USER MOD reduce.3.24.130724 H: found=0, std=0, add=1235, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1235 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 43 ASN : amide:sc= 0 X(o=1.1,f=1.1) USER MOD Set 1.2: A 113 ASN : amide:sc= 1.1 K(o=1.1,f=-6.9!) USER MOD Set 2.1: A 99 THR OG1 : rot 72:sc= 0.908 USER MOD Set 2.2: A 103 GLN : amide:sc= 0.884 K(o=1.8,f=-1.2) USER MOD Set 3.1: A 94 ASN : amide:sc= 0.576 K(o=1.2,f=-3.7) USER MOD Set 3.2: A 96 LYS NZ :NH3+ 159:sc= 0.641 (180deg=0) USER MOD Set 4.1: A 67 LYS NZ :NH3+ -156:sc= 0.553 (180deg=0) USER MOD Set 4.2: A 84 GLN : amide:sc= 1.01 K(o=1.6,f=-5.2!) USER MOD Set 5.1: A 31 ASN : amide:sc= 0.639 K(o=1.4,f=-1.1) USER MOD Set 5.2: A 34 THR OG1 : rot 94:sc= 0.76 USER MOD Set 6.1: A 24 ASN :FLIP amide:sc= -0.109 F(o=-1.4,f=-0.19) USER MOD Set 6.2: A 26 GLN : amide:sc= -0.084 K(o=-0.19,f=-1.1) USER MOD Single : A 4 SER OG : rot 180:sc=-0.00466 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -177:sc= -0.0104 (180deg=-0.0492) USER MOD Single : A 16 LYS NZ :NH3+ -140:sc= 1.25 (180deg=0.976) USER MOD Single : A 17 CYS SG : rot -31:sc= 0.00162 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.2!) USER MOD Single : A 36 GLN : amide:sc= 0.427 K(o=0.43,f=-3.5!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 7.7e-05 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.725 K(o=0.72,f=0) USER MOD Single : A 61 TYR OH : rot 147:sc= 0.711 USER MOD Single : A 64 LYS NZ :NH3+ -144:sc= 1.17 (180deg=-0.848) USER MOD Single : A 69 THR OG1 : rot 180:sc=-0.00439 USER MOD Single : A 71 LYS NZ :NH3+ -158:sc= 0.613 (180deg=-0.765!) USER MOD Single : A 72 THR OG1 : rot 110:sc= 0.205 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -3.53! X(o=-3.5!,f=-3.4) USER MOD Single : A 78 ASN :FLIP amide:sc= -0.217 F(o=-2.5!,f=-0.22) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 146:sc= 0.359 (180deg=-0.895!) USER MOD Single : A 101 THR OG1 : rot -169:sc= 1.7 USER MOD Single : A 106 GLN : amide:sc= -0.0404 X(o=-0.04,f=-0.5) USER MOD Single : A 107 SER OG : rot -150:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HE2:sc= 0.164 K(o=0.16,f=-1.5) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ -101:sc= -0.336! (180deg=-1.31!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ -141:sc= 0.964 (180deg=-0.304) USER MOD Single : A 137 CYS SG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0617) USER MOD Single : A 139 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.31) USER MOD Single : A 144 THR OG1 : rot 86:sc= 0.24 USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 LYS NZ :NH3+ -159:sc= 0.515 (180deg=0.0723) USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N ALA A 3 -19.567 -0.594 7.904 1.00 0.37 N ATOM 31 CA ALA A 3 -18.384 -0.355 7.095 1.00 0.29 C ATOM 32 C ALA A 3 -18.273 -1.387 5.984 1.00 0.24 C ATOM 33 O ALA A 3 -18.116 -1.025 4.826 1.00 0.25 O ATOM 34 CB ALA A 3 -17.144 -0.402 7.992 1.00 0.36 C ATOM 0 HA ALA A 3 -18.461 0.628 6.631 1.00 0.29 H new ATOM 0 HB1 ALA A 3 -16.253 -0.223 7.390 1.00 0.36 H new ATOM 0 HB2 ALA A 3 -17.222 0.366 8.762 1.00 0.36 H new ATOM 0 HB3 ALA A 3 -17.073 -1.382 8.463 1.00 0.36 H new ATOM 40 N SER A 4 -18.385 -2.666 6.337 1.00 0.26 N ATOM 41 CA SER A 4 -18.216 -3.804 5.449 1.00 0.27 C ATOM 42 C SER A 4 -19.076 -3.669 4.206 1.00 0.28 C ATOM 43 O SER A 4 -18.647 -4.012 3.113 1.00 0.32 O ATOM 44 CB SER A 4 -18.599 -5.068 6.204 1.00 0.31 C ATOM 45 OG SER A 4 -19.924 -4.937 6.669 1.00 1.17 O ATOM 0 H SER A 4 -18.606 -2.945 7.293 1.00 0.26 H new ATOM 0 HA SER A 4 -17.175 -3.850 5.128 1.00 0.27 H new ATOM 0 HB2 SER A 4 -18.512 -5.937 5.552 1.00 0.31 H new ATOM 0 HB3 SER A 4 -17.920 -5.228 7.041 1.00 0.31 H new ATOM 0 HG SER A 4 -20.181 -5.748 7.156 1.00 1.17 H new ATOM 51 N ARG A 5 -20.300 -3.168 4.366 1.00 0.30 N ATOM 52 CA ARG A 5 -21.206 -2.992 3.246 1.00 0.35 C ATOM 53 C ARG A 5 -20.563 -2.072 2.227 1.00 0.37 C ATOM 54 O ARG A 5 -20.473 -2.399 1.048 1.00 0.53 O ATOM 55 CB ARG A 5 -22.542 -2.428 3.741 1.00 0.42 C ATOM 56 CG ARG A 5 -23.121 -3.273 4.880 1.00 0.81 C ATOM 57 CD ARG A 5 -24.614 -3.001 5.062 1.00 1.21 C ATOM 58 NE ARG A 5 -25.231 -4.083 5.843 1.00 1.80 N ATOM 59 CZ ARG A 5 -26.349 -4.750 5.518 1.00 2.23 C ATOM 60 NH1 ARG A 5 -26.683 -5.852 6.189 1.00 2.80 N ATOM 61 NH2 ARG A 5 -27.131 -4.327 4.523 1.00 2.65 N ATOM 0 H ARG A 5 -20.682 -2.878 5.266 1.00 0.30 H new ATOM 0 HA ARG A 5 -21.405 -3.952 2.771 1.00 0.35 H new ATOM 0 HB2 ARG A 5 -22.401 -1.403 4.083 1.00 0.42 H new ATOM 0 HB3 ARG A 5 -23.252 -2.394 2.915 1.00 0.42 H new ATOM 0 HG2 ARG A 5 -22.964 -4.331 4.669 1.00 0.81 H new ATOM 0 HG3 ARG A 5 -22.592 -3.051 5.807 1.00 0.81 H new ATOM 0 HD2 ARG A 5 -24.759 -2.047 5.569 1.00 1.21 H new ATOM 0 HD3 ARG A 5 -25.099 -2.922 4.089 1.00 1.21 H new ATOM 0 HE ARG A 5 -24.767 -4.351 6.711 1.00 1.80 H new ATOM 0 HH11 ARG A 5 -26.089 -6.187 6.948 1.00 2.80 H new ATOM 0 HH12 ARG A 5 -27.532 -6.361 5.944 1.00 2.80 H new ATOM 0 HH21 ARG A 5 -26.881 -3.488 4.000 1.00 2.65 H new ATOM 0 HH22 ARG A 5 -27.978 -4.843 4.286 1.00 2.65 H new ATOM 75 N ARG A 6 -20.100 -0.913 2.686 1.00 0.28 N ATOM 76 CA ARG A 6 -19.473 0.056 1.799 1.00 0.31 C ATOM 77 C ARG A 6 -18.225 -0.579 1.203 1.00 0.29 C ATOM 78 O ARG A 6 -18.046 -0.560 0.000 1.00 0.45 O ATOM 79 CB ARG A 6 -19.189 1.361 2.560 1.00 0.35 C ATOM 80 CG ARG A 6 -20.502 2.004 3.039 1.00 0.49 C ATOM 81 CD ARG A 6 -20.284 3.073 4.116 1.00 1.15 C ATOM 82 NE ARG A 6 -19.536 4.248 3.639 1.00 1.47 N ATOM 83 CZ ARG A 6 -20.055 5.326 3.045 1.00 1.57 C ATOM 84 NH1 ARG A 6 -19.282 6.397 2.866 1.00 2.28 N ATOM 85 NH2 ARG A 6 -21.329 5.334 2.647 1.00 1.96 N ATOM 0 H ARG A 6 -20.148 -0.625 3.663 1.00 0.28 H new ATOM 0 HA ARG A 6 -20.135 0.326 0.977 1.00 0.31 H new ATOM 0 HB2 ARG A 6 -18.544 1.157 3.415 1.00 0.35 H new ATOM 0 HB3 ARG A 6 -18.652 2.056 1.914 1.00 0.35 H new ATOM 0 HG2 ARG A 6 -21.013 2.453 2.187 1.00 0.49 H new ATOM 0 HG3 ARG A 6 -21.159 1.228 3.432 1.00 0.49 H new ATOM 0 HD2 ARG A 6 -21.253 3.399 4.494 1.00 1.15 H new ATOM 0 HD3 ARG A 6 -19.748 2.628 4.954 1.00 1.15 H new ATOM 0 HE ARG A 6 -18.525 4.238 3.775 1.00 1.47 H new ATOM 0 HH11 ARG A 6 -18.312 6.384 3.181 1.00 2.28 H new ATOM 0 HH12 ARG A 6 -19.661 7.229 2.414 1.00 2.28 H new ATOM 0 HH21 ARG A 6 -21.915 4.512 2.796 1.00 1.96 H new ATOM 0 HH22 ARG A 6 -21.717 6.162 2.194 1.00 1.96 H new ATOM 99 N LEU A 7 -17.400 -1.215 2.020 1.00 0.23 N ATOM 100 CA LEU A 7 -16.145 -1.819 1.611 1.00 0.23 C ATOM 101 C LEU A 7 -16.376 -2.846 0.506 1.00 0.22 C ATOM 102 O LEU A 7 -15.559 -2.953 -0.397 1.00 0.25 O ATOM 103 CB LEU A 7 -15.455 -2.436 2.836 1.00 0.22 C ATOM 104 CG LEU A 7 -15.015 -1.362 3.847 1.00 0.25 C ATOM 105 CD1 LEU A 7 -14.701 -2.001 5.201 1.00 0.31 C ATOM 106 CD2 LEU A 7 -13.762 -0.619 3.391 1.00 0.34 C ATOM 0 H LEU A 7 -17.593 -1.328 3.015 1.00 0.23 H new ATOM 0 HA LEU A 7 -15.487 -1.054 1.198 1.00 0.23 H new ATOM 0 HB2 LEU A 7 -16.135 -3.136 3.322 1.00 0.22 H new ATOM 0 HB3 LEU A 7 -14.586 -3.009 2.513 1.00 0.22 H new ATOM 0 HG LEU A 7 -15.844 -0.658 3.926 1.00 0.25 H new ATOM 0 HD11 LEU A 7 -14.391 -1.228 5.905 1.00 0.31 H new ATOM 0 HD12 LEU A 7 -15.591 -2.503 5.581 1.00 0.31 H new ATOM 0 HD13 LEU A 7 -13.897 -2.727 5.083 1.00 0.31 H new ATOM 0 HD21 LEU A 7 -13.491 0.128 4.137 1.00 0.34 H new ATOM 0 HD22 LEU A 7 -12.942 -1.327 3.272 1.00 0.34 H new ATOM 0 HD23 LEU A 7 -13.957 -0.127 2.438 1.00 0.34 H new ATOM 118 N MET A 8 -17.483 -3.586 0.544 1.00 0.23 N ATOM 119 CA MET A 8 -17.823 -4.557 -0.482 1.00 0.27 C ATOM 120 C MET A 8 -18.088 -3.856 -1.804 1.00 0.26 C ATOM 121 O MET A 8 -17.502 -4.239 -2.815 1.00 0.26 O ATOM 122 CB MET A 8 -19.041 -5.373 -0.033 1.00 0.32 C ATOM 123 CG MET A 8 -19.330 -6.525 -0.997 1.00 0.50 C ATOM 124 SD MET A 8 -20.798 -7.485 -0.545 1.00 1.48 S ATOM 125 CE MET A 8 -20.703 -8.772 -1.817 1.00 1.81 C ATOM 0 H MET A 8 -18.171 -3.524 1.295 1.00 0.23 H new ATOM 0 HA MET A 8 -16.985 -5.238 -0.629 1.00 0.27 H new ATOM 0 HB2 MET A 8 -18.866 -5.769 0.967 1.00 0.32 H new ATOM 0 HB3 MET A 8 -19.913 -4.722 0.030 1.00 0.32 H new ATOM 0 HG2 MET A 8 -19.462 -6.124 -2.002 1.00 0.50 H new ATOM 0 HG3 MET A 8 -18.466 -7.189 -1.029 1.00 0.50 H new ATOM 0 HE1 MET A 8 -21.536 -9.465 -1.697 1.00 1.81 H new ATOM 0 HE2 MET A 8 -20.753 -8.312 -2.804 1.00 1.81 H new ATOM 0 HE3 MET A 8 -19.763 -9.314 -1.716 1.00 1.81 H new ATOM 135 N LYS A 9 -18.969 -2.846 -1.826 1.00 0.26 N ATOM 136 CA LYS A 9 -19.239 -2.206 -3.120 1.00 0.29 C ATOM 137 C LYS A 9 -17.964 -1.561 -3.651 1.00 0.29 C ATOM 138 O LYS A 9 -17.645 -1.708 -4.821 1.00 0.35 O ATOM 139 CB LYS A 9 -20.408 -1.201 -3.151 1.00 0.45 C ATOM 140 CG LYS A 9 -20.983 -0.688 -1.837 1.00 1.53 C ATOM 141 CD LYS A 9 -22.058 -1.613 -1.248 1.00 1.82 C ATOM 142 CE LYS A 9 -23.311 -1.786 -2.118 1.00 2.49 C ATOM 143 NZ LYS A 9 -23.877 -0.499 -2.581 1.00 3.05 N ATOM 0 H LYS A 9 -19.476 -2.474 -1.023 1.00 0.26 H new ATOM 0 HA LYS A 9 -19.571 -3.016 -3.770 1.00 0.29 H new ATOM 0 HB2 LYS A 9 -20.081 -0.335 -3.726 1.00 0.45 H new ATOM 0 HB3 LYS A 9 -21.223 -1.663 -3.707 1.00 0.45 H new ATOM 0 HG2 LYS A 9 -20.175 -0.573 -1.114 1.00 1.53 H new ATOM 0 HG3 LYS A 9 -21.411 0.302 -1.996 1.00 1.53 H new ATOM 0 HD2 LYS A 9 -21.616 -2.594 -1.074 1.00 1.82 H new ATOM 0 HD3 LYS A 9 -22.360 -1.222 -0.276 1.00 1.82 H new ATOM 0 HE2 LYS A 9 -23.063 -2.400 -2.984 1.00 2.49 H new ATOM 0 HE3 LYS A 9 -24.069 -2.326 -1.550 1.00 2.49 H new ATOM 0 HZ1 LYS A 9 -24.748 -0.677 -3.120 1.00 3.05 H new ATOM 0 HZ2 LYS A 9 -24.095 0.100 -1.759 1.00 3.05 H new ATOM 0 HZ3 LYS A 9 -23.186 -0.015 -3.189 1.00 3.05 H new ATOM 157 N GLU A 10 -17.241 -0.862 -2.785 1.00 0.27 N ATOM 158 CA GLU A 10 -16.018 -0.143 -3.097 1.00 0.27 C ATOM 159 C GLU A 10 -14.966 -1.114 -3.630 1.00 0.25 C ATOM 160 O GLU A 10 -14.207 -0.764 -4.521 1.00 0.37 O ATOM 161 CB GLU A 10 -15.513 0.569 -1.836 1.00 0.31 C ATOM 162 CG GLU A 10 -16.510 1.611 -1.296 1.00 0.55 C ATOM 163 CD GLU A 10 -16.455 2.975 -1.970 1.00 1.12 C ATOM 164 OE1 GLU A 10 -15.348 3.427 -2.331 1.00 1.68 O ATOM 165 OE2 GLU A 10 -17.506 3.656 -1.999 1.00 1.94 O ATOM 0 H GLU A 10 -17.505 -0.779 -1.803 1.00 0.27 H new ATOM 0 HA GLU A 10 -16.215 0.603 -3.867 1.00 0.27 H new ATOM 0 HB2 GLU A 10 -15.314 -0.172 -1.062 1.00 0.31 H new ATOM 0 HB3 GLU A 10 -14.566 1.061 -2.057 