -6.668 -7.932 0.15 0.00 H new ATOM 0 HD3 PRO A 21 -8.199 -5.181 -8.641 0.15 0.00 H new ATOM 370 N VAL A 22 -3.997 -7.026 -11.651 0.36 0.00 N ATOM 371 CA VAL A 22 -2.931 -8.009 -11.801 0.14 0.00 C ATOM 372 C VAL A 22 -1.671 -7.577 -11.056 0.89 0.00 C ATOM 373 O VAL A 22 -1.266 -6.416 -11.118 1.00 0.00 O ATOM 374 CB VAL A 22 -2.589 -8.249 -13.287 0.56 0.00 C ATOM 375 CG1 VAL A 22 -2.185 -6.948 -13.962 1.00 0.00 C ATOM 376 CG2 VAL A 22 -1.492 -9.294 -13.425 0.16 0.00 C ATOM 0 H VAL A 22 -4.145 -6.435 -12.469 0.36 0.00 H new ATOM 0 HA VAL A 22 -3.298 -8.940 -11.369 0.14 0.00 H new ATOM 0 HB VAL A 22 -3.481 -8.627 -13.786 0.56 0.00 H new ATOM 0 HG11 VAL A 22 -1.948 -7.139 -15.009 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.008 -6.236 -13.901 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.309 -6.535 -13.461 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.267 -9.448 -14.480 0.16 0.00 H new ATOM 0 HG22 VAL A 22 -0.595 -8.951 -12.909 0.16 0.00 H new ATOM 0 HG23 VAL A 22 -1.827 -10.233 -12.985 0.16 0.00 H new ATOM 386 N GLY A 23 -1.058 -8.522 -10.348 0.10 0.00 N ATOM 387 CA GLY A 23 0.149 -8.224 -9.600 1.00 0.00 C ATOM 388 C GLY A 23 -0.128 -7.958 -8.134 0.09 0.00 C ATOM 389 O GLY A 23 0.778 -8.027 -7.303 0.27 0.00 O ATOM 0 H GLY A 23 -1.376 -9.489 -10.280 0.10 0.00 H new ATOM 0 HA2 GLY A 23 0.844 -9.059 -9.690 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.638 -7.354 -10.038 1.00 0.00 H new ATOM 393 N VAL A 24 -1.383 -7.653 -7.815 1.00 0.00 N ATOM 394 CA VAL A 24 -1.778 -7.370 -6.439 0.46 0.00 C ATOM 395 C VAL A 24 -3.186 -7.882 -6.150 0.47 0.00 C ATOM 396 O VAL A 24 -3.945 -8.191 -7.068 0.25 0.00 O ATOM 397 CB VAL A 24 -1.720 -5.861 -6.139 0.08 0.00 C ATOM 398 CG1 VAL A 24 -0.281 -5.370 -6.119 0.06 0.00 C ATOM 399 CG2 VAL A 24 -2.539 -5.084 -7.159 1.00 0.00 C ATOM 0 H VAL A 24 -2.144 -7.596 -8.492 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.069 -7.890 -5.794 0.46 0.00 H new ATOM 0 HB VAL A 24 -2.149 -5.691 -5.152 0.08 0.00 H new ATOM 0 HG11 VAL A 24 -0.264 -4.301 -5.905 0.06 0.00 H new ATOM 0 HG12 VAL A 24 0.275 -5.903 -5.348 0.06 0.00 H new ATOM 0 HG13 VAL A 24 0.179 -5.553 -7.090 0.06 0.00 H new ATOM 0 HG21 VAL A 24 -2.487 -4.019 -6.932 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.140 -5.262 -8.158 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.577 -5.413 -7.119 1.00 0.00 H new ATOM 409 N SER A 25 -3.527 -7.969 -4.867 0.08 0.00 N ATOM 410 CA SER A 25 -4.846 -8.437 -4.454 0.08 0.00 C ATOM 411 C SER A 25 -5.320 -7.686 -3.215 0.19 0.00 C ATOM 412 O SER A 25 -4.511 -7.235 -2.406 0.13 0.00 O ATOM 413 CB SER A 25 -4.811 -9.940 -4.169 0.06 0.00 C ATOM 414 OG SER A 25 -6.092 -10.420 -3.796 0.13 0.00 O ATOM 0 H SER A 25 -2.908 -7.721 -4.095 0.08 0.00 H new ATOM 0 HA SER A 25 -5.546 -8.245 -5.267 0.08 0.00 H new ATOM 0 HB2 SER A 25 -4.463 -10.473 -5.054 0.06 0.00 H new ATOM 0 HB3 SER A 25 -4.096 -10.145 -3.372 0.06 0.00 H new ATOM 0 HG SER A 25 -6.042 -11.383 -3.621 0.13 0.00 H new ATOM 420 N GLY A 26 -6.636 -7.549 -3.074 1.00 0.00 N ATOM 421 CA GLY A 26 -7.190 -6.849 -1.927 1.00 0.00 C ATOM 422 C GLY A 26 -8.663 -7.144 -1.717 0.14 0.00 C ATOM 423 O GLY A 26 -9.524 -6.421 -2.219 0.64 0.00 O ATOM 0 H GLY A 26 -7.327 -7.909 -3.732 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.636 -7.131 -1.032 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.054 -5.776 -2.061 1.00 0.00 H new ATOM 427 N ALA A 27 -8.950 -8.201 -0.966 0.08 0.00 N ATOM 428 CA ALA A 27 -10.328 -8.594 -0.691 1.00 0.00 C ATOM 429 C ALA A 27 -10.489 -9.047 0.759 0.29 0.00 C ATOM 430 O ALA A 27 -9.529 -9.499 1.383 1.00 0.00 O ATOM 431 CB ALA A 27 -10.757 -9.701 -1.642 0.22 0.00 C ATOM 0 H ALA A 27 -8.247 -8.802 -0.536 0.08 0.00 H new ATOM 0 HA ALA A 27 -10.968 -7.726 -0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.787 -9.986 -1.427 0.22 0.00 H new ATOM 0 HB2 ALA A 27 -10.686 -9.346 -2.670 0.22 0.00 H new ATOM 0 HB3 ALA A 27 -10.106 -10.566 -1.511 0.22 0.00 H new ATOM 437 N PRO A 28 -11.710 -8.933 1.319 0.61 0.00 N ATOM 438 CA PRO A 28 -11.979 -9.340 2.702 0.36 0.00 C ATOM 439 C PRO A 28 -11.883 -10.850 2.882 0.29 0.00 C ATOM 440 O PRO A 28 -12.756 -11.595 2.437 0.24 0.00 O ATOM 441 CB PRO A 28 -13.412 -8.858 2.950 0.68 0.00 C ATOM 442 CG PRO A 28 -14.028 -8.781 1.596 0.10 0.00 C ATOM 443 CD PRO A 28 -12.918 -8.406 0.654 0.79 0.00 C ATOM 0 HA PRO A 28 -11.254 -8.920 3.400 0.36 0.00 H new ATOM 0 HB2 PRO A 28 -13.956 -9.550 3.593 0.68 0.00 H new ATOM 0 HB3 PRO A 28 -13.423 -7.887 3.445 0.68 0.00 H new ATOM 0 HG2 PRO A 28 -14.472 -9.736 1.315 0.10 0.00 H new ATOM 0 HG3 PRO A 28 -14.826 -8.039 1.573 0.10 0.00 H new ATOM 0 HD2 PRO A 28 -13.060 -8.850 -0.331 0.79 0.00 H new ATOM 0 HD3 PRO A 28 -12.860 -7.327 0.512 0.79 0.00 H new ATOM 451 N SER A 29 -10.813 -11.296 3.533 0.15 0.00 N ATOM 452 CA SER A 29 -10.598 -12.721 3.766 0.37 0.00 C ATOM 453 C SER A 29 -11.306 -13.180 5.039 0.17 0.00 C ATOM 454 O SER A 29 -12.419 -13.704 4.986 0.38 0.00 O ATOM 455 CB SER A 29 -9.100 -13.025 3.860 1.00 0.00 C ATOM 456 OG SER A 29 -8.433 -12.670 2.662 1.00 0.00 O ATOM 0 H SER A 29 -10.082 -10.692 3.908 0.15 0.00 H new ATOM 0 HA SER A 29 -11.019 -13.268 2.923 0.37 0.00 H new ATOM 0 HB2 SER A 29 -8.666 -12.478 4.697 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.953 -14.086 4.062 1.00 0.00 H new ATOM 0 HG SER A 29 -7.478 -12.872 2.747 1.00 0.00 H new ATOM 462 N GLU A 30 -10.655 -12.976 6.180 1.00 0.00 N ATOM 463 CA GLU A 30 -11.225 -13.364 7.466 1.00 0.00 C ATOM 464 C GLU A 30 -11.712 -12.136 8.228 0.40 0.00 C ATOM 465 O GLU A 30 -12.554 -12.239 9.119 0.16 0.00 O ATOM 466 CB GLU A 30 -10.190 -14.122 8.300 0.31 0.00 C ATOM 467 CG GLU A 30 -9.693 -15.399 7.643 0.13 0.00 C ATOM 468 CD GLU A 30 -8.683 -16.139 8.497 0.39 0.00 C ATOM 469 OE1 GLU A 30 -7.491 -15.767 8.464 1.00 0.00 O ATOM 470 OE2 GLU A 30 -9.085 -17.091 9.201 0.19 0.00 O ATOM 0 H GLU A 30 -9.733 -12.544 6.241 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.076 -14.019 7.280 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.340 -13.467 8.490 0.31 0.00 H new ATOM 0 HB3 GLU A 30 -10.626 -14.368 9.268 0.31 0.00 H new ATOM 0 HG2 GLU A 30 -10.541 -16.053 7.441 0.13 0.00 H new ATOM 0 HG3 GLU A 30 -9.241 -15.156 6.681 0.13 0.00 H new ATOM 477 N ASN A 31 -11.174 -10.976 7.865 0.19 0.00 N ATOM 478 CA ASN A 31 -11.546 -9.722 8.509 1.00 0.00 C ATOM 479 C ASN A 31 -12.911 -9.243 8.023 1.00 0.00 C ATOM 480 O ASN A 31 -13.272 -9.440 6.862 0.06 0.00 O ATOM 481 CB ASN A 31 -10.492 -8.649 8.231 0.73 0.00 C ATOM 482 CG ASN A 31 -9.109 -9.064 8.693 0.51 0.00 C ATOM 483 OD1 ASN A 31 -8.961 -9.806 9.664 0.53 0.00 O ATOM 484 ND2 ASN A 31 -8.084 -8.587 7.994 0.48 0.00 N ATOM 0 H ASN A 31 -10.477 -10.879 7.126 0.19 0.00 H new ATOM 0 HA ASN A 31 -11.603 -9.899 9.583 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.467 -8.437 7.162 0.73 0.00 H new ATOM 0 HB3 ASN A 31 -10.778 -7.724 8.733 0.73 0.00 H new ATOM 0 HD21 ASN A 31 -7.129 -8.833 8.256 0.48 0.00 H new ATOM 0 HD22 ASN A 31 -8.252 -7.975 7.196 0.48 0.00 H new ATOM 491 N ASN A 32 -13.664 -8.614 8.920 0.08 0.00 N ATOM 492 CA ASN A 32 -14.991 -8.103 8.588 0.39 0.00 C ATOM 493 C ASN A 32 -14.911 -7.017 7.518 0.16 0.00 C ATOM 494 O ASN A 32 -13.850 -6.764 6.953 0.95 0.00 O ATOM 495 CB ASN A 32 -15.675 -7.552 9.841 1.00 0.00 C ATOM 496 CG ASN A 32 -15.932 -8.626 10.880 0.27 0.00 C ATOM 497 OD1 ASN A 32 -15.180 -9.594 10.989 0.87 0.00 O ATOM 498 ND2 ASN A 32 -17.002 -8.461 11.649 1.00 0.00 N ATOM 0 H ASN A 32 -13.378 -8.445 9.884 0.08 0.00 H new ATOM 0 HA ASN A 32 -15.580 -8.930 8.192 0.39 0.00 H new ATOM 0 HB2 ASN A 32 -15.053 -6.770 10.277 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -16.621 -7.088 9.561 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -17.227 -9.152 12.364 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -17.598 -7.643 11.524 1.00 0.00 H new ATOM 505 N ILE A 33 -16.045 -6.380 7.246 0.06 0.00 N ATOM 506 CA ILE A 33 -16.109 -5.322 6.245 0.30 0.00 C ATOM 507 C ILE A 33 -15.149 -4.183 6.582 0.41 0.00 C ATOM 508 O ILE A 33 -14.655 -3.489 5.691 0.38 0.00 O ATOM 509 CB ILE A 33 -17.541 -4.759 6.123 0.89 0.00 C ATOM 510 CG1 ILE A 33 -17.626 -3.734 4.988 0.08 0.00 C ATOM 511 CG2 ILE A 33 -17.980 -4.136 7.440 0.11 0.00 C ATOM 512 CD1 ILE A 33 -17.390 -4.328 3.615 0.45 0.00 C ATOM 0 H ILE A 33 -16.934 -6.579 7.706 0.06 0.00 H new ATOM 0 HA ILE A 33 -15.816 -5.764 5.293 0.30 0.00 H new ATOM 0 HB ILE A 33 -18.215 -5.583 5.888 0.89 0.00 H new ATOM 0 HG12 ILE A 33 -18.609 -3.264 5.007 0.08 0.00 H new ATOM 0 HG13 ILE A 33 -16.893 -2.947 5.165 0.08 0.00 H new ATOM 0 HG21 ILE A 33 -18.992 -3.744 7.338 0.11 0.00 H new ATOM 0 HG22 ILE A 33 -17.962 -4.893 8.224 0.11 0.00 H new ATOM 0 HG23 ILE A 33 -17.301 -3.325 7.703 0.11 0.00 H new ATOM 0 HD11 ILE A 33 -17.466 -3.544 2.861 0.45 0.00 H new ATOM 0 HD12 ILE A 33 -16.396 -4.773 3.577 0.45 0.00 H new ATOM 0 HD13 ILE A 33 -18.139 -5.095 3.417 0.45 0.00 H new ATOM 524 N MET A 34 -14.889 -4.000 7.873 0.15 0.00 N ATOM 525 CA MET A 34 -13.994 -2.944 8.335 1.00 0.00 C ATOM 526 C MET A 34 -12.576 -3.138 7.799 0.74 0.00 C ATOM 527 O MET A 34 -12.071 -2.303 7.048 0.45 0.00 O ATOM 528 CB MET A 34 -13.978 -2.894 9.866 1.00 0.00 C ATOM 529 CG MET A 34 -14.067 -4.262 10.524 1.00 0.00 C ATOM 530 SD MET A 34 -14.015 -4.171 12.324 0.82 0.00 S ATOM 531 CE MET A 34 -14.286 -5.888 12.758 1.00 0.00 C ATOM 0 H MET A 34 -15.286 -4.571 8.619 0.15 0.00 H new ATOM 0 HA MET A 34 -14.371 -1.996 7.950 1.00 0.00 H new ATOM 0 HB2 MET A 34 -13.063 -2.401 10.195 1.00 0.00 H new ATOM 0 HB3 MET A 34 -14.811 -2.281 10.209 1.00 0.00 H new ATOM 0 HG2 MET A 34 -14.991 -4.750 10.215 1.00 0.00 H new ATOM 0 HG3 MET A 34 -13.245 -4.885 10.172 1.00 0.00 H new ATOM 0 HE1 MET A 34 -14.106 -6.027 13.824 1.00 0.00 H new ATOM 0 HE2 MET A 34 -15.314 -6.164 12.525 1.00 0.00 H new ATOM 0 HE3 MET A 34 -13.603 -6.519 12.189 1.00 0.00 H new ATOM 541 N GLN A 35 -11.939 -4.240 8.184 0.12 0.00 N ATOM 542 CA GLN A 35 -10.580 -4.530 7.739 0.27 0.00 C ATOM 543 C GLN A 35 -10.580 -5.437 6.512 0.17 0.00 C ATOM 544 O GLN A 35 -11.403 -6.343 6.393 0.34 0.00 O ATOM 545 CB GLN A 35 -9.775 -5.184 8.862 0.15 0.00 C ATOM 546 CG GLN A 35 -8.916 -4.205 9.643 0.10 0.00 C ATOM 547 CD GLN A 35 -9.734 -3.186 10.411 0.41 0.00 C ATOM 548 OE1 GLN A 35 -10.864 -3.460 10.818 0.29 0.00 O ATOM 549 NE2 GLN A 35 -9.166 -2.005 10.617 0.31 0.00 N ATOM 0 H GLN A 35 -12.341 -4.945 8.802 0.12 0.00 H new ATOM 0 HA GLN A 35 -10.114 -3.582 7.468 0.27 0.00 H new ATOM 0 HB2 GLN A 35 -10.461 -5.680 9.548 0.15 0.00 H new ATOM 0 HB3 GLN A 35 -9.135 -5.957 8.437 0.15 0.00 H new ATOM 0 HG2 GLN A 35 -8.286 -4.758 10.340 0.10 0.00 H new ATOM 0 HG3 GLN A 35 -8.250 -3.685 8.955 0.10 0.00 H new ATOM 0 HE21 GLN A 35 -8.228 -1.821 10.262 0.31 0.00 H new ATOM 0 HE22 GLN A 35 -9.668 -1.280 11.131 0.31 0.00 H new ATOM 558 N TRP A 36 -9.643 -5.186 5.607 0.07 0.00 N ATOM 559 CA TRP A 36 -9.521 -5.975 4.384 0.12 0.00 C ATOM 560 C TRP A 36 -8.124 -6.579 4.271 1.00 0.00 C ATOM 561 O TRP A 36 -7.144 -5.983 4.715 0.06 0.00 O ATOM 562 CB TRP A 36 -9.813 -5.106 3.157 0.39 0.00 C ATOM 563 CG TRP A 36 -11.270 -5.015 2.805 0.39 0.00 C ATOM 564 CD1 TRP A 36 -12.329 -4.969 3.669 1.00 0.00 C ATOM 565 CD2 TRP A 36 -11.829 -4.952 1.487 0.22 0.00 C ATOM 566 NE1 TRP A 36 -13.508 -4.890 2.966 0.16 0.00 N ATOM 567 CE2 TRP A 36 -13.227 -4.875 1.626 0.40 0.00 C ATOM 568 CE3 TRP A 36 -11.281 -4.954 0.200 0.09 0.00 C ATOM 569 CZ2 TRP A 36 -14.084 -4.803 0.529 0.14 0.00 C ATOM 570 CZ3 TRP A 36 -12.131 -4.880 -0.888 0.35 0.00 C ATOM 571 CH2 TRP A 36 -13.519 -4.805 -0.717 0.81 0.00 C ATOM 0 H TRP A 36 -8.953 -4.440 5.696 0.07 0.00 H new ATOM 0 HA TRP A 36 -10.250 -6.784 4.427 0.12 0.00 H new ATOM 0 HB2 TRP A 36 -9.430 -4.101 3.337 0.39 0.00 H new ATOM 0 HB3 TRP A 36 -9.268 -5.507 2.303 0.39 0.00 H new ATOM 0 HD1 TRP A 36 -12.251 -4.991 4.746 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -14.441 -4.849 3.376 0.16 0.00 H new ATOM 0 HE3 TRP A 36 -10.212 -5.012 0.059 0.09 0.00 H new ATOM 0 HZ2 TRP A 36 -15.155 -4.748 0.658 0.14 0.00 H new ATOM 0 HZ3 TRP A 36 -11.718 -4.880 -1.886 0.35 0.00 H new ATOM 0 HH2 TRP A 36 -14.157 -4.748 -1.587 0.81 0.00 H new ATOM 582 N ASN A 37 -8.039 -7.764 3.673 1.00 0.00 N ATOM 583 CA ASN A 37 -6.759 -8.442 3.504 1.00 0.00 C ATOM 584 C ASN A 37 -6.231 -8.252 2.086 1.00 0.00 C ATOM 585 O ASN A 37 -6.827 -8.733 1.120 0.09 0.00 O ATOM 586 CB ASN A 37 -6.899 -9.934 3.814 0.28 0.00 C ATOM 587 CG ASN A 37 -5.613 -10.700 3.566 1.00 0.00 C ATOM 588 OD1 ASN A 37 -5.375 -11.196 2.465 1.00 0.00 O ATOM 589 ND2 ASN A 37 -4.777 -10.802 4.593 0.99 0.00 N ATOM 0 H ASN A 37 -8.840 -8.273 3.298 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.047 -8.002 4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.198 -10.059 4.855 0.28 0.00 H new ATOM 0 HB3 ASN A 37 -7.694 -10.357 3.200 0.28 0.00 H new ATOM 0 HD21 ASN A 37 -3.897 -11.307 4.486 0.99 0.00 H new ATOM 0 HD22 ASN A 37 -5.015 -10.375 5.488 0.99 0.00 H new ATOM 596 N ALA A 38 -5.112 -7.546 1.969 0.10 0.00 N ATOM 597 CA ALA A 38 -4.503 -7.286 0.671 1.00 0.00 C ATOM 598 C ALA A 38 -3.020 -7.632 0.676 0.31 0.00 C ATOM 599 O ALA A 38 -2.350 -7.525 1.704 0.09 0.00 O ATOM 600 CB ALA A 38 -4.703 -5.830 0.280 1.00 0.00 C ATOM 0 H ALA A 38 -4.608 -7.143 2.759 0.10 0.00 H new ATOM 0 HA ALA A 38 -4.993 -7.923 -0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.244 -5.648 -0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.769 -5.612 0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.239 -5.186 1.027 1.00 0.00 H new ATOM 606 N VAL A 39 -2.513 -8.048 -0.480 0.26 0.00 N ATOM 607 CA VAL A 39 -1.109 -8.412 -0.616 0.06 0.00 C ATOM 608 C VAL A 39 -0.498 -7.782 -1.864 0.09 0.00 C ATOM 609 O VAL A 39 -1.078 -7.842 -2.949 0.07 0.00 O ATOM 610 CB VAL A 39 -0.929 -9.941 -0.690 0.94 0.00 C ATOM 611 CG1 VAL A 39 0.544 -10.307 -0.772 1.00 0.00 C ATOM 612 CG2 VAL A 39 -1.586 -10.615 0.505 0.22 0.00 C ATOM 0 H VAL A 39 -3.056 -8.141 -1.338 0.26 0.00 H new ATOM 0 HA VAL A 39 -0.597 -8.035 0.269 0.06 0.00 H new ATOM 0 HB VAL A 39 -1.418 -10.299 -1.596 0.94 0.00 H new ATOM 0 HG11 VAL A 39 0.647 -11.391 -0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.981 -9.858 -1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.061 -9.935 0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.448 -11.694 0.435 0.22 0.00 H new ATOM 0 HG22 VAL A 39 -1.130 -10.250 1.425 0.22 0.00 H new ATOM 0 HG23 VAL A 39 -2.651 -10.385 0.512 0.22 0.00 H new ATOM 622 N ILE A 40 0.673 -7.176 -1.701 0.09 0.00 N ATOM 623 CA ILE A 40 1.370 -6.542 -2.815 0.43 0.00 C ATOM 624 C ILE A 40 2.713 -7.217 -3.066 1.00 0.00 C ATOM 625 O ILE A 40 3.541 -7.328 -2.162 1.00 0.00 O ATOM 626 CB ILE A 40 1.605 -5.037 -2.563 1.00 0.00 C ATOM 627 CG1 ILE A 40 0.269 -4.309 -2.384 0.51 0.00 C ATOM 628 CG2 ILE A 40 2.402 -4.428 -3.710 0.90 0.00 C ATOM 629 CD1 ILE A 40 0.416 -2.821 -2.135 0.67 0.00 C ATOM 0 H ILE A 40 1.160 -7.110 -0.807 0.09 0.00 H new ATOM 0 HA ILE A 40 0.731 -6.654 -3.691 0.43 0.00 H new ATOM 0 HB ILE A 40 2.181 -4.922 -1.645 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.340 -4.461 -3.275 0.51 0.00 H new ATOM 0 HG13 ILE A 40 -0.270 -4.757 -1.549 0.51 0.00 H new ATOM 0 HG21 ILE A 40 2.561 -3.367 -3.520 0.90 0.00 H new ATOM 0 HG22 ILE A 40 3.366 -4.930 -3.790 0.90 0.00 H new ATOM 0 HG23 ILE A 40 1.850 -4.551 -4.642 0.90 0.00 H new ATOM 0 HD11 ILE A 40 -0.571 -2.372 -2.018 0.67 0.00 H new ATOM 0 HD12 ILE A 40 0.998 -2.660 -1.227 0.67 0.00 H new ATOM 0 HD13 ILE A 40 0.927 -2.359 -2.980 0.67 0.00 H new ATOM 641 N PHE A 41 2.919 -7.667 -4.297 0.10 0.00 N ATOM 642 CA PHE A 41 4.162 -8.329 -4.669 1.00 0.00 C ATOM 643 C PHE A 41 5.081 -7.366 -5.411 0.98 0.00 C ATOM 644 O PHE A 41 4.625 -6.561 -6.225 0.34 0.00 O ATOM 645 CB PHE A 41 3.869 -9.554 -5.536 0.40 0.00 C ATOM 646 CG PHE A 41 2.868 -10.493 -4.924 1.00 0.00 C ATOM 647 CD1 PHE A 41 3.210 -11.282 -3.838 0.23 0.00 C ATOM 648 CD2 PHE A 41 1.583 -10.586 -5.437 0.09 0.00 C ATOM 649 CE1 PHE A 41 2.290 -12.146 -3.274 0.07 0.00 C ATOM 650 CE2 PHE A 41 0.660 -11.449 -4.876 0.17 0.00 C ATOM 651 CZ PHE A 41 1.014 -12.229 -3.794 0.12 0.00 C ATOM 0 H PHE A 41 2.241 -7.585 -5.055 0.10 0.00 H new ATOM 0 HA PHE A 41 4.666 -8.654 -3.759 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.499 -9.223 -6.507 0.40 0.00 H new ATOM 0 HB3 PHE A 41 4.799 -10.093 -5.716 0.40 0.00 H new ATOM 0 HD1 PHE A 41 4.207 -11.221 -3.427 0.23 0.00 H new ATOM 0 HD2 PHE A 41 1.300 -9.978 -6.284 0.09 0.00 H new ATOM 0 HE1 PHE A 41 2.569 -12.756 -2.427 0.07 0.00 H new ATOM 0 HE2 PHE A 41 -0.338 -11.513 -5.284 0.17 0.00 H new ATOM 0 HZ PHE A 41 0.294 -12.903 -3.355 0.12 0.00 H new ATOM 661 N GLY A 42 6.376 -7.451 -5.124 1.00 0.00 N ATOM 662 CA GLY A 42 7.338 -6.577 -5.771 1.00 0.00 C ATOM 663 C GLY A 42 7.300 -6.692 -7.284 0.31 0.00 C ATOM 664 O GLY A 42 7.115 -7.788 -7.814 0.10 0.00 O ATOM 0 H GLY A 42 6.777 -8.109 -4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.138 -5.545 -5.483 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.340 -6.819 -5.416 1.00 0.00 H new ATOM 668 N PRO A 43 7.470 -5.574 -8.014 0.08 0.00 N ATOM 669 CA PRO A 43 7.453 -5.581 -9.480 0.28 0.00 C ATOM 670 C PRO A 43 8.579 -6.428 -10.060 0.71 0.00 C ATOM 671 O PRO A 43 9.567 -6.714 -9.383 0.23 0.00 O ATOM 672 CB PRO A 43 7.638 -4.108 -9.860 0.07 0.00 C ATOM 673 CG PRO A 43 8.241 -3.470 -8.657 0.19 0.00 C ATOM 674 CD PRO A 43 7.696 -4.219 -7.476 0.10 0.00 C ATOM 0 HA PRO A 43 6.533 -6.014 -9.872 0.28 0.00 H new ATOM 0 HB2 PRO A 43 8.288 -4.004 -10.729 0.07 0.00 H new ATOM 0 HB3 PRO A 43 6.685 -3.644 -10.117 0.07 0.00 H new ATOM 0 HG2 PRO A 43 9.329 -3.528 -8.688 0.19 0.00 H new ATOM 0 HG3 PRO A 43 7.980 -2.413 -8.603 0.19 0.00 H new ATOM 0 HD2 PRO A 43 8.400 -4.228 -6.644 0.10 0.00 H new ATOM 0 HD3 PRO A 43 6.773 -3.773 -7.107 0.10 0.00 H new ATOM 682 N GLU A 44 8.425 -6.825 -11.318 0.06 0.00 N ATOM 683 CA GLU A 44 9.428 -7.641 -11.992 1.00 0.00 C ATOM 684 C GLU A 44 10.637 -6.800 -12.389 0.06 0.00 C ATOM 685 O GLU A 44 10.528 -5.888 -13.206 1.00 0.00 O ATOM 686 CB GLU A 44 8.825 -8.306 -13.230 0.05 0.00 C ATOM 687 CG GLU A 44 9.795 -9.219 -13.962 0.84 0.00 C ATOM 688 CD GLU A 44 9.186 -9.835 -15.206 0.08 0.00 C ATOM 689 OE1 GLU A 44 8.549 -10.903 -15.089 0.50 0.00 O ATOM 690 OE2 GLU A 44 9.348 -9.251 -16.298 1.00 0.00 O ATOM 0 H GLU A 44 7.614 -6.595 -11.892 0.06 0.00 H new ATOM 0 HA GLU A 44 9.759 -8.413 -11.298 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.950 -8.883 -12.932 0.05 0.00 H new ATOM 0 HB3 GLU A 44 8.479 -7.533 -13.916 0.05 0.00 H new ATOM 0 HG2 GLU A 44 10.684 -8.652 -14.239 0.84 0.00 H new ATOM 0 HG3 GLU A 44 10.120 -10.013 -13.289 0.84 0.00 H new ATOM 697 N GLY A 45 11.789 -7.119 -11.807 0.38 0.00 N ATOM 698 CA GLY A 45 13.004 -6.385 -12.113 0.59 0.00 C ATOM 699 C GLY A 45 13.468 -5.526 -10.954 0.37 0.00 C ATOM 700 O GLY A 45 14.192 -4.549 -11.146 1.00 0.00 O ATOM 0 H GLY A 45 11.903 -7.873 -11.129 0.38 0.00 H new ATOM 0 HA2 GLY A 45 13.793 -7.089 -12.379 0.59 0.00 H new ATOM 0 HA3 GLY A 45 12.834 -5.753 -12.985 0.59 0.00 H new ATOM 704 N THR A 46 13.048 -5.892 -9.745 1.00 0.00 N ATOM 705 CA THR A 46 13.420 -5.149 -8.547 0.23 0.00 C ATOM 706 C THR A 46 13.830 -6.098 -7.421 1.00 0.00 C ATOM 707 O THR A 46 13.476 -7.276 -7.442 1.00 0.00 O ATOM 708 CB THR A 46 12.259 -4.262 -8.058 0.12 0.00 C ATOM 709 OG1 THR A 46 11.101 -5.064 -7.801 0.06 0.00 O ATOM 710 CG2 THR A 46 11.922 -3.191 -9.084 0.34 0.00 C ATOM 0 H THR A 46 12.450 -6.699 -9.571 1.00 0.00 H new ATOM 0 HA THR A 46 14.266 -4.515 -8.812 0.23 0.00 H new ATOM 0 HB THR A 46 12.573 -3.772 -7.136 0.12 0.00 H new ATOM 0 HG1 THR A 46 10.801 -5.482 -8.635 0.06 0.00 H new ATOM 0 HG21 THR A 46 11.099 -2.579 -8.714 0.34 0.00 H new ATOM 0 HG22 THR A 46 12.796 -2.561 -9.253 0.34 0.00 H new ATOM 0 HG23 THR A 46 11.629 -3.664 -10.021 0.34 0.00 H new ATOM 718 N PRO A 47 14.585 -5.602 -6.421 0.22 0.00 N ATOM 719 CA PRO A 47 15.029 -6.427 -5.291 0.05 0.00 C ATOM 720 C PRO A 47 13.865 -6.903 -4.426 1.00 0.00 C ATOM 721 O PRO A 47 14.064 -7.603 -3.433 1.00 0.00 O ATOM 722 CB PRO A 47 15.938 -5.488 -4.491 0.12 0.00 C ATOM 723 CG PRO A 47 15.511 -4.116 -4.880 0.70 0.00 C ATOM 724 CD PRO A 47 15.072 -4.213 -6.313 0.13 0.00 C ATOM 0 HA PRO A 47 15.526 -7.337 -5.627 0.05 0.00 H new ATOM 0 HB2 PRO A 47 15.825 -5.648 -3.419 0.12 0.00 H new ATOM 0 HB3 PRO A 47 16.988 -5.657 -4.729 0.12 0.00 H new ATOM 0 HG2 PRO A 47 14.697 -3.765 -4.245 0.70 0.00 H new ATOM 0 HG3 PRO A 47 16.330 -3.406 -4.770 0.70 0.00 H new ATOM 0 HD2 PRO A 47 14.288 -3.492 -6.544 0.13 0.00 H new ATOM 0 HD3 PRO A 47 15.895 -4.020 -7.001 0.13 0.00 H new ATOM 732 N PHE A 48 12.650 -6.517 -4.807 0.37 0.00 N ATOM 733 CA PHE A 48 11.455 -6.905 -4.066 1.00 0.00 C ATOM 734 C PHE A 48 10.703 -8.021 -4.782 0.14 0.00 C ATOM 735 O PHE A 48 9.818 -8.657 -4.205 0.93 0.00 O ATOM 736 CB PHE A 48 10.529 -5.701 -3.883 0.17 0.00 C ATOM 737 CG PHE A 48 11.212 -4.488 -3.319 0.10 0.00 C ATOM 738 CD1 PHE A 48 11.329 -4.312 -1.951 0.44 0.00 C ATOM 739 CD2 PHE A 48 11.732 -3.519 -4.163 0.24 0.00 C ATOM 740 CE1 PHE A 48 11.952 -3.193 -1.432 1.00 0.00 C ATOM 741 CE2 PHE A 48 12.354 -2.396 -3.651 0.82 0.00 C ATOM 742 CZ PHE A 48 12.463 -2.232 -2.284 1.00 0.00 C ATOM 0 H PHE A 48 12.468 -5.936 -5.625 0.37 0.00 H new ATOM 0 HA PHE A 48 11.773 -7.270 -3.089 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.090 -5.443 -4.847 0.17 0.00 H new ATOM 0 HB3 PHE A 48 9.708 -5.983 -3.224 0.17 0.00 H new ATOM 0 HD1 PHE A 48 10.928 -5.058 -1.281 0.44 0.00 H new ATOM 0 HD2 PHE A 48 11.650 -3.643 -5.233 0.24 0.00 H new ATOM 0 HE1 PHE A 48 12.039 -3.070 -0.363 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.754 -1.648 -4.319 0.82 0.00 H new ATOM 0 HZ PHE A 48 12.947 -1.354 -1.881 1.00 0.00 H new ATOM 752 N GLU A 49 11.055 -8.257 -6.043 0.09 0.00 N ATOM 753 CA GLU A 49 10.406 -9.295 -6.840 1.00 0.00 C ATOM 754 C GLU A 49 10.547 -10.662 -6.174 0.10 0.00 C ATOM 755 O GLU A 49 9.702 -11.539 -6.354 0.08 0.00 O ATOM 756 CB GLU A 49 10.991 -9.324 -8.257 0.14 0.00 C ATOM 757 CG GLU A 49 12.407 -9.877 -8.337 0.19 0.00 C ATOM 758 CD GLU A 49 12.437 -11.386 -8.493 1.00 0.00 C ATOM 759 OE1 GLU A 49 11.969 -11.882 -9.538 0.22 0.00 O ATOM 760 OE2 GLU A 49 12.928 -12.067 -7.570 0.61 0.00 O ATOM 0 H GLU A 49 11.786 -7.744 -6.535 0.09 0.00 H new ATOM 0 HA GLU A 49 9.344 -9.060 -6.907 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.342 -9.925 -8.894 0.14 0.00 H new ATOM 0 HB3 GLU A 49 10.985 -8.312 -8.661 0.14 0.00 H new ATOM 0 HG2 GLU A 49 12.925 -9.418 -9.179 0.19 0.00 H new ATOM 0 HG3 GLU A 49 12.953 -9.598 -7.436 0.19 0.00 H new ATOM 767 N ASP A 50 11.620 -10.837 -5.407 1.00 0.00 N ATOM 768 CA ASP A 50 11.869 -12.097 -4.713 1.00 0.00 C ATOM 769 C ASP A 50 11.135 -12.143 -3.375 1.00 0.00 C ATOM 770 O ASP A 50 10.856 -13.219 -2.847 1.00 0.00 O ATOM 771 CB ASP A 50 13.370 -12.296 -4.493 0.96 0.00 C ATOM 772 CG ASP A 50 13.686 -13.620 -3.825 1.00 0.00 C ATOM 773 OD1 ASP A 50 13.699 -13.668 -2.577 1.00 0.00 O ATOM 774 OD2 ASP A 50 13.922 -14.609 -4.550 0.92 0.00 O ATOM 0 H ASP A 50 12.331 -10.122 -5.250 1.00 0.00 H new ATOM 0 HA ASP A 50 11.490 -12.905 -5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.885 -12.244 -5.452 0.96 0.00 H new ATOM 0 HB3 ASP A 50 13.756 -11.482 -3.880 0.96 0.00 H new ATOM 779 N GLY A 51 10.824 -10.968 -2.833 0.52 0.00 N ATOM 780 CA GLY A 51 10.131 -10.900 -1.559 0.22 0.00 C ATOM 781 C GLY A 51 8.632 -10.717 -1.715 1.00 0.00 C ATOM 782 O GLY A 51 8.139 -10.506 -2.823 0.78 0.00 O ATOM 0 H GLY A 51 11.039 -10.064 -3.253 0.52 0.00 H new ATOM 0 HA2 GLY A 51 10.325 -11.813 -0.996 0.22 0.00 H new ATOM 0 HA3 GLY A 51 10.535 -10.073 -0.974 0.22 0.00 H new ATOM 786 N THR A 52 7.910 -10.799 -0.600 1.00 0.00 N ATOM 787 CA THR A 52 6.460 -10.641 -0.609 0.08 0.00 C ATOM 788 C THR A 52 5.999 -9.771 0.557 0.19 0.00 C ATOM 789 O THR A 52 6.167 -10.138 1.721 1.00 0.00 O ATOM 790 CB THR A 52 5.743 -12.003 -0.534 0.09 0.00 C ATOM 791 OG1 THR A 52 6.161 -12.715 0.637 0.52 0.00 O ATOM 792 CG2 THR A 52 6.036 -12.839 -1.772 0.83 0.00 C ATOM 0 H THR A 52 8.308 -10.974 0.323 1.00 0.00 H new ATOM 0 HA THR A 52 6.199 -10.156 -1.550 0.08 0.00 H new ATOM 0 HB THR A 52 4.670 -11.820 -0.484 0.09 0.00 H new ATOM 0 HG1 THR A 52 6.298 -12.082 1.373 0.52 0.00 H new ATOM 0 HG21 THR A 52 5.519 -13.796 -1.696 0.83 0.00 H new ATOM 0 HG22 THR A 52 5.690 -12.309 -2.659 0.83 0.00 H new ATOM 0 HG23 THR A 52 7.109 -13.012 -1.849 0.83 0.00 H new ATOM 800 N PHE A 53 5.416 -8.618 0.239 0.17 0.00 N ATOM 801 CA PHE A 53 4.937 -7.694 1.262 0.17 0.00 C ATOM 802 C PHE A 53 3.425 -7.802 1.447 0.16 0.00 C ATOM 803 O PHE A 53 2.714 -8.294 0.572 0.12 0.00 O ATOM 804 CB PHE A 53 5.315 -6.258 0.896 0.43 0.00 C ATOM 805 CG PHE A 53 6.778 -5.965 1.063 0.34 0.00 C ATOM 806 CD1 PHE A 53 7.693 -6.359 0.101 1.00 0.00 C ATOM 807 CD2 PHE A 53 7.237 -5.295 2.186 0.12 0.00 C ATOM 808 CE1 PHE A 53 9.040 -6.092 0.255 0.29 0.00 C ATOM 809 CE2 PHE A 53 8.584 -5.026 2.347 1.00 0.00 C ATOM 810 CZ PHE A 53 9.485 -5.425 1.380 0.17 0.00 C ATOM 0 H PHE A 53 5.264 -8.302 -0.719 0.17 0.00 H new ATOM 0 HA PHE A 53 5.414 -7.964 2.204 0.17 0.00 H new ATOM 0 HB2 PHE A 53 5.030 -6.068 -0.139 0.43 0.00 H new ATOM 0 HB3 PHE A 53 4.741 -5.570 1.517 0.43 0.00 H new ATOM 0 HD1 PHE A 53 7.350 -6.881 -0.780 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.535 -4.979 2.944 0.12 0.00 H new ATOM 0 HE1 PHE A 53 9.744 -6.404 -0.503 0.29 0.00 H new ATOM 0 HE2 PHE A 53 8.930 -4.505 3.227 1.00 0.00 H new ATOM 0 HZ PHE A 53 10.537 -5.216 1.503 0.17 0.00 H new ATOM 820 N LYS A 54 2.947 -7.336 2.598 0.34 0.00 N ATOM 821 CA LYS A 54 1.520 -7.369 2.914 0.91 0.00 C ATOM 822 C LYS A 54 1.094 -6.080 3.614 1.00 0.00 C ATOM 823 O LYS A 54 1.890 -5.447 4.308 0.33 0.00 O ATOM 824 CB LYS A 54 1.202 -8.573 3.804 0.52 0.00 C ATOM 825 CG LYS A 54 1.503 -9.910 3.147 1.00 0.00 C ATOM 826 CD LYS A 54 1.334 -11.061 4.125 0.24 0.00 C ATOM 827 CE LYS A 54 1.607 -12.401 3.459 1.00 0.00 C ATOM 828 NZ LYS A 54 0.621 -12.698 2.384 0.60 0.00 N ATOM 0 H LYS A 54 3.529 -6.929 3.330 0.34 0.00 H new ATOM 0 HA LYS A 54 0.965 -7.460 1.980 0.91 0.00 H new ATOM 0 HB2 LYS A 54 1.776 -8.494 4.727 0.52 0.00 H new ATOM 0 HB3 LYS A 54 0.148 -8.542 4.080 0.52 0.00 H new ATOM 0 HG2 LYS A 54 0.840 -10.055 2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.522 -9.906 2.761 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.013 -10.927 4.967 0.24 0.00 H new ATOM 0 HD3 LYS A 54 0.321 -11.053 4.527 0.24 0.00 H new ATOM 0 HE2 LYS A 54 2.613 -12.399 3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.576 -13.192 4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.688 -13.701 2.119 0.60 0.00 H new ATOM 0 HZ2 LYS A 54 -0.339 -12.494 2.728 0.60 0.00 H new ATOM 0 HZ3 LYS A 54 0.824 -12.106 1.553 0.60 0.00 H new ATOM 842 N LEU A 55 -0.166 -5.695 3.429 0.21 0.00 N ATOM 843 CA LEU A 55 -0.692 -4.481 4.047 1.00 0.00 C ATOM 844 C LEU A 55 -2.205 -4.563 4.223 1.00 0.00 C ATOM 845 O LEU A 55 -2.877 -5.349 3.554 1.00 0.00 O ATOM 846 CB LEU A 55 -0.305 -3.237 3.224 0.73 0.00 C ATOM 847 CG LEU A 55 -0.973 -3.071 1.844 0.09 0.00 C ATOM 848 CD1 LEU A 55 -1.022 -4.387 1.081 