1.00 0.31 H new ATOM 0 HG2 GLU A 10 -17.519 1.213 -1.401 1.00 0.55 H new ATOM 0 HG3 GLU A 10 -16.329 1.744 -0.229 1.00 0.55 H new ATOM 172 N LEU A 11 -14.897 -2.338 -3.106 1.00 0.22 N ATOM 173 CA LEU A 11 -13.946 -3.332 -3.576 1.00 0.22 C ATOM 174 C LEU A 11 -14.293 -3.768 -4.982 1.00 0.23 C ATOM 175 O LEU A 11 -13.414 -3.850 -5.839 1.00 0.22 O ATOM 176 CB LEU A 11 -13.939 -4.551 -2.654 1.00 0.25 C ATOM 177 CG LEU A 11 -12.799 -5.503 -3.041 1.00 0.25 C ATOM 178 CD1 LEU A 11 -12.273 -6.133 -1.762 1.00 0.36 C ATOM 179 CD2 LEU A 11 -13.241 -6.625 -3.987 1.00 0.29 C ATOM 0 H LEU A 11 -15.498 -2.662 -2.348 1.00 0.22 H new ATOM 0 HA LEU A 11 -12.955 -2.879 -3.572 1.00 0.22 H new ATOM 0 HB2 LEU A 11 -13.820 -4.232 -1.619 1.00 0.25 H new ATOM 0 HB3 LEU A 11 -14.895 -5.071 -2.720 1.00 0.25 H new ATOM 0 HG LEU A 11 -12.042 -4.922 -3.568 1.00 0.25 H new ATOM 0 HD11 LEU A 11 -11.459 -6.817 -2.002 1.00 0.36 H new ATOM 0 HD12 LEU A 11 -11.906 -5.352 -1.096 1.00 0.36 H new ATOM 0 HD13 LEU A 11 -13.076 -6.682 -1.270 1.00 0.36 H new ATOM 0 HD21 LEU A 11 -12.387 -7.261 -4.221 1.00 0.29 H new ATOM 0 HD22 LEU A 11 -14.017 -7.221 -3.507 1.00 0.29 H new ATOM 0 HD23 LEU A 11 -13.633 -6.192 -4.907 1.00 0.29 H new ATOM 191 N GLU A 12 -15.560 -4.110 -5.210 1.00 0.26 N ATOM 192 CA GLU A 12 -15.952 -4.567 -6.535 1.00 0.32 C ATOM 193 C GLU A 12 -15.670 -3.465 -7.557 1.00 0.30 C ATOM 194 O GLU A 12 -15.079 -3.728 -8.602 1.00 0.31 O ATOM 195 CB GLU A 12 -17.409 -5.040 -6.552 1.00 0.44 C ATOM 196 CG GLU A 12 -17.751 -5.499 -7.975 1.00 0.53 C ATOM 197 CD GLU A 12 -18.970 -6.414 -8.066 1.00 0.87 C ATOM 198 OE1 GLU A 12 -19.830 -6.363 -7.162 1.00 1.22 O ATOM 199 OE2 GLU A 12 -19.003 -7.162 -9.074 1.00 1.72 O ATOM 0 H GLU A 12 -16.308 -4.080 -4.518 1.00 0.26 H new ATOM 0 HA GLU A 12 -15.356 -5.437 -6.812 1.00 0.32 H new ATOM 0 HB2 GLU A 12 -17.551 -5.858 -5.845 1.00 0.44 H new ATOM 0 HB3 GLU A 12 -18.074 -4.233 -6.244 1.00 0.44 H new ATOM 0 HG2 GLU A 12 -17.924 -4.620 -8.596 1.00 0.53 H new ATOM 0 HG3 GLU A 12 -16.889 -6.019 -8.393 1.00 0.53 H new ATOM 206 N GLU A 13 -16.046 -2.234 -7.217 1.00 0.29 N ATOM 207 CA GLU A 13 -15.778 -1.015 -7.962 1.00 0.28 C ATOM 208 C GLU A 13 -14.281 -0.869 -8.234 1.00 0.24 C ATOM 209 O GLU A 13 -13.896 -0.573 -9.360 1.00 0.27 O ATOM 210 CB GLU A 13 -16.335 0.181 -7.173 1.00 0.35 C ATOM 211 CG GLU A 13 -17.862 0.281 -7.306 1.00 0.86 C ATOM 212 CD GLU A 13 -18.276 1.410 -8.248 1.00 1.59 C ATOM 213 OE1 GLU A 13 -18.496 2.530 -7.735 1.00 2.41 O ATOM 214 OE2 GLU A 13 -18.372 1.132 -9.463 1.00 2.59 O ATOM 0 H GLU A 13 -16.576 -2.055 -6.364 1.00 0.29 H new ATOM 0 HA GLU A 13 -16.273 -1.055 -8.932 1.00 0.28 H new ATOM 0 HB2 GLU A 13 -16.066 0.082 -6.121 1.00 0.35 H new ATOM 0 HB3 GLU A 13 -15.876 1.102 -7.534 1.00 0.35 H new ATOM 0 HG2 GLU A 13 -18.257 -0.665 -7.676 1.00 0.86 H new ATOM 0 HG3 GLU A 13 -18.302 0.448 -6.323 1.00 0.86 H new ATOM 221 N ILE A 14 -13.423 -1.099 -7.235 1.00 0.22 N ATOM 222 CA ILE A 14 -11.976 -1.010 -7.386 1.00 0.20 C ATOM 223 C ILE A 14 -11.524 -1.972 -8.483 1.00 0.21 C ATOM 224 O ILE A 14 -10.898 -1.552 -9.458 1.00 0.22 O ATOM 225 CB ILE A 14 -11.256 -1.241 -6.033 1.00 0.20 C ATOM 226 CG1 ILE A 14 -11.290 0.065 -5.220 1.00 0.25 C ATOM 227 CG2 ILE A 14 -9.776 -1.570 -6.271 1.00 0.25 C ATOM 228 CD1 ILE A 14 -10.874 -0.150 -3.761 1.00 0.25 C ATOM 0 H ILE A 14 -13.720 -1.354 -6.293 1.00 0.22 H new ATOM 0 HA ILE A 14 -11.697 -0.003 -7.696 1.00 0.20 H new ATOM 0 HB ILE A 14 -11.754 -2.058 -5.512 1.00 0.20 H new ATOM 0 HG12 ILE A 14 -10.626 0.796 -5.681 1.00 0.25 H new ATOM 0 HG13 ILE A 14 -12.296 0.484 -5.251 1.00 0.25 H new ATOM 0 HG21 ILE A 14 -9.280 -1.730 -5.314 1.00 0.25 H new ATOM 0 HG22 ILE A 14 -9.697 -2.473 -6.876 1.00 0.25 H new ATOM 0 HG23 ILE A 14 -9.298 -0.741 -6.793 1.00 0.25 H new ATOM 0 HD11 ILE A 14 -10.914 0.800 -3.228 1.00 0.25 H new ATOM 0 HD12 ILE A 14 -11.554 -0.860 -3.290 1.00 0.25 H new ATOM 0 HD13 ILE A 14 -9.858 -0.543 -3.727 1.00 0.25 H new ATOM 240 N ARG A 15 -11.820 -3.268 -8.341 1.00 0.23 N ATOM 241 CA ARG A 15 -11.386 -4.257 -9.325 1.00 0.28 C ATOM 242 C ARG A 15 -11.855 -3.846 -10.716 1.00 0.29 C ATOM 243 O ARG A 15 -11.065 -3.859 -11.661 1.00 0.34 O ATOM 244 CB ARG A 15 -11.918 -5.654 -8.986 1.00 0.38 C ATOM 245 CG ARG A 15 -10.971 -6.379 -8.029 1.00 0.84 C ATOM 246 CD ARG A 15 -11.494 -7.786 -7.736 1.00 0.78 C ATOM 247 NE ARG A 15 -11.383 -8.679 -8.901 1.00 0.93 N ATOM 248 CZ ARG A 15 -11.842 -9.937 -8.939 1.00 1.09 C ATOM 249 NH1 ARG A 15 -11.734 -10.659 -10.055 1.00 1.70 N ATOM 250 NH2 ARG A 15 -12.412 -10.471 -7.858 1.00 1.46 N ATOM 0 H ARG A 15 -12.354 -3.651 -7.561 1.00 0.23 H new ATOM 0 HA ARG A 15 -10.297 -4.297 -9.305 1.00 0.28 H new ATOM 0 HB2 ARG A 15 -12.906 -5.572 -8.534 1.00 0.38 H new ATOM 0 HB3 ARG A 15 -12.033 -6.236 -9.901 1.00 0.38 H new ATOM 0 HG2 ARG A 15 -9.974 -6.437 -8.466 1.00 0.84 H new ATOM 0 HG3 ARG A 15 -10.879 -5.816 -7.100 1.00 0.84 H new ATOM 0 HD2 ARG A 15 -10.937 -8.211 -6.901 1.00 0.78 H new ATOM 0 HD3 ARG A 15 -12.537 -7.726 -7.426 1.00 0.78 H new ATOM 0 HE ARG A 15 -10.925 -8.315 -9.737 1.00 0.93 H new ATOM 0 HH11 ARG A 15 -11.300 -10.254 -10.885 1.00 1.70 H new ATOM 0 HH12 ARG A 15 -12.085 -11.616 -10.079 1.00 1.70 H new ATOM 0 HH21 ARG A 15 -12.498 -9.922 -7.003 1.00 1.46 H new ATOM 0 HH22 ARG A 15 -12.762 -11.429 -7.886 1.00 1.46 H new ATOM 264 N LYS A 16 -13.141 -3.498 -10.827 1.00 0.27 N ATOM 265 CA LYS A 16 -13.773 -3.088 -12.076 1.00 0.31 C ATOM 266 C LYS A 16 -13.038 -1.899 -12.687 1.00 0.32 C ATOM 267 O LYS A 16 -12.893 -1.832 -13.904 1.00 0.38 O ATOM 268 CB LYS A 16 -15.251 -2.714 -11.851 1.00 0.37 C ATOM 269 CG LYS A 16 -16.240 -3.764 -12.371 1.00 0.69 C ATOM 270 CD LYS A 16 -16.208 -5.080 -11.591 1.00 0.90 C ATOM 271 CE LYS A 16 -17.383 -5.943 -12.067 1.00 1.15 C ATOM 272 NZ LYS A 16 -17.515 -7.189 -11.285 1.00 2.04 N ATOM 0 H LYS A 16 -13.781 -3.495 -10.033 1.00 0.27 H new ATOM 0 HA LYS A 16 -13.723 -3.933 -12.762 1.00 0.31 H new ATOM 0 HB2 LYS A 16 -15.420 -2.565 -10.785 1.00 0.37 H new ATOM 0 HB3 LYS A 16 -15.454 -1.762 -12.342 1.00 0.37 H new ATOM 0 HG2 LYS A 16 -17.248 -3.352 -12.330 1.00 0.69 H new ATOM 0 HG3 LYS A 16 -16.022 -3.968 -13.419 1.00 0.69 H new ATOM 0 HD2 LYS A 16 -15.263 -5.598 -11.757 1.00 0.90 H new ATOM 0 HD3 LYS A 16 -16.284 -4.890 -10.520 1.00 0.90 H new ATOM 0 HE2 LYS A 16 -18.307 -5.369 -11.991 1.00 1.15 H new ATOM 0 HE3 LYS A 16 -17.247 -6.190 -13.120 1.00 1.15 H new ATOM 0 HZ1 LYS A 16 -17.759 -7.974 -11.922 1.00 2.04 H new ATOM 0 HZ2 LYS A 16 -16.614 -7.397 -10.808 1.00 2.04 H new ATOM 0 HZ3 LYS A 16 -18.265 -7.075 -10.573 1.00 2.04 H new ATOM 286 N CYS A 17 -12.597 -0.956 -11.855 1.00 0.31 N ATOM 287 CA CYS A 17 -11.983 0.284 -12.296 1.00 0.35 C ATOM 288 C CYS A 17 -10.689 -0.018 -13.047 1.00 0.32 C ATOM 289 O CYS A 17 -10.302 0.736 -13.936 1.00 0.43 O ATOM 290 CB CYS A 17 -11.715 1.180 -11.079 1.00 0.38 C ATOM 291 SG CYS A 17 -11.253 2.849 -11.619 1.00 0.76 S ATOM 0 H CYS A 17 -12.660 -1.039 -10.840 1.00 0.31 H new ATOM 0 HA CYS A 17 -12.656 0.809 -12.974 1.00 0.35 H new ATOM 0 HB2 CYS A 17 -12.604 1.227 -10.450 1.00 0.38 H new ATOM 0 HB3 CYS A 17 -10.917 0.752 -10.472 1.00 0.38 H new ATOM 0 HG CYS A 17 -10.628 2.779 -12.757 1.00 0.76 H new ATOM 297 N GLY A 18 -10.015 -1.111 -12.688 1.00 0.26 N ATOM 298 CA GLY A 18 -8.889 -1.612 -13.449 1.00 0.27 C ATOM 299 C GLY A 18 -7.831 -2.116 -12.492 1.00 0.23 C ATOM 300 O GLY A 18 -6.911 -1.376 -12.156 1.00 0.26 O ATOM 0 H GLY A 18 -10.240 -1.667 -11.863 1.00 0.26 H new ATOM 0 HA2 GLY A 18 -9.210 -2.416 -14.112 1.00 0.27 H new ATOM 0 HA3 GLY A 18 -8.480 -0.823 -14.080 1.00 0.27 H new ATOM 304 N MET A 19 -7.963 -3.369 -12.052 1.00 0.26 N ATOM 305 CA MET A 19 -7.002 -4.013 -11.166 1.00 0.28 C ATOM 306 C MET A 19 -5.662 -4.211 -11.852 1.00 0.30 C ATOM 307 O MET A 19 -5.369 -5.256 -12.432 1.00 0.33 O ATOM 308 CB MET A 19 -7.548 -5.321 -10.608 1.00 0.36 C ATOM 309 CG MET A 19 -8.168 -6.269 -11.640 1.00 0.73 C ATOM 310 SD MET A 19 -8.670 -7.869 -10.951 1.00 1.19 S ATOM 311 CE MET A 19 -8.882 -8.768 -12.508 1.00 1.77 C ATOM 0 H MET A 19 -8.749 -3.968 -12.305 1.00 0.26 H new ATOM 0 HA MET A 19 -6.837 -3.346 -10.320 1.00 0.28 H new ATOM 0 HB2 MET A 19 -6.739 -5.845 -10.099 1.00 0.36 H new ATOM 0 HB3 MET A 19 -8.301 -5.089 -9.855 1.00 0.36 H new ATOM 0 HG2 MET A 19 -9.038 -5.787 -12.087 1.00 0.73 H new ATOM 0 HG3 MET A 19 -7.450 -6.438 -12.442 1.00 0.73 H new ATOM 0 HE1 MET A 19 -9.195 -9.791 -12.298 1.00 1.77 H new ATOM 0 HE2 MET A 19 -9.642 -8.273 -13.113 1.00 1.77 H new ATOM 0 HE3 MET A 19 -7.937 -8.782 -13.052 1.00 1.77 H new ATOM 321 N LYS A 20 -4.881 -3.142 -11.848 1.00 0.31 N ATOM 322 CA LYS A 20 -3.621 -3.053 -12.540 1.00 0.31 C ATOM 323 C LYS A 20 -2.500 -2.930 -11.524 1.00 0.29 C ATOM 324 O LYS A 20 -1.885 -3.912 -11.124 1.00 0.41 O ATOM 325 CB LYS A 20 -3.785 -1.922 -13.552 1.00 0.38 C ATOM 326 CG LYS A 20 -2.914 -2.146 -14.772 1.00 1.05 C ATOM 327 CD LYS A 20 -3.539 -1.294 -15.869 1.00 1.53 C ATOM 328 CE LYS A 20 -2.523 -1.069 -16.992 1.00 1.59 C ATOM 329 NZ LYS A 20 -3.077 -0.232 -18.078 1.00 2.38 N ATOM 0 H LYS A 20 -5.122 -2.289 -11.344 1.00 0.31 H new ATOM 0 HA LYS A 20 -3.337 -3.939 -13.108 1.00 0.31 H new ATOM 0 HB2 LYS A 20 -4.829 -1.851 -13.856 1.00 0.38 H new ATOM 0 HB3 LYS A 20 -3.524 -0.972 -13.085 1.00 0.38 H new ATOM 0 HG2 LYS A 20 -1.883 -1.848 -14.580 1.00 1.05 H new ATOM 0 HG3 LYS A 20 -2.894 -3.199 -15.054 1.00 1.05 H new ATOM 0 HD2 LYS A 20 -4.428 -1.787 -16.263 1.00 1.53 H new ATOM 0 HD3 LYS A 20 -3.861 -0.336 -15.460 1.00 1.53 H new ATOM 0 HE2 LYS A 20 -1.632 -0.592 -16.585 1.00 1.59 H new ATOM 0 HE3 LYS A 20 -2.212 -2.031 -17.398 1.00 1.59 H new ATOM 0 HZ1 LYS A 20 -2.358 -0.103 -18.818 1.00 2.38 H new ATOM 0 HZ2 LYS A 20 -3.913 -0.699 -18.484 1.00 2.38 H new ATOM 0 HZ3 LYS A 20 -3.350 0.696 -17.696 1.00 2.38 H new ATOM 343 N ASN A 21 -2.325 -1.712 -11.019 1.00 0.26 N ATOM 344 CA ASN A 21 -1.380 -1.379 -9.970 1.00 0.23 C ATOM 345 C ASN A 21 -1.797 -1.958 -8.627 1.00 0.18 C ATOM 346 O ASN A 21 -1.055 -1.875 -7.654 1.00 0.17 O ATOM 347 CB ASN A 21 -1.297 0.137 -9.836 1.00 0.31 C ATOM 348 CG ASN A 21 -0.612 0.751 -11.051 1.00 0.60 C ATOM 349 OD1 ASN A 21 -1.020 0.491 -12.178 1.00 2.02 O ATOM 350 ND2 ASN A 21 0.400 1.575 -10.841 1.00 1.08 N ATOM 0 H ASN A 21 -2.858 -0.905 -11.344 1.00 0.26 H new ATOM 0 HA ASN A 21 -0.415 -1.805 -10.245 1.00 0.23 H new ATOM 0 HB2 ASN A 21 -2.299 0.553 -9.729 1.00 0.31 H new ATOM 0 HB3 ASN A 21 -0.746 0.397 -8.932 1.00 0.31 H new ATOM 0 HD21 ASN A 21 0.869 2.018 -11.631 1.00 1.08 H new ATOM 0 HD22 ASN A 21 0.712 1.768 -9.889 1.00 1.08 H new ATOM 357 N PHE A 22 -2.993 -2.524 -8.549 1.00 0.22 N ATOM 358 CA PHE A 22 -3.510 -3.179 -7.379 1.00 0.18 C ATOM 359 C PHE A 22 -4.141 -4.455 -7.906 1.00 0.22 C ATOM 360 O PHE A 22 -5.026 -4.412 -8.759 1.00 0.44 O ATOM 361 CB PHE A 22 -4.487 -2.242 -6.664 1.00 0.16 C ATOM 362 CG PHE A 22 -5.519 -1.584 -7.558 1.00 0.19 C ATOM 363 CD1 PHE A 22 -6.749 -2.217 -7.813 1.00 0.21 C ATOM 364 CD2 PHE A 22 -5.223 -0.353 -8.174 1.00 0.29 C ATOM 365 CE1 PHE A 22 -7.659 -1.630 -8.709 1.00 0.28 C ATOM 366 CE2 PHE A 22 -6.143 0.240 -9.053 1.00 0.35 C ATOM 367 CZ PHE A 22 -7.363 -0.402 -9.322 1.00 0.32 C ATOM 0 H PHE A 22 -3.646 -2.534 -9.333 1.00 0.22 H new ATOM 0 HA PHE A 22 -2.759 -3.425 -6.628 1.00 0.18 H new ATOM 0 HB2 PHE A 22 -5.007 -2.807 -5.890 1.00 0.16 H new ATOM 0 HB3 PHE A 22 -3.916 -1.462 -6.160 1.00 0.16 H new ATOM 0 HD1 PHE A 22 -6.993 -3.148 -7.323 1.00 0.21 H new ATOM 0 HD2 PHE A 22 -4.283 0.138 -7.969 1.00 0.29 H new ATOM 0 HE1 PHE A 22 -8.593 -2.127 -8.928 1.00 0.28 H new ATOM 0 HE2 PHE A 22 -5.914 1.186 -9.521 1.00 0.35 H new ATOM 0 HZ PHE A 22 -8.073 0.049 -10.000 1.00 0.32 H new ATOM 377 N ARG A 23 -3.630 -5.600 -7.466 1.00 0.20 N ATOM 378 CA ARG A 23 -4.083 -6.898 -7.928 1.00 0.22 C ATOM 379 C ARG A 23 -4.084 -7.850 -6.753 1.00 0.21 C ATOM 380 O ARG A 23 -3.738 -7.475 -5.639 1.00 0.20 O ATOM 381 CB ARG A 23 -3.154 -7.409 -9.042 1.00 0.36 C ATOM 382 CG ARG A 23 -3.612 -6.966 -10.436 1.00 0.79 C ATOM 383 CD ARG A 23 -3.725 -8.206 -11.323 1.00 1.16 C ATOM 384 NE ARG A 23 -4.161 -7.895 -12.686 1.00 2.10 N ATOM 385 CZ ARG A 23 -4.047 -8.757 -13.705 1.00 2.55 C ATOM 386 NH1 ARG A 23 -4.269 -8.357 -14.954 1.00 3.80 N ATOM 387 NH2 ARG A 23 -3.721 -10.023 -13.456 1.00 2.27 N ATOM 0 H ARG A 23 -2.883 -5.649 -6.773 1.00 0.20 H new ATOM 0 HA ARG A 23 -5.091 -6.824 -8.337 1.00 0.22 H new ATOM 0 HB2 ARG A 23 -2.142 -7.045 -8.863 1.00 0.36 H new ATOM 0 HB3 ARG A 23 -3.112 -8.498 -9.005 1.00 0.36 H new ATOM 0 HG2 ARG A 23 -4.573 -6.455 -10.375 1.00 0.79 H new ATOM 0 HG3 ARG A 23 -2.901 -6.258 -10.862 1.00 0.79 H new ATOM 0 HD2 ARG A 23 -2.758 -8.708 -11.362 1.00 1.16 H new ATOM 0 HD3 ARG A 23 -4.429 -8.906 -10.873 1.00 1.16 H new ATOM 0 HE ARG A 23 -4.571 -6.979 -12.868 1.00 2.10 H new ATOM 0 HH11 ARG A 23 -4.528 -7.388 -15.141 1.00 3.80 H new ATOM 0 HH12 ARG A 23 -4.180 -9.019 -15.725 1.00 3.80 H new ATOM 0 HH21 ARG A 23 -3.561 -10.329 -12.496 1.00 2.27 H new ATOM 0 HH22 ARG A 23 -3.632 -10.687 -14.225 1.00 2.27 H new ATOM 401 N ASN A 24 -4.508 -9.089 -6.996 1.00 0.22 N ATOM 402 CA ASN A 24 -4.701 -10.076 -5.947 1.00 0.22 C ATOM 403 C ASN A 24 -5.542 -9.494 -4.808 1.00 0.23 C ATOM 404 O ASN A 24 -5.341 -9.856 -3.655 1.00 0.30 O ATOM 405 CB ASN A 24 -3.338 -10.605 -5.478 1.00 0.27 C ATOM 406 CG ASN A 24 -3.449 -11.969 -4.809 1.00 0.40 C ATOM 407 OD1 ASN A 24 -3.599 -12.018 -3.495 1.00 1.38 O flip ATOM 408 ND2 ASN A 24 -3.421 -12.994 -5.473 1.00 1.28 N flip ATOM 0 H ASN A 24 -4.727 -9.433 -7.931 1.00 0.22 H new ATOM 0 HA ASN A 24 -5.261 -10.926 -6.337 1.00 0.22 H new ATOM 0 HB2 ASN A 24 -2.664 -10.675 -6.332 1.00 0.27 H new ATOM 0 HB3 ASN A 24 -2.895 -9.895 -4.780 1.00 0.27 H new ATOM 0 HD21 ASN A 24 -3.305 -12.943 -6.485 1.00 1.28 H new ATOM 0 HD22 ASN A 24 -3.514 -13.901 -5.015 1.00 1.28 H new ATOM 415 N ILE A 25 -6.479 -8.592 -5.127 1.00 0.21 N ATOM 416 CA ILE A 25 -7.452 -8.090 -4.171 1.00 0.22 C ATOM 417 C ILE A 25 -8.243 -9.311 -3.707 1.00 0.24 C ATOM 418 O ILE A 25 -8.807 -10.023 -4.541 1.00 0.29 O ATOM 419 CB ILE A 25 -8.343 -7.007 -4.839 1.00 0.22 C ATOM 420 CG1 ILE A 25 -7.789 -5.590 -4.587 1.00 0.24 C ATOM 421 CG2 ILE A 25 -9.791 -7.045 -4.332 1.00 0.34 C ATOM 422 CD1 ILE A 25 -8.660 -4.494 -5.188 1.00 0.24 C ATOM 0 H ILE A 25 -6.577 -8.194 -6.061 1.00 0.21 H new ATOM 0 HA ILE A 25 -6.990 -7.600 -3.314 1.00 0.22 H new ATOM 0 HB ILE A 25 -8.331 -7.234 -5.905 1.00 0.22 H new ATOM 0 HG12 ILE A 25 -7.699 -5.427 -3.513 1.00 0.24 H new ATOM 0 HG13 ILE A 25 -6.785 -5.519 -5.005 1.00 0.24 H new ATOM 0 HG21 ILE A 25 -10.371 -6.268 -4.830 1.00 0.34 H new ATOM 0 HG22 ILE A 25 -10.227 -8.020 -4.550 1.00 0.34 H new ATOM 0 HG23 ILE A 25 -9.804 -6.874 -3.256 1.00 0.34 H new ATOM 0 HD11 ILE A 25 -8.217 -3.521 -4.977 1.00 0.24 H new ATOM 0 HD12 ILE A 25 -8.729 -4.635 -6.267 1.00 0.24 H new ATOM 0 HD13 ILE A 25 -9.657 -4.541 -4.751 1.00 0.24 H new ATOM 434 N GLN A 26 -8.303 -9.545 -2.397 1.00 0.22 N ATOM 435 CA GLN A 26 -9.149 -10.560 -1.797 1.00 0.23 C ATOM 436 C GLN A 26 -9.751 -9.971 -0.530 1.00 0.23 C ATOM 437 O GLN A 26 -9.204 -9.031 0.053 1.00 0.25 O ATOM 438 CB GLN A 26 -8.397 -11.850 -1.460 1.00 0.28 C ATOM 439 CG GLN A 26 -7.271 -12.147 -2.449 1.00 0.30 C ATOM 440 CD GLN A 26 -6.819 -13.597 -2.390 1.00 0.41 C ATOM 441 OE1 GLN A 26 -7.314 -14.402 -1.612 1.00 1.36 O ATOM 442 NE2 GLN A 26 -5.875 -13.972 -3.238 1.00 1.12 N ATOM 0 H GLN A 26 -7.753 -9.022 -1.716 1.00 0.22 H new ATOM 0 HA GLN A 26 -9.916 -10.836 -2.520 1.00 0.23 H new ATOM 0 HB2 GLN A 26 -7.982 -11.773 -0.455 1.00 0.28 H new ATOM 0 HB3 GLN A 26 -9.099 -12.684 -1.452 1.00 0.28 H new ATOM 0 HG2 GLN A 26 -7.607 -11.914 -3.459 1.00 0.30 H new ATOM 0 HG3 GLN A 26 -6.423 -11.496 -2.237 1.00 0.30 H new ATOM 0 HE21 GLN A 26 -5.469 -13.293 -3.882 1.00 1.12 H new ATOM 0 HE22 GLN A 26 -5.553 -14.940 -3.248 1.00 1.12 H new ATOM 451 N VAL A 27 -10.869 -10.541 -0.098 1.00 0.26 N ATOM 452 CA VAL A 27 -11.577 -10.113 1.087 1.00 0.28 C ATOM 453 C VAL A 27 -12.107 -11.394 1.733 1.00 0.36 C ATOM 454 O VAL A 27 -12.526 -12.299 1.012 1.00 0.47 O ATOM 455 CB VAL A 27 -12.635 -9.087 0.640 1.00 0.28 C ATOM 456 CG1 VAL A 27 -13.824 -9.709 -0.102 1.00 0.44 C ATOM 457 CG2 VAL A 27 -13.136 -8.263 1.815 1.00 0.35 C ATOM 0 H VAL A 27 -11.311 -11.327 -0.575 1.00 0.26 H new ATOM 0 HA VAL A 27 -10.981 -9.600 1.842 1.00 0.28 H new ATOM 0 HB VAL A 27 -12.123 -8.438 -0.070 1.00 0.28 H new ATOM 0 HG11 VAL A 27 -14.527 -8.925 -0.385 1.00 0.44 H new ATOM 0 HG12 VAL A 27 -13.468 -10.218 -0.998 1.00 0.44 H new ATOM 0 HG13 VAL A 27 -14.324 -10.427 0.549 1.00 0.44 H new ATOM 0 HG21 VAL A 27 -13.881 -7.548 1.467 1.00 0.35 H new ATOM 0 HG22 VAL A 27 -13.585 -8.923 2.557 1.00 0.35 H new ATOM 0 HG23 VAL A 27 -12.301 -7.726 2.265 1.00 0.35 H new ATOM 467 N ASP A 28 -12.005 -11.529 3.056 1.00 0.35 N ATOM 468 CA ASP A 28 -12.496 -12.727 3.737 1.00 0.42 C ATOM 469 C ASP A 28 -14.022 -12.660 3.838 1.00 0.40 C ATOM 470 O ASP A 28 -14.595 -11.593 3.643 1.00 0.37 O ATOM 471 CB ASP A 28 -11.841 -12.827 5.115 1.00 0.47 C ATOM 472 CG ASP A 28 -12.160 -14.167 5.764 1.00 0.59 C ATOM 473 OD1 ASP A 28 -13.096 -14.195 6.593 1.00 1.13 O ATOM 474 OD2 ASP A 28 -11.498 -15.153 5.386 1.00 1.33 O ATOM 0 H ASP A 28 -11.591 -10.830 3.673 1.00 0.35 H new ATOM 0 HA ASP A 28 -12.234 -13.623 3.173 1.00 0.42 H new ATOM 0 HB2 ASP A 28 -10.761 -12.711 5.020 1.00 0.47 H new ATOM 0 HB3 ASP A 28 -12.194 -12.015 5.751 1.00 0.47 H new ATOM 479 N GLU A 29 -14.708 -13.768 4.126 1.00 0.49 N ATOM 480 CA GLU A 29 -16.158 -13.716 4.284 1.00 0.53 C ATOM 481 C GLU A 29 -16.501 -13.099 5.637 1.00 0.48 C ATOM 482 O GLU A 29 -17.337 -12.203 5.744 1.00 0.50 O ATOM 483 CB GLU A 29 -16.793 -15.112 4.204 1.00 0.71 C ATOM 484 CG GLU A 29 -16.293 -15.946 3.022 1.00 1.64 C ATOM 485 CD GLU A 29 -17.157 -17.197 2.851 1.00 1.98 C ATOM 486 OE1 GLU A 29 -18.295 -17.040 2.355 1.00 2.53 O ATOM 487 OE2 GLU A 29 -16.678 -18.288 3.231 1.00 2.73 O ATOM 0 H GLU A 29 -14.293 -14.691 4.252 1.00 0.49 H new ATOM 0 HA GLU A 29 -16.556 -13.110 3.470 1.00 0.53 H new ATOM 0 HB2 GLU A 29 -16.587 -15.649 5.130 1.00 0.71 H new ATOM 0 HB3 GLU A 29 -17.875 -15.006 4.131 1.00 0.71 H new ATOM 0 HG2 GLU A 29 -16.320 -15.350 2.110 1.00 1.64 H new ATOM 0 HG3 GLU A 29 -15.254 -16.233 3.184 1.00 1.64 H new ATOM 494 N ALA A 30 -15.877 -13.628 6.689 1.00 0.47 N ATOM 495 CA ALA A 30 -16.140 -13.225 8.057 1.00 0.48 C ATOM 496 C ALA A 30 -15.417 -11.912 8.318 1.00 0.38 C ATOM 497 O ALA A 30 -16.022 -10.902 8.673 1.00 0.41 O ATOM 498 CB ALA A 30 -15.663 -14.325 9.012 1.00 0.56 C ATOM 0 H ALA A 30 -15.168 -14.356 6.607 1.00 0.47 H new ATOM 0 HA ALA A 30 -17.208 -13.079 8.221 1.00 0.48 H new ATOM 0 HB1 ALA A 30 -15.860 -14.024 10.041 1.00 0.56 H new ATOM 0 HB2 ALA A 30 -16.197 -15.251 8.796 1.00 0.56 H new ATOM 0 HB3 ALA A 30 -14.593 -14.484 8.879 1.00 0.56 H new ATOM 504 N ASN A 31 -14.101 -11.913 8.120 1.00 0.33 N ATOM 505 CA ASN A 31 -13.273 -10.739 8.319 1.00 0.29 C ATOM 506 C ASN A 31 -13.232 -9.912 7.033 1.00 0.22 C ATOM 507 O ASN A 31 -12.162 -9.487 6.608 1.00 0.26 O ATOM 508 CB ASN A 31 -11.872 -11.192 8.752 1.00 0.38 C ATOM 509 CG ASN A 31 -11.072 -10.055 9.376 1.00 1.29 C ATOM 510 OD1 ASN A 31 -11.453 -8.888 9.332 1.00 2.31 O ATOM 511 ND2 ASN A 31 -9.954 -10.389 10.008 1.00 1.84 N ATOM 0 H ASN A 31 -13.581 -12.736 7.815 1.00 0.33 H new ATOM 0 HA ASN A 31 -13.688 -10.104 9.102 1.00 0.29 H new ATOM 0 HB2 ASN A 31 -11.960 -12.009 9.468 1.00 0.38 H new ATOM 0 HB3 ASN A 31 -11.334 -11.582 7.888 1.00 0.38 H new ATOM 0 HD21 ASN A 31 -9.394 -9.671 10.468 1.00 1.84 H new ATOM 0 HD22 ASN A 31 -9.654 -11.364 10.033 1.00 1.84 H new ATOM 518 N LEU A 32 -14.385 -9.676 6.395 1.00 0.21 N ATOM 519 CA LEU A 32 -14.427 -8.934 5.132 1.00 0.21 C ATOM 520 C LEU A 32 -13.994 -7.480 5.339 1.00 0.21 C ATOM 521 O LEU A 32 -13.536 -6.803 4.426 1.00 0.25 O ATOM 522 CB LEU A 32 -15.801 -9.103 4.441 1.00 0.29 C ATOM 523 CG LEU A 32 -16.811 -7.947 4.507 1.00 0.29 C ATOM 524 CD1 LEU A 32 -16.611 -6.923 3.381 1.00 0.46 C ATOM 525 CD2 LEU A 32 -18.217 -8.529 4.315 1.00 0.36 C ATOM 0 H LEU A 32 -15.296 -9.987 6.732 1.00 0.21 H new ATOM 0 HA LEU A 32 -13.700 -9.355 4.438 1.00 0.21 H new ATOM 0 HB2 LEU A 32 -15.617 -9.320 3.389 1.00 0.29 H new ATOM 0 HB3 LEU A 32 -16.279 -9.984 4.869 1.00 0.29 H new ATOM 0 HG LEU A 32 -16.673 -7.452 5.468 1.00 0.29 H new ATOM 0 HD11 LEU A 32 -17.351 -6.128 3.476 1.00 0.46 H new ATOM 0 HD12 LEU A 32 -15.610 -6.497 3.450 1.00 0.46 H new ATOM 