0.13 0.00 C ATOM 849 CD2 LEU A 55 -2.368 -2.477 1.983 1.00 0.00 C ATOM 0 H LEU A 55 -0.840 -6.204 2.858 0.21 0.00 H new ATOM 0 HA LEU A 55 -0.245 -4.390 5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.534 -2.353 3.819 0.73 0.00 H new ATOM 0 HB3 LEU A 55 0.775 -3.251 3.077 0.73 0.00 H new ATOM 0 HG LEU A 55 -0.360 -2.378 1.267 0.09 0.00 H new ATOM 0 HD11 LEU A 55 -1.500 -4.229 0.114 0.13 0.00 H new ATOM 0 HD12 LEU A 55 -0.008 -4.757 0.929 0.13 0.00 H new ATOM 0 HD13 LEU A 55 -1.593 -5.118 1.653 0.13 0.00 H new ATOM 0 HD21 LEU A 55 -2.818 -2.370 0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.985 -3.136 2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.301 -1.499 2.459 1.00 0.00 H new ATOM 861 N VAL A 56 -2.735 -3.743 5.128 0.60 0.00 N ATOM 862 CA VAL A 56 -4.168 -3.719 5.400 1.00 0.00 C ATOM 863 C VAL A 56 -4.769 -2.359 5.047 0.27 0.00 C ATOM 864 O VAL A 56 -4.094 -1.334 5.130 1.00 0.00 O ATOM 865 CB VAL A 56 -4.462 -4.034 6.882 0.07 0.00 C ATOM 866 CG1 VAL A 56 -3.923 -2.934 7.786 0.09 0.00 C ATOM 867 CG2 VAL A 56 -5.953 -4.235 7.107 0.59 0.00 C ATOM 0 H VAL A 56 -2.191 -3.085 5.686 0.60 0.00 H new ATOM 0 HA VAL A 56 -4.626 -4.487 4.777 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.953 -4.963 7.138 0.07 0.00 H new ATOM 0 HG11 VAL A 56 -4.142 -3.178 8.826 0.09 0.00 H new ATOM 0 HG12 VAL A 56 -2.845 -2.849 7.652 0.09 0.00 H new ATOM 0 HG13 VAL A 56 -4.396 -1.987 7.528 0.09 0.00 H new ATOM 0 HG21 VAL A 56 -6.136 -4.456 8.159 0.59 0.00 H new ATOM 0 HG22 VAL A 56 -6.489 -3.327 6.828 0.59 0.00 H new ATOM 0 HG23 VAL A 56 -6.304 -5.066 6.495 0.59 0.00 H new ATOM 877 N ILE A 57 -6.040 -2.361 4.654 0.10 0.00 N ATOM 878 CA ILE A 57 -6.730 -1.127 4.292 0.06 0.00 C ATOM 879 C ILE A 57 -7.980 -0.938 5.143 0.47 0.00 C ATOM 880 O ILE A 57 -8.960 -1.668 4.994 0.23 0.00 O ATOM 881 CB ILE A 57 -7.133 -1.109 2.802 0.07 0.00 C ATOM 882 CG1 ILE A 57 -5.943 -1.480 1.915 1.00 0.00 C ATOM 883 CG2 ILE A 57 -7.677 0.260 2.419 0.05 0.00 C ATOM 884 CD1 ILE A 57 -5.748 -2.972 1.752 0.34 0.00 C ATOM 0 H ILE A 57 -6.612 -3.202 4.578 0.10 0.00 H new ATOM 0 HA ILE A 57 -6.031 -0.311 4.475 0.06 0.00 H new ATOM 0 HB ILE A 57 -7.917 -1.851 2.648 0.07 0.00 H new ATOM 0 HG12 ILE A 57 -6.080 -1.031 0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.036 -1.048 2.339 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.957 0.258 1.366 0.05 0.00 H new ATOM 0 HG22 ILE A 57 -8.553 0.487 3.027 0.05 0.00 H new ATOM 0 HG23 ILE A 57 -6.911 1.017 2.590 0.05 0.00 H new ATOM 0 HD11 ILE A 57 -4.886 -3.158 1.111 0.34 0.00 H new ATOM 0 HD12 ILE A 57 -5.579 -3.426 2.729 0.34 0.00 H new ATOM 0 HD13 ILE A 57 -6.638 -3.408 1.299 0.34 0.00 H new ATOM 896 N GLU A 58 -7.939 0.047 6.033 0.28 0.00 N ATOM 897 CA GLU A 58 -9.069 0.330 6.910 0.59 0.00 C ATOM 898 C GLU A 58 -9.959 1.421 6.324 0.07 0.00 C ATOM 899 O GLU A 58 -9.495 2.522 6.029 0.08 0.00 O ATOM 900 CB GLU A 58 -8.574 0.751 8.295 0.20 0.00 C ATOM 901 CG GLU A 58 -9.695 1.016 9.285 1.00 0.00 C ATOM 902 CD GLU A 58 -9.189 1.541 10.615 0.19 0.00 C ATOM 903 OE1 GLU A 58 -9.012 2.771 10.739 0.55 0.00 O ATOM 904 OE2 GLU A 58 -8.970 0.721 11.532 1.00 0.00 O ATOM 0 H GLU A 58 -7.136 0.662 6.166 0.28 0.00 H new ATOM 0 HA GLU A 58 -9.659 -0.582 7.002 0.59 0.00 H new ATOM 0 HB2 GLU A 58 -7.926 -0.030 8.693 0.20 0.00 H new ATOM 0 HB3 GLU A 58 -7.967 1.651 8.197 0.20 0.00 H new ATOM 0 HG2 GLU A 58 -10.391 1.737 8.855 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.253 0.094 9.451 1.00 0.00 H new ATOM 911 N PHE A 59 -11.240 1.105 6.158 0.16 0.00 N ATOM 912 CA PHE A 59 -12.199 2.059 5.615 1.00 0.00 C ATOM 913 C PHE A 59 -13.066 2.640 6.726 0.09 0.00 C ATOM 914 O PHE A 59 -13.281 2.000 7.756 0.27 0.00 O ATOM 915 CB PHE A 59 -13.084 1.385 4.565 0.11 0.00 C ATOM 916 CG PHE A 59 -12.324 0.855 3.382 0.35 0.00 C ATOM 917 CD1 PHE A 59 -12.036 1.676 2.302 1.00 0.00 C ATOM 918 CD2 PHE A 59 -11.900 -0.462 3.348 0.47 0.00 C ATOM 919 CE1 PHE A 59 -11.338 1.190 1.211 1.00 0.00 C ATOM 920 CE2 PHE A 59 -11.205 -0.954 2.260 0.30 0.00 C ATOM 921 CZ PHE A 59 -10.923 -0.126 1.189 0.60 0.00 C ATOM 0 H PHE A 59 -11.637 0.195 6.392 0.16 0.00 H new ATOM 0 HA PHE A 59 -11.643 2.870 5.144 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.627 0.564 5.034 0.11 0.00 H new ATOM 0 HB3 PHE A 59 -13.828 2.101 4.216 0.11 0.00 H new ATOM 0 HD1 PHE A 59 -12.360 2.706 2.313 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -12.115 -1.113 4.182 0.47 0.00 H new ATOM 0 HE1 PHE A 59 -11.118 1.840 0.377 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -10.882 -1.985 2.246 0.30 0.00 H new ATOM 0 HZ PHE A 59 -10.379 -0.508 0.338 0.60 0.00 H new ATOM 931 N SER A 60 -13.560 3.855 6.514 0.05 0.00 N ATOM 932 CA SER A 60 -14.403 4.519 7.501 0.98 0.00 C ATOM 933 C SER A 60 -15.812 4.732 6.958 0.91 0.00 C ATOM 934 O SER A 60 -16.004 4.908 5.756 1.00 0.00 O ATOM 935 CB SER A 60 -13.794 5.864 7.905 1.00 0.00 C ATOM 936 OG SER A 60 -13.649 6.717 6.782 0.07 0.00 O ATOM 0 H SER A 60 -13.391 4.400 5.668 0.05 0.00 H new ATOM 0 HA SER A 60 -14.462 3.876 8.379 0.98 0.00 H new ATOM 0 HB2 SER A 60 -14.428 6.344 8.651 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.822 5.701 8.370 1.00 0.00 H new ATOM 0 HG SER A 60 -13.887 7.633 7.034 0.07 0.00 H new ATOM 942 N GLU A 61 -16.794 4.712 7.853 1.00 0.00 N ATOM 943 CA GLU A 61 -18.186 4.906 7.465 0.14 0.00 C ATOM 944 C GLU A 61 -18.513 6.390 7.344 0.08 0.00 C ATOM 945 O GLU A 61 -19.675 6.771 7.208 0.27 0.00 O ATOM 946 CB GLU A 61 -19.118 4.244 8.482 0.08 0.00 C ATOM 947 CG GLU A 61 -18.959 4.783 9.895 0.15 0.00 C ATOM 948 CD GLU A 61 -19.848 4.071 10.894 1.00 0.00 C ATOM 949 OE1 GLU A 61 -19.402 3.055 11.465 1.00 0.00 O ATOM 950 OE2 GLU A 61 -20.991 4.532 11.106 0.19 0.00 O ATOM 0 H GLU A 61 -16.651 4.563 8.852 1.00 0.00 H new ATOM 0 HA GLU A 61 -18.336 4.440 6.491 0.14 0.00 H new ATOM 0 HB2 GLU A 61 -20.150 4.386 8.162 0.08 0.00 H new ATOM 0 HB3 GLU A 61 -18.931 3.170 8.489 0.08 0.00 H new ATOM 0 HG2 GLU A 61 -17.918 4.682 10.203 0.15 0.00 H new ATOM 0 HG3 GLU A 61 -19.191 5.848 9.902 0.15 0.00 H new ATOM 957 N GLU A 62 -17.477 7.223 7.393 0.12 0.00 N ATOM 958 CA GLU A 62 -17.648 8.667 7.289 0.17 0.00 C ATOM 959 C GLU A 62 -18.268 9.050 5.948 0.24 0.00 C ATOM 960 O GLU A 62 -19.461 9.340 5.865 1.00 0.00 O ATOM 961 CB GLU A 62 -16.301 9.373 7.460 0.20 0.00 C ATOM 962 CG GLU A 62 -15.734 9.265 8.864 1.00 0.00 C ATOM 963 CD GLU A 62 -14.338 9.847 8.975 0.39 0.00 C ATOM 964 OE1 GLU A 62 -14.218 11.082 9.107 0.08 0.00 O ATOM 965 OE2 GLU A 62 -13.365 9.065 8.929 1.00 0.00 O ATOM 0 H GLU A 62 -16.509 6.921 7.504 0.12 0.00 H new ATOM 0 HA GLU A 62 -18.323 8.985 8.083 0.17 0.00 H new ATOM 0 HB2 GLU A 62 -15.586 8.950 6.755 0.20 0.00 H new ATOM 0 HB3 GLU A 62 -16.417 10.426 7.204 0.20 0.00 H new ATOM 0 HG2 GLU A 62 -16.395 9.781 9.560 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.712 8.217 9.163 1.00 0.00 H new ATOM 972 N TYR A 63 -17.448 9.047 4.902 0.26 0.00 N ATOM 973 CA TYR A 63 -17.913 9.394 3.564 0.80 0.00 C ATOM 974 C TYR A 63 -17.228 8.524 2.510 1.00 0.00 C ATOM 975 O TYR A 63 -16.124 8.027 2.733 0.08 0.00 O ATOM 976 CB TYR A 63 -17.644 10.873 3.278 0.10 0.00 C ATOM 977 CG TYR A 63 -18.359 11.818 4.217 0.30 0.00 C ATOM 978 CD1 TYR A 63 -19.708 12.109 4.047 0.96 0.00 C ATOM 979 CD2 TYR A 63 -17.687 12.415 5.275 1.00 0.00 C ATOM 980 CE1 TYR A 63 -20.364 12.971 4.906 0.38 0.00 C ATOM 981 CE2 TYR A 63 -18.337 13.277 6.139 0.07 0.00 C ATOM 982 CZ TYR A 63 -19.675 13.551 5.949 0.13 0.00 C ATOM 983 OH TYR A 63 -20.325 14.409 6.806 0.74 0.00 O ATOM 0 H TYR A 63 -16.458 8.808 4.955 0.26 0.00 H new ATOM 0 HA TYR A 63 -18.987 9.212 3.517 0.80 0.00 H new ATOM 0 HB2 TYR A 63 -16.571 11.056 3.341 0.10 0.00 H new ATOM 0 HB3 TYR A 63 -17.946 11.096 2.255 0.10 0.00 H new ATOM 0 HD1 TYR A 63 -20.251 11.655 3.232 0.96 0.00 H new ATOM 0 HD2 TYR A 63 -16.639 12.203 5.426 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -21.412 13.189 4.760 0.38 0.00 H new ATOM 0 HE2 TYR A 63 -17.800 13.733 6.958 0.07 0.00 H new ATOM 0 HH TYR A 63 -19.697 14.730 7.486 0.74 0.00 H new ATOM 993 N PRO A 64 -17.873 8.327 1.344 0.80 0.00 N ATOM 994 CA PRO A 64 -17.309 7.511 0.261 0.69 0.00 C ATOM 995 C PRO A 64 -16.120 8.183 -0.418 0.20 0.00 C ATOM 996 O PRO A 64 -15.583 7.668 -1.399 0.56 0.00 O ATOM 997 CB PRO A 64 -18.474 7.370 -0.720 0.93 0.00 C ATOM 998 CG PRO A 64 -19.312 8.576 -0.483 0.29 0.00 C ATOM 999 CD PRO A 64 -19.198 8.873 0.987 0.12 0.00 C ATOM 0 HA PRO A 64 -16.924 6.560 0.628 0.69 0.00 H new ATOM 0 HB2 PRO A 64 -18.122 7.328 -1.751 0.93 0.00 H new ATOM 0 HB3 PRO A 64 -19.037 6.454 -0.538 0.93 0.00 H new ATOM 0 HG2 PRO A 64 -18.963 9.418 -1.080 0.29 0.00 H new ATOM 0 HG3 PRO A 64 -20.349 8.393 -0.766 0.29 0.00 H new ATOM 0 HD2 PRO A 64 -19.259 9.943 1.187 0.12 0.00 H new ATOM 0 HD3 PRO A 64 -19.996 8.396 1.556 0.12 0.00 H new ATOM 1007 N ASN A 65 -15.713 9.335 0.108 0.14 0.00 N ATOM 1008 CA ASN A 65 -14.585 10.073 -0.451 0.12 0.00 C ATOM 1009 C ASN A 65 -13.607 10.493 0.645 0.84 0.00 C ATOM 1010 O ASN A 65 -12.601 11.147 0.371 0.26 0.00 O ATOM 1011 CB ASN A 65 -15.079 11.307 -1.208 1.00 0.00 C ATOM 1012 CG ASN A 65 -15.772 12.308 -0.304 0.10 0.00 C ATOM 1013 OD1 ASN A 65 -16.380 11.937 0.700 0.09 0.00 O ATOM 1014 ND2 ASN A 65 -15.682 13.586 -0.654 0.12 0.00 N ATOM 0 H ASN A 65 -16.147 9.777 0.919 0.14 0.00 H new ATOM 0 HA ASN A 65 -14.063 9.414 -1.144 0.12 0.00 H new ATOM 0 HB2 ASN A 65 -14.234 11.790 -1.698 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.767 10.995 -1.993 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.127 14.304 -0.082 0.12 0.00 H new ATOM 0 HD22 ASN A 65 -15.168 13.850 -1.495 0.12 0.00 H new ATOM 1021 N LYS A 66 -13.910 10.115 1.884 0.26 0.00 N ATOM 1022 CA LYS A 66 -13.054 10.451 3.018 1.00 0.00 C ATOM 1023 C LYS A 66 -11.696 9.754 2.891 0.10 0.00 C ATOM 1024 O LYS A 66 -11.635 8.578 2.533 0.42 0.00 O ATOM 1025 CB LYS A 66 -13.736 10.045 4.329 0.79 0.00 C ATOM 1026 CG LYS A 66 -13.148 10.708 5.567 0.14 0.00 C ATOM 1027 CD LYS A 66 -11.926 9.965 6.084 1.00 0.00 C ATOM 1028 CE LYS A 66 -11.282 10.694 7.251 0.74 0.00 C ATOM 1029 NZ LYS A 66 -10.076 9.980 7.757 0.54 0.00 N ATOM 0 H LYS A 66 -14.741 9.576 2.128 0.26 0.00 H new ATOM 0 HA LYS A 66 -12.890 11.529 3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.796 10.292 4.266 0.79 0.00 H new ATOM 0 HB3 LYS A 66 -13.667 8.963 4.442 0.79 0.00 H new ATOM 0 HG2 LYS A 66 -12.875 11.737 5.332 0.14 0.00 H new ATOM 0 HG3 LYS A 66 -13.905 10.750 6.350 0.14 0.00 H new ATOM 0 HD2 LYS A 66 -12.214 8.961 6.396 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.200 9.853 5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.004 11.701 6.940 0.74 0.00 H new ATOM 0 HE3 LYS A 66 -12.007 10.798 8.058 0.74 0.00 H new ATOM 0 HZ1 LYS A 66 -9.368 10.674 8.071 0.54 0.00 H new ATOM 0 HZ2 LYS A 66 -10.343 9.371 8.557 0.54 0.00 H new ATOM 0 HZ3 LYS A 66 -9.674 9.396 6.996 0.54 0.00 H new ATOM 1043 N PRO A 67 -10.587 10.473 3.174 0.45 0.00 N ATOM 1044 CA PRO A 67 -9.236 9.904 3.089 1.00 0.00 C ATOM 1045 C PRO A 67 -9.135 8.527 3.749 0.09 0.00 C ATOM 1046 O PRO A 67 -9.375 8.391 4.950 0.65 0.00 O ATOM 1047 CB PRO A 67 -8.383 10.921 3.847 0.06 0.00 C ATOM 1048 CG PRO A 67 -9.092 12.217 3.662 0.35 0.00 C ATOM 1049 CD PRO A 67 -10.560 11.890 3.594 1.00 0.00 C ATOM 0 HA PRO A 67 -8.926 9.744 2.056 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.301 10.661 4.902 0.06 0.00 H new ATOM 0 HB3 PRO A 67 -7.369 10.963 3.449 0.06 0.00 H new ATOM 0 HG2 PRO A 67 -8.883 12.896 4.489 0.35 0.00 H new ATOM 0 HG3 PRO A 67 -8.762 12.714 2.750 0.35 0.00 H new ATOM 0 HD2 PRO A 67 -11.046 12.030 4.559 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.079 12.529 2.880 1.00 0.00 H new ATOM 1057 N PRO A 68 -8.780 7.482 2.974 0.10 0.00 N ATOM 1058 CA PRO A 68 -8.656 6.117 3.501 0.08 0.00 C ATOM 1059 C PRO A 68 -7.463 5.954 4.440 0.10 0.00 C ATOM 1060 O PRO A 68 -6.749 6.914 4.728 0.87 0.00 O ATOM 1061 CB PRO A 68 -8.466 5.264 2.244 0.10 0.00 C ATOM 1062 CG PRO A 68 -7.871 6.195 1.246 0.09 0.00 C ATOM 1063 CD PRO A 68 -8.475 7.543 1.530 1.00 0.00 C ATOM 0 HA PRO A 68 -9.524 5.836 4.098 0.08 0.00 H new ATOM 0 HB2 PRO A 68 -7.809 4.416 2.436 0.10 0.00 H new ATOM 0 HB3 PRO A 68 -9.415 4.859 1.892 0.10 0.00 H new ATOM 0 HG2 PRO A 68 -6.785 6.226 1.339 0.09 0.00 H new ATOM 0 HG3 PRO A 68 -8.095 5.873 0.229 0.09 0.00 H new ATOM 0 HD2 PRO A 68 -7.781 8.351 1.299 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.373 7.715 0.936 1.00 0.00 H new ATOM 1071 N THR A 69 -7.255 4.728 4.912 0.11 0.00 N ATOM 1072 CA THR A 69 -6.154 4.426 5.820 0.32 0.00 C ATOM 1073 C THR A 69 -5.388 3.201 5.338 0.05 0.00 C ATOM 1074 O THR A 69 -5.926 2.093 5.307 0.56 0.00 O ATOM 1075 CB THR A 69 -6.659 4.175 7.254 0.05 0.00 C ATOM 1076 OG1 THR A 69 -7.493 5.259 7.676 0.41 0.00 O ATOM 1077 CG2 THR A 69 -5.491 4.022 8.219 0.34 0.00 C ATOM 0 H THR A 69 -7.838 3.924 4.679 0.11 0.00 H new ATOM 0 HA THR A 69 -5.493 5.293 5.829 0.32 0.00 H new ATOM 0 HB THR A 69 -7.236 3.251 7.256 0.05 0.00 H new ATOM 0 HG1 THR A 69 -7.811 5.091 8.588 0.41 0.00 H new ATOM 0 HG21 THR A 69 -5.871 3.846 9.225 0.34 0.00 H new ATOM 0 HG22 THR A 69 -4.873 3.178 7.911 0.34 0.00 H new ATOM 0 HG23 THR A 69 -4.892 4.932 8.212 0.34 0.00 H new ATOM 1085 N VAL A 70 -4.129 3.403 4.965 0.05 0.00 N ATOM 1086 CA VAL A 70 -3.299 2.313 4.472 0.09 0.00 C ATOM 1087 C VAL A 70 -1.916 2.331 5.116 0.18 0.00 C ATOM 1088 O VAL A 70 -1.322 3.393 5.307 0.87 0.00 O ATOM 1089 CB VAL A 70 -3.148 2.390 2.942 0.09 0.00 C ATOM 1090 CG1 VAL A 70 -2.272 1.258 2.423 1.00 0.00 C ATOM 