0 HD13 LEU A 32 -16.729 -7.416 2.416 1.00 0.46 H new ATOM 0 HD21 LEU A 32 -18.952 -7.726 4.358 1.00 0.36 H new ATOM 0 HD22 LEU A 32 -18.277 -9.024 3.346 1.00 0.36 H new ATOM 0 HD23 LEU A 32 -18.423 -9.252 5.105 1.00 0.36 H new ATOM 537 N LEU A 33 -14.115 -7.003 6.577 1.00 0.20 N ATOM 538 CA LEU A 33 -13.574 -5.732 7.020 1.00 0.24 C ATOM 539 C LEU A 33 -12.087 -5.604 6.680 1.00 0.29 C ATOM 540 O LEU A 33 -11.638 -4.531 6.282 1.00 0.62 O ATOM 541 CB LEU A 33 -13.818 -5.618 8.529 1.00 0.27 C ATOM 542 CG LEU A 33 -15.290 -5.341 8.867 1.00 0.32 C ATOM 543 CD1 LEU A 33 -15.444 -5.316 10.383 1.00 0.37 C ATOM 544 CD2 LEU A 33 -15.785 -3.996 8.328 1.00 0.41 C ATOM 0 H LEU A 33 -14.606 -7.508 7.314 1.00 0.20 H new ATOM 0 HA LEU A 33 -14.074 -4.915 6.500 1.00 0.24 H new ATOM 0 HB2 LEU A 33 -13.504 -6.542 9.015 1.00 0.27 H new ATOM 0 HB3 LEU A 33 -13.199 -4.818 8.935 1.00 0.27 H new ATOM 0 HG LEU A 33 -15.880 -6.130 8.400 1.00 0.32 H new ATOM 0 HD11 LEU A 33 -16.485 -5.120 10.640 1.00 0.37 H new ATOM 0 HD12 LEU A 33 -15.144 -6.279 10.795 1.00 0.37 H new ATOM 0 HD13 LEU A 33 -14.814 -4.531 10.800 1.00 0.37 H new ATOM 0 HD21 LEU A 33 -16.832 -3.858 8.599 1.00 0.41 H new ATOM 0 HD22 LEU A 33 -15.190 -3.190 8.758 1.00 0.41 H new ATOM 0 HD23 LEU A 33 -15.686 -3.980 7.243 1.00 0.41 H new ATOM 556 N THR A 34 -11.306 -6.673 6.838 1.00 0.25 N ATOM 557 CA THR A 34 -9.898 -6.632 6.487 1.00 0.23 C ATOM 558 C THR A 34 -9.691 -7.073 5.042 1.00 0.22 C ATOM 559 O THR A 34 -10.357 -7.970 4.531 1.00 0.26 O ATOM 560 CB THR A 34 -9.096 -7.497 7.462 1.00 0.25 C ATOM 561 OG1 THR A 34 -9.337 -7.043 8.777 1.00 0.36 O ATOM 562 CG2 THR A 34 -7.594 -7.392 7.202 1.00 0.25 C ATOM 0 H THR A 34 -11.627 -7.569 7.205 1.00 0.25 H new ATOM 0 HA THR A 34 -9.538 -5.606 6.567 1.00 0.23 H new ATOM 0 HB THR A 34 -9.408 -8.533 7.327 1.00 0.25 H new ATOM 0 HG1 THR A 34 -10.065 -7.565 9.175 1.00 0.36 H new ATOM 0 HG21 THR A 34 -7.057 -8.019 7.913 1.00 0.25 H new ATOM 0 HG22 THR A 34 -7.376 -7.725 6.187 1.00 0.25 H new ATOM 0 HG23 THR A 34 -7.276 -6.356 7.320 1.00 0.25 H new ATOM 570 N TRP A 35 -8.737 -6.419 4.385 1.00 0.19 N ATOM 571 CA TRP A 35 -8.431 -6.624 2.980 1.00 0.19 C ATOM 572 C TRP A 35 -7.020 -7.168 2.876 1.00 0.19 C ATOM 573 O TRP A 35 -6.164 -6.832 3.695 1.00 0.20 O ATOM 574 CB TRP A 35 -8.472 -5.291 2.231 1.00 0.19 C ATOM 575 CG TRP A 35 -9.785 -4.591 2.126 1.00 0.19 C ATOM 576 CD1 TRP A 35 -10.670 -4.410 3.128 1.00 0.21 C ATOM 577 CD2 TRP A 35 -10.356 -3.916 0.966 1.00 0.19 C ATOM 578 NE1 TRP A 35 -11.770 -3.736 2.664 1.00 0.22 N ATOM 579 CE2 TRP A 35 -11.629 -3.390 1.334 1.00 0.21 C ATOM 580 CE3 TRP A 35 -9.910 -3.675 -0.353 1.00 0.23 C ATOM 581 CZ2 TRP A 35 -12.432 -2.690 0.422 1.00 0.23 C ATOM 582 CZ3 TRP A 35 -10.707 -2.968 -1.273 1.00 0.26 C ATOM 583 CH2 TRP A 35 -11.975 -2.501 -0.891 1.00 0.27 C ATOM 0 H TRP A 35 -8.144 -5.717 4.828 1.00 0.19 H new ATOM 0 HA TRP A 35 -9.160 -7.311 2.550 1.00 0.19 H new ATOM 0 HB2 TRP A 35 -7.769 -4.613 2.715 1.00 0.19 H new ATOM 0 HB3 TRP A 35 -8.103 -5.464 1.220 1.00 0.19 H new ATOM 0 HD1 TRP A 35 -10.532 -4.746 4.145 1.00 0.21 H new ATOM 0 HE1 TRP A 35 -12.590 -3.517 3.230 1.00 0.22 H new ATOM 0 HE3 TRP A 35 -8.941 -4.040 -0.661 1.00 0.23 H new ATOM 0 HZ2 TRP A 35 -13.392 -2.301 0.727 1.00 0.23 H new ATOM 0 HZ3 TRP A 35 -10.343 -2.785 -2.273 1.00 0.26 H new ATOM 0 HH2 TRP A 35 -12.601 -1.994 -1.611 1.00 0.27 H new ATOM 594 N GLN A 36 -6.744 -7.934 1.825 1.00 0.18 N ATOM 595 CA GLN A 36 -5.391 -8.352 1.524 1.00 0.17 C ATOM 596 C GLN A 36 -5.209 -8.334 0.017 1.00 0.22 C ATOM 597 O GLN A 36 -6.142 -8.628 -0.724 1.00 0.37 O ATOM 598 CB GLN A 36 -5.112 -9.736 2.123 1.00 0.33 C ATOM 599 CG GLN A 36 -6.175 -10.773 1.736 1.00 0.60 C ATOM 600 CD GLN A 36 -5.775 -12.182 2.161 1.00 0.88 C ATOM 601 OE1 GLN A 36 -4.607 -12.557 2.079 1.00 1.59 O ATOM 602 NE2 GLN A 36 -6.735 -12.988 2.601 1.00 1.13 N ATOM 0 H GLN A 36 -7.446 -8.276 1.169 1.00 0.18 H new ATOM 0 HA GLN A 36 -4.671 -7.667 1.972 1.00 0.17 H new ATOM 0 HB2 GLN A 36 -4.134 -10.082 1.789 1.00 0.33 H new ATOM 0 HB3 GLN A 36 -5.067 -9.655 3.209 1.00 0.33 H new ATOM 0 HG2 GLN A 36 -7.125 -10.510 2.200 1.00 0.60 H new ATOM 0 HG3 GLN A 36 -6.330 -10.749 0.657 1.00 0.60 H new ATOM 0 HE21 GLN A 36 -7.696 -12.652 2.659 1.00 1.13 H new ATOM 0 HE22 GLN A 36 -6.511 -13.943 2.881 1.00 1.13 H new ATOM 611 N GLY A 37 -4.010 -7.998 -0.444 1.00 0.18 N ATOM 612 CA GLY A 37 -3.676 -8.153 -1.843 1.00 0.18 C ATOM 613 C GLY A 37 -2.251 -7.702 -2.071 1.00 0.17 C ATOM 614 O GLY A 37 -1.453 -7.680 -1.137 1.00 0.24 O ATOM 0 H GLY A 37 -3.259 -7.618 0.133 1.00 0.18 H new ATOM 0 HA2 GLY A 37 -3.792 -9.194 -2.143 1.00 0.18 H new ATOM 0 HA3 GLY A 37 -4.358 -7.566 -2.458 1.00 0.18 H new ATOM 618 N LEU A 38 -1.918 -7.340 -3.302 1.00 0.17 N ATOM 619 CA LEU A 38 -0.624 -6.769 -3.613 1.00 0.17 C ATOM 620 C LEU A 38 -0.825 -5.537 -4.470 1.00 0.18 C ATOM 621 O LEU A 38 -1.900 -5.307 -5.023 1.00 0.24 O ATOM 622 CB LEU A 38 0.310 -7.819 -4.243 1.00 0.19 C ATOM 623 CG LEU A 38 -0.143 -8.402 -5.595 1.00 0.20 C ATOM 624 CD1 LEU A 38 0.093 -7.461 -6.779 1.00 0.26 C ATOM 625 CD2 LEU A 38 0.644 -9.687 -5.868 1.00 0.24 C ATOM 0 H LEU A 38 -2.537 -7.435 -4.107 1.00 0.17 H new ATOM 0 HA LEU A 38 -0.120 -6.454 -2.700 1.00 0.17 H new ATOM 0 HB2 LEU A 38 1.294 -7.368 -4.376 1.00 0.19 H new ATOM 0 HB3 LEU A 38 0.429 -8.641 -3.537 1.00 0.19 H new ATOM 0 HG LEU A 38 -1.216 -8.574 -5.512 1.00 0.20 H new ATOM 0 HD11 LEU A 38 -0.250 -7.938 -7.697 1.00 0.26 H new ATOM 0 HD12 LEU A 38 -0.460 -6.535 -6.623 1.00 0.26 H new ATOM 0 HD13 LEU A 38 1.157 -7.239 -6.861 1.00 0.26 H new ATOM 0 HD21 LEU A 38 0.332 -10.109 -6.823 1.00 0.24 H new ATOM 0 HD22 LEU A 38 1.710 -9.461 -5.903 1.00 0.24 H new ATOM 0 HD23 LEU A 38 0.452 -10.407 -5.073 1.00 0.24 H new ATOM 637 N ILE A 39 0.230 -4.747 -4.591 1.00 0.17 N ATOM 638 CA ILE A 39 0.244 -3.577 -5.431 1.00 0.16 C ATOM 639 C ILE A 39 1.462 -3.718 -6.328 1.00 0.17 C ATOM 640 O ILE A 39 2.561 -4.024 -5.860 1.00 0.22 O ATOM 641 CB ILE A 39 0.186 -2.289 -4.589 1.00 0.15 C ATOM 642 CG1 ILE A 39 1.168 -2.318 -3.402 1.00 0.15 C ATOM 643 CG2 ILE A 39 -1.251 -2.115 -4.070 1.00 0.17 C ATOM 644 CD1 ILE A 39 1.077 -1.056 -2.545 1.00 0.16 C ATOM 0 H ILE A 39 1.109 -4.909 -4.099 1.00 0.17 H new ATOM 0 HA ILE A 39 -0.640 -3.497 -6.063 1.00 0.16 H new ATOM 0 HB ILE A 39 0.479 -1.452 -5.222 1.00 0.15 H new ATOM 0 HG12 ILE A 39 0.961 -3.191 -2.783 1.00 0.15 H new ATOM 0 HG13 ILE A 39 2.185 -2.427 -3.777 1.00 0.15 H new ATOM 0 HG21 ILE A 39 -1.314 -1.207 -3.470 1.00 0.17 H new ATOM 0 HG22 ILE A 39 -1.936 -2.040 -4.914 1.00 0.17 H new ATOM 0 HG23 ILE A 39 -1.523 -2.974 -3.457 1.00 0.17 H new ATOM 0 HD11 ILE A 39 1.788 -1.123 -1.721 1.00 0.16 H new ATOM 0 HD12 ILE A 39 1.311 -0.184 -3.156 1.00 0.16 H new ATOM 0 HD13 ILE A 39 0.067 -0.959 -2.146 1.00 0.16 H new ATOM 656 N VAL A 40 1.221 -3.595 -7.630 1.00 0.27 N ATOM 657 CA VAL A 40 2.202 -3.695 -8.686 1.00 0.28 C ATOM 658 C VAL A 40 2.622 -2.256 -8.990 1.00 0.32 C ATOM 659 O VAL A 40 1.807 -1.478 -9.483 1.00 0.41 O ATOM 660 CB VAL A 40 1.572 -4.378 -9.916 1.00 0.23 C ATOM 661 CG1 VAL A 40 2.662 -4.789 -10.902 1.00 0.24 C ATOM 662 CG2 VAL A 40 0.795 -5.646 -9.539 1.00 0.30 C ATOM 0 H VAL A 40 0.283 -3.413 -7.987 1.00 0.27 H new ATOM 0 HA VAL A 40 3.066 -4.297 -8.404 1.00 0.28 H new ATOM 0 HB VAL A 40 0.888 -3.653 -10.357 1.00 0.23 H new ATOM 0 HG11 VAL A 40 2.207 -5.271 -11.767 1.00 0.24 H new ATOM 0 HG12 VAL A 40 3.212 -3.905 -11.226 1.00 0.24 H new ATOM 0 HG13 VAL A 40 3.347 -5.485 -10.418 1.00 0.24 H new ATOM 0 HG21 VAL A 40 0.369 -6.092 -10.438 1.00 0.30 H new ATOM 0 HG22 VAL A 40 1.470 -6.359 -9.064 1.00 0.30 H new ATOM 0 HG23 VAL A 40 -0.007 -5.389 -8.847 1.00 0.30 H new ATOM 672 N PRO A 41 3.841 -1.851 -8.628 1.00 0.41 N ATOM 673 CA PRO A 41 4.333 -0.522 -8.935 1.00 0.46 C ATOM 674 C PRO A 41 4.847 -0.476 -10.377 1.00 0.37 C ATOM 675 O PRO A 41 4.855 -1.496 -11.059 1.00 0.40 O ATOM 676 CB PRO A 41 5.440 -0.301 -7.912 1.00 0.68 C ATOM 677 CG PRO A 41 6.017 -1.698 -7.676 1.00 0.64 C ATOM 678 CD PRO A 41 4.822 -2.627 -7.888 1.00 0.56 C ATOM 0 HA PRO A 41 3.573 0.257 -8.874 1.00 0.46 H new ATOM 0 HB2 PRO A 41 6.199 0.385 -8.288 1.00 0.68 H new ATOM 0 HB3 PRO A 41 5.050 0.130 -6.990 1.00 0.68 H new ATOM 0 HG2 PRO A 41 6.825 -1.920 -8.373 1.00 0.64 H new ATOM 0 HG3 PRO A 41 6.427 -1.797 -6.671 1.00 0.64 H new ATOM 0 HD2 PRO A 41 5.114 -3.519 -8.443 1.00 0.56 H new ATOM 0 HD3 PRO A 41 4.415 -2.964 -6.935 1.00 0.56 H new ATOM 686 N ASP A 42 5.307 0.697 -10.826 1.00 0.39 N ATOM 687 CA ASP A 42 5.846 0.885 -12.174 1.00 0.36 C ATOM 688 C ASP A 42 7.298 1.349 -12.077 1.00 0.35 C ATOM 689 O ASP A 42 8.181 0.790 -12.719 1.00 0.34 O ATOM 690 CB ASP A 42 5.023 1.915 -12.962 1.00 0.51 C ATOM 691 CG ASP A 42 3.567 1.501 -13.141 1.00 0.75 C ATOM 692 OD1 ASP A 42 3.285 0.782 -14.124 1.00 1.17 O ATOM 693 OD2 ASP A 42 2.752 1.934 -12.292 1.00 1.69 O ATOM 0 H ASP A 42 5.315 1.546 -10.260 1.00 0.39 H new ATOM 0 HA ASP A 42 5.794 -0.066 -12.704 1.00 0.36 H new ATOM 0 HB2 ASP A 42 5.062 2.874 -12.446 1.00 0.51 H new ATOM 0 HB3 ASP A 42 5.477 2.062 -13.942 1.00 0.51 H new ATOM 698 N ASN A 43 7.530 2.396 -11.280 1.00 0.39 N ATOM 699 CA ASN A 43 8.820 3.048 -11.073 1.00 0.38 C ATOM 700 C ASN A 43 9.856 2.096 -10.473 1.00 0.34 C ATOM 701 O ASN A 43 10.878 1.836 -11.104 1.00 0.36 O ATOM 702 CB ASN A 43 8.661 4.308 -10.199 1.00 0.39 C ATOM 703 CG ASN A 43 8.592 5.568 -11.040 1.00 0.46 C ATOM 704 OD1 ASN A 43 9.615 6.151 -11.376 1.00 0.67 O ATOM 705 ND2 ASN A 43 7.392 6.001 -11.401 1.00 0.67 N ATOM 0 H ASN A 43 6.785 2.831 -10.736 1.00 0.39 H new ATOM 0 HA ASN A 43 9.191 3.350 -12.053 1.00 0.38 H new ATOM 0 HB2 ASN A 43 7.756 4.222 -9.597 1.00 0.39 H new ATOM 0 HB3 ASN A 43 9.499 4.378 -9.506 1.00 0.39 H new ATOM 0 HD21 ASN A 43 7.304 6.840 -11.974 1.00 0.67 H new ATOM 0 HD22 ASN A 43 6.557 5.495 -11.106 1.00 0.67 H new ATOM 712 N PRO A 44 9.671 1.612 -9.235 1.00 0.30 N ATOM 713 CA PRO A 44 10.594 0.654 -8.658 1.00 0.27 C ATOM 714 C PRO A 44 10.466 -0.679 -9.402 1.00 0.24 C ATOM 715 O PRO A 44 9.444 -0.944 -10.034 1.00 0.27 O ATOM 716 CB PRO A 44 10.188 0.539 -7.186 1.00 0.26 C ATOM 717 CG PRO A 44 8.686 0.772 -7.267 1.00 0.28 C ATOM 718 CD PRO A 44 8.581 1.879 -8.317 1.00 0.34 C ATOM 0 HA PRO A 44 11.638 0.956 -8.740 1.00 0.27 H new ATOM 0 HB2 PRO A 44 10.430 -0.439 -6.769 1.00 0.26 H new ATOM 0 HB3 PRO A 44 10.686 1.283 -6.564 1.00 0.26 H new ATOM 0 HG2 PRO A 44 8.151 -0.128 -7.571 1.00 0.28 H new ATOM 0 HG3 PRO A 44 8.271 1.081 -6.308 1.00 0.28 H new ATOM 0 HD2 PRO A 44 7.618 1.853 -8.826 1.00 0.34 H new ATOM 0 HD3 PRO A 44 8.676 2.866 -7.864 1.00 0.34 H new ATOM 726 N PRO A 45 11.492 -1.531 -9.307 1.00 0.24 N ATOM 727 CA PRO A 45 11.634 -2.757 -10.081 1.00 0.24 C ATOM 728 C PRO A 45 10.520 -3.775 -9.806 1.00 0.30 C ATOM 729 O PRO A 45 10.696 -4.700 -9.012 1.00 0.55 O ATOM 730 CB PRO A 45 13.033 -3.289 -9.758 1.00 0.27 C ATOM 731 CG PRO A 45 13.372 -2.622 -8.438 1.00 0.26 C ATOM 732 CD PRO A 45 12.689 -1.272 -8.541 1.00 0.26 C ATOM 0 HA PRO A 45 11.530 -2.561 -11.148 1.00 0.24 H new ATOM 0 HB2 PRO A 45 13.039 -4.376 -9.671 1.00 0.27 H new ATOM 0 HB3 PRO A 45 13.751 -3.027 -10.535 1.00 0.27 H new ATOM 0 HG2 PRO A 45 13.000 -3.197 -7.590 1.00 0.26 H new ATOM 0 HG3 PRO A 45 14.449 -2.518 -8.305 1.00 0.26 H new ATOM 0 HD2 PRO A 45 12.451 -0.871 -7.556 1.00 0.26 H new ATOM 0 HD3 PRO A 45 13.327 -0.541 -9.037 1.00 0.26 H new ATOM 740 N TYR A 46 9.389 -3.633 -10.501 1.00 0.25 N ATOM 741 CA TYR A 46 8.263 -4.554 -10.406 1.00 0.30 C ATOM 742 C TYR A 46 8.487 -5.799 -11.260 1.00 0.35 C ATOM 743 O TYR A 46 7.805 -6.803 -11.088 1.00 0.70 O ATOM 744 CB TYR A 46 6.962 -3.862 -10.820 1.00 0.33 C ATOM 745 CG TYR A 46 6.789 -3.638 -12.308 1.00 0.39 C ATOM 746 CD1 TYR A 46 6.131 -4.607 -13.089 1.00 1.55 C ATOM 747 CD2 TYR A 46 7.248 -2.448 -12.901 1.00 1.55 C ATOM 748 CE1 TYR A 46 5.916 -4.381 -14.459 1.00 1.71 C ATOM 749 CE2 TYR A 46 7.031 -2.211 -14.269 1.00 1.65 C ATOM 750 CZ TYR A 46 6.355 -3.177 -15.053 1.00 0.98 C ATOM 751 OH TYR A 46 6.108 -2.952 -16.373 1.00 1.31 O ATOM 0 H TYR A 46 9.231 -2.864 -11.153 1.00 0.25 H new ATOM 0 HA TYR A 46 8.183 -4.866 -9.365 1.00 0.30 H new ATOM 0 HB2 TYR A 46 6.123 -4.458 -10.460 1.00 0.33 H new ATOM 0 HB3 TYR A 46 6.908 -2.897 -10.316 1.00 0.33 H new ATOM 0 HD1 TYR A 46 5.791 -5.526 -12.634 1.00 1.55 H new ATOM 0 HD2 TYR A 46 7.769 -1.714 -12.303 1.00 1.55 H new ATOM 0 HE1 TYR A 46 5.415 -5.128 -15.058 1.00 1.71 H new ATOM 0 HE2 TYR A 46 7.379 -1.294 -14.721 1.00 1.65 H new ATOM 0 HH TYR A 46 6.472 -2.079 -16.630 1.00 1.31 H new ATOM 761 N ASP A 47 9.447 -5.770 -12.186 1.00 0.33 N ATOM 762 CA ASP A 47 9.734 -6.933 -13.018 1.00 0.36 C ATOM 763 C ASP A 47 10.004 -8.160 -12.153 1.00 0.35 C ATOM 764 O ASP A 47 9.642 -9.273 -12.520 1.00 0.51 O ATOM 765 CB ASP A 47 10.928 -6.670 -13.945 1.00 0.42 C ATOM 766 CG ASP A 47 10.455 -6.342 -15.353 1.00 1.18 C ATOM 767 OD1 ASP A 47 9.798 -7.232 -15.935 1.00 2.30 O ATOM 768 OD2 ASP A 47 10.771 -5.225 -15.813 1.00 2.17 O ATOM 0 H ASP A 47 10.034 -4.958 -12.376 1.00 0.33 H new ATOM 0 HA ASP A 47 8.856 -7.123 -13.635 1.00 0.36 H new ATOM 0 HB2 ASP A 47 11.523 -5.844 -13.554 1.00 0.42 H new ATOM 0 HB3 ASP A 47 11.576 -7.546 -13.969 1.00 0.42 H new ATOM 773 N LYS A 48 10.651 -7.973 -11.002 1.00 0.26 N ATOM 774 CA LYS A 48 11.068 -9.095 -10.175 1.00 0.26 C ATOM 775 C LYS A 48 9.969 -9.512 -9.195 1.00 0.24 C ATOM 776 O LYS A 48 10.108 -10.557 -8.566 1.00 0.30 O ATOM 777 CB LYS A 48 12.373 -8.755 -9.437 1.00 0.32 C ATOM 778 CG LYS A 48 13.605 -8.708 -10.358 1.00 0.43 C ATOM 779 CD LYS A 48 13.507 -7.623 -11.437 1.00 0.93 C ATOM 780 CE LYS A 48 14.876 -7.234 -11.986 1.00 1.10 C ATOM 781 NZ LYS A 48 15.446 -8.150 -12.985 1.00 1.77 N ATOM 0 H LYS A 48 10.895 -7.057 -10.626 1.00 0.26 H new ATOM 0 HA LYS A 48 11.253 -9.947 -10.829 1.00 0.26 H new ATOM 0 HB2 LYS A 48 12.261 -7.790 -8.944 1.00 0.32 H new ATOM 0 HB3 LYS A 48 12.542 -9.495 -8.655 1.00 0.32 H new ATOM 0 HG2 LYS A 48 14.496 -8.533 -9.755 1.00 0.43 H new ATOM 0 HG3 LYS A 48 13.730 -9.679 -10.837 1.00 0.43 H new ATOM 0 HD2 LYS A 48 12.878 -7.979 -12.253 1.00 0.93 H new ATOM 0 HD3 LYS A 48 13.020 -6.741 -11.021 1.00 0.93 H new ATOM 0 HE2 LYS A 48 14.800 -6.242 -12.431 1.00 1.10 H new ATOM 0 HE3 LYS A 48 15.573 -7.156 -11.152 1.00 1.10 H new ATOM 0 HZ1 LYS A 48 16.447 -7.914 -13.141 1.00 1.77 H new ATOM 0 HZ2 LYS A 48 15.371 -9.129 -12.641 1.00 1.77 H new ATOM 0 HZ3 LYS A 48 14.924 -8.056 -13.880 1.00 1.77 H new ATOM 795 N GLY A 49 8.910 -8.717 -9.010 1.00 0.24 N ATOM 796 CA GLY A 49 7.933 -8.979 -7.966 1.00 0.26 C ATOM 797 C GLY A 49 7.107 -7.733 -7.652 1.00 0.26 C ATOM 798 O GLY A 49 7.069 -6.788 -8.431 1.00 0.33 O ATOM 0 H GLY A 49 8.714 -7.889 -9.573 1.00 0.24 H new ATOM 0 HA2 GLY A 49 7.271 -9.787 -8.279 1.00 0.26 H new ATOM 0 HA3 GLY A 49 8.443 -9.316 -7.064 1.00 0.26 H new ATOM 802 N ALA A 50 6.420 -7.731 -6.514 1.00 0.23 N ATOM 803 CA ALA A 50 5.483 -6.701 -6.106 1.00 0.25 C ATOM 804 C ALA A 50 5.567 -6.562 -4.587 1.00 0.21 C ATOM 805 O ALA A 50 6.455 -7.132 -3.954 1.00 0.20 O ATOM 806 CB ALA A 50 4.075 -7.102 -6.575 1.00 0.30 C ATOM 0 H ALA A 50 6.508 -8.479 -5.826 1.00 0.23 H new ATOM 0 HA ALA A 50 5.719 -5.736 -6.554 1.00 0.25 H new ATOM 0 HB1 ALA A 50 3.360 -6.336 -6.275 1.00 0.30 H new ATOM 0 HB2 ALA A 50 4.067 -7.200 -7.661 1.00 0.30 H new ATOM 0 HB3 ALA A 50 3.798 -8.054 -6.123 1.00 0.30 H new ATOM 812 N PHE A 51 4.631 -5.834 -3.986 1.00 0.25 N ATOM 813 CA PHE A 51 4.607 -5.591 -2.554 1.00 0.25 C ATOM 814 C PHE A 51 3.245 -6.041 -2.060 1.00 0.22 C ATOM 815 O PHE A 51 2.224 -5.566 -2.555 1.00 0.21 O ATOM 816 CB PHE A 51 4.856 -4.105 -2.262 1.00 0.38 C ATOM 817 CG PHE A 51 6.301 -3.685 -2.464 1.00 0.47 C ATOM 818 CD1 PHE A 51 6.698 -3.016 -3.638 1.00 1.34 C ATOM 819 CD2 PHE A 51 7.271 -4.025 -1.503 1.00 2.08 C ATOM 820 CE1 PHE A 51 8.056 -2.743 -3.876 1.00 1.31 C ATOM 821 CE2 PHE A 51 8.626 -3.729 -1.729 1.00 2.43 C ATOM 822 CZ PHE A 51 9.023 -3.100 -2.921 1.00 1.32 C ATOM 0 H PHE A 51 3.861 -5.393 -4.488 1.00 0.25 H new ATOM 0 HA PHE A 51 5.394 -6.143 -2.040 1.00 0.25 H new ATOM 0 HB2 PHE A 51 4.217 -3.503 -2.908 1.00 0.38 H new ATOM 0 HB3 PHE A 51 4.563 -3.890 -1.234 1.00 0.38 H new ATOM 0 HD1 PHE A 51 5.955 -2.711 -4.360 1.00 1.34 H new ATOM 0 HD2 PHE A 51 6.973 -4.515 -0.588 1.00 2.08 H new ATOM 0 HE1 PHE A 51 8.356 -2.259 -4.793 1.00 1.31 H new ATOM 0 HE2 PHE A 51 9.365 -3.986 -0.984 1.00 2.43 H new ATOM 0 HZ PHE A 51 10.067 -2.892 -3.103 1.00 1.32 H new ATOM 832 N ARG A 52 3.211 -6.989 -1.123 1.00 0.27 N ATOM 833 CA ARG A 52 1.943 -7.453 -0.586 1.00 0.23 C ATOM 834 C ARG A 52 1.583 -6.567 0.580 1.00 0.21 C ATOM 835 O ARG A 52 2.436 -6.312 1.433 1.00 0.27 O ATOM 836 CB ARG A 52 2.049 -8.892 -0.105 1.00 0.29 C ATOM 837 CG ARG A 52 0.661 -9.527 -0.027 1.00 0.43 C ATOM 838 CD ARG A 52 0.770 -10.992 0.385 1.00 0.46 C ATOM 839 NE ARG A 52 -0.546 -11.555 0.720 1.00 0.86 N ATOM 840 CZ ARG A 52 -0.841 -12.861 0.697 1.00 1.38 C ATOM 841 NH1 ARG A 52 -1.985 -13.290 1.236 1.00 1.88 N ATOM 842 NH2 ARG A 52 0.003 -13.737 0.144 1.00 1.84 N ATOM 0 H ARG A 52 4.036 -7.441 -0.729 1.00 0.27 H new ATOM 0 HA ARG A 52 1.182 -7.411 -1.365 1.00 0.23 H new ATOM 0 HB2 ARG A 52 2.681 -9.464 -0.784 1.00 0.29 H new ATOM 0 HB3 ARG A 52 2.526 -8.921 0.875 1.00 0.29 H new ATOM 0 HG2 ARG A 52 0.046 -8.985 0.691 1.00 0.43 H new ATOM 0 HG3 ARG A 52 0.164 -9.450 -0.994 1.00 0.43 H new ATOM 0 HD2 ARG A 52 1.218 -11.567 -0.426 1.00 0.46 H new ATOM 0 HD3 ARG A 52 1.435 -11.081 1.244 1.00 0.46 H new ATOM 0 HE ARG A 52 -1.286 -10.906 0.989 1.00 0.86 H new ATOM 0 HH11 ARG A 52 -2.629 -12.624 1.662 1.00 1.88 H new ATOM 0 HH12 ARG A 52 -2.215 -14.284 1.221 1.00 1.88 H new ATOM 0 HH21 ARG A 52 0.879 -13.413 -0.265 1.00 1.84 H new ATOM 0 HH22 ARG A 52 -0.229 -14.730 0.131 1.00 1.84 H new ATOM 856 N ILE A 53 0.327 -6.146 0.651 1.00 0.17 N ATOM 857 CA ILE A 53 -0.133 -5.295 1.719 1.00 0.18 C ATOM 858 C ILE A 53 -1.475 -5.798 2.224 1.00 0.17 C ATOM 859 O ILE A 53 -2.192 -6.528 1.539 1.00 0.23 O ATOM 860 CB ILE A 53 -0.159 -3.826 1.262 1.00 0.19 C ATOM 861 CG1 ILE A 53 -1.200 -3.509 0.178 1.00 0.17 C ATOM 862 CG2 ILE A 53 1.220 -3.440 0.714 1.00 0.20 C ATOM 863 CD1 ILE A 53 -1.543 -2.018 0.222 1.00 0.22 C ATOM 0 H ILE A 53 -0.392 -6.388 -0.031 1.00 0.17 H new ATOM 0 HA ILE A 53 0.559 -5.334 2.560 1.00 0.18 H new ATOM 0 HB ILE A 53 -0.435 -3.252 2.147 1.00 0.19 H new ATOM 0 HG12 ILE A 53 -0.810 -3.775 -0.805 1.00 0.17 H new ATOM 0 HG13 ILE A 53 -2.099 -4.105 0.336 1.00 0.17 H new ATOM 0 HG21 ILE A 53 1.204 -2.400 0.389 1.00 0.20 H new ATOM 0 HG22 ILE A 53 1.970 -3.565 1.495 1.00 0.20 H new ATOM 0 HG23 ILE A 53 1.467 -4.080 -0.133 1.00 0.20 H new ATOM 0 HD11 ILE A 53 -2.282 -1.792 -0.547 1.00 0.22 H new ATOM 0 HD12 ILE A 53 -1.950 -1.767 1.201 1.00 0.22 H new ATOM 0 HD13 ILE A 53 -0.642 -1.432 0.043 1.00 0.22 H new ATOM 875 N GLU A 54 -1.798 -5.409 3.448 1.00 0.17 N ATOM 876 CA GLU A 54 -2.996 -5.821 4.142 1.00 0.16 C ATOM 877 C GLU A 54 -3.563 -4.549 4.747 1.00 0.18 C ATOM 878 O GLU A 54 -2.806 -3.779 5.341 1.00 0.24 O ATOM 879 CB GLU A 54 -2.571 -6.835 5.201 1.00 0.19 C ATOM 880 CG GLU A 54 -3.720 -7.392 6.041 1.00 0.30 C ATOM 881 CD GLU A 54 -3.096 -8.115 7.228 1.00 0.65 C ATOM 882 OE1 GLU A 54 -2.489 -9.185 7.001 1.00 0.84 O ATOM 883 OE2 GLU A 54 -3.046 -7.513 8.322 1.00 1.72 O ATOM 0 H GLU A 54 -1.213 -4.779 3.997 1.00 0.17 H new ATOM 0 HA GLU A 54 -3.751 -6.293 3.513 1.00 0.16 H new ATOM 0 HB2 GLU A 54 -2.062 -7.664 4.709 1.00 0.19 H new ATOM 0 HB3 GLU A 54 -1.846 -6.365 5.866 1.00 0.19 H new ATOM 0 HG2 GLU A 54 -4.374 -6.589 6.380 1.00 0.30 H new ATOM 0 HG3 GLU A 54 -4.332 -8.075 5.452 1.00 0.30 H new ATOM 890 N ILE A 55 -4.857 -4.293 4.550 1.00 0.19 N ATOM 891 CA ILE A 55 -5.484 -3.056 4.981 1.00 0.20 C ATOM 892 C ILE A 55 -6.529 -3.441 6.013 1.00 0.20 C ATOM 893 O ILE A 55 -7.560 -4.027 5.685 1.00 0.41 O ATOM 894 CB ILE A 55 -6.109 -2.282 3.803 1.00 0.21 C ATOM 895 CG1 ILE A 55 -5.195 -2.242 2.559 1.00 0.22 C ATOM 896 CG2 ILE A 55 -6.464 -0.866 4.280 1.00 0.29 C ATOM 897 CD1 ILE A 55 -5.690 -3.183 1.460 1.00 0.58 C ATOM 0 H ILE A 55 -5.494 -4.941 4.087 1.00 0.19 H new ATOM 0 HA ILE A 55 -4.743 -2.380 5.408 1.00 0.20 H new ATOM 0 HB ILE A 55 -7.010 -2.807 3.486 1.00 0.21 H new ATOM 0 HG12 ILE A 55 -5.151 -1.224 2.173 1.00 0.22 H new ATOM 0 HG13 ILE A 55 -4.180 -2.519 2.845 1.00 0.22 H new ATOM 0 HG21 ILE A 55 -6.908 -0.305 3.457 1.00 0.29 H new ATOM 0 HG22 ILE A 55 -7.176 -0.927 5.103 1.00 0.29 H new