1091 CG2 VAL A 70 -4.510 2.365 2.270 1.00 0.00 C ATOM 0 H VAL A 70 -3.663 4.310 4.995 0.05 0.00 H new ATOM 0 HA VAL A 70 -3.798 1.382 4.740 0.09 0.00 H new ATOM 0 HB VAL A 70 -2.660 3.333 2.697 0.09 0.00 H new ATOM 0 HG11 VAL A 70 -2.181 1.335 1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.283 1.327 2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.724 0.300 2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.383 2.420 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.026 1.440 2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.099 3.217 2.610 1.00 0.00 H new ATOM 1101 N ARG A 71 -1.408 1.145 5.446 0.43 0.00 N ATOM 1102 CA ARG A 71 -0.095 1.013 6.066 0.69 0.00 C ATOM 1103 C ARG A 71 0.325 -0.453 6.139 0.13 0.00 C ATOM 1104 O ARG A 71 -0.485 -1.325 6.456 1.00 0.00 O ATOM 1105 CB ARG A 71 -0.104 1.622 7.471 0.25 0.00 C ATOM 1106 CG ARG A 71 -1.184 1.052 8.375 0.29 0.00 C ATOM 1107 CD ARG A 71 -1.103 1.637 9.776 1.00 0.00 C ATOM 1108 NE ARG A 71 -2.199 1.180 10.624 1.00 0.00 N ATOM 1109 CZ ARG A 71 -2.391 1.599 11.871 0.15 0.00 C ATOM 1110 NH1 ARG A 71 -1.563 2.483 12.413 0.15 0.00 N ATOM 1111 NH2 ARG A 71 -3.413 1.136 12.577 0.45 0.00 N ATOM 0 H ARG A 71 -1.890 0.259 5.293 0.43 0.00 H new ATOM 0 HA ARG A 71 0.625 1.551 5.450 0.69 0.00 H new ATOM 0 HB2 ARG A 71 0.869 1.459 7.934 0.25 0.00 H new ATOM 0 HB3 ARG A 71 -0.242 2.700 7.390 0.25 0.00 H new ATOM 0 HG2 ARG A 71 -2.165 1.261 7.948 0.29 0.00 H new ATOM 0 HG3 ARG A 71 -1.083 -0.032 8.426 0.29 0.00 H new ATOM 0 HD2 ARG A 71 -0.152 1.358 10.231 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.121 2.725 9.716 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.855 0.501 10.238 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.776 2.843 11.873 0.15 0.00 H new ATOM 0 HH12 ARG A 71 -1.713 2.802 13.370 0.15 0.00 H new ATOM 0 HH21 ARG A 71 -4.053 0.458 12.164 0.45 0.00 H new ATOM 0 HH22 ARG A 71 -3.560 1.458 13.534 0.45 0.00 H new ATOM 1125 N PHE A 72 1.594 -0.717 5.843 1.00 0.00 N ATOM 1126 CA PHE A 72 2.120 -2.077 5.876 0.07 0.00 C ATOM 1127 C PHE A 72 2.128 -2.626 7.299 0.66 0.00 C ATOM 1128 O PHE A 72 2.685 -2.010 8.207 0.57 0.00 O ATOM 1129 CB PHE A 72 3.539 -2.116 5.305 0.41 0.00 C ATOM 1130 CG PHE A 72 3.604 -1.906 3.820 0.08 0.00 C ATOM 1131 CD1 PHE A 72 3.535 -0.631 3.282 0.20 0.00 C ATOM 1132 CD2 PHE A 72 3.740 -2.985 2.961 0.09 0.00 C ATOM 1133 CE1 PHE A 72 3.601 -0.437 1.915 1.00 0.00 C ATOM 1134 CE2 PHE A 72 3.805 -2.798 1.594 0.24 0.00 C ATOM 1135 CZ PHE A 72 3.736 -1.522 1.070 0.10 0.00 C ATOM 0 H PHE A 72 2.277 -0.007 5.578 1.00 0.00 H new ATOM 0 HA PHE A 72 1.468 -2.700 5.264 0.07 0.00 H new ATOM 0 HB2 PHE A 72 4.139 -1.350 5.797 0.41 0.00 H new ATOM 0 HB3 PHE A 72 3.991 -3.078 5.546 0.41 0.00 H new ATOM 0 HD1 PHE A 72 3.428 0.220 3.938 0.20 0.00 H new ATOM 0 HD2 PHE A 72 3.796 -3.985 3.366 0.09 0.00 H new ATOM 0 HE1 PHE A 72 3.547 0.562 1.508 1.00 0.00 H new ATOM 0 HE2 PHE A 72 3.910 -3.648 0.936 0.24 0.00 H new ATOM 0 HZ PHE A 72 3.787 -1.372 0.002 0.10 0.00 H new ATOM 1145 N LEU A 73 1.509 -3.788 7.486 1.00 0.00 N ATOM 1146 CA LEU A 73 1.454 -4.421 8.799 0.74 0.00 C ATOM 1147 C LEU A 73 2.836 -4.908 9.217 1.00 0.00 C ATOM 1148 O LEU A 73 3.162 -4.938 10.404 1.00 0.00 O ATOM 1149 CB LEU A 73 0.470 -5.593 8.787 0.05 0.00 C ATOM 1150 CG LEU A 73 -1.002 -5.209 8.618 0.06 0.00 C ATOM 1151 CD1 LEU A 73 -1.856 -6.454 8.441 1.00 0.00 C ATOM 1152 CD2 LEU A 73 -1.481 -4.398 9.814 0.28 0.00 C ATOM 0 H LEU A 73 1.039 -4.309 6.746 1.00 0.00 H new ATOM 0 HA LEU A 73 1.111 -3.679 9.520 0.74 0.00 H new ATOM 0 HB2 LEU A 73 0.747 -6.270 7.979 0.05 0.00 H new ATOM 0 HB3 LEU A 73 0.579 -6.147 9.719 0.05 0.00 H new ATOM 0 HG LEU A 73 -1.100 -4.593 7.724 0.06 0.00 H new ATOM 0 HD11 LEU A 73 -2.900 -6.165 8.322 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.527 -6.998 7.556 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.754 -7.093 9.318 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.530 -4.133 9.678 0.28 0.00 H new ATOM 0 HD22 LEU A 73 -1.371 -4.990 10.723 0.28 0.00 H new ATOM 0 HD23 LEU A 73 -0.885 -3.489 9.899 0.28 0.00 H new ATOM 1164 N SER A 74 3.643 -5.289 8.232 0.31 0.00 N ATOM 1165 CA SER A 74 4.993 -5.774 8.491 0.45 0.00 C ATOM 1166 C SER A 74 6.007 -4.640 8.365 0.10 0.00 C ATOM 1167 O SER A 74 5.756 -3.645 7.684 0.12 0.00 O ATOM 1168 CB SER A 74 5.348 -6.900 7.519 1.00 0.00 C ATOM 1169 OG SER A 74 6.661 -7.380 7.748 1.00 0.00 O ATOM 0 H SER A 74 3.384 -5.271 7.245 0.31 0.00 H new ATOM 0 HA SER A 74 5.027 -6.160 9.510 0.45 0.00 H new ATOM 0 HB2 SER A 74 4.635 -7.717 7.629 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.264 -6.539 6.494 1.00 0.00 H new ATOM 0 HG SER A 74 6.647 -8.358 7.803 1.00 0.00 H new ATOM 1175 N LYS A 75 7.149 -4.794 9.027 0.26 0.00 N ATOM 1176 CA LYS A 75 8.198 -3.781 8.985 0.18 0.00 C ATOM 1177 C LYS A 75 8.744 -3.628 7.568 0.05 0.00 C ATOM 1178 O LYS A 75 9.161 -4.604 6.946 0.32 0.00 O ATOM 1179 CB LYS A 75 9.330 -4.145 9.947 0.14 0.00 C ATOM 1180 CG LYS A 75 10.417 -3.085 10.045 0.07 0.00 C ATOM 1181 CD LYS A 75 9.889 -1.787 10.641 0.91 0.00 C ATOM 1182 CE LYS A 75 9.473 -1.964 12.094 1.00 0.00 C ATOM 1183 NZ LYS A 75 10.599 -2.444 12.939 0.63 0.00 N ATOM 0 H LYS A 75 7.372 -5.609 9.598 0.26 0.00 H new ATOM 0 HA LYS A 75 7.765 -2.830 9.294 0.18 0.00 H new ATOM 0 HB2 LYS A 75 8.911 -4.315 10.939 0.14 0.00 H new ATOM 0 HB3 LYS A 75 9.780 -5.084 9.625 0.14 0.00 H new ATOM 0 HG2 LYS A 75 11.236 -3.460 10.659 0.07 0.00 H new ATOM 0 HG3 LYS A 75 10.825 -2.890 9.053 0.07 0.00 H new ATOM 0 HD2 LYS A 75 10.657 -1.017 10.573 0.91 0.00 H new ATOM 0 HD3 LYS A 75 9.036 -1.439 10.058 0.91 0.00 H new ATOM 0 HE2 LYS A 75 9.105 -1.015 12.484 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.648 -2.674 12.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.375 -2.281 13.941 0.63 0.00 H new ATOM 0 HZ2 LYS A 75 10.745 -3.461 12.778 0.63 0.00 H new ATOM 0 HZ3 LYS A 75 11.466 -1.926 12.689 0.63 0.00 H new ATOM 1197 N MET A 76 8.741 -2.395 7.069 0.05 0.00 N ATOM 1198 CA MET A 76 9.235 -2.114 5.725 0.20 0.00 C ATOM 1199 C MET A 76 10.027 -0.810 5.693 0.45 0.00 C ATOM 1200 O MET A 76 9.951 -0.002 6.618 0.06 0.00 O ATOM 1201 CB MET A 76 8.069 -2.049 4.732 0.05 0.00 C ATOM 1202 CG MET A 76 6.909 -1.180 5.198 1.00 0.00 C ATOM 1203 SD MET A 76 7.303 0.580 5.194 0.11 0.00 S ATOM 1204 CE MET A 76 5.745 1.274 5.740 0.34 0.00 C ATOM 0 H MET A 76 8.403 -1.576 7.574 0.05 0.00 H new ATOM 0 HA MET A 76 9.903 -2.925 5.435 0.20 0.00 H new ATOM 0 HB2 MET A 76 8.437 -1.667 3.780 0.05 0.00 H new ATOM 0 HB3 MET A 76 7.703 -3.059 4.550 0.05 0.00 H new ATOM 0 HG2 MET A 76 6.048 -1.356 4.553 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.619 -1.480 6.205 1.00 0.00 H new ATOM 0 HE1 MET A 76 5.931 2.190 6.301 0.34 0.00 H new ATOM 0 HE2 MET A 76 5.123 1.499 4.873 0.34 0.00 H new ATOM 0 HE3 MET A 76 5.231 0.556 6.379 0.34 0.00 H new ATOM 1214 N PHE A 77 10.789 -0.615 4.619 0.06 0.00 N ATOM 1215 CA PHE A 77 11.595 0.590 4.460 0.09 0.00 C ATOM 1216 C PHE A 77 11.420 1.174 3.061 0.07 0.00 C ATOM 1217 O PHE A 77 11.599 0.480 2.060 1.00 0.00 O ATOM 1218 CB PHE A 77 13.071 0.276 4.717 1.00 0.00 C ATOM 1219 CG PHE A 77 13.951 1.494 4.753 1.00 0.00 C ATOM 1220 CD1 PHE A 77 14.085 2.235 5.918 1.00 0.00 C ATOM 1221 CD2 PHE A 77 14.645 1.898 3.624 1.00 0.00 C ATOM 1222 CE1 PHE A 77 14.895 3.354 5.954 1.00 0.00 C ATOM 1223 CE2 PHE A 77 15.455 3.016 3.654 1.00 0.00 C ATOM 1224 CZ PHE A 77 15.581 3.745 4.821 0.19 0.00 C ATOM 0 H PHE A 77 10.864 -1.277 3.847 0.06 0.00 H new ATOM 0 HA PHE A 77 11.257 1.328 5.188 0.09 0.00 H new ATOM 0 HB2 PHE A 77 13.161 -0.254 5.665 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.431 -0.398 3.940 1.00 0.00 H new ATOM 0 HD1 PHE A 77 13.550 1.934 6.807 1.00 0.00 H new ATOM 0 HD2 PHE A 77 14.551 1.332 2.709 1.00 0.00 H new ATOM 0 HE1 PHE A 77 14.991 3.922 6.867 1.00 0.00 H new ATOM 0 HE2 PHE A 77 15.989 3.320 2.766 1.00 0.00 H new ATOM 0 HZ PHE A 77 16.215 4.619 4.847 0.19 0.00 H new ATOM 1234 N HIS A 78 11.069 2.456 2.999 0.33 0.00 N ATOM 1235 CA HIS A 78 10.865 3.135 1.724 0.09 0.00 C ATOM 1236 C HIS A 78 11.465 4.540 1.752 0.18 0.00 C ATOM 1237 O HIS A 78 11.615 5.132 2.820 0.35 0.00 O ATOM 1238 CB HIS A 78 9.372 3.217 1.398 0.38 0.00 C ATOM 1239 CG HIS A 78 8.746 1.889 1.110 1.00 0.00 C ATOM 1240 ND1 HIS A 78 8.026 1.164 2.033 1.00 0.00 N ATOM 1241 CD2 HIS A 78 8.738 1.155 -0.032 1.00 0.00 C ATOM 1242 CE1 HIS A 78 7.611 0.036 1.438 1.00 0.00 C ATOM 1243 NE2 HIS A 78 8.017 -0.016 0.182 0.05 0.00 N ATOM 0 H HIS A 78 10.920 3.045 3.818 0.33 0.00 H new ATOM 0 HA HIS A 78 11.370 2.557 0.950 0.09 0.00 H new ATOM 0 HB2 HIS A 78 8.851 3.680 2.236 0.38 0.00 H new ATOM 0 HB3 HIS A 78 9.233 3.869 0.536 0.38 0.00 H new ATOM 0 HD1 HIS A 78 7.841 1.437 2.998 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.215 1.435 -0.959 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.022 -0.729 1.922 1.00 0.00 H new ATOM 1251 N PRO A 79 11.818 5.094 0.576 1.00 0.00 N ATOM 1252 CA PRO A 79 12.399 6.438 0.482 0.29 0.00 C ATOM 1253 C PRO A 79 11.470 7.507 1.045 0.70 0.00 C ATOM 1254 O PRO A 79 11.895 8.627 1.326 1.00 0.00 O ATOM 1255 CB PRO A 79 12.603 6.646 -1.023 1.00 0.00 C ATOM 1256 CG PRO A 79 12.606 5.276 -1.609 0.52 0.00 C ATOM 1257 CD PRO A 79 11.688 4.459 -0.749 1.00 0.00 C ATOM 0 HA PRO A 79 13.319 6.521 1.060 0.29 0.00 H new ATOM 0 HB2 PRO A 79 11.805 7.255 -1.448 1.00 0.00 H new ATOM 0 HB3 PRO A 79 13.541 7.163 -1.226 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.261 5.293 -2.643 0.52 0.00 H new ATOM 0 HG3 PRO A 79 13.612 4.856 -1.615 0.52 0.00 H new ATOM 0 HD2 PRO A 79 10.661 4.491 -1.112 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.985 3.411 -0.725 1.00 0.00 H new ATOM 1265 N ASN A 80 10.198 7.154 1.206 1.00 0.00 N ATOM 1266 CA ASN A 80 9.211 8.083 1.742 0.68 0.00 C ATOM 1267 C ASN A 80 8.172 7.350 2.585 1.00 0.00 C ATOM 1268 O ASN A 80 7.459 6.477 2.093 0.31 0.00 O ATOM 1269 CB ASN A 80 8.524 8.837 0.601 0.07 0.00 C ATOM 1270 CG ASN A 80 7.981 7.909 -0.468 0.06 0.00 C ATOM 1271 OD1 ASN A 80 6.729 7.491 -0.313 0.10 0.00 O flip ATOM 1272 ND2 ASN A 80 8.678 7.570 -1.423 0.15 0.00 N flip ATOM 0 H ASN A 80 9.828 6.233 0.973 1.00 0.00 H new ATOM 0 HA ASN A 80 9.728 8.797 2.383 0.68 0.00 H new ATOM 0 HB2 ASN A 80 7.708 9.436 1.006 0.07 0.00 H new ATOM 0 HB3 ASN A 80 9.234 9.530 0.149 0.07 0.00 H new ATOM 0 HD21 ASN A 80 9.635 7.914 -1.504 0.15 0.00 H new ATOM 0 HD22 ASN A 80 8.299 6.945 -2.134 0.15 0.00 H new ATOM 1279 N VAL A 81 8.096 7.710 3.864 0.53 0.00 N ATOM 1280 CA VAL A 81 7.144 7.096 4.780 0.54 0.00 C ATOM 1281 C VAL A 81 6.807 8.043 5.930 1.00 0.00 C ATOM 1282 O VAL A 81 7.618 8.891 6.303 1.00 0.00 O ATOM 1283 CB VAL A 81 7.683 5.769 5.353 0.18 0.00 C ATOM 1284 CG1 VAL A 81 8.879 6.017 6.263 0.11 0.00 C ATOM 1285 CG2 VAL A 81 6.586 5.020 6.096 0.09 0.00 C ATOM 0 H VAL A 81 8.685 8.426 4.289 0.53 0.00 H new ATOM 0 HA VAL A 81 6.240 6.887 4.208 0.54 0.00 H new ATOM 0 HB VAL A 81 8.015 5.150 4.520 0.18 0.00 H new ATOM 0 HG11 VAL A 81 9.241 5.067 6.655 0.11 0.00 H new ATOM 0 HG12 VAL A 81 9.673 6.502 5.696 0.11 0.00 H new ATOM 0 HG13 VAL A 81 8.579 6.660 7.091 0.11 0.00 H new ATOM 0 HG21 VAL A 81 6.987 4.087 6.492 0.09 0.00 H new ATOM 0 HG22 VAL A 81 6.218 5.635 6.917 0.09 0.00 H new ATOM 0 HG23 VAL A 81 5.767 4.801 5.411 0.09 0.00 H new ATOM 1295 N TYR A 82 5.608 7.900 6.485 0.31 0.00 N ATOM 1296 CA TYR A 82 5.175 8.742 7.594 0.68 0.00 C ATOM 1297 C TYR A 82 5.442 8.057 8.931 0.31 0.00 C ATOM 1298 O TYR A 82 5.936 6.930 8.973 0.14 0.00 O ATOM 1299 CB TYR A 82 3.689 9.080 7.463 0.14 0.00 C ATOM 1300 CG TYR A 82 3.379 10.032 6.329 0.35 0.00 C ATOM 1301 CD1 TYR A 82 3.752 11.369 6.397 0.16 0.00 C ATOM 1302 CD2 TYR A 82 2.712 9.593 5.190 0.22 0.00 C ATOM 1303 CE1 TYR A 82 3.470 12.242 5.363 1.00 0.00 C ATOM 1304 CE2 TYR A 82 2.427 10.460 4.153 0.12 0.00 C ATOM 1305 CZ TYR A 82 2.807 11.782 4.244 0.19 0.00 C ATOM 1306 OH TYR A 82 2.523 12.648 3.212 0.14 0.00 O ATOM 0 H TYR A 82 4.920 7.210 6.185 0.31 0.00 H new ATOM 0 HA TYR A 82 5.749 9.668 7.559 0.68 0.00 H new ATOM 0 HB2 TYR A 82 3.127 8.158 7.315 0.14 0.00 H new ATOM 0 HB3 TYR A 82 3.341 9.518 8.399 0.14 0.00 H new ATOM 0 HD1 TYR A 82 4.271 11.732 7.272 0.16 0.00 H new ATOM 0 HD2 TYR A 82 2.412 8.558 5.115 0.22 0.00 H new ATOM 0 HE1 TYR A 82 3.767 13.278 5.431 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.909 10.104 3.275 0.12 0.00 H new ATOM 0 HH TYR A 82 2.988 12.354 2.401 0.14 0.00 H new ATOM 1316 N ALA A 83 5.113 8.744 10.020 0.18 0.00 N ATOM 1317 CA ALA A 83 5.321 8.202 11.357 1.00 0.00 C ATOM 1318 C ALA A 83 4.441 6.981 11.601 0.12 0.00 C ATOM 1319 O ALA A 83 4.892 5.980 12.158 0.06 0.00 O ATOM 1320 CB ALA A 83 5.050 9.268 12.407 0.64 0.00 C ATOM 0 H ALA A 83 4.701 9.677 10.002 0.18 0.00 H new ATOM 0 HA ALA A 83 6.362 7.887 11.434 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.209 8.849 13.401 0.64 0.00 H new ATOM 0 HB2 ALA A 83 5.727 10.109 12.255 0.64 0.00 H new ATOM 0 HB3 ALA A 83 4.019 9.612 12.319 0.64 0.00 H new ATOM 1326 N ASP A 84 3.185 7.070 11.177 0.76 0.00 N ATOM 1327 CA ASP A 84 2.240 5.972 11.353 0.15 0.00 C ATOM 1328 C ASP A 84 2.611 4.787 10.466 0.13 0.00 C ATOM 1329 O ASP A 84 2.119 3.676 10.662 0.61 0.00 O ATOM 1330 CB ASP A 84 0.820 6.439 11.033 1.00 0.00 C ATOM 1331 CG ASP A 84 0.382 7.596 11.911 0.40 0.00 C ATOM 1332 OD1 ASP A 84 -0.029 7.346 13.063 0.19 0.00 O ATOM 1333 OD2 ASP A 84 0.450 8.753 11.445 0.26 0.00 O ATOM 0 H ASP A 84 2.798 7.890 10.710 0.76 0.00 H new ATOM 0 HA ASP A 84 2.284 5.651 12.394 0.15 0.00 