ATOM 0 HG23 ILE A 55 -5.561 -0.359 4.619 1.00 0.29 H new ATOM 0 HD11 ILE A 55 -5.020 -3.125 0.602 1.00 0.58 H new ATOM 0 HD12 ILE A 55 -5.709 -4.205 1.838 1.00 0.58 H new ATOM 0 HD13 ILE A 55 -6.695 -2.890 1.156 1.00 0.58 H new ATOM 909 N ASN A 56 -6.251 -3.157 7.278 1.00 0.36 N ATOM 910 CA ASN A 56 -7.161 -3.501 8.347 1.00 0.34 C ATOM 911 C ASN A 56 -8.179 -2.369 8.432 1.00 0.33 C ATOM 912 O ASN A 56 -7.830 -1.266 8.860 1.00 0.34 O ATOM 913 CB ASN A 56 -6.383 -3.659 9.665 1.00 0.37 C ATOM 914 CG ASN A 56 -5.101 -4.472 9.501 1.00 0.42 C ATOM 915 OD1 ASN A 56 -4.007 -3.925 9.607 1.00 1.25 O ATOM 916 ND2 ASN A 56 -5.213 -5.760 9.207 1.00 0.93 N ATOM 0 H ASN A 56 -5.398 -2.688 7.583 1.00 0.36 H new ATOM 0 HA ASN A 56 -7.666 -4.449 8.160 1.00 0.34 H new ATOM 0 HB2 ASN A 56 -6.135 -2.672 10.056 1.00 0.37 H new ATOM 0 HB3 ASN A 56 -7.023 -4.142 10.404 1.00 0.37 H new ATOM 0 HD21 ASN A 56 -4.376 -6.325 9.062 1.00 0.93 H new ATOM 0 HD22 ASN A 56 -6.136 -6.186 9.126 1.00 0.93 H new ATOM 923 N PHE A 57 -9.421 -2.622 8.008 1.00 0.33 N ATOM 924 CA PHE A 57 -10.440 -1.582 7.928 1.00 0.32 C ATOM 925 C PHE A 57 -11.596 -1.948 8.855 1.00 0.29 C ATOM 926 O PHE A 57 -12.528 -2.635 8.451 1.00 0.35 O ATOM 927 CB PHE A 57 -10.888 -1.394 6.469 1.00 0.37 C ATOM 928 CG PHE A 57 -11.016 0.035 5.985 1.00 0.45 C ATOM 929 CD1 PHE A 57 -10.793 0.300 4.628 1.00 1.34 C ATOM 930 CD2 PHE A 57 -11.343 1.094 6.849 1.00 1.95 C ATOM 931 CE1 PHE A 57 -10.914 1.604 4.121 1.00 1.24 C ATOM 932 CE2 PHE A 57 -11.433 2.406 6.352 1.00 2.25 C ATOM 933 CZ PHE A 57 -11.238 2.663 4.984 1.00 1.11 C ATOM 0 H PHE A 57 -9.742 -3.545 7.714 1.00 0.33 H new ATOM 0 HA PHE A 57 -10.037 -0.625 8.258 1.00 0.32 H new ATOM 0 HB2 PHE A 57 -10.178 -1.911 5.824 1.00 0.37 H new ATOM 0 HB3 PHE A 57 -11.852 -1.886 6.341 1.00 0.37 H new ATOM 0 HD1 PHE A 57 -10.525 -0.508 3.964 1.00 1.34 H new ATOM 0 HD2 PHE A 57 -11.525 0.900 7.896 1.00 1.95 H new ATOM 0 HE1 PHE A 57 -10.758 1.792 3.069 1.00 1.24 H new ATOM 0 HE2 PHE A 57 -11.653 3.221 7.025 1.00 2.25 H new ATOM 0 HZ PHE A 57 -11.337 3.667 4.600 1.00 1.11 H new ATOM 943 N PRO A 58 -11.542 -1.543 10.128 1.00 0.28 N ATOM 944 CA PRO A 58 -12.476 -2.036 11.121 1.00 0.31 C ATOM 945 C PRO A 58 -13.878 -1.478 10.885 1.00 0.28 C ATOM 946 O PRO A 58 -14.085 -0.556 10.096 1.00 0.26 O ATOM 947 CB PRO A 58 -11.889 -1.594 12.465 1.00 0.35 C ATOM 948 CG PRO A 58 -11.109 -0.329 12.107 1.00 0.33 C ATOM 949 CD PRO A 58 -10.556 -0.659 10.722 1.00 0.29 C ATOM 0 HA PRO A 58 -12.595 -3.119 11.080 1.00 0.31 H new ATOM 0 HB2 PRO A 58 -12.670 -1.392 13.198 1.00 0.35 H new ATOM 0 HB3 PRO A 58 -11.241 -2.359 12.892 1.00 0.35 H new ATOM 0 HG2 PRO A 58 -11.751 0.551 12.088 1.00 0.33 H new ATOM 0 HG3 PRO A 58 -10.313 -0.127 12.824 1.00 0.33 H new ATOM 0 HD2 PRO A 58 -10.423 0.243 10.124 1.00 0.29 H new ATOM 0 HD3 PRO A 58 -9.582 -1.143 10.790 1.00 0.29 H new ATOM 957 N ALA A 59 -14.853 -1.997 11.638 1.00 0.31 N ATOM 958 CA ALA A 59 -16.204 -1.453 11.647 1.00 0.32 C ATOM 959 C ALA A 59 -16.184 0.035 11.975 1.00 0.29 C ATOM 960 O ALA A 59 -17.007 0.797 11.479 1.00 0.31 O ATOM 961 CB ALA A 59 -17.067 -2.203 12.656 1.00 0.39 C ATOM 0 H ALA A 59 -14.724 -2.801 12.253 1.00 0.31 H new ATOM 0 HA ALA A 59 -16.632 -1.580 10.653 1.00 0.32 H new ATOM 0 HB1 ALA A 59 -18.075 -1.787 12.653 1.00 0.39 H new ATOM 0 HB2 ALA A 59 -17.109 -3.258 12.385 1.00 0.39 H new ATOM 0 HB3 ALA A 59 -16.635 -2.101 13.651 1.00 0.39 H new ATOM 967 N GLU A 60 -15.210 0.438 12.790 1.00 0.27 N ATOM 968 CA GLU A 60 -14.962 1.805 13.198 1.00 0.26 C ATOM 969 C GLU A 60 -14.392 2.668 12.065 1.00 0.22 C ATOM 970 O GLU A 60 -13.898 3.748 12.349 1.00 0.26 O ATOM 971 CB GLU A 60 -13.979 1.785 14.378 1.00 0.33 C ATOM 972 CG GLU A 60 -14.521 0.968 15.554 1.00 0.50 C ATOM 973 CD GLU A 60 -13.602 0.993 16.785 1.00 0.66 C ATOM 974 OE1 GLU A 60 -12.394 1.299 16.637 1.00 1.65 O ATOM 975 OE2 GLU A 60 -14.115 0.697 17.883 1.00 1.50 O ATOM 0 H GLU A 60 -14.545 -0.218 13.199 1.00 0.27 H new ATOM 0 HA GLU A 60 -15.914 2.252 13.484 1.00 0.26 H new ATOM 0 HB2 GLU A 60 -13.027 1.365 14.052 1.00 0.33 H new ATOM 0 HB3 GLU A 60 -13.782 2.806 14.705 1.00 0.33 H new ATOM 0 HG2 GLU A 60 -15.502 1.353 15.833 1.00 0.50 H new ATOM 0 HG3 GLU A 60 -14.663 -0.065 15.236 1.00 0.50 H new ATOM 982 N TYR A 61 -14.465 2.260 10.795 1.00 0.22 N ATOM 983 CA TYR A 61 -14.020 3.073 9.660 1.00 0.26 C ATOM 984 C TYR A 61 -14.504 4.533 9.749 1.00 0.28 C ATOM 985 O TYR A 61 -13.687 5.451 9.707 1.00 0.31 O ATOM 986 CB TYR A 61 -14.374 2.359 8.337 1.00 0.38 C ATOM 987 CG TYR A 61 -14.848 3.204 7.161 1.00 0.38 C ATOM 988 CD1 TYR A 61 -15.968 2.782 6.421 1.00 1.71 C ATOM 989 CD2 TYR A 61 -14.184 4.386 6.781 1.00 1.64 C ATOM 990 CE1 TYR A 61 -16.456 3.549 5.353 1.00 1.75 C ATOM 991 CE2 TYR A 61 -14.676 5.170 5.725 1.00 1.65 C ATOM 992 CZ TYR A 61 -15.835 4.773 5.018 1.00 0.52 C ATOM 993 OH TYR A 61 -16.360 5.569 4.039 1.00 0.62 O ATOM 0 H TYR A 61 -14.837 1.350 10.524 1.00 0.22 H new ATOM 0 HA TYR A 61 -12.934 3.162 9.691 1.00 0.26 H new ATOM 0 HB2 TYR A 61 -13.493 1.804 8.013 1.00 0.38 H new ATOM 0 HB3 TYR A 61 -15.151 1.626 8.553 1.00 0.38 H new ATOM 0 HD1 TYR A 61 -16.458 1.855 6.679 1.00 1.71 H new ATOM 0 HD2 TYR A 61 -13.291 4.692 7.305 1.00 1.64 H new ATOM 0 HE1 TYR A 61 -17.308 3.203 4.786 1.00 1.75 H new ATOM 0 HE2 TYR A 61 -14.166 6.082 5.451 1.00 1.65 H new ATOM 0 HH TYR A 61 -16.199 6.510 4.261 1.00 0.62 H new ATOM 1003 N PRO A 62 -15.807 4.816 9.876 1.00 0.29 N ATOM 1004 CA PRO A 62 -16.260 6.196 9.925 1.00 0.33 C ATOM 1005 C PRO A 62 -15.904 6.890 11.249 1.00 0.32 C ATOM 1006 O PRO A 62 -16.109 8.092 11.370 1.00 0.40 O ATOM 1007 CB PRO A 62 -17.768 6.127 9.682 1.00 0.39 C ATOM 1008 CG PRO A 62 -18.145 4.756 10.241 1.00 0.36 C ATOM 1009 CD PRO A 62 -16.928 3.894 9.906 1.00 0.30 C ATOM 0 HA PRO A 62 -15.762 6.807 9.172 1.00 0.33 H new ATOM 0 HB2 PRO A 62 -18.296 6.931 10.195 1.00 0.39 H new ATOM 0 HB3 PRO A 62 -18.010 6.211 8.623 1.00 0.39 H new ATOM 0 HG2 PRO A 62 -18.327 4.795 11.315 1.00 0.36 H new ATOM 0 HG3 PRO A 62 -19.052 4.368 9.778 1.00 0.36 H new ATOM 0 HD2 PRO A 62 -16.778 3.116 10.654 1.00 0.30 H new ATOM 0 HD3 PRO A 62 -17.052 3.393 8.946 1.00 0.30 H new ATOM 1017 N PHE A 63 -15.382 6.159 12.239 1.00 0.27 N ATOM 1018 CA PHE A 63 -14.895 6.667 13.518 1.00 0.28 C ATOM 1019 C PHE A 63 -13.379 6.904 13.536 1.00 0.27 C ATOM 1020 O PHE A 63 -12.918 7.713 14.336 1.00 0.32 O ATOM 1021 CB PHE A 63 -15.271 5.680 14.638 1.00 0.32 C ATOM 1022 CG PHE A 63 -16.597 5.898 15.344 1.00 0.35 C ATOM 1023 CD1 PHE A 63 -16.814 5.241 16.571 1.00 1.76 C ATOM 1024 CD2 PHE A 63 -17.598 6.745 14.825 1.00 1.67 C ATOM 1025 CE1 PHE A 63 -18.004 5.446 17.288 1.00 1.87 C ATOM 1026 CE2 PHE A 63 -18.786 6.956 15.548 1.00 1.66 C ATOM 1027 CZ PHE A 63 -18.988 6.311 16.781 1.00 0.70 C ATOM 0 H PHE A 63 -15.284 5.147 12.163 1.00 0.27 H new ATOM 0 HA PHE A 63 -15.371 7.635 13.677 1.00 0.28 H new ATOM 0 HB2 PHE A 63 -15.276 4.676 14.214 1.00 0.32 H new ATOM 0 HB3 PHE A 63 -14.481 5.706 15.389 1.00 0.32 H new ATOM 0 HD1 PHE A 63 -16.060 4.575 16.963 1.00 1.76 H new ATOM 0 HD2 PHE A 63 -17.452 7.232 13.872 1.00 1.67 H new ATOM 0 HE1 PHE A 63 -18.163 4.939 18.228 1.00 1.87 H new ATOM 0 HE2 PHE A 63 -19.545 7.616 15.155 1.00 1.66 H new ATOM 0 HZ PHE A 63 -19.898 6.480 17.337 1.00 0.70 H new ATOM 1037 N LYS A 64 -12.576 6.192 12.739 1.00 0.24 N ATOM 1038 CA LYS A 64 -11.119 6.303 12.813 1.00 0.25 C ATOM 1039 C LYS A 64 -10.502 5.796 11.510 1.00 0.24 C ATOM 1040 O LYS A 64 -11.114 4.984 10.820 1.00 0.29 O ATOM 1041 CB LYS A 64 -10.613 5.489 14.017 1.00 0.28 C ATOM 1042 CG LYS A 64 -10.682 3.982 13.745 1.00 1.36 C ATOM 1043 CD LYS A 64 -10.895 3.174 15.018 1.00 1.60 C ATOM 1044 CE LYS A 64 -9.774 3.291 16.047 1.00 2.20 C ATOM 1045 NZ LYS A 64 -10.054 2.369 17.168 1.00 2.73 N ATOM 0 H LYS A 64 -12.912 5.534 12.036 1.00 0.24 H new ATOM 0 HA LYS A 64 -10.826 7.344 12.947 1.00 0.25 H new ATOM 0 HB2 LYS A 64 -9.585 5.772 14.243 1.00 0.28 H new ATOM 0 HB3 LYS A 64 -11.210 5.729 14.897 1.00 0.28 H new ATOM 0 HG2 LYS A 64 -11.494 3.778 13.048 1.00 1.36 H new ATOM 0 HG3 LYS A 64 -9.759 3.659 13.263 1.00 1.36 H new ATOM 0 HD2 LYS A 64 -11.829 3.492 15.481 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -11.014 2.124 14.749 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -8.815 3.047 15.589 1.00 2.20 H new ATOM 0 HE3 LYS A 64 -9.702 4.316 16.411 1.00 2.20 H new ATOM 0 HZ1 LYS A 64 -9.744 2.804 18.061 1.00 2.73 H new ATOM 0 HZ2 LYS A 64 -11.075 2.177 17.213 1.00 2.73 H new ATOM 0 HZ3 LYS A 64 -9.540 1.477 17.020 1.00 2.73 H new ATOM 1059 N PRO A 65 -9.290 6.230 11.153 1.00 0.22 N ATOM 1060 CA PRO A 65 -8.656 5.766 9.936 1.00 0.22 C ATOM 1061 C PRO A 65 -8.212 4.305 10.096 1.00 0.20 C ATOM 1062 O PRO A 65 -7.959 3.853 11.214 1.00 0.23 O ATOM 1063 CB PRO A 65 -7.474 6.711 9.729 1.00 0.25 C ATOM 1064 CG PRO A 65 -7.091 7.125 11.149 1.00 0.26 C ATOM 1065 CD PRO A 65 -8.429 7.138 11.889 1.00 0.23 C ATOM 0 HA PRO A 65 -9.323 5.779 9.074 1.00 0.22 H new ATOM 0 HB2 PRO A 65 -6.648 6.214 9.220 1.00 0.25 H new ATOM 0 HB3 PRO A 65 -7.751 7.572 9.121 1.00 0.25 H new ATOM 0 HG2 PRO A 65 -6.391 6.420 11.598 1.00 0.26 H new ATOM 0 HG3 PRO A 65 -6.613 8.104 11.167 1.00 0.26 H new ATOM 0 HD2 PRO A 65 -8.309 6.813 12.922 1.00 0.23 H new ATOM 0 HD3 PRO A 65 -8.852 8.142 11.918 1.00 0.23 H new ATOM 1073 N PRO A 66 -8.104 3.559 8.988 1.00 0.21 N ATOM 1074 CA PRO A 66 -7.590 2.199 8.983 1.00 0.22 C ATOM 1075 C PRO A 66 -6.082 2.188 9.215 1.00 0.25 C ATOM 1076 O PRO A 66 -5.425 3.228 9.246 1.00 0.29 O ATOM 1077 CB PRO A 66 -7.936 1.647 7.601 1.00 0.30 C ATOM 1078 CG PRO A 66 -7.918 2.889 6.718 1.00 0.39 C ATOM 1079 CD PRO A 66 -8.427 3.995 7.642 1.00 0.29 C ATOM 0 HA PRO A 66 -8.025 1.596 9.780 1.00 0.22 H new ATOM 0 HB2 PRO A 66 -7.209 0.906 7.269 1.00 0.30 H new ATOM 0 HB3 PRO A 66 -8.912 1.161 7.594 1.00 0.30 H new ATOM 0 HG2 PRO A 66 -6.915 3.104 6.350 1.00 0.39 H new ATOM 0 HG3 PRO A 66 -8.559 2.769 5.845 1.00 0.39 H new ATOM 0 HD2 PRO A 66 -7.949 4.948 7.413 1.00 0.29 H new ATOM 0 HD3 PRO A 66 -9.501 4.141 7.524 1.00 0.29 H new ATOM 1087 N LYS A 67 -5.520 0.984 9.306 1.00 0.26 N ATOM 1088 CA LYS A 67 -4.080 0.775 9.314 1.00 0.23 C ATOM 1089 C LYS A 67 -3.751 -0.066 8.093 1.00 0.18 C ATOM 1090 O LYS A 67 -4.596 -0.813 7.604 1.00 0.30 O ATOM 1091 CB LYS A 67 -3.652 0.076 10.616 1.00 0.37 C ATOM 1092 CG LYS A 67 -3.172 1.076 11.679 1.00 0.89 C ATOM 1093 CD LYS A 67 -1.710 1.519 11.466 1.00 0.76 C ATOM 1094 CE LYS A 67 -0.828 1.040 12.632 1.00 1.43 C ATOM 1095 NZ LYS A 67 0.599 1.406 12.460 1.00 1.99 N ATOM 0 H LYS A 67 -6.059 0.121 9.377 1.00 0.26 H new ATOM 0 HA LYS A 67 -3.539 1.720 9.274 1.00 0.23 H new ATOM 0 HB2 LYS A 67 -4.490 -0.498 11.011 1.00 0.37 H new ATOM 0 HB3 LYS A 67 -2.853 -0.634 10.400 1.00 0.37 H new ATOM 0 HG2 LYS A 67 -3.819 1.953 11.664 1.00 0.89 H new ATOM 0 HG3 LYS A 67 -3.270 0.625 12.666 1.00 0.89 H new ATOM 0 HD2 LYS A 67 -1.334 1.113 10.527 1.00 0.76 H new ATOM 0 HD3 LYS A 67 -1.660 2.605 11.387 1.00 0.76 H new ATOM 0 HE2 LYS A 67 -1.199 1.469 13.563 1.00 1.43 H new ATOM 0 HE3 LYS A 67 -0.912 -0.043 12.725 1.00 1.43 H new ATOM 0 HZ1 LYS A 67 1.194 0.752 13.009 1.00 1.99 H new ATOM 0 HZ2 LYS A 67 0.854 1.345 11.454 1.00 1.99 H new ATOM 0 HZ3 LYS A 67 0.751 2.378 12.797 1.00 1.99 H new ATOM 1109 N ILE A 68 -2.517 0.044 7.612 1.00 0.14 N ATOM 1110 CA ILE A 68 -2.002 -0.815 6.562 1.00 0.14 C ATOM 1111 C ILE A 68 -0.703 -1.389 7.097 1.00 0.14 C ATOM 1112 O ILE A 68 0.022 -0.693 7.810 1.00 0.18 O ATOM 1113 CB ILE A 68 -1.758 -0.041 5.249 1.00 0.13 C ATOM 1114 CG1 ILE A 68 -2.735 1.135 5.085 1.00 0.18 C ATOM 1115 CG2 ILE A 68 -1.860 -0.989 4.052 1.00 0.17 C ATOM 1116 CD1 ILE A 68 -2.398 1.941 3.842 1.00 0.23 C ATOM 0 H ILE A 68 -1.846 0.737 7.944 1.00 0.14 H new ATOM 0 HA ILE A 68 -2.722 -1.596 6.316 1.00 0.14 H new ATOM 0 HB ILE A 68 -0.752 0.376 5.294 1.00 0.13 H new ATOM 0 HG12 ILE A 68 -3.756 0.760 5.016 1.00 0.18 H new ATOM 0 HG13 ILE A 68 -2.690 1.777 5.965 1.00 0.18 H new ATOM 0 HG21 ILE A 68 -1.686 -0.432 3.131 1.00 0.17 H new ATOM 0 HG22 ILE A 68 -1.112 -1.776 4.147 1.00 0.17 H new ATOM 0 HG23 ILE A 68 -2.854 -1.435 4.024 1.00 0.17 H new ATOM 0 HD11 ILE A 68 -3.101 2.769 3.743 1.00 0.23 H new ATOM 0 HD12 ILE A 68 -1.385 2.333 3.926 1.00 0.23 H new ATOM 0 HD13 ILE A 68 -2.467 1.300 2.963 1.00 0.23 H new ATOM 1128 N THR A 69 -0.398 -2.636 6.751 1.00 0.15 N ATOM 1129 CA THR A 69 0.920 -3.176 7.024 1.00 0.15 C ATOM 1130 C THR A 69 1.333 -4.045 5.841 1.00 0.16 C ATOM 1131 O THR A 69 0.595 -4.945 5.433 1.00 0.20 O ATOM 1132 CB THR A 69 0.908 -3.977 8.335 1.00 0.16 C ATOM 1133 OG1 THR A 69 0.135 -3.339 9.331 1.00 0.21 O ATOM 1134 CG2 THR A 69 2.327 -4.123 8.881 1.00 0.21 C ATOM 0 H THR A 69 -1.039 -3.280 6.288 1.00 0.15 H new ATOM 0 HA THR A 69 1.644 -2.370 7.148 1.00 0.15 H new ATOM 0 HB THR A 69 0.476 -4.950 8.103 1.00 0.16 H new ATOM 0 HG1 THR A 69 0.149 -3.877 10.150 1.00 0.21 H new ATOM 0 HG21 THR A 69 2.303 -4.693 9.810 1.00 0.21 H new ATOM 0 HG22 THR A 69 2.946 -4.645 8.151 1.00 0.21 H new ATOM 0 HG23 THR A 69 2.747 -3.135 9.072 1.00 0.21 H new ATOM 1142 N PHE A 70 2.501 -3.766 5.268 1.00 0.16 N ATOM 1143 CA PHE A 70 3.072 -4.582 4.216 1.00 0.15 C ATOM 1144 C PHE A 70 3.497 -5.901 4.846 1.00 0.15 C ATOM 1145 O PHE A 70 4.097 -5.921 5.918 1.00 0.19 O ATOM 1146 CB PHE A 70 4.267 -3.880 3.550 1.00 0.15 C ATOM 1147 CG PHE A 70 3.935 -2.707 2.635 1.00 0.14 C ATOM 1148 CD1 PHE A 70 3.057 -1.675 3.031 1.00 0.14 C ATOM 1149 CD2 PHE A 70 4.513 -2.653 1.351 1.00 0.17 C ATOM 1150 CE1 PHE A 70 2.780 -0.607 2.164 1.00 0.14 C ATOM 1151 CE2 PHE A 70 4.261 -1.567 0.495 1.00 0.17 C ATOM 1152 CZ PHE A 70 3.402 -0.536 0.907 1.00 0.15 C ATOM 0 H PHE A 70 3.075 -2.963 5.526 1.00 0.16 H new ATOM 0 HA PHE A 70 2.336 -4.752 3.430 1.00 0.15 H new ATOM 0 HB2 PHE A 70 4.936 -3.524 4.334 1.00 0.15 H new ATOM 0 HB3 PHE A 70 4.820 -4.620 2.971 1.00 0.15 H new ATOM 0 HD1 PHE A 70 2.596 -1.708 4.007 1.00 0.14 H new ATOM 0 HD2 PHE A 70 5.157 -3.455 1.021 1.00 0.17 H new ATOM 0 HE1 PHE A 70 2.086 0.164 2.465 1.00 0.14 H new ATOM 0 HE2 PHE A 70 4.728 -1.526 -0.478 1.00 0.17 H new ATOM 0 HZ PHE A 70 3.220 0.309 0.259 1.00 0.15 H new ATOM 1162 N LYS A 71 3.163 -7.013 4.196 1.00 0.24 N ATOM 1163 CA LYS A 71 3.638 -8.324 4.611 1.00 0.27 C ATOM 1164 C LYS A 71 5.083 -8.483 4.149 1.00 0.29 C ATOM 1165 O LYS A 71 5.920 -9.026 4.864 1.00 0.38 O ATOM 1166 CB LYS A 71 2.771 -9.428 3.992 1.00 0.28 C ATOM 1167 CG LYS A 71 1.254 -9.214 4.111 1.00 0.42 C ATOM 1168 CD LYS A 71 0.717 -9.322 5.544 1.00 0.55 C ATOM 1169 CE LYS A 71 0.735 -7.979 6.284 1.00 0.88 C ATOM 1170 NZ LYS A 71 0.084 -8.094 7.609 1.00 1.30 N ATOM 0 H LYS A 71 2.560 -7.028 3.373 1.00 0.24 H new ATOM 0 HA LYS A 71 3.577 -8.409 5.696 1.00 0.27 H new ATOM 0 HB2 LYS A 71 3.027 -9.520 2.936 1.00 0.28 H new ATOM 0 HB3 LYS A 71 3.026 -10.376 4.465 1.00 0.28 H new ATOM 0 HG2 LYS A 71 1.004 -8.230 3.714 1.00 0.42 H new ATOM 0 HG3 LYS A 71 0.744 -9.948 3.487 1.00 0.42 H new ATOM 0 HD2 LYS A 71 -0.303 -9.704 5.518 1.00 0.55 H new ATOM 0 HD3 LYS A 71 1.314 -10.046 6.098 1.00 0.55 H new ATOM 0 HE2 LYS A 71 1.764 -7.642 6.409 1.00 0.88 H new ATOM 0 HE3 LYS A 71 0.223 -7.224 5.687 1.00 0.88 H new ATOM 0 HZ1 LYS A 71 -0.227 -7.153 7.926 1.00 1.30 H new ATOM 0 HZ2 LYS A 71 -0.740 -8.725 7.538 1.00 1.30 H new ATOM 0 HZ3 LYS A 71 0.761 -8.484 8.296 1.00 1.30 H new ATOM 1184 N THR A 72 5.359 -8.058 2.919 1.00 0.28 N ATOM 1185 CA THR A 72 6.669 -8.198 2.320 1.00 0.29 C ATOM 1186 C THR A 72 7.554 -7.058 2.815 1.00 0.35 C ATOM 1187 O THR A 72 7.057 -5.958 3.050 1.00 0.48 O ATOM 1188 CB THR A 72 6.510 -8.168 0.795 1.00 0.27 C ATOM 1189 OG1 THR A 72 5.811 -6.996 0.411 1.00 0.34 O ATOM 1190 CG2 THR A 72 5.691 -9.376 0.320 1.00 0.25 C ATOM 0 H THR A 72 4.673 -7.606 2.314 1.00 0.28 H new ATOM 0 HA THR A 72 7.138 -9.142 2.600 1.00 0.29 H new ATOM 0 HB THR A 72 7.504 -8.190 0.349 1.00 0.27 H new ATOM 0 HG1 THR A 72 6.424 -6.386 -0.049 1.00 0.34 H new ATOM 0 HG21 THR A 72 5.587 -9.341 -0.764 1.00 0.25 H new ATOM 0 HG22 THR A 72 6.201 -10.296 0.606 1.00 0.25 H new ATOM 0 HG23 THR A 72 4.703 -9.350 0.781 1.00 0.25 H new ATOM 1198 N LYS A 73 8.864 -7.298 2.918 1.00 0.32 N ATOM 1199 CA LYS A 73 9.846 -6.266 3.247 1.00 0.28 C ATOM 1200 C LYS A 73 9.683 -5.068 2.313 1.00 0.38 C ATOM 1201 O LYS A 73 9.272 -5.226 1.164 1.00 0.74 O ATOM 1202 CB LYS A 73 11.263 -6.855 3.127 1.00 0.31 C ATOM 1203 CG LYS A 73 11.998 -7.099 4.452 1.00 0.75 C ATOM 1204 CD LYS A 73 11.103 -7.563 5.608 1.00 0.55 C ATOM 1205 CE LYS A 73 11.977 -8.291 6.636 1.00 0.68 C ATOM 1206 NZ LYS A 73 11.203 -8.712 7.823 1.00 1.45 N ATOM 0 H LYS A 73 9.274 -8.221 2.774 1.00 0.32 H new ATOM 0 HA LYS A 73 9.687 -5.925 4.270 1.00 0.28 H new ATOM 0 HB2 LYS A 73 11.199 -7.801 2.589 1.00 0.31 H new ATOM 0 HB3 LYS A 73 11.866 -6.182 2.517 1.00 0.31 H new ATOM 0 HG2 LYS A 73 12.774 -7.847 4.289 1.00 0.75 H new ATOM 0 HG3 LYS A 73 12.501 -6.178 4.747 1.00 0.75 H new ATOM 0 HD2 LYS A 73 10.607 -6.709 6.069 1.00 0.55 H new ATOM 0 HD3 LYS A 73 10.320 -8.226 5.239 1.00 0.55 H new ATOM 0 HE2 LYS A 73 12.431 -9.166 6.171 1.00 0.68 H new ATOM 0 HE3 LYS A 73 12.791 -7.637 6.948 1.00 0.68 H new ATOM 0 HZ1 LYS A 73 11.832 -9.200 8.492 1.00 1.45 H new ATOM 0 HZ2 LYS A 73 10.790 -7.876 8.283 1.00 1.45 H new ATOM 0 HZ3 LYS A 73 10.442 -9.357 7.530 1.00 1.45 H new ATOM 1220 N ILE A 74 10.049 -3.879 2.794 1.00 0.20 N ATOM 1221 CA ILE A 74 9.929 -2.644 2.039 1.00 0.22 C ATOM 1222 C ILE A 74 11.268 -1.931 2.024 1.00 0.23 C ATOM 1223 O ILE A 74 12.065 -2.088 2.943 1.00 0.35 O ATOM 1224 CB ILE A 74 8.823 -1.746 2.616 1.00 0.25 C ATOM 1225 CG1 ILE A 74 9.074 -1.259 4.055 1.00 0.27 C ATOM 1226 CG2 ILE A 74 7.502 -2.515 2.575 1.00 0.35 C ATOM 1227 CD1 ILE A 74 9.847 0.063 4.135 1.00 0.31 C ATOM 0 H ILE A 74 10.440 -3.752 3.728 1.00 0.20 H new ATOM 0 HA ILE A 74 9.644 -2.880 1.014 1.00 0.22 H new ATOM 0 HB ILE A 74 8.801 -0.849 1.997 1.00 0.25 H new ATOM 0 HG12 ILE A 74 8.116 -1.140 4.561 1.00 0.27 H new ATOM 0 HG13 ILE A 74 9.627 -2.026 4.597 1.00 0.27 H new ATOM 0 HG21 ILE A 74 6.705 -1.892 2.981 1.00 0.35 H new ATOM 0 HG22 ILE A 74 7.266 -2.779 1.544 1.00 0.35 H new ATOM 0 HG23 ILE A 74 7.591 -3.424 3.171 1.00 0.35 H new ATOM 0 HD11 ILE A 74 9.985 0.341 5.180 1.00 0.31 H new ATOM 0 HD12 ILE A 74 10.821 -0.055 3.659 1.00 0.31 H new ATOM 0 HD13 ILE A 74 9.286 0.844 3.623 1.00 0.31 H new ATOM 1239 N TYR A 75 11.480 -1.100 1.005 1.00 0.21 N ATOM 1240 CA TYR A 75 12.627 -0.208 0.924 1.00 0.24 C ATOM 1241 C TYR A 75 12.144 1.176 0.486 1.00 0.43 C ATOM 1242 O TYR A 75 12.848 1.917 -0.189 1.00 0.97 O ATOM 1243 CB TYR A 75 13.672 -0.816 -0.027 1.00 0.33 C ATOM 1244 CG TYR A 75 15.078 -0.793 0.531 1.00 0.73 C ATOM 1245 CD1 TYR A 75 16.122 -0.152 -0.161 1.00 1.88 C ATOM 1246 CD2 TYR A 75 15.340 -1.443 1.750 1.00 2.00 C ATOM 1247 CE1 TYR A 75 17.429 -0.175 0.361 1.00 2.30 C ATOM 1248 CE2 TYR A 75 16.643 -1.487 2.267 1.00 2.38 C ATOM 1249 CZ TYR A 75 17.698 -0.861 1.569 1.00 1.98 C ATOM 1250 OH TYR A 75 18.966 -0.930 2.063 1.00 2.59 O ATOM 0 H TYR A 75 10.851 -1.029 0.205 1.00 0.21 H new ATOM 0 HA TYR A 75 13.112 -0.090 1.893 1.00 0.24 H new ATOM 0 HB2 TYR A 75 13.394 -1.846 -0.249 1.00 0.33 H new ATOM 0 HB3 TYR A 75 13.655 -0.271 -0.971 1.00 0.33 H new ATOM 0 HD1 TYR A 75 15.921 0.357 -1.092 1.00 1.88 H new ATOM 0 HD2 TYR A 75 14.532 -1.912 2.292 1.00 2.00 H new ATOM 0 HE1 TYR A 75 18.227 0.331 -0.161 1.00 2.30 H new ATOM 0 HE2 TYR A 75 16.839 -1.999 3.198 1.00 2.38 H new ATOM 0 HH TYR A 75 18.964 -1.439 2.901 1.00 2.59 H new ATOM 1260 N HIS A 76 10.911 1.523 0.864 1.00 0.21 N ATOM 1261 CA HIS A 76 10.256 2.760 0.477 1.00 0.27 C ATOM 1262 C HIS A 76 10.084 3.580 1.744 1.00 0.24 C ATOM 1263 O HIS A 76 9.465 3.077 2.670 1.00 0.29 O ATOM 1264 CB HIS A 76 8.886 2.438 -0.135 1.00 0.39 C ATOM 1265 CG HIS A 76 8.971 1.935 -1.550 1.00 0.46 C ATOM 1266 ND1 HIS A 76 8.926 0.618 -1.986 1.00 0.59 N ATOM 1267 CD2 HIS A 76 9.066 2.745 -2.643 1.00 0.99 C ATOM 1268 CE1 HIS A 76 9.041 0.641 -3.328 1.00 0.92 C ATOM 1269 NE2 HIS A 76 9.106 1.920 -3.746 1.00 1.25 N ATOM 0 H HIS A 76 10.333 0.933 1.462 1.00 0.21 H new ATOM 0 HA HIS A 76 10.840 3.309 -0.262 1.00 0.27 H new ATOM 0 HB2 HIS A 76 8.388 1.689 0.480 1.00 0.39 H new ATOM 0 HB3 HIS A 76 8.266 3.334 -0.112 1.00 0.39 H new ATOM 0 HD2 HIS A 76 9.103 3.824 -2.644 1.00 0.99 H new ATOM 0 HE1 HIS A 76 9.076 -0.228 -3.968 1.00 0.92 H new ATOM 0 HE2 HIS A 76 9.174 2.226 -4.717 1.00 1.25 H new ATOM 1278 N PRO A 77 10.552 4.832 