H new ATOM 0 HB2 ASP A 84 0.766 6.739 9.987 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.129 5.606 11.162 1.00 0.00 H new ATOM 1338 N GLY A 85 3.483 5.033 9.493 0.34 0.00 N ATOM 1339 CA GLY A 85 3.905 3.977 8.591 0.06 0.00 C ATOM 1340 C GLY A 85 3.114 3.968 7.298 0.38 0.00 C ATOM 1341 O GLY A 85 3.390 3.172 6.400 0.52 0.00 O ATOM 0 H GLY A 85 3.905 5.944 9.313 0.34 0.00 H new ATOM 0 HA2 GLY A 85 4.964 4.099 8.364 0.06 0.00 H new ATOM 0 HA3 GLY A 85 3.794 3.013 9.088 0.06 0.00 H new ATOM 1345 N SER A 86 2.127 4.853 7.203 0.13 0.00 N ATOM 1346 CA SER A 86 1.294 4.945 6.009 0.10 0.00 C ATOM 1347 C SER A 86 2.132 5.295 4.785 1.00 0.00 C ATOM 1348 O SER A 86 3.212 5.873 4.909 0.23 0.00 O ATOM 1349 CB SER A 86 0.196 5.993 6.209 0.74 0.00 C ATOM 1350 OG SER A 86 0.752 7.273 6.461 0.11 0.00 O ATOM 0 H SER A 86 1.884 5.517 7.938 0.13 0.00 H new ATOM 0 HA SER A 86 0.832 3.972 5.842 0.10 0.00 H new ATOM 0 HB2 SER A 86 -0.436 6.036 5.322 0.74 0.00 H new ATOM 0 HB3 SER A 86 -0.443 5.700 7.042 0.74 0.00 H new ATOM 0 HG SER A 86 0.030 7.925 6.583 0.11 0.00 H new ATOM 1356 N ILE A 87 1.629 4.944 3.605 0.08 0.00 N ATOM 1357 CA ILE A 87 2.337 5.223 2.361 0.20 0.00 C ATOM 1358 C ILE A 87 2.085 6.655 1.901 0.74 0.00 C ATOM 1359 O ILE A 87 0.950 7.131 1.913 1.00 0.00 O ATOM 1360 CB ILE A 87 1.918 4.250 1.237 0.07 0.00 C ATOM 1361 CG1 ILE A 87 2.239 2.807 1.629 1.00 0.00 C ATOM 1362 CG2 ILE A 87 2.611 4.611 -0.069 0.38 0.00 C ATOM 1363 CD1 ILE A 87 1.208 2.180 2.540 0.12 0.00 C ATOM 0 H ILE A 87 0.736 4.467 3.485 0.08 0.00 H new ATOM 0 HA ILE A 87 3.399 5.087 2.564 0.20 0.00 H new ATOM 0 HB ILE A 87 0.841 4.338 1.092 0.07 0.00 H new ATOM 0 HG12 ILE A 87 2.325 2.205 0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.210 2.782 2.123 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.303 3.914 -0.849 0.38 0.00 H new ATOM 0 HG22 ILE A 87 2.336 5.625 -0.359 0.38 0.00 H new ATOM 0 HG23 ILE A 87 3.691 4.553 0.064 0.38 0.00 H new ATOM 0 HD11 ILE A 87 1.504 1.157 2.775 0.12 0.00 H new ATOM 0 HD12 ILE A 87 1.137 2.758 3.462 0.12 0.00 H new ATOM 0 HD13 ILE A 87 0.239 2.172 2.041 0.12 0.00 H new ATOM 1375 N CYS A 88 3.153 7.338 1.499 0.15 0.00 N ATOM 1376 CA CYS A 88 3.047 8.717 1.034 0.12 0.00 C ATOM 1377 C CYS A 88 2.609 8.763 -0.427 0.07 0.00 C ATOM 1378 O CYS A 88 3.433 8.670 -1.337 0.08 0.00 O ATOM 1379 CB CYS A 88 4.383 9.442 1.205 0.06 0.00 C ATOM 1380 SG CYS A 88 4.342 11.185 0.730 0.10 0.00 S ATOM 0 H CYS A 88 4.100 6.960 1.486 0.15 0.00 H new ATOM 0 HA CYS A 88 2.293 9.222 1.637 0.12 0.00 H new ATOM 0 HB2 CYS A 88 4.694 9.368 2.247 0.06 0.00 H new ATOM 0 HB3 CYS A 88 5.140 8.932 0.609 0.06 0.00 H new ATOM 0 HG CYS A 88 5.516 11.712 0.912 0.10 0.00 H new ATOM 1386 N LEU A 89 1.303 8.903 -0.641 0.14 0.00 N ATOM 1387 CA LEU A 89 0.748 8.960 -1.989 0.16 0.00 C ATOM 1388 C LEU A 89 -0.268 10.092 -2.106 1.00 0.00 C ATOM 1389 O LEU A 89 -0.826 10.545 -1.105 0.18 0.00 O ATOM 1390 CB LEU A 89 0.088 7.624 -2.347 1.00 0.00 C ATOM 1391 CG LEU A 89 0.637 6.936 -3.601 0.85 0.00 C ATOM 1392 CD1 LEU A 89 0.471 7.829 -4.822 0.09 0.00 C ATOM 1393 CD2 LEU A 89 2.100 6.558 -3.410 0.15 0.00 C ATOM 0 H LEU A 89 0.610 8.979 0.103 0.14 0.00 H new ATOM 0 HA LEU A 89 1.563 9.152 -2.687 0.16 0.00 H new ATOM 0 HB2 LEU A 89 0.200 6.945 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.981 7.791 -2.483 1.00 0.00 H new ATOM 0 HG LEU A 89 0.065 6.023 -3.765 0.85 0.00 H new ATOM 0 HD11 LEU A 89 0.867 7.321 -5.701 0.09 0.00 H new ATOM 0 HD12 LEU A 89 -0.587 8.045 -4.974 0.09 0.00 H new ATOM 0 HD13 LEU A 89 1.013 8.762 -4.667 0.09 0.00 H new ATOM 0 HD21 LEU A 89 2.471 6.071 -4.312 0.15 0.00 H new ATOM 0 HD22 LEU A 89 2.686 7.457 -3.216 0.15 0.00 H new ATOM 0 HD23 LEU A 89 2.192 5.876 -2.565 0.15 0.00 H new ATOM 1405 N ASP A 90 -0.507 10.543 -3.335 0.35 0.00 N ATOM 1406 CA ASP A 90 -1.454 11.624 -3.584 1.00 0.00 C ATOM 1407 C ASP A 90 -2.892 11.151 -3.387 0.13 0.00 C ATOM 1408 O ASP A 90 -3.791 11.958 -3.148 0.87 0.00 O ATOM 1409 CB ASP A 90 -1.273 12.174 -4.999 1.00 0.00 C ATOM 1410 CG ASP A 90 0.116 12.740 -5.225 0.84 0.00 C ATOM 1411 OD1 ASP A 90 1.016 11.966 -5.609 1.00 0.00 O ATOM 1412 OD2 ASP A 90 0.302 13.958 -5.018 0.44 0.00 O ATOM 0 H ASP A 90 -0.057 10.176 -4.174 0.35 0.00 H new ATOM 0 HA ASP A 90 -1.254 12.418 -2.865 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.461 11.380 -5.722 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.014 12.952 -5.181 1.00 0.00 H new ATOM 1417 N ILE A 91 -3.103 9.842 -3.488 1.00 0.00 N ATOM 1418 CA ILE A 91 -4.434 9.272 -3.318 0.51 0.00 C ATOM 1419 C ILE A 91 -4.937 9.477 -1.892 0.06 0.00 C ATOM 1420 O ILE A 91 -6.116 9.755 -1.676 1.00 0.00 O ATOM 1421 CB ILE A 91 -4.455 7.766 -3.663 0.27 0.00 C ATOM 1422 CG1 ILE A 91 -4.267 7.570 -5.170 0.06 0.00 C ATOM 1423 CG2 ILE A 91 -5.755 7.125 -3.193 1.00 0.00 C ATOM 1424 CD1 ILE A 91 -4.236 6.117 -5.598 0.71 0.00 C ATOM 0 H ILE A 91 -2.372 9.159 -3.686 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.096 9.794 -4.009 0.51 0.00 H new ATOM 0 HB ILE A 91 -3.631 7.277 -3.143 0.27 0.00 H new ATOM 0 HG12 ILE A 91 -5.075 8.077 -5.697 0.06 0.00 H new ATOM 0 HG13 ILE A 91 -3.337 8.049 -5.476 0.06 0.00 H new ATOM 0 HG21 ILE A 91 -5.750 6.065 -3.445 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.848 7.240 -2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.598 7.611 -3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.100 6.059 -6.678 0.71 0.00 H new ATOM 0 HD12 ILE A 91 -3.410 5.609 -5.100 0.71 0.00 H new ATOM 0 HD13 ILE A 91 -5.175 5.637 -5.324 0.71 0.00 H new ATOM 1436 N LEU A 92 -4.038 9.346 -0.921 1.00 0.00 N ATOM 1437 CA LEU A 92 -4.401 9.522 0.481 0.40 0.00 C ATOM 1438 C LEU A 92 -4.734 10.982 0.779 0.45 0.00 C ATOM 1439 O LEU A 92 -5.116 11.326 1.897 0.09 0.00 O ATOM 1440 CB LEU A 92 -3.270 9.042 1.396 0.54 0.00 C ATOM 1441 CG LEU A 92 -3.192 7.526 1.595 1.00 0.00 C ATOM 1442 CD1 LEU A 92 -2.771 6.833 0.309 0.65 0.00 C ATOM 1443 CD2 LEU A 92 -2.233 7.185 2.724 1.00 0.00 C ATOM 0 H LEU A 92 -3.056 9.119 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 92 -5.288 8.919 0.675 0.40 0.00 H new ATOM 0 HB2 LEU A 92 -2.321 9.388 0.986 0.54 0.00 H new ATOM 0 HB3 LEU A 92 -3.387 9.515 2.371 0.54 0.00 H new ATOM 0 HG LEU A 92 -4.185 7.167 1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.722 5.757 0.475 0.65 0.00 H new ATOM 0 HD12 LEU A 92 -3.498 7.047 -0.474 0.65 0.00 H new ATOM 0 HD13 LEU A 92 -1.790 7.198 0.003 0.65 0.00 H new ATOM 0 HD21 LEU A 92 -2.190 6.103 2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.239 7.562 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.581 7.645 3.649 1.00 0.00 H new ATOM 1455 N GLN A 93 -4.586 11.834 -0.231 0.75 0.00 N ATOM 1456 CA GLN A 93 -4.872 13.257 -0.082 0.27 0.00 C ATOM 1457 C GLN A 93 -6.238 13.599 -0.670 0.18 0.00 C ATOM 1458 O GLN A 93 -7.067 12.717 -0.895 0.06 0.00 O ATOM 1459 CB GLN A 93 -3.785 14.090 -0.764 0.06 0.00 C ATOM 1460 CG GLN A 93 -2.381 13.782 -0.268 1.00 0.00 C ATOM 1461 CD GLN A 93 -2.234 13.977 1.228 0.41 0.00 C ATOM 1462 OE1 GLN A 93 -2.488 12.919 1.990 0.16 0.00 O flip ATOM 1463 NE2 GLN A 93 -1.897 15.066 1.694 0.18 0.00 N flip ATOM 0 H GLN A 93 -4.269 11.563 -1.162 0.75 0.00 H new ATOM 0 HA GLN A 93 -4.885 13.493 0.982 0.27 0.00 H new ATOM 0 HB2 GLN A 93 -3.828 13.917 -1.839 0.06 0.00 H new ATOM 0 HB3 GLN A 93 -3.994 15.147 -0.603 0.06 0.00 H new ATOM 0 HG2 GLN A 93 -2.127 12.753 -0.523 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -1.668 14.424 -0.786 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.712 15.852 1.071 0.18 0.00 H new ATOM 0 HE22 GLN A 93 -1.803 15.182 2.703 0.18 0.00 H new ATOM 1472 N ASN A 94 -6.469 14.887 -0.916 0.26 0.00 N ATOM 1473 CA ASN A 94 -7.735 15.343 -1.478 0.57 0.00 C ATOM 1474 C ASN A 94 -7.819 15.017 -2.967 0.19 0.00 C ATOM 1475 O ASN A 94 -8.825 15.299 -3.620 0.35 0.00 O ATOM 1476 CB ASN A 94 -7.896 16.851 -1.260 0.34 0.00 C ATOM 1477 CG ASN A 94 -9.259 17.357 -1.687 0.92 0.00 C ATOM 1478 OD1 ASN A 94 -10.255 16.636 -1.617 0.10 0.00 O ATOM 1479 ND2 ASN A 94 -9.313 18.607 -2.135 0.58 0.00 N ATOM 0 H ASN A 94 -5.796 15.631 -0.735 0.26 0.00 H new ATOM 0 HA ASN A 94 -8.543 14.820 -0.967 0.57 0.00 H new ATOM 0 HB2 ASN A 94 -7.741 17.081 -0.206 0.34 0.00 H new ATOM 0 HB3 ASN A 94 -7.124 17.380 -1.819 0.34 0.00 H new ATOM 0 HD21 ASN A 94 -10.203 19.003 -2.437 0.58 0.00 H new ATOM 0 HD22 ASN A 94 -8.464 19.171 -2.177 0.58 0.00 H new ATOM 1486 N ARG A 95 -6.757 14.417 -3.497 0.07 0.00 N ATOM 1487 CA ARG A 95 -6.709 14.054 -4.910 0.41 0.00 C ATOM 1488 C ARG A 95 -7.498 12.776 -5.179 0.70 0.00 C ATOM 1489 O ARG A 95 -7.686 12.382 -6.331 0.76 0.00 O ATOM 1490 CB ARG A 95 -5.257 13.874 -5.361 1.00 0.00 C ATOM 1491 CG ARG A 95 -4.391 15.105 -5.140 1.00 0.00 C ATOM 1492 CD ARG A 95 -4.860 16.280 -5.984 0.44 0.00 C ATOM 1493 NE ARG A 95 -4.018 17.459 -5.799 1.00 0.00 N ATOM 1494 CZ ARG A 95 -4.184 18.597 -6.467 0.93 0.00 C ATOM 1495 NH1 ARG A 95 -5.160 18.712 -7.358 0.11 0.00 N ATOM 1496 NH2 ARG A 95 -3.374 19.623 -6.244 0.67 0.00 N ATOM 0 H ARG A 95 -5.919 14.172 -2.970 0.07 0.00 H new ATOM 0 HA ARG A 95 -7.165 14.863 -5.480 0.41 0.00 H new ATOM 0 HB2 ARG A 95 -4.821 13.032 -4.823 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -5.244 13.617 -6.420 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -4.414 15.382 -4.086 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -3.355 14.871 -5.386 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -4.857 15.994 -7.036 0.44 0.00 H new ATOM 0 HD3 ARG A 95 -5.889 16.525 -5.723 0.44 0.00 H new ATOM 0 HE ARG A 95 -3.260 17.407 -5.119 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.786 17.926 -7.533 0.11 0.00 H new ATOM 0 HH12 ARG A 95 -5.284 19.586 -7.868 0.11 0.00 H new ATOM 0 HH21 ARG A 95 -2.622 19.540 -5.559 0.67 0.00 H new ATOM 0 HH22 ARG A 95 -3.503 20.495 -6.757 0.67 0.00 H new ATOM 1510 N TRP A 96 -7.956 12.128 -4.111 0.27 0.00 N ATOM 1511 CA TRP A 96 -8.726 10.893 -4.234 0.74 0.00 C ATOM 1512 C TRP A 96 -10.017 11.130 -5.012 0.25 0.00 C ATOM 1513 O TRP A 96 -10.706 12.128 -4.800 0.14 0.00 O ATOM 1514 CB TRP A 96 -9.043 10.325 -2.846 1.00 0.00 C ATOM 1515 CG TRP A 96 -10.079 9.241 -2.858 0.35 0.00 C ATOM 1516 CD1 TRP A 96 -11.279 9.246 -2.203 0.14 0.00 C ATOM 1517 CD2 TRP A 96 -10.013 7.992 -3.558 0.09 0.00 C ATOM 1518 NE1 TRP A 96 -11.958 8.078 -2.450 0.12 0.00 N ATOM 1519 CE2 TRP A 96 -11.202 7.292 -3.280 1.00 0.00 C ATOM 1520 CE3 TRP A 96 -9.062 7.396 -4.394 0.58 0.00 C ATOM 1521 CZ2 TRP A 96 -11.466 6.031 -3.805 1.00 0.00 C ATOM 1522 CZ3 TRP A 96 -9.326 6.143 -4.915 1.00 0.00 C ATOM 1523 CH2 TRP A 96 -10.518 5.472 -4.620 0.28 0.00 C ATOM 0 H TRP A 96 -7.807 12.438 -3.151 0.27 0.00 H new ATOM 0 HA TRP A 96 -8.123 10.170 -4.784 0.74 0.00 H new ATOM 0 HB2 TRP A 96 -8.126 9.933 -2.406 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -9.385 11.135 -2.202 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -11.641 10.052 -1.581 0.14 0.00 H new ATOM 0 HE1 TRP A 96 -12.876 7.835 -2.077 0.12 0.00 H new ATOM 0 HE3 TRP A 96 -8.139 7.906 -4.628 0.58 0.00 H new ATOM 0 HZ2 TRP A 96 -12.385 5.512 -3.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.599 5.674 -5.561 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -10.694 4.494 -5.043 0.28 0.00 H new ATOM 1534 N SER A 97 -10.336 10.205 -5.910 1.00 0.00 N ATOM 1535 CA SER A 97 -11.545 10.306 -6.719 0.06 0.00 C ATOM 1536 C SER A 97 -12.499 9.152 -6.413 0.33 0.00 C ATOM 1537 O SER A 97 -12.087 7.992 -6.402 0.09 0.00 O ATOM 1538 CB SER A 97 -11.189 10.307 -8.208 0.36 0.00 C ATOM 1539 OG SER A 97 -10.332 11.388 -8.527 0.28 0.00 O ATOM 0 H SER A 97 -9.773 9.375 -6.096 1.00 0.00 H new ATOM 0 HA SER A 97 -12.043 11.244 -6.471 0.06 0.00 H new ATOM 0 HB2 SER A 97 -10.705 9.366 -8.470 0.36 0.00 H new ATOM 0 HB3 SER A 97 -12.100 10.373 -8.803 0.36 0.00 H new ATOM 0 HG SER A 97 -10.118 11.365 -9.483 0.28 0.00 H new ATOM 1545 N PRO A 98 -13.789 9.449 -6.156 0.11 0.00 N ATOM 1546 CA PRO A 98 -14.789 8.418 -5.847 1.00 0.00 C ATOM 1547 C PRO A 98 -15.040 7.483 -7.025 0.51 0.00 C ATOM 1548 O PRO A 98 -15.717 6.463 -6.886 0.21 0.00 O ATOM 1549 CB PRO A 98 -16.060 9.218 -5.524 1.00 0.00 C ATOM 1550 CG PRO A 98 -15.594 10.613 -5.277 1.00 0.00 C ATOM 1551 CD PRO A 98 -14.380 10.796 -6.138 0.91 0.00 C ATOM 0 HA PRO A 98 -14.460 7.774 -5.031 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -16.769 9.181 -6.351 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -16.569 8.812 -4.649 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -16.369 11.335 -5.534 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -15.354 10.765 -4.225 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -14.642 11.136 -7.140 0.91 0.00 H new ATOM 0 HD3 PRO A 98 -13.695 11.533 -5.720 0.91 0.00 H new ATOM 1559 N THR A 99 -14.492 7.835 -8.184 1.00 0.00 N ATOM 1560 CA THR A 99 -14.660 7.027 -9.386 0.50 0.00 C ATOM 1561 C THR A 99 -13.838 5.745 -9.309 0.12 0.00 C ATOM 1562 O THR A 99 -14.314 4.670 -9.678 0.70 0.00 O ATOM 1563 CB THR A 99 -14.256 7.812 -10.650 0.05 0.00 C ATOM 1564 OG1 THR A 99 -14.988 9.043 -10.716 0.36 0.00 O ATOM 1565 CG2 THR A 99 -14.522 6.993 -11.905 1.00 0.00 C ATOM 0 H THR A 99 -13.928 8.675 -8.316 1.00 0.00 H new ATOM 0 HA THR A 99 -15.717 6.770 -9.450 0.50 0.00 H new ATOM 0 HB THR A 99 -13.188 8.025 -10.593 0.05 0.00 H new ATOM 0 HG1 THR A 99 -14.725 9.537 -11.520 0.36 0.00 H new ATOM 0 HG21 THR A 99 -14.229 7.568 -12.784 1.00 0.00 H new ATOM 0 HG22 THR A 99 -13.944 6.070 -11.866 1.00 0.00 H new ATOM 0 HG23 THR A 99 -15.584 6.754 -11.965 1.00 0.00 H new ATOM 1573 N TYR A 100 -12.606 5.864 -8.825 0.34 0.00 N ATOM 1574 CA TYR A 100 -11.718 4.714 -8.701 1.00 0.00 C ATOM 1575 C TYR A 100 -12.245 3.723 -7.668 0.18 0.00 C ATOM 1576 O TYR A 100 -13.221 4.000 -6.969 0.30 0.00 O ATOM 1577 CB TYR A 100 -10.307 5.168 -8.325 0.13 0.00 C ATOM 1578 CG TYR A 100 -9.549 5.783 -9.480 1.00 0.00 C ATOM 1579 CD1 TYR A 100 -8.985 4.982 -10.466 1.00 0.00 C ATOM 1580 CD2 TYR A 100 -9.397 7.159 -9.585 0.97 0.00 C ATOM 1581 CE1 TYR A 100 -8.293 5.538 -11.525 0.57 0.00 C ATOM 1582 CE2 TYR A 100 -8.705 7.722 -10.641 1.00 0.00 C ATOM 1583 CZ TYR A 100 -8.156 6.908 -11.608 1.00 0.00 C ATOM 1584 OH TYR A 100 -7.467 7.466 -12.662 0.62 0.00 O ATOM 0 H TYR A 100 -12.200 6.746 -8.512 0.34 0.00 H new ATOM 0 HA TYR A 100 -11.681 4.211 -9.667 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -10.370 5.893 -7.514 0.13 0.00 H new ATOM 0 HB3 TYR A 100 -9.747 4.313 -7.946 0.13 0.00 H new ATOM 0 HD1 TYR A 100 -9.089 3.909 -10.404 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -9.826 7.800 -8.829 0.97 0.00 H new ATOM 0 HE1 TYR A 100 -7.861 4.903 -12.284 0.57 0.00 H new ATOM 0 HE2 TYR A 100 -8.595 8.794 -10.708 1.00 0.00 H new ATOM 0 HH TYR A 100 -7.464 8.442 -12.571 0.62 0.00 H new ATOM 1594 N ASP A 101 -11.592 2.569 -7.576 0.30 0.00 N ATOM 1595 CA ASP A 101 -12.001 1.533 -6.634 0.29 0.00 C ATOM 1596 C ASP A 101 -10.850 1.130 -5.717 0.26 0.00 C ATOM 1597 O ASP A 101 -9.791 1.758 -5.716 0.31 0.00 O ATOM 1598 CB ASP A 101 -12.517 0.309 -7.391 0.24 0.00 C ATOM 1599 CG ASP A 101 -13.725 0.629 -8.249 0.25 0.00 C ATOM 1600 OD1 ASP A 101 -13.540 1.191 -9.349 0.07 0.00 O ATOM 1601 OD2 ASP A 101 -14.857 0.317 -7.821 0.52 0.00 O ATOM 0 H ASP A 101 -10.778 2.328 -8.142 0.30 0.00 H new ATOM 0 HA ASP A 101 -12.801 1.940 -6.015 0.29 0.00 H new ATOM 0 HB2 ASP A 101 -11.721 -0.087 -8.022 0.24 0.00 H new ATOM 0 HB3 ASP A 101 -12.778 -0.473 -6.678 0.24 0.00 H new ATOM 1606 N VAL A 102 -11.070 0.073 -4.941 0.11 0.00 N ATOM 1607 CA VAL A 102 -10.066 -0.429 -4.009 0.44 0.00 C ATOM 1608 C VAL A 102 -8.804 -0.886 -4.740 0.07 0.00 C ATOM 1609 O VAL A 102 -7.727 -0.962 -4.152 0.17 0.00 O ATOM 1610 CB VAL A 102 -10.623 -1.596 -3.169 0.10 0.00 C ATOM 1611 CG1 VAL A 102 -11.002 -2.768 -4.061 0.28 0.00 C ATOM 1612 CG2 VAL A 102 -9.621 -2.024 -2.108 0.13 0.00 C ATOM 0 H VAL A 102 -11.942 -0.456 -4.940 0.11 0.00 H new ATOM 0 HA VAL A 102 -9.807 0.396 -3.346 0.44 0.00 H new ATOM 0 HB VAL A 102 -11.524 -1.251 -2.662 0.10 0.00 H new ATOM 0 HG11 VAL A 102 -11.393 -3.580 -3.448 0.28 0.00 H new ATOM 0 HG12 VAL A 102 -11.764 -2.452 -4.773 0.28 0.00 H new ATOM 0 HG13 VAL A 102 -10.121 -3.113 -4.602 0.28 0.00 H new ATOM 0 HG21 VAL A 102 -10.035 -2.848 -1.528 0.13 0.00 H new ATOM 0 HG22 VAL A 102 -8.698 -2.347 -2.589 0.13 0.00 H new ATOM 0 HG23 VAL A 102 -9.411 -1.184 -1.446 0.13 0.00 H new ATOM 1622 N SER A 103 -8.945 -1.196 -6.023 1.00 0.00 N ATOM 1623 CA SER A 103 -7.814 -1.643 -6.829 0.11 0.00 C ATOM 1624 C SER A 103 -6.804 -0.512 -7.033 0.25 0.00 C ATOM 1625 O SER A 103 -5.603 -0.754 -7.142 0.60 0.00 O ATOM 1626 CB SER A 103 -8.300 -2.158 -8.185 0.13 0.00 C ATOM 1627 OG SER A 103 -9.203 -3.240 -8.026 0.17 0.00 O ATOM 0 H SER A 103 -9.830 -1.146 -6.528 1.00 0.00 H new ATOM 0 HA SER A 103 -7.319 -2.454 -6.295 0.11 0.00 H new ATOM 0 HB2 SER A 103 -8.788 -1.350 -8.731 0.13 0.00 H new ATOM 0 HB3 SER A 103 -7.447 -2.477 -8.783 0.13 0.00 H new ATOM 0 HG SER A 103 -9.622 -3.446 -8.888 0.17 0.00 H new ATOM 1633 N SER A 104 -7.306 0.718 -7.083 0.07 0.00 N ATOM 1634 CA SER A 104 -6.463 1.895 -7.295 0.28 0.00 C ATOM 1635 C SER A 104 -5.328 1.995 -6.273 0.56 0.00 C ATOM 1636 O SER A 104 -4.164 2.133 -6.647 1.00 0.00 O ATOM 1637 CB SER A 104 -7.311 3.166 -7.242 0.39 0.00 C ATOM 1638 OG SER A 104 -6.511 4.319 -7.441 0.12 0.00 O ATOM 0 H SER A 104 -8.299 0.929 -6.979 0.07 0.00 H new ATOM 0 HA SER A 104 -6.010 1.788 -8.281 0.28 0.00 H new ATOM 0 HB2 SER A 104 -8.087 3.122 -8.006 0.39 0.00 H new ATOM 0 HB3 SER A 104 -7.815 3.231 -6.278 0.39 0.00 H new ATOM 0 HG SER A 104 -7.076 5.119 -7.404 0.12 0.00 H new ATOM 1644 N ILE A 105 -5.667 1.925 -4.988 0.30 0.00 N ATOM 1645 CA ILE A 105 -4.660 2.030 -3.932 0.12 0.00 C ATOM 1646 C ILE A 105 -3.602 0.934 -4.048 0.10 0.00 C ATOM 1647 O ILE A 105 -2.411 1.195 -3.878 0.09 0.00 O ATOM 1648 CB ILE A 105 -5.298 1.985 -2.523 1.00 0.00 C ATOM 1649 CG1 ILE A 105 -4.221 1.859 -1.439 0.07 0.00 C ATOM 1650 CG2 ILE A 105 -6.292 0.841 -2.421 0.46 0.00 C ATOM 1651 CD1 ILE A 105 -3.225 2.999 -1.429 0.08 0.00 C ATOM 0 H ILE A 105 -6.622 1.797 -4.653 0.30 0.00 H new ATOM 0 HA ILE A 105 -4.177 2.998 -4.065 0.12 0.00 H new ATOM 0 HB ILE A 105 -5.833 2.922 -2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.705 1.804 -0.464 0.07 0.00 H new ATOM 0 HG13 ILE A 105 -3.684 0.921 -1.581 0.07 0.00 H new ATOM 0 HG21 ILE A 105 -6.729 0.827 -1.423 0.46 0.00 H new ATOM 0 HG22 ILE A 105 -7.081 0.977 -3.161 0.46 0.00 H new ATOM 0 HG23 ILE A 105 -5.780 -0.103 -2.606 0.46 0.00 H new ATOM 0 HD11 ILE A 105 -2.496 2.838 -0.635 0.08 0.00 H new ATOM 0 HD12 ILE A 105 -2.712 3.042 -2.390 0.08 0.00 H new ATOM 0 HD13 ILE A 105 -3.749 3.939 -1.255 0.08 0.00 H new ATOM 1663 N LEU A 106 -4.037 -0.286 -4.338 0.10 0.00 N ATOM 1664 CA LEU A 106 -3.114 -1.408 -4.470 0.81 0.00 C ATOM 1665 C LEU A 106 -2.096 -1.157 -5.580 0.21 0.00 C ATOM 1666 O LEU A 106 -0.896 -1.349 -5.388 0.14 0.00 O ATOM 1667 CB LEU A 106 -3.879 -2.706 -4.751 0.08 0.00 C ATOM 1668 CG LEU A 106 -4.328 -3.490 -3.514 0.12 0.00 C ATOM 1669 CD1 LEU A 106 -3.123 -3.973 -2.720 0.08 0.00 C ATOM 1670 CD2 LEU A 106 -5.237 -2.643 -2.638 0.14 0.00 C ATOM 0 H LEU A 106 -5.018 -0.524 -4.486 0.10 0.00 H new ATOM 0 HA LEU A 106 -2.578 -1.508 -3.526 0.81 0.00 H new ATOM 0 HB2 LEU A 106 -4.760 -2.466 -5.347 0.08 0.00 H new ATOM 0 HB3 LEU A 106 -3.249 -3.354 -5.361 0.08 0.00 H new ATOM 0 HG LEU A 106 -4.892 -4.360 -3.850 0.12 0.00 H new ATOM 0 HD11 LEU A 106 -3.462 -4.528 -1.845 0.08 0.00 H new ATOM 0 HD12 LEU A 106 -2.511 -4.622 -3.346 0.08 0.00 H new ATOM 0 HD13 LEU A 106 -2.531 -3.116 -2.399 0.08 0.00 H new ATOM 0 HD21 LEU A 106 -5.543 -3.221 -1.766 0.14 0.00 H new ATOM 0 HD22 LEU A 106 -4.701 -1.751 -2.313 0.14 0.00 H new ATOM 0 HD23 LEU A 106 -6.119 -2.349 -3.206 0.14 0.00 H new ATOM 1682 N THR A 107 -2.585 -0.725 -6.736 0.78 0.00 N ATOM 1683 CA THR A 107 -1.720 -0.451 -7.879 0.07 0.00 C ATOM 1684 C THR A 107 -0.863 0.788 -7.644 0.58 0.00 C ATOM 1685 O THR A 107 0.229 0.912 -8.202 0.13 0.00 O ATOM 1686 CB THR A 107 -2.540 -0.260 -9.169 0.19 0.00 C ATOM 1687 OG1 THR A 107 -3.439 0.846 -9.019 1.00 0.00 O ATOM 1688 CG2 THR A 107 -3.326 -1.519 -9.502 0.06 0.00 C ATOM 0 H THR A 107 -3.576 -0.557 -6.908 0.78 0.00 H new ATOM 0 HA THR A 107 -1.069 -1.317 -7.995 0.07 0.00 H new ATOM 0 HB THR A 107 -1.848 -0.057 -9.987 0.19 0.00 H new ATOM 0 HG1 THR A 107 -3.492 1.099 -8.074 1.00 0.00 H new ATOM 0 HG21 THR A 107 -3.897 -1.360 -10.417 0.06 0.00 H new ATOM 0 HG22 THR A 107 -2.637 -2.351 -9.645 0.06 0.00 H new ATOM 0 HG23 THR A 107 -4.008 -1.749 -8.684 0.06 0.00 H new ATOM 1696 N SER A 108 -1.361 1.703 -6.819 1.00 0.00 N ATOM 1697 CA SER A 108 -0.637 2.934 -6.516 0.31 0.00 C ATOM 1698 C SER A 108 0.633 2.644 -5.721 0.56 0.00 C ATOM 1699 O SER A 108 1.700 3.179 -6.023 1.00 0.00 O ATOM 1700 CB SER A 108 -1.530 3.899 -5.734 0.35 0.00 C ATOM 1701 OG SER A 108 -0.924 5.174 -5.616 0.06 0.00 O ATOM 0 H SER A 108 -2.262 1.616 -6.348 1.00 0.00 H new ATOM 0 HA SER A 108 -0.353 3.396 -7.462 0.31 0.00 H new ATOM 0 HB2 SER A 108 -2.493 3.996 -6.236 0.35 0.00 H new ATOM 0 HB3 SER A 108 -1.727 3.494 -4.742 0.35 0.00 H new ATOM 0 HG SER A 108 -1.412 5.821 -6.167 0.06 0.00 H new ATOM 1707 N ILE A 109 0.508 1.796 -4.704 1.00 0.00 N ATOM 1708 CA ILE A 109 1.645 1.436 -3.863 0.27 0.00 C ATOM 1709 C ILE A 109 2.605 0.511 -4.602 0.18 0.00 C ATOM 1710 O ILE A 109 3.822 0.598 -4.432 0.26 0.00 O ATOM 1711 CB ILE A 109 1.186 0.748 -2.563 0.08 0.00 C ATOM 1712 CG1 ILE A 109 0.148 1.610 -1.841 1.00 0.00 C ATOM 1713 CG2 ILE A 109 2.379 0.475 -1.656 0.72 0.00 C ATOM 1714 CD1 ILE A 109 -0.506 0.914 -0.667 1.00 0.00 C ATOM 0 H ILE A 109 -0.369 1.346 -4.443 1.00 0.00 H new ATOM 0 HA ILE A 109 2.159 2.364 -3.613 0.27 0.00 H new ATOM 0 HB ILE A 109 0.724 -0.205 -2.820 0.08 0.00 H new ATOM 0 HG12 ILE A 109 0.628 2.524 -1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.623 1.907 -2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 109 2.038 -0.011 -0.742 0.72 0.00 H new ATOM 0 HG22 ILE A 109 3.086 -0.176 -2.171 0.72 0.00 H new ATOM 0 HG23 ILE A 109 2.868 1.416 -1.405 0.72 0.00 H new ATOM 0 HD11 ILE A 109 -1.230 1.584 -0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -1.015 0.015 -1.014 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.255 0.641 0.064 1.00 0.00 H new ATOM 1726 N GLN A 110 2.051 -0.378 -5.422 1.00 0.00 N ATOM 1727 CA GLN A 110 2.862 -1.319 -6.189 1.00 0.00 C ATOM 1728 C GLN A 110 3.802 -0.575 -7.132 0.19 0.00 C ATOM 1729 O GLN A 110 4.979 -0.916 -7.250 0.73 0.00 O ATOM 1730 CB GLN A 110 1.965 -2.268 -6.984 1.00 0.00 C ATOM 1731 CG GLN A 110 2.727 -3.391 -7.669 0.41 0.00 C ATOM 1732 CD GLN A 110 1.846 -4.228 -8.576 0.27 0.00 C ATOM 1733 OE1 GLN A 110 2.181 -5.506 -8.713 1.00 0.00 O flip ATOM 1734 NE2 GLN A 110 0.872 -3.733 -9.145 1.00 0.00 N flip ATOM 0 H GLN A 110 1.046 -0.467 -5.572 1.00 0.00 H new ATOM 0 HA GLN A 110 3.462 -1.902 -5.490 1.00 0.00 H new ATOM 0 HB2 GLN A 110 1.222 -2.700 -6.314 1.00 0.00 H new ATOM 0 HB3 GLN A 110 1.422 -1.697 -7.736 1.00 0.00 H new ATOM 0 HG2 GLN A 110 3.544 -2.967 -8.253 0.41 0.00 H new ATOM 0 HG3 GLN A 110 3.177 -4.034 -6.912 0.41 0.00 H new ATOM 0 HE21 GLN A 110 0.651 -2.746 -9.012 1.00 0.00 H new ATOM 0 HE22 GLN A 110 0.287 -4.310 -9.749 1.00 0.00 H new ATOM 1743 N SER A 111 3.269 0.443 -7.802 0.06 0.00 N ATOM 1744 CA SER A 111 4.056 1.246 -8.732 1.00 0.00 C ATOM 1745 C SER A 111 5.107 2.059 -7.982 0.17 0.00 C ATOM 1746 O SER A 111 6.167 2.374 -8.523 0.40 0.00 O ATOM 1747 CB SER A 111 3.145 2.178 -9.532 0.94 0.00 C ATOM 1748 OG SER A 111 2.461 3.082 -8.682 0.34 0.00 O ATOM 0 H SER A 111 2.294 0.731 -7.718 0.06 0.00 H new ATOM 0 HA SER A 111 4.564 0.572 -9.422 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.738 2.735 -10.258 0.94 0.00 H new ATOM 0 HB3 SER A 111 2.423 1.588 -10.096 0.94 0.00 H new ATOM 0 HG SER A 111 2.422 2.712 -7.775 0.34 0.00 H new ATOM 1754 N LEU A 112 4.800 2.397 -6.733 0.10 0.00 N ATOM 1755 CA LEU A 112 5.707 3.177 -5.897 0.08 0.00 C ATOM 1756 C LEU A 112 7.025 2.430 -5.718 1.00 0.00 C ATOM 1757 O LEU A 112 8.089 3.038 -5.606 0.11 0.00 O ATOM 1758 CB LEU A 112 5.052 3.448 -4.534 0.36 0.00 C ATOM 1759 CG LEU A 112 5.585 4.656 -3.745 1.00 0.00 C ATOM 1760 CD1 LEU A 112 6.953 4.361 -3.152 1.00 0.00 C ATOM 1761 CD2 LEU A 112 5.641 5.899 -4.624 0.47 0.00 C ATOM 0 H LEU A 112 3.925 2.141 -6.276 0.10 0.00 H new ATOM 0 HA LEU A 112 5.914 4.131 -6.383 0.08 0.00 H new ATOM 0 HB2 LEU A 112 3.983 3.588 -4.691 0.36 0.00 H new ATOM 0 HB3 LEU A 112 5.170 2.558 -3.916 0.36 0.00 H new ATOM 0 HG LEU A 112 4.893 4.848 -2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 112 7.306 5.232 -2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.881 3.508 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 112 7.655 4.131 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.021 6.739 -4.043 0.47 0.00 H new ATOM 0 HD22 LEU A 112 6.301 5.716 -5.472 0.47 0.00 H new ATOM 0 HD23 LEU A 112 4.640 6.133 -4.988 0.47 0.00 H new ATOM 1773 N LEU A 113 6.944 1.102 -5.710 0.05 0.00 N ATOM 1774 CA LEU A 113 8.124 0.263 -5.547 0.06 0.00 C ATOM 1775 C LEU A 113 9.022 0.351 -6.771 0.99 0.00 C ATOM 1776 O LEU A 113 10.238 0.509 -6.656 0.08 0.00 O ATOM 1777 CB LEU A 113 7.714 -1.195 -5.332 0.13 0.00 C ATOM 1778 CG LEU A 113 6.450 -1.408 -4.500 0.20 0.00 C ATOM 1779 CD1 LEU A 113 6.170 -2.894 -4.346 0.39 0.00 C ATOM 1780 CD2 LEU A 113 6.586 -0.743 -3.141 0.66 0.00 C ATOM 0 H LEU A 113 6.071 0.585 -5.815 0.05 0.00 H new ATOM 0 HA LEU A 113 8.671 0.622 -4.675 0.06 0.00 H new ATOM 0 HB2 LEU A 113 7.569 -1.661 -6.307 0.13 0.00 H new ATOM 0 HB3 LEU A 113 8.539 -1.718 -4.848 0.13 0.00 H new ATOM 0 HG LEU A 113 5.609 -0.948 -5.019 0.20 0.00 H new ATOM 0 HD11 LEU A 113 5.267 -3.034 -3.752 0.39 0.00 H new ATOM 0 HD12 LEU A 113 6.030 -3.342 -5.330 0.39 0.00 H new ATOM 0 HD13 LEU A 113 7.012 -3.373 -3.846 0.39 0.00 H new ATOM 0 HD21 LEU A 113 5.676 -0.906 -2.564 0.66 0.00 H new ATOM 0 HD22 LEU A 113 7.435 -1.172 -2.609 0.66 0.00 H new ATOM 0 HD23 LEU A 113 6.745 0.327 -3.274 0.66 0.00 H new ATOM 1792 N ASP A 114 8.411 0.248 -7.946 1.00 0.00 N ATOM 1793 CA ASP A 114 9.151 0.295 -9.197 1.00 0.00 C ATOM 1794 C ASP A 114 9.833 1.649 -9.381 1.00 0.00 C ATOM 1795 O ASP A 114 11.060 1.747 -9.340 0.80 0.00 O ATOM 1796 CB ASP A 114 8.217 0.011 -10.376 0.42 0.00 C ATOM 1797 CG ASP A 114 8.970 -0.218 -11.671 1.00 0.00 C ATOM 1798 OD1 ASP A 114 9.609 -1.281 -11.807 1.00 0.00 O ATOM 1799 OD2 ASP A 114 8.915 0.665 -12.553 0.11 0.00 O ATOM 0 H ASP A 114 7.404 0.131 -8.056 1.00 0.00 H new ATOM 0 HA ASP A 114 9.923 -0.473 -9.162 1.00 0.00 H new ATOM 0 HB2 ASP A 114 7.611 -0.867 -10.152 0.42 0.00 H new ATOM 0 HB3 ASP A 114 7.531 0.849 -10.502 0.42 0.00 H new ATOM 1804 N GLU A 115 9.030 2.692 -9.583 1.00 0.00 N ATOM 1805 CA GLU A 115 9.559 4.040 -9.773 1.00 0.00 C ATOM 1806 C GLU A 115 8.762 5.062 -8.961 0.13 0.00 C ATOM 1807 O GLU A 115 7.709 5.524 -9.399 0.07 0.00 O ATOM 1808 CB GLU A 115 9.526 4.418 -11.257 0.08 0.00 C ATOM 1809 CG GLU A 115 10.337 3.483 -12.139 1.00 0.00 C ATOM 1810 CD GLU A 115 10.366 3.927 -13.588 0.62 0.00 C ATOM 1811 OE1 GLU A 115 9.456 3.532 -14.349 0.22 0.00 O ATOM 1812 OE2 GLU A 115 11.299 4.668 -13.964 0.70 0.00 O ATOM 0 H GLU A 115 8.013 2.629 -9.619 1.00 0.00 H new ATOM 0 HA GLU A 115 10.591 4.049 -9.422 1.00 0.00 H new ATOM 0 HB2 GLU A 115 8.491 4.422 -11.600 0.08 0.00 H new ATOM 0 HB3 GLU A 115 9.904 5.434 -11.374 0.08 0.00 H new ATOM 0 HG2 GLU A 115 11.357 3.426 -11.760 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.918 2.479 -12.079 1.00 0.00 H new ATOM 1886 N PRO A 121 9.649 14.567 -0.844 0.06 0.00 N ATOM 1887 CA PRO A 121 10.438 13.627 -0.040 0.58 0.00 C ATOM 1888 C PRO A 121 10.059 13.660 1.437 0.38 0.00 C ATOM 1889 O PRO A 121 10.134 14.704 2.084 0.08 0.00 O ATOM 1890 CB PRO A 121 11.874 14.118 -0.230 0.27 0.00 C ATOM 1891 CG PRO A 121 11.741 15.570 -0.520 0.50 0.00 C ATOM 1892 CD PRO A 121 10.454 15.725 -1.285 0.35 0.00 C ATOM 0 HA PRO A 121 10.278 12.595 -0.351 0.58 0.00 H new ATOM 0 HB2 PRO A 121 12.473 13.946 0.664 0.27 0.00 H new ATOM 0 HB3 PRO A 121 12.367 13.594 -1.049 0.27 0.00 H new ATOM 0 HG2 PRO A 121 11.719 16.151 0.402 0.50 0.00 H new ATOM 0 HG3 PRO A 121 12.588 15.930 -1.104 0.50 0.00 H new ATOM 0 HD2 PRO A 121 9.960 16.669 -1.053 0.35 0.00 H new ATOM 0 HD3 PRO A 121 10.623 15.710 -2.362 0.35 0.00 H new ATOM 1900 N ALA A 122 9.653 12.509 1.961 1.00 0.00 N ATOM 1901 CA ALA A 122 9.267 12.402 3.363 1.00 0.00 C ATOM 1902 C ALA A 122 10.464 12.019 4.227 0.56 0.00 C ATOM 1903 O ALA A 122 10.639 12.541 5.327 0.34 0.00 O ATOM 1904 CB ALA A 122 8.147 11.387 3.525 0.20 0.00 C ATOM 0 H ALA A 122 9.583 11.637 1.436 1.00 0.00 H new ATOM 0 HA ALA A 122 8.907 13.376 3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 122 7.869 11.317 4.577 0.20 0.00 H new ATOM 0 HB2 ALA A 122 7.283 11.703 2.941 0.20 0.00 H new ATOM 0 HB3 ALA A 122 8.486 10.412 3.174 0.20 0.00 H new ATOM 1910 N ASN A 123 11.281 11.103 3.717 0.22 0.00 N ATOM 1911 CA ASN A 123 12.468 10.650 4.435 0.20 0.00 C ATOM 1912 C ASN A 123 13.729 10.978 3.641 0.15 0.00 C ATOM 1913 O ASN A 123 14.114 10.236 2.735 0.29 0.00 O ATOM 1914 CB ASN A 123 12.389 9.144 4.696 0.92 0.00 C ATOM 1915 CG ASN A 123 13.497 8.655 5.609 0.45 0.00 C ATOM 1916 OD1 ASN A 123 14.014 9.407 6.436 0.07 0.00 O ATOM 1917 ND2 ASN A 123 13.866 7.386 5.466 0.15 0.00 N ATOM 0 H ASN A 123 11.143 10.659 2.809 0.22 0.00 H new ATOM 0 HA ASN A 123 12.512 11.171 5.391 0.20 0.00 H new ATOM 0 HB2 ASN A 123 11.423 8.906 5.142 0.92 0.00 H new ATOM 0 HB3 ASN A 123 12.442 8.611 3.747 0.92 0.00 H new ATOM 0 HD21 ASN A 123 14.604 7.000 6.054 0.15 0.00 H new ATOM 0 HD22 ASN A 123 13.411 6.798 4.768 0.15 0.00 H new ATOM 1924 N SER A 124 14.362 12.094 3.983 0.20 0.00 N ATOM 1925 CA SER A 124 15.574 12.528 3.297 0.86 0.00 C ATOM 1926 C SER A 124 16.736 11.578 3.567 1.00 0.00 C ATOM 1927 O SER A 124 17.652 11.459 2.755 0.43 0.00 O ATOM 1928 CB SER A 124 15.947 13.945 3.734 0.46 0.00 C ATOM 1929 OG SER A 124 16.178 14.004 5.130 0.06 0.00 O ATOM 0 H SER A 124 14.056 12.715 4.732 0.20 0.00 H new ATOM 0 HA SER A 124 15.373 12.521 2.226 0.86 0.00 H new ATOM 0 HB2 SER A 124 16.840 14.270 3.200 0.46 0.00 H new ATOM 0 HB3 SER A 124 15.147 14.634 3.465 0.46 0.00 H new ATOM 0 HG SER A 124 16.416 14.920 5.384 0.06 0.00 H new ATOM 1935 N GLN A 125 16.690 10.902 4.710 0.08 0.00 N ATOM 1936 CA GLN A 125 17.743 9.966 5.087 0.05 0.00 C ATOM 1937 C GLN A 125 17.841 8.814 4.090 0.74 0.00 C ATOM 1938 O GLN A 125 18.929 8.477 3.624 0.10 0.00 O ATOM 1939 CB GLN A 125 17.487 9.419 6.492 0.87 0.00 C ATOM 1940 CG GLN A 125 18.587 8.501 7.000 1.00 0.00 C ATOM 1941 CD GLN A 125 18.301 7.961 8.387 0.94 0.00 C ATOM 1942 OE1 GLN A 125 18.676 8.566 9.393 0.08 0.00 O ATOM 1943 NE2 GLN A 125 17.633 6.814 8.450 0.29 0.00 N ATOM 0 H GLN A 125 15.935 10.985 5.391 0.08 0.00 H new ATOM 0 HA GLN A 125 18.690 10.506 5.079 0.05 0.00 H new ATOM 0 HB2 GLN A 125 17.375 10.255 7.183 0.87 0.00 H new ATOM 0 HB3 GLN A 125 16.542 8.875 6.494 0.87 0.00 H new ATOM 0 HG2 GLN A 125 18.709 7.668 6.308 1.00 0.00 H new ATOM 0 HG3 GLN A 125 19.532 9.045 7.013 1.00 0.00 H new ATOM 0 HE21 GLN A 125 17.341 6.346 7.592 0.29 0.00 H new ATOM 0 HE22 GLN A 125 17.412 6.402 9.356 0.29 0.00 H new ATOM 1952 N ALA A 126 16.699 8.214 3.768 1.00 0.00 N ATOM 1953 CA ALA A 126 16.658 7.095 2.832 0.36 0.00 C ATOM 1954 C ALA A 126 17.124 7.509 1.439 0.13 0.00 C ATOM 1955 O ALA A 126 18.026 6.894 0.869 0.97 0.00 O ATOM 1956 CB ALA A 126 15.251 6.519 2.766 0.70 0.00 C ATOM 0 H ALA A 126 15.789 8.484 4.142 1.00 0.00 H new ATOM 0 HA ALA A 126 17.344 6.330 3.197 0.36 0.00 H new ATOM 0 HB1 ALA A 126 15.232 5.685 2.065 0.70 0.00 H new ATOM 0 HB2 ALA A 126 14.954 6.169 3.755 0.70 0.00 H new ATOM 0 HB3 ALA A 126 14.557 7.290 2.431 0.70 0.00 H new ATOM 1962 N ALA A 127 16.503 8.552 0.895 0.16 0.00 N ATOM 1963 CA ALA A 127 16.845 9.044 -0.435 1.00 0.00 C ATOM 1964 C ALA A 127 18.316 9.437 -0.535 0.08 0.00 C ATOM 1965 O ALA A 127 18.953 9.231 -1.569 0.25 0.00 O ATOM 1966 CB ALA A 127 15.957 10.224 -0.801 1.00 0.00 C ATOM 0 H ALA A 127 15.758 9.074 1.357 0.16 0.00 H new ATOM 0 HA ALA A 127 16.675 8.232 -1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 127 16.221 10.583 -1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 127 14.913 9.910 -0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 127 16.100 11.025 -0.076 1.00 0.00 H new ATOM 1972 N GLN A 128 18.853 10.005 0.541 0.34 0.00 N ATOM 1973 CA GLN A 128 20.248 10.431 0.565 0.05 0.00 C ATOM 1974 C GLN A 128 21.193 9.232 0.524 1.00 0.00 C ATOM 1975 O GLN A 128 22.214 9.260 -0.163 0.18 0.00 O ATOM 1976 CB GLN A 128 20.526 11.273 1.812 0.84 0.00 C ATOM 1977 CG GLN A 128 21.972 11.727 1.936 0.15 0.00 C ATOM 1978 CD GLN A 128 22.222 12.561 3.177 0.68 0.00 C ATOM 1979 OE1 GLN A 128 21.470 12.287 4.238 0.35 0.00 O flip ATOM 1980 NE2 GLN A 128 23.084 13.439 3.185 0.23 0.00 N flip ATOM 0 H GLN A 128 18.343 10.181 1.407 0.34 0.00 H new ATOM 0 HA GLN A 128 20.427 11.037 -0.323 0.05 0.00 H new ATOM 0 HB2 GLN A 128 19.879 12.150 1.798 0.84 0.00 H new ATOM 0 HB3 GLN A 128 20.259 10.694 2.697 0.84 0.00 H new ATOM 0 HG2 GLN A 128 22.622 10.852 1.955 0.15 0.00 H new ATOM 0 HG3 GLN A 128 22.243 12.307 1.054 0.15 0.00 H new ATOM 0 HE21 GLN A 128 23.639 13.616 2.348 0.23 0.00 H new ATOM 0 HE22 GLN A 128 23.243 13.989 4.029 0.23 0.00 H new ATOM 1989 N LEU A 129 20.845 8.184 1.261 0.10 0.00 N ATOM 1990 CA LEU A 129 21.663 6.976 1.309 0.11 0.00 C ATOM 1991 C LEU A 129 21.804 6.351 -0.078 0.06 0.00 C ATOM 1992 O LEU A 129 22.786 5.666 -0.362 0.14 0.00 O ATOM 1993 CB LEU A 129 21.056 5.964 2.284 0.48 0.00 C ATOM 1994 CG LEU A 129 21.180 6.335 3.766 0.36 0.00 C ATOM 1995 CD1 LEU A 129 20.306 5.426 4.618 0.86 0.00 C ATOM 1996 CD2 LEU A 129 22.630 6.254 4.219 0.42 0.00 C ATOM 0 H LEU A 129 20.002 8.145 1.834 0.10 0.00 H new ATOM 0 HA LEU A 129 22.657 7.255 1.658 0.11 0.00 H new ATOM 0 HB2 LEU A 129 20.000 5.839 2.044 0.48 0.00 H new ATOM 0 HB3 LEU A 129 21.535 4.998 2.126 0.48 0.00 H new ATOM 0 HG LEU A 129 20.837 7.362 3.892 0.36 0.00 H new ATOM 0 HD11 LEU A 129 20.406 5.704 5.667 0.86 0.00 H new ATOM 0 HD12 LEU A 129 19.265 5.532 4.313 0.86 0.00 H new ATOM 0 HD13 LEU A 129 20.620 4.391 4.485 0.86 0.00 H new ATOM 0 HD21 LEU A 129 22.697 6.521 5.274 0.42 0.00 H new ATOM 0 HD22 LEU A 129 22.999 5.238 4.078 0.42 0.00 H new ATOM 0 HD23 LEU A 129 23.234 6.945 3.631 0.42 0.00 H new ATOM 2008 N TYR A 130 20.815 6.591 -0.936 1.00 0.00 N ATOM 2009 CA TYR A 130 20.829 6.046 -2.292 0.41 0.00 C ATOM 2010 C TYR A 130 22.035 6.553 -3.081 0.76 0.00 C ATOM 2011 O TYR A 130 22.617 5.817 -3.878 0.14 0.00 O ATOM 2012 CB TYR A 130 19.535 6.410 -3.025 0.19 0.00 C ATOM 2013 CG TYR A 130 19.448 5.841 -4.425 0.49 0.00 C ATOM 2014 CD1 TYR A 130 19.165 4.498 -4.634 0.84 0.00 C ATOM 2015 CD2 TYR A 130 19.651 6.649 -5.537 0.13 0.00 C ATOM 2016 CE1 TYR A 130 19.085 3.974 -5.909 1.00 0.00 C ATOM 2017 CE2 TYR A 130 19.574 6.134 -6.818 1.00 0.00 C ATOM 2018 CZ TYR A 130 19.290 4.796 -6.999 0.97 0.00 C ATOM 2019 OH TYR A 130 19.211 4.278 -8.271 0.19 0.00 O ATOM 0 H TYR A 130 19.996 7.158 -0.717 1.00 0.00 H new ATOM 0 HA TYR A 130 20.904 4.961 -2.214 0.41 0.00 H new ATOM 0 HB2 TYR A 130 18.685 6.052 -2.443 0.19 0.00 H new ATOM 0 HB3 TYR A 130 19.451 7.495 -3.078 0.19 0.00 H new ATOM 0 HD1 TYR A 130 19.005 3.851 -3.784 0.84 0.00 H new ATOM 0 HD2 TYR A 130 19.873 7.697 -5.399 0.13 0.00 H new ATOM 0 HE1 TYR A 130 18.863 2.927 -6.053 1.00 0.00 H new ATOM 0 HE2 TYR A 130 19.735 6.775 -7.672 1.00 0.00 H new ATOM 0 HH TYR A 130 19.380 4.988 -8.925 0.19 0.00 H new ATOM 2029 N GLN A 131 22.406 7.810 -2.856 0.30 0.00 N ATOM 2030 CA GLN A 131 23.540 8.406 -3.555 0.35 0.00 C ATOM 2031 C GLN A 131 24.797 8.391 -2.688 0.18 0.00 C ATOM 2032 O GLN A 131 25.912 8.520 -3.193 1.00 0.00 O ATOM 2033 CB GLN A 131 23.209 9.840 -3.977 0.76 0.00 C ATOM 2034 CG GLN A 131 22.860 10.755 -2.814 0.16 0.00 C ATOM 2035 CD GLN A 131 22.467 12.151 -3.262 0.79 0.00 C ATOM 2036 OE1 GLN A 131 23.043 12.605 -4.369 0.12 0.00 O flip ATOM 2037 NE2 GLN A 131 21.654 12.814 -2.618 1.00 0.00 N flip ATOM 0 H GLN A 131 21.940 8.434 -2.197 0.30 0.00 H new ATOM 0 HA GLN A 131 23.736 7.808 -4.445 0.35 0.00 H new ATOM 0 HB2 GLN A 131 24.061 10.257 -4.513 0.76 0.00 H new ATOM 0 HB3 GLN A 131 22.372 9.820 -4.675 0.76 0.00 H new ATOM 0 HG2 GLN A 131 22.040 10.316 -2.246 0.16 0.00 H new ATOM 0 HG3 GLN A 131 23.715 10.821 -2.141 0.16 0.00 H new ATOM 0 HE21 GLN A 131 21.235 12.426 -1.773 1.00 0.00 H new ATOM 0 HE22 GLN A 131 21.399 13.751 -2.930 1.00 0.00 H new ATOM 2046 N GLU A 132 24.608 8.231 -1.380 0.90 0.00 N ATOM 2047 CA GLU A 132 25.728 8.198 -0.444 0.59 0.00 C ATOM 2048 C GLU A 132 26.267 6.781 -0.289 1.00 0.00 C ATOM 2049 O GLU A 132 27.292 6.427 -0.873 0.07 0.00 O ATOM 2050 CB GLU A 132 25.299 8.741 0.921 0.84 0.00 C ATOM 2051 CG GLU A 132 24.954 10.219 0.907 0.50 0.00 C ATOM 2052 CD GLU A 132 26.155 11.095 0.603 1.00 0.00 C ATOM 2053 OE1 GLU A 132 26.457 11.293 -0.593 0.11 0.00 O ATOM 2054 OE2 GLU A 132 26.790 11.584 1.560 0.05 0.00 O ATOM 0 H GLU A 132 23.692 8.122 -0.945 0.90 0.00 H new ATOM 0 HA GLU A 132 26.520 8.829 -0.847 0.59 0.00 H new ATOM 0 HB2 GLU A 132 24.434 8.178 1.271 0.84 0.00 H new ATOM 0 HB3 GLU A 132 26.101 8.571 1.639 0.84 0.00 H new ATOM 0 HG2 GLU A 132 24.179 10.400 0.163 0.50 0.00 H new ATOM 0 HG3 GLU A 132 24.539 10.501 1.875 0.50 0.00 H new ATOM 2061 N ASN A 133 25.567 5.976 0.503 1.00 0.00 N ATOM 2062 CA ASN A 133 25.969 4.597 0.738 0.15 0.00 C ATOM 2063 C ASN A 133 24.922 3.631 0.196 0.16 0.00 C ATOM 2064 O ASN A 133 23.944 3.312 0.872 1.00 0.00 O ATOM 2065 CB ASN A 133 26.186 4.354 2.231 0.22 0.00 C ATOM 2066 CG ASN A 133 27.372 5.127 2.773 1.00 0.00 C ATOM 2067 OD1 ASN A 133 27.233 6.262 3.228 0.16 0.00 O ATOM 2068 ND2 ASN A 133 28.549 4.516 2.723 0.77 0.00 N ATOM 0 H ASN A 133 24.718 6.257 0.993 1.00 0.00 H new ATOM 0 HA ASN A 133 26.907 4.420 0.212 0.15 0.00 H new ATOM 0 HB2 ASN A 133 25.288 4.641 2.778 0.22 0.00 H new ATOM 0 HB3 ASN A 133 26.339 3.289 2.405 0.22 0.00 H new ATOM 0 HD21 ASN A 133 29.384 4.988 3.070 0.77 0.00 H new ATOM 0 HD22 ASN A 133 28.619 3.574 2.337 0.77 0.00 H new ATOM 2075 N LYS A 134 25.131 3.176 -1.035 0.17 0.00 N ATOM 2076 CA LYS A 134 24.209 2.248 -1.675 0.07 0.00 C ATOM 2077 C LYS A 134 24.271 0.879 -1.005 0.66 0.00 C ATOM 2078 O LYS A 134 23.316 0.104 -1.064 1.00 0.00 O ATOM 2079 CB LYS A 134 24.540 2.124 -3.164 1.00 0.00 C ATOM 2080 CG LYS A 134 23.534 1.293 -3.946 1.00 0.00 C ATOM 2081 CD LYS A 134 23.968 1.113 -5.391 0.06 0.00 C ATOM 2082 CE LYS A 134 22.936 0.335 -6.192 0.15 0.00 C ATOM 2083 NZ LYS A 134 23.375 0.114 -7.597 1.00 0.00 N ATOM 0 H LYS A 134 25.933 3.436 -1.609 0.17 0.00 H new ATOM 0 HA LYS A 134 23.196 2.636 -1.568 0.07 0.00 H new ATOM 0 HB2 LYS A 134 24.591 3.122 -3.600 1.00 0.00 H new ATOM 0 HB3 LYS A 134 25.529 1.678 -3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 134 23.421 0.317 -3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 134 22.558 1.777 -3.915 1.00 0.00 H new ATOM 0 HD2 LYS A 134 24.124 2.090 -5.849 0.06 0.00 H new ATOM 0 HD3 LYS A 134 24.924 0.590 -5.422 0.06 0.00 H new ATOM 0 HE2 LYS A 134 22.755 -0.627 -5.713 0.15 0.00 H new ATOM 0 HE3 LYS A 134 21.990 0.876 -6.188 0.15 0.00 H new ATOM 0 HZ1 LYS A 134 22.644 -0.420 -8.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 23.524 1.032 -8.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 24.264 -0.425 -7.602 1.00 0.00 H new ATOM 2097 N ARG A 135 25.402 0.592 -0.367 0.93 0.00 N ATOM 2098 CA ARG A 135 25.595 -0.683 0.316 0.58 0.00 C ATOM 2099 C ARG A 135 24.736 -0.772 1.576 0.10 0.00 C ATOM 2100 O ARG A 135 24.308 -1.856 1.969 0.09 0.00 O ATOM 2101 CB ARG A 135 27.070 -0.875 0.676 0.15 0.00 C ATOM 2102 CG ARG A 135 27.643 0.251 1.523 1.00 0.00 C ATOM 2103 CD ARG A 135 29.115 0.027 1.824 0.38 0.00 C ATOM 2104 NE ARG A 135 29.917 -0.044 0.606 0.06 0.00 N ATOM 2105 CZ ARG A 135 31.231 -0.251 0.596 1.00 0.00 C ATOM 2106 NH1 ARG A 135 31.889 -0.415 1.735 0.46 0.00 N ATOM 2107 NH2 ARG A 135 31.887 -0.293 -0.555 0.55 0.00 N ATOM 0 H ARG A 135 26.199 1.226 -0.309 0.93 0.00 H new ATOM 0 HA ARG A 135 25.286 -1.476 -0.365 0.58 0.00 H new ATOM 0 HB2 ARG A 135 27.184 -1.817 1.213 0.15 0.00 H new ATOM 0 HB3 ARG A 135 27.651 -0.959 -0.242 0.15 0.00 H new ATOM 0 HG2 ARG A 135 27.517 1.200 1.002 1.00 0.00 H new ATOM 0 HG3 ARG A 135 27.086 0.324 2.457 1.00 0.00 H new ATOM 0 HD2 ARG A 135 29.484 0.836 2.454 0.38 0.00 H new ATOM 0 HD3 ARG A 135 29.233 -0.897 2.390 0.38 0.00 H new ATOM 0 HE ARG A 135 29.442 0.072 -0.289 0.06 0.00 H new ATOM 0 HH11 ARG A 135 31.388 -0.383 2.623 0.46 0.00 H new ATOM 0 HH12 ARG A 135 32.897 -0.574 1.724 0.46 0.00 H new ATOM 0 HH21 ARG A 135 31.384 -0.167 -1.433 0.55 0.00 H new ATOM 0 HH22 ARG A 135 32.895 -0.452 -0.562 0.55 0.00 H new ATOM 2121 N GLU A 136 24.489 0.373 2.205 0.30 0.00 N ATOM 2122 CA GLU A 136 23.683 0.415 3.421 1.00 0.00 C ATOM 2123 C GLU A 136 22.195 0.334 3.094 0.07 0.00 C ATOM 2124 O GLU A 136 21.399 -0.155 3.898 0.47 0.00 O ATOM 2125 CB GLU A 136 23.977 1.693 4.212 0.07 0.00 C ATOM 2126 CG GLU A 136 23.247 1.765 5.545 1.00 0.00 C ATOM 2127 CD GLU A 136 23.603 3.007 6.337 0.08 0.00 C ATOM 2128 OE1 GLU A 136 24.670 3.012 6.986 0.16 0.00 O ATOM 2129 OE2 GLU A 136 22.811 3.974 6.312 0.55 0.00 O ATOM 0 H GLU A 136 24.834 1.281 1.894 0.30 0.00 H new ATOM 0 HA GLU A 136 23.948 -0.449 4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 136 25.050 1.761 4.391 0.07 0.00 H new ATOM 0 HB3 GLU A 136 23.699 2.557 3.608 0.07 0.00 H new ATOM 0 HG2 GLU A 136 22.172 1.747 5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 136 23.487 0.881 6.135 1.00 0.00 H new ATOM 2136 N TYR A 137 21.825 0.813 1.911 0.31 0.00 N ATOM 2137 CA TYR A 137 20.431 0.797 1.482 0.07 0.00 C ATOM 2138 C TYR A 137 20.006 -0.603 1.047 0.11 0.00 C ATOM 2139 O TYR A 137 18.928 -1.074 1.410 0.25 0.00 O ATOM 2140 CB TYR A 137 20.215 1.788 0.336 0.35 0.00 C ATOM 2141 CG TYR A 137 18.791 1.827 -0.173 1.00 0.00 C ATOM 2142 CD1 TYR A 137 17.830 2.610 0.454 0.20 0.00 C ATOM 2143 CD2 TYR A 137 18.406 1.080 -1.281 0.95 0.00 C ATOM 2144 CE1 TYR A 137 16.528 2.647 -0.005 0.05 0.00 C ATOM 2145 CE2 TYR A 137 17.106 1.112 -1.746 0.28 0.00 C ATOM 2146 CZ TYR A 137 16.171 1.897 -1.107 1.00 0.00 C ATOM 2147 OH TYR A 137 14.875 1.930 -1.569 0.81 0.00 O ATOM 0 H TYR A 137 22.471 1.217 1.232 0.31 0.00 H new ATOM 0 HA TYR A 137 19.816 1.094 2.331 0.07 0.00 H new ATOM 0 HB2 TYR A 137 20.499 2.785 0.671 0.35 0.00 H new ATOM 0 HB3 TYR A 137 20.879 1.528 -0.488 0.35 0.00 H new ATOM 0 HD1 TYR A 137 18.106 3.200 1.315 0.20 0.00 H new ATOM 0 HD2 TYR A 137 19.136 0.465 -1.786 0.95 0.00 H new ATOM 0 HE1 TYR A 137 15.793 3.260 0.496 0.05 0.00 H new ATOM 0 HE2 TYR A 137 16.823 0.524 -2.607 0.28 0.00 H new ATOM 0 HH TYR A 137 14.792 1.347 -2.352 0.81 0.00 H new ATOM 2157 N GLU A 138 20.861 -1.265 0.271 0.06 0.00 N ATOM 2158 CA GLU A 138 20.566 -2.608 -0.217 0.34 0.00 C ATOM 2159 C GLU A 138 20.437 -3.600 0.935 0.07 0.00 C ATOM 2160 O GLU A 138 19.558 -4.463 0.924 1.00 0.00 O ATOM 2161 CB GLU A 138 21.652 -3.071 -1.193 1.00 0.00 C ATOM 2162 CG GLU A 138 23.047 -3.098 -0.590 0.33 0.00 C ATOM 2163 CD GLU A 138 24.098 -3.577 -1.573 0.95 0.00 C ATOM 2164 OE1 GLU A 138 24.324 -4.802 -1.651 0.12 0.00 O ATOM 2165 OE2 GLU A 138 24.695 -2.725 -2.265 0.23 0.00 O ATOM 0 H GLU A 138 21.761 -0.894 -0.032 0.06 0.00 H new ATOM 0 HA GLU A 138 19.610 -2.571 -0.740 0.34 0.00 H new ATOM 0 HB2 GLU A 138 21.402 -4.069 -1.553 1.00 0.00 H new ATOM 0 HB3 GLU A 138 21.654 -2.411 -2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 138 23.308 -2.098 -0.243 0.33 0.00 H new ATOM 0 HG3 GLU A 138 23.049 -3.749 0.284 0.33 0.00 H new ATOM 2172 N LYS A 139 21.311 -3.472 1.930 0.44 0.00 N ATOM 2173 CA LYS A 139 21.287 -4.362 3.086 0.62 0.00 C ATOM 2174 C LYS A 139 19.996 -4.181 3.883 0.11 0.00 C ATOM 2175 O LYS A 139 19.494 -5.128 4.487 1.00 0.00 O ATOM 2176 CB LYS A 139 22.497 -4.103 3.987 0.79 0.00 C ATOM 2177 CG LYS A 139 23.823 -4.518 3.366 0.07 0.00 C ATOM 2178 CD LYS A 139 23.911 -6.025 3.188 1.00 0.00 C ATOM 2179 CE LYS A 139 25.239 -6.437 2.570 0.54 0.00 C ATOM 2180 NZ LYS A 139 26.398 -5.995 3.394 0.12 0.00 N ATOM 0 H LYS A 139 22.043 -2.762 1.959 0.44 0.00 H new ATOM 0 HA LYS A 139 21.330 -5.389 2.722 0.62 0.00 H new ATOM 0 HB2 LYS A 139 22.537 -3.041 4.231 0.79 0.00 H new ATOM 0 HB3 LYS A 139 22.362 -4.641 4.926 0.79 0.00 H new ATOM 0 HG2 LYS A 139 23.941 -4.029 2.399 0.07 0.00 H new ATOM 0 HG3 LYS A 139 24.643 -4.177 3.997 0.07 0.00 H new ATOM 0 HD2 LYS A 139 23.791 -6.514 4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 139 23.092 -6.366 2.554 1.00 0.00 H new ATOM 0 HE2 LYS A 139 25.266 -7.521 2.458 0.54 0.00 H new ATOM 0 HE3 LYS A 139 25.321 -6.011 1.570 0.54 0.00 H new ATOM 0 HZ1 LYS A 139 27.257 -6.488 3.077 0.12 0.00 H new ATOM 0 HZ2 LYS A 139 26.528 -4.969 3.287 0.12 0.00 H new ATOM 0 HZ3 LYS A 139 26.219 -6.219 4.394 0.12 0.00 H new ATOM 2194 N ARG A 140 19.468 -2.962 3.876 0.68 0.00 N ATOM 2195 CA ARG A 140 18.236 -2.658 4.597 1.00 0.00 C ATOM 2196 C ARG A 140 17.039 -3.328 3.931 0.12 0.00 C ATOM 2197 O ARG A 140 16.122 -3.797 4.606 0.39 0.00 O ATOM 2198 CB ARG A 140 18.021 -1.144 4.663 0.18 0.00 C ATOM 2199 CG ARG A 140 16.771 -0.734 5.428 0.10 0.00 C ATOM 2200 CD ARG A 140 16.869 -1.097 6.901 0.08 0.00 C ATOM 2201 NE ARG A 140 15.662 -0.729 7.636 1.00 0.00 N ATOM 2202 CZ ARG A 140 15.583 -0.705 8.963 0.56 0.00 C ATOM 2203 NH1 ARG A 140 16.638 -1.025 9.701 0.12 0.00 N ATOM 2204 NH2 ARG A 140 14.448 -0.357 9.554 0.52 0.00 N ATOM 0 H ARG A 140 19.873 -2.168 3.380 0.68 0.00 H new ATOM 0 HA ARG A 140 18.329 -3.048 5.611 1.00 0.00 H new ATOM 0 HB2 ARG A 140 18.890 -0.683 5.132 0.18 0.00 H new ATOM 0 HB3 ARG A 140 17.960 -0.750 3.648 0.18 0.00 H new ATOM 0 HG2 ARG A 140 16.619 0.341 5.327 0.10 0.00 H new ATOM 0 HG3 ARG A 140 15.900 -1.222 4.990 0.10 0.00 H new ATOM 0 HD2 ARG A 140 17.041 -2.169 7.000 0.08 0.00 H new ATOM 0 HD3 ARG A 140 17.730 -0.594 7.342 0.08 0.00 H new ATOM 0 HE ARG A 140 14.832 -0.476 7.100 1.00 0.00 H new ATOM 0 HH11 ARG A 140 17.514 -1.291 9.251 0.12 0.00 H new ATOM 0 HH12 ARG A 140 16.573 -1.005 10.719 0.12 0.00 H new ATOM 0 HH21 ARG A 140 13.635 -0.108 8.991 0.52 0.00 H new ATOM 0 HH22 ARG A 140 14.388 -0.339 10.572 0.52 0.00 H new ATOM 2218 N VAL A 141 17.055 -3.370 2.603 1.00 0.00 N ATOM 2219 CA VAL A 141 15.974 -3.986 1.842 0.08 0.00 C ATOM 2220 C VAL A 141 15.891 -5.480 2.127 0.07 0.00 C ATOM 2221 O VAL A 141 14.806 -6.028 2.308 1.00 0.00 O ATOM 2222 CB VAL A 141 16.159 -3.772 0.326 1.00 0.00 C ATOM 2223 CG1 VAL A 141 15.048 -4.458 -0.454 0.18 0.00 C ATOM 2224 CG2 VAL A 141 16.209 -2.286 -0.002 0.31 0.00 C ATOM 0 H VAL A 141 17.806 -2.984 2.031 1.00 0.00 H new ATOM 0 HA VAL A 141 15.048 -3.504 2.157 0.08 0.00 H new ATOM 0 HB VAL A 141 17.108 -4.220 0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 141 15.198 -4.294 -1.521 0.18 0.00 H new ATOM 0 HG12 VAL A 141 15.064 -5.528 -0.245 0.18 0.00 H new ATOM 0 HG13 VAL A 141 14.085 -4.044 -0.155 0.18 0.00 H new ATOM 0 HG21 VAL A 141 16.340 -2.155 -1.076 0.31 0.00 H new ATOM 0 HG22 VAL A 141 15.278 -1.813 0.311 0.31 0.00 H new ATOM 0 HG23 VAL A 141 17.045 -1.825 0.524 0.31 0.00 H new ATOM 2234 N SER A 142 17.046 -6.135 2.165 0.35 0.00 N ATOM 2235 CA SER A 142 17.105 -7.569 2.427 0.51 0.00 C ATOM 2236 C SER A 142 16.564 -7.892 3.816 0.21 0.00 C ATOM 2237 O SER A 142 16.015 -8.969 4.042 0.86 0.00 O ATOM 2238 CB SER A 142 18.544 -8.073 2.298 0.39 0.00 C ATOM 2239 OG SER A 142 18.618 -9.466 2.545 0.10 0.00 O ATOM 0 H SER A 142 17.955 -5.696 2.018 0.35 0.00 H new ATOM 0 HA SER A 142 16.482 -8.074 1.688 0.51 0.00 H new ATOM 0 HB2 SER A 142 18.921 -7.857 1.298 0.39 0.00 H new ATOM 0 HB3 SER A 142 19.184 -7.541 3.002 0.39 0.00 H new ATOM 0 HG SER A 142 19.547 -9.765 2.455 0.10 0.00 H new ATOM 2245 N ALA A 143 16.725 -6.951 4.742 0.09 0.00 N ATOM 2246 CA ALA A 143 16.257 -7.136 6.111 0.06 0.00 C ATOM 2247 C ALA A 143 14.732 -7.136 6.185 0.64 0.00 C ATOM 2248 O ALA A 143 14.128 -8.088 6.679 1.00 0.00 O ATOM 2249 CB ALA A 143 16.832 -6.055 7.013 0.21 0.00 C ATOM 0 H ALA A 143 17.176 -6.053 4.569 0.09 0.00 H new ATOM 0 HA ALA A 143 16.605 -8.109 6.456 0.06 0.00 H new ATOM 0 HB1 ALA A 143 16.475 -6.204 8.032 0.21 0.00 H new ATOM 0 HB2 ALA A 143 17.921 -6.109 6.998 0.21 0.00 H new ATOM 0 HB3 ALA A 143 16.513 -5.076 6.656 0.21 0.00 H new ATOM 2255 N ILE A 144 14.117 -6.064 5.694 0.82 0.00 N ATOM 2256 CA ILE A 144 12.662 -5.943 5.712 0.08 0.00 C ATOM 2257 C ILE A 144 12.000 -7.054 4.902 0.06 0.00 C ATOM 2258 O ILE A 144 10.908 -7.511 5.237 0.10 0.00 O ATOM 2259 CB ILE A 144 12.202 -4.578 5.163 1.00 0.00 C ATOM 2260 CG1 ILE A 144 12.710 -4.380 3.732 1.00 0.00 C ATOM 2261 CG2 ILE A 144 12.687 -3.455 6.068 0.78 0.00 C ATOM 2262 CD1 ILE A 144 12.176 -3.131 3.062 0.74 0.00 C ATOM 0 H ILE A 144 14.602 -5.268 5.280 0.82 0.00 H new ATOM 0 HA ILE A 144 12.356 -6.029 6.754 0.08 0.00 H new ATOM 0 HB ILE A 144 11.112 -4.557 5.144 1.00 0.00 H new ATOM 0 HG12 ILE A 144 13.799 -4.337 3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 144 12.433 -5.249 3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 144 12.355 -2.497 5.668 0.78 0.00 H new ATOM 0 HG22 ILE A 144 12.278 -3.592 7.069 0.78 0.00 H new ATOM 0 HG23 ILE A 144 13.776 -3.471 6.116 0.78 0.00 H new ATOM 0 HD11 ILE A 144 12.580 -3.059 2.052 0.74 0.00 H new ATOM 0 HD12 ILE A 144 11.088 -3.180 3.015 0.74 0.00 H new ATOM 0 HD13 ILE A 144 12.475 -2.254 3.636 0.74 0.00 H new ATOM 2274 N VAL A 145 12.668 -7.484 3.837 0.36 0.00 N ATOM 2275 CA VAL A 145 12.142 -8.542 2.981 0.43 0.00 C ATOM 2276 C VAL A 145 12.260 -9.904 3.657 0.29 0.00 C ATOM 2277 O VAL A 145 11.369 -10.743 3.538 0.17 0.00 O ATOM 2278 CB VAL A 145 12.867 -8.577 1.620 0.92 0.00 C ATOM 2279 CG1 VAL A 145 12.510 -9.836 0.842 0.14 0.00 C ATOM 2280 CG2 VAL A 145 12.529 -7.337 0.809 0.67 0.00 C ATOM 0 H VAL A 145 13.574 -7.117 3.546 0.36 0.00 H new ATOM 0 HA VAL A 145 11.089 -8.321 2.810 0.43 0.00 H new ATOM 0 HB VAL A 145 13.941 -8.591 1.808 0.92 0.00 H new ATOM 0 HG11 VAL A 145 13.035 -9.835 -0.113 0.14 0.00 H new ATOM 0 HG12 VAL A 145 12.804 -10.714 1.416 0.14 0.00 H new ATOM 0 HG13 VAL A 145 11.435 -9.862 0.665 0.14 0.00 H new ATOM 0 HG21 VAL A 145 13.048 -7.376 -0.149 0.67 0.00 H new ATOM 0 HG22 VAL A 145 11.453 -7.296 0.637 0.67 0.00 H new ATOM 0 HG23 VAL A 145 12.843 -6.448 1.356 0.67 0.00 H new ATOM 2290 N GLU A 146 13.362 -10.113 4.372 0.06 0.00 N ATOM 2291 CA GLU A 146 13.593 -11.378 5.061 1.00 0.00 C ATOM 2292 C GLU A 146 12.610 -11.565 6.211 0.32 0.00 C ATOM 2293 O GLU A 146 12.120 -12.669 6.448 1.00 0.00 O ATOM 2294 CB GLU A 146 15.028 -11.444 5.587 0.09 0.00 C ATOM 2295 CG GLU A 146 15.390 -12.788 6.199 0.92 0.00 C ATOM 2296 CD GLU A 146 15.261 -13.930 5.210 0.10 0.00 C ATOM 2297 OE1 GLU A 146 16.234 -14.186 4.469 0.64 0.00 O ATOM 2298 OE2 GLU A 146 14.187 -14.568 5.175 0.28 0.00 O ATOM 0 H GLU A 146 14.106 -9.425 4.489 0.06 0.00 H new ATOM 0 HA GLU A 146 13.438 -12.183 4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 146 15.716 -11.229 4.769 0.09 0.00 H new ATOM 0 HB3 GLU A 146 15.168 -10.664 6.335 0.09 0.00 H new ATOM 0 HG2 GLU A 146 16.413 -12.749 6.573 0.92 0.00 H new ATOM 0 HG3 GLU A 146 14.744 -12.979 7.056 0.92 0.00 H new ATOM 2305 N GLN A 147 12.325 -10.478 6.924 0.38 0.00 N ATOM 2306 CA GLN A 147 11.398 -10.524 8.051 0.05 0.00 C ATOM 2307 C GLN A 147 9.975 -10.793 7.575 0.23 0.00 C ATOM 2308 O GLN A 147 9.187 -11.433 8.272 0.69 0.00 O ATOM 2309 CB GLN A 147 11.448 -9.211 8.833 0.46 0.00 C ATOM 2310 CG GLN A 147 12.798 -8.933 9.476 0.20 0.00 C ATOM 2311 CD GLN A 147 12.827 -7.617 10.234 0.20 0.00 C ATOM 2312 OE1 GLN A 147 12.048 -6.646 9.772 0.53 0.00 O flip ATOM 2313 NE2 GLN A 147 13.545 -7.476 11.225 1.00 0.00 N flip ATOM 0 H GLN A 147 12.722 -9.556 6.742 0.38 0.00 H new ATOM 0 HA GLN A 147 11.702 -11.340 8.706 0.05 0.00 H new ATOM 0 HB2 GLN A 147 11.199 -8.389 8.162 0.46 0.00 H new ATOM 0 HB3 GLN A 147 10.683 -9.231 9.609 0.46 0.00 H new ATOM 0 HG2 GLN A 147 13.045 -9.746 10.159 0.20 0.00 H new ATOM 0 HG3 GLN A 147 13.568 -8.920 8.704 0.20 0.00 H new ATOM 0 HE21 GLN A 147 14.128 -8.249 11.546 1.00 0.00 H new ATOM 0 HE22 GLN A 147 13.556 -6.587 11.724 1.00 0.00 H new ATOM 2322 N SER A 148 9.654 -10.299 6.383 1.00 0.00 N ATOM 2323 CA SER A 148 8.326 -10.484 5.808 0.33 0.00 C ATOM 2324 C SER A 148 8.360 -11.536 4.706 0.07 0.00 C ATOM 2325 O SER A 148 7.435 -11.637 3.900 0.10 0.00 O ATOM 2326 CB SER A 148 7.802 -9.159 5.252 0.08 0.00 C ATOM 2327 OG SER A 148 6.488 -9.300 4.744 0.20 0.00 O ATOM 0 H SER A 148 10.296 -9.767 5.796 1.00 0.00 H new ATOM 0 HA SER A 148 7.655 -10.828 6.595 0.33 0.00 H new ATOM 0 HB2 SER A 148 7.812 -8.403 6.037 0.08 0.00 H new ATOM 0 HB3 SER A 148 8.464 -8.806 4.461 0.08 0.00 H new ATOM 0 HG SER A 148 6.405 -10.163 4.287 0.20 0.00 H new ATOM 2333 N TRP A 149 9.432 -12.320 4.684 0.85 0.00 N ATOM 2334 CA TRP A 149 9.598 -13.365 3.680 0.49 0.00 C ATOM 2335 C TRP A 149 8.756 -14.588 4.026 0.24 0.00 C ATOM 2336 O TRP A 149 9.059 -15.314 4.972 1.00 0.00 O ATOM 2337 CB TRP A 149 11.072 -13.761 3.576 0.19 0.00 C ATOM 2338 CG TRP A 149 11.472 -14.226 2.210 0.28 0.00 C ATOM 2339 CD1 TRP A 149 11.385 -13.521 1.044 1.00 0.00 C ATOM 2340 CD2 TRP A 149 12.033 -15.499 1.870 0.12 0.00 C ATOM 2341 NE1 TRP A 149 11.853 -14.279 -0.001 1.00 0.00 N ATOM 2342 CE2 TRP A 149 12.258 -15.497 0.480 0.48 0.00 C ATOM 2343 CE3 TRP A 149 12.367 -16.638 2.606 1.00 0.00 C ATOM 2344 CZ2 TRP A 149 12.802 -16.592 -0.187 1.00 0.00 C ATOM 2345 CZ3 TRP A 149 12.906 -17.724 1.943 0.24 0.00 C ATOM 2346 CH2 TRP A 149 13.119 -17.694 0.559 0.08 0.00 C ATOM 0 H TRP A 149 10.201 -12.252 5.351 0.85 0.00 H new ATOM 0 HA TRP A 149 9.261 -12.974 2.720 0.49 0.00 H new ATOM 0 HB2 TRP A 149 11.690 -12.908 3.856 0.19 0.00 H new ATOM 0 HB3 TRP A 149 11.279 -14.553 4.296 0.19 0.00 H new ATOM 0 HD1 TRP A 149 11.004 -12.514 0.956 1.00 0.00 H new ATOM 0 HE1 TRP A 149 11.893 -13.984 -0.977 1.00 0.00 H new ATOM 0 HE3 TRP A 149 12.207 -16.669 3.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 12.968 -16.572 -1.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 13.167 -18.611 2.501 0.24 0.00 H new ATOM 0 HH2 TRP A 149 13.542 -18.559 0.070 0.08 0.00 H new