1.799 1.00 0.20 N ATOM 1279 CA PRO A 77 10.567 5.618 3.027 1.00 0.18 C ATOM 1280 C PRO A 77 9.170 5.895 3.573 1.00 0.15 C ATOM 1281 O PRO A 77 9.010 6.209 4.748 1.00 0.15 O ATOM 1282 CB PRO A 77 11.272 6.922 2.657 1.00 0.19 C ATOM 1283 CG PRO A 77 11.053 7.044 1.151 1.00 0.21 C ATOM 1284 CD PRO A 77 11.105 5.590 0.692 1.00 0.20 C ATOM 0 HA PRO A 77 11.076 5.075 3.823 1.00 0.18 H new ATOM 0 HB2 PRO A 77 10.848 7.771 3.192 1.00 0.19 H new ATOM 0 HB3 PRO A 77 12.333 6.887 2.905 1.00 0.19 H new ATOM 0 HG2 PRO A 77 10.096 7.510 0.916 1.00 0.21 H new ATOM 0 HG3 PRO A 77 11.826 7.648 0.676 1.00 0.21 H new ATOM 0 HD2 PRO A 77 10.524 5.442 -0.218 1.00 0.20 H new ATOM 0 HD3 PRO A 77 12.127 5.281 0.472 1.00 0.20 H new ATOM 1292 N ASN A 78 8.151 5.835 2.719 1.00 0.18 N ATOM 1293 CA ASN A 78 6.782 6.125 3.115 1.00 0.20 C ATOM 1294 C ASN A 78 6.184 5.003 3.969 1.00 0.17 C ATOM 1295 O ASN A 78 5.099 5.171 4.527 1.00 0.25 O ATOM 1296 CB ASN A 78 5.951 6.385 1.859 1.00 0.32 C ATOM 1297 CG ASN A 78 6.562 7.533 1.073 1.00 0.91 C ATOM 1298 OD1 ASN A 78 7.065 7.272 -0.122 1.00 1.94 O flip ATOM 1299 ND2 ASN A 78 6.649 8.654 1.553 1.00 1.98 N flip ATOM 0 H ASN A 78 8.254 5.584 1.736 1.00 0.18 H new ATOM 0 HA ASN A 78 6.774 7.016 3.743 1.00 0.20 H new ATOM 0 HB2 ASN A 78 5.915 5.487 1.242 1.00 0.32 H new ATOM 0 HB3 ASN A 78 4.924 6.625 2.133 1.00 0.32 H new ATOM 0 HD21 ASN A 78 6.258 8.846 2.475 1.00 1.98 H new ATOM 0 HD22 ASN A 78 7.113 9.398 1.031 1.00 1.98 H new ATOM 1306 N ILE A 79 6.876 3.865 4.071 1.00 0.13 N ATOM 1307 CA ILE A 79 6.521 2.720 4.882 1.00 0.15 C ATOM 1308 C ILE A 79 7.721 2.449 5.807 1.00 0.17 C ATOM 1309 O ILE A 79 8.837 2.897 5.550 1.00 0.24 O ATOM 1310 CB ILE A 79 6.147 1.548 3.945 1.00 0.16 C ATOM 1311 CG1 ILE A 79 5.137 2.009 2.874 1.00 0.18 C ATOM 1312 CG2 ILE A 79 5.545 0.342 4.688 1.00 0.19 C ATOM 1313 CD1 ILE A 79 5.748 2.178 1.479 1.00 0.46 C ATOM 0 H ILE A 79 7.745 3.720 3.558 1.00 0.13 H new ATOM 0 HA ILE A 79 5.647 2.879 5.513 1.00 0.15 H new ATOM 0 HB ILE A 79 7.083 1.230 3.486 1.00 0.16 H new ATOM 0 HG12 ILE A 79 4.324 1.285 2.819 1.00 0.18 H new ATOM 0 HG13 ILE A 79 4.699 2.957 3.186 1.00 0.18 H new ATOM 0 HG21 ILE A 79 5.305 -0.444 3.972 1.00 0.19 H new ATOM 0 HG22 ILE A 79 6.266 -0.035 5.413 1.00 0.19 H new ATOM 0 HG23 ILE A 79 4.637 0.650 5.206 1.00 0.19 H new ATOM 0 HD11 ILE A 79 4.977 2.504 0.781 1.00 0.46 H new ATOM 0 HD12 ILE A 79 6.541 2.924 1.517 1.00 0.46 H new ATOM 0 HD13 ILE A 79 6.161 1.226 1.145 1.00 0.46 H new ATOM 1325 N ASP A 80 7.482 1.764 6.918 1.00 0.18 N ATOM 1326 CA ASP A 80 8.438 1.396 7.949 1.00 0.22 C ATOM 1327 C ASP A 80 8.907 -0.024 7.667 1.00 0.20 C ATOM 1328 O ASP A 80 8.227 -0.777 6.973 1.00 0.20 O ATOM 1329 CB ASP A 80 7.679 1.423 9.275 1.00 0.32 C ATOM 1330 CG ASP A 80 8.442 0.897 10.482 1.00 0.50 C ATOM 1331 OD1 ASP A 80 9.678 1.078 10.514 1.00 1.16 O ATOM 1332 OD2 ASP A 80 7.765 0.277 11.338 1.00 1.48 O ATOM 0 H ASP A 80 6.544 1.427 7.136 1.00 0.18 H new ATOM 0 HA ASP A 80 9.296 2.068 7.976 1.00 0.22 H new ATOM 0 HB2 ASP A 80 7.377 2.450 9.479 1.00 0.32 H new ATOM 0 HB3 ASP A 80 6.766 0.838 9.162 1.00 0.32 H new ATOM 1337 N GLU A 81 10.035 -0.431 8.237 1.00 0.22 N ATOM 1338 CA GLU A 81 10.551 -1.783 8.062 1.00 0.23 C ATOM 1339 C GLU A 81 9.557 -2.845 8.528 1.00 0.23 C ATOM 1340 O GLU A 81 9.485 -3.925 7.942 1.00 0.27 O ATOM 1341 CB GLU A 81 11.890 -1.942 8.780 1.00 0.30 C ATOM 1342 CG GLU A 81 13.000 -1.284 7.955 1.00 0.75 C ATOM 1343 CD GLU A 81 14.351 -1.431 8.649 1.00 1.89 C ATOM 1344 OE1 GLU A 81 14.789 -0.431 9.261 1.00 3.02 O ATOM 1345 OE2 GLU A 81 14.914 -2.546 8.564 1.00 2.56 O ATOM 0 H GLU A 81 10.615 0.163 8.830 1.00 0.22 H new ATOM 0 HA GLU A 81 10.704 -1.936 6.994 1.00 0.23 H new ATOM 0 HB2 GLU A 81 11.840 -1.486 9.769 1.00 0.30 H new ATOM 0 HB3 GLU A 81 12.111 -2.999 8.927 1.00 0.30 H new ATOM 0 HG2 GLU A 81 13.043 -1.740 6.966 1.00 0.75 H new ATOM 0 HG3 GLU A 81 12.774 -0.228 7.810 1.00 0.75 H new ATOM 1352 N LYS A 82 8.742 -2.548 9.543 1.00 0.22 N ATOM 1353 CA LYS A 82 7.679 -3.453 9.975 1.00 0.24 C ATOM 1354 C LYS A 82 6.432 -3.308 9.097 1.00 0.22 C ATOM 1355 O LYS A 82 5.327 -3.601 9.542 1.00 0.26 O ATOM 1356 CB LYS A 82 7.388 -3.170 11.456 1.00 0.28 C ATOM 1357 CG LYS A 82 8.326 -3.994 12.340 1.00 0.79 C ATOM 1358 CD LYS A 82 8.458 -3.343 13.716 1.00 1.01 C ATOM 1359 CE LYS A 82 9.092 -4.346 14.683 1.00 1.36 C ATOM 1360 NZ LYS A 82 9.410 -3.730 15.989 1.00 2.03 N ATOM 0 H LYS A 82 8.800 -1.684 10.082 1.00 0.22 H new ATOM 0 HA LYS A 82 7.998 -4.490 9.865 1.00 0.24 H new ATOM 0 HB2 LYS A 82 7.518 -2.108 11.664 1.00 0.28 H new ATOM 0 HB3 LYS A 82 6.351 -3.415 11.685 1.00 0.28 H new ATOM 0 HG2 LYS A 82 7.942 -5.009 12.445 1.00 0.79 H new ATOM 0 HG3 LYS A 82 9.306 -4.071 11.870 1.00 0.79 H new ATOM 0 HD2 LYS A 82 9.071 -2.444 13.650 1.00 1.01 H new ATOM 0 HD3 LYS A 82 7.479 -3.034 14.082 1.00 1.01 H new ATOM 0 HE2 LYS A 82 8.412 -5.184 14.833 1.00 1.36 H new ATOM 0 HE3 LYS A 82 10.003 -4.750 14.241 1.00 1.36 H new ATOM 0 HZ1 LYS A 82 9.837 -4.443 16.614 1.00 2.03 H new ATOM 0 HZ2 LYS A 82 10.079 -2.946 15.849 1.00 2.03 H new ATOM 0 HZ3 LYS A 82 8.537 -3.367 16.423 1.00 2.03 H new ATOM 1374 N GLY A 83 6.571 -2.834 7.859 1.00 0.19 N ATOM 1375 CA GLY A 83 5.483 -2.668 6.919 1.00 0.19 C ATOM 1376 C GLY A 83 4.503 -1.559 7.297 1.00 0.18 C ATOM 1377 O GLY A 83 3.565 -1.324 6.540 1.00 0.18 O ATOM 0 H GLY A 83 7.474 -2.549 7.480 1.00 0.19 H new ATOM 0 HA2 GLY A 83 5.897 -2.454 5.934 1.00 0.19 H new ATOM 0 HA3 GLY A 83 4.939 -3.609 6.838 1.00 0.19 H new ATOM 1381 N GLN A 84 4.666 -0.892 8.441 1.00 0.19 N ATOM 1382 CA GLN A 84 3.703 0.099 8.895 1.00 0.21 C ATOM 1383 C GLN A 84 3.700 1.305 7.969 1.00 0.19 C ATOM 1384 O GLN A 84 4.698 1.603 7.331 1.00 0.24 O ATOM 1385 CB GLN A 84 4.064 0.591 10.293 1.00 0.23 C ATOM 1386 CG GLN A 84 3.984 -0.500 11.353 1.00 0.36 C ATOM 1387 CD GLN A 84 4.138 0.162 12.712 1.00 0.74 C ATOM 1388 OE1 GLN A 84 3.137 0.474 13.357 1.00 1.06 O ATOM 1389 NE2 GLN A 84 5.370 0.456 13.114 1.00 1.30 N ATOM 0 H GLN A 84 5.460 -1.024 9.068 1.00 0.19 H new ATOM 0 HA GLN A 84 2.722 -0.376 8.900 1.00 0.21 H new ATOM 0 HB2 GLN A 84 5.074 1.000 10.277 1.00 0.23 H new ATOM 0 HB3 GLN A 84 3.394 1.406 10.568 1.00 0.23 H new ATOM 0 HG2 GLN A 84 3.031 -1.025 11.290 1.00 0.36 H new ATOM 0 HG3 GLN A 84 4.768 -1.242 11.198 1.00 0.36 H new ATOM 0 HE21 GLN A 84 6.171 0.178 12.548 1.00 1.30 H new ATOM 0 HE22 GLN A 84 5.514 0.960 13.989 1.00 1.30 H new ATOM 1398 N VAL A 85 2.608 2.057 7.944 1.00 0.16 N ATOM 1399 CA VAL A 85 2.494 3.206 7.061 1.00 0.15 C ATOM 1400 C VAL A 85 2.117 4.453 7.855 1.00 0.16 C ATOM 1401 O VAL A 85 1.495 4.346 8.912 1.00 0.19 O ATOM 1402 CB VAL A 85 1.455 2.886 5.987 1.00 0.16 C ATOM 1403 CG1 VAL A 85 1.896 1.709 5.114 1.00 0.20 C ATOM 1404 CG2 VAL A 85 0.097 2.574 6.608 1.00 0.19 C ATOM 0 H VAL A 85 1.788 1.890 8.527 1.00 0.16 H new ATOM 0 HA VAL A 85 3.451 3.412 6.582 1.00 0.15 H new ATOM 0 HB VAL A 85 1.365 3.773 5.361 1.00 0.16 H new ATOM 0 HG11 VAL A 85 1.134 1.509 4.361 1.00 0.20 H new ATOM 0 HG12 VAL A 85 2.837 1.954 4.621 1.00 0.20 H new ATOM 0 HG13 VAL A 85 2.032 0.825 5.737 1.00 0.20 H new ATOM 0 HG21 VAL A 85 -0.621 2.350 5.819 1.00 0.19 H new ATOM 0 HG22 VAL A 85 0.189 1.713 7.270 1.00 0.19 H new ATOM 0 HG23 VAL A 85 -0.248 3.436 7.179 1.00 0.19 H new ATOM 1414 N CYS A 86 2.469 5.634 7.341 1.00 0.17 N ATOM 1415 CA CYS A 86 1.942 6.893 7.840 1.00 0.19 C ATOM 1416 C CYS A 86 1.739 7.837 6.652 1.00 0.19 C ATOM 1417 O CYS A 86 2.656 8.570 6.294 1.00 0.26 O ATOM 1418 CB CYS A 86 2.893 7.493 8.880 1.00 0.27 C ATOM 1419 SG CYS A 86 2.024 8.785 9.810 1.00 0.44 S ATOM 0 H CYS A 86 3.127 5.737 6.568 1.00 0.17 H new ATOM 0 HA CYS A 86 0.984 6.733 8.336 1.00 0.19 H new ATOM 0 HB2 CYS A 86 3.246 6.716 9.558 1.00 0.27 H new ATOM 0 HB3 CYS A 86 3.771 7.911 8.388 1.00 0.27 H new ATOM 0 HG CYS A 86 2.826 9.296 10.696 1.00 0.44 H new ATOM 1425 N LEU A 87 0.566 7.801 6.011 1.00 0.17 N ATOM 1426 CA LEU A 87 0.231 8.682 4.900 1.00 0.16 C ATOM 1427 C LEU A 87 -0.956 9.542 5.319 1.00 0.17 C ATOM 1428 O LEU A 87 -1.784 9.087 6.107 1.00 0.16 O ATOM 1429 CB LEU A 87 -0.162 7.876 3.651 1.00 0.16 C ATOM 1430 CG LEU A 87 0.919 7.006 3.014 1.00 0.16 C ATOM 1431 CD1 LEU A 87 2.234 7.757 2.878 1.00 0.20 C ATOM 1432 CD2 LEU A 87 1.162 5.691 3.744 1.00 0.15 C ATOM 0 H LEU A 87 -0.181 7.151 6.255 1.00 0.17 H new ATOM 0 HA LEU A 87 1.101 9.293 4.657 1.00 0.16 H new ATOM 0 HB2 LEU A 87 -1.002 7.233 3.914 1.00 0.16 H new ATOM 0 HB3 LEU A 87 -0.521 8.576 2.896 1.00 0.16 H new ATOM 0 HG LEU A 87 0.531 6.760 2.025 1.00 0.16 H new ATOM 0 HD11 LEU A 87 2.979 7.106 2.421 1.00 0.20 H new ATOM 0 HD12 LEU A 87 2.087 8.637 2.251 1.00 0.20 H new ATOM 0 HD13 LEU A 87 2.579 8.067 3.864 1.00 0.20 H new ATOM 0 HD21 LEU A 87 1.943 5.129 3.232 1.00 0.15 H new ATOM 0 HD22 LEU A 87 1.475 5.896 4.768 1.00 0.15 H new ATOM 0 HD23 LEU A 87 0.242 5.106 3.755 1.00 0.15 H new ATOM 1444 N PRO A 88 -1.104 10.751 4.758 1.00 0.18 N ATOM 1445 CA PRO A 88 -2.175 11.665 5.121 1.00 0.19 C ATOM 1446 C PRO A 88 -3.564 11.057 4.920 1.00 0.25 C ATOM 1447 O PRO A 88 -4.472 11.367 5.682 1.00 0.45 O ATOM 1448 CB PRO A 88 -1.955 12.933 4.294 1.00 0.23 C ATOM 1449 CG PRO A 88 -1.053 12.479 3.147 1.00 0.23 C ATOM 1450 CD PRO A 88 -0.224 11.363 3.778 1.00 0.19 C ATOM 0 HA PRO A 88 -2.143 11.893 6.186 1.00 0.19 H new ATOM 0 HB2 PRO A 88 -2.898 13.336 3.924 1.00 0.23 H new ATOM 0 HB3 PRO A 88 -1.483 13.718 4.885 1.00 0.23 H new ATOM 0 HG2 PRO A 88 -1.633 12.119 2.297 1.00 0.23 H new ATOM 0 HG3 PRO A 88 -0.424 13.292 2.783 1.00 0.23 H new ATOM 0 HD2 PRO A 88 0.098 10.639 3.030 1.00 0.19 H new ATOM 0 HD3 PRO A 88 0.677 11.758 4.248 1.00 0.19 H new ATOM 1458 N VAL A 89 -3.723 10.166 3.939 1.00 0.20 N ATOM 1459 CA VAL A 89 -4.993 9.504 3.628 1.00 0.18 C ATOM 1460 C VAL A 89 -5.584 8.788 4.846 1.00 0.17 C ATOM 1461 O VAL A 89 -6.799 8.630 4.938 1.00 0.19 O ATOM 1462 CB VAL A 89 -4.837 8.545 2.426 1.00 0.17 C ATOM 1463 CG1 VAL A 89 -4.621 9.347 1.139 1.00 0.19 C ATOM 1464 CG2 VAL A 89 -3.654 7.583 2.594 1.00 0.17 C ATOM 0 H VAL A 89 -2.959 9.879 3.327 1.00 0.20 H new ATOM 0 HA VAL A 89 -5.704 10.281 3.347 1.00 0.18 H new ATOM 0 HB VAL A 89 -5.755 7.960 2.373 1.00 0.17 H new ATOM 0 HG11 VAL A 89 -4.512 8.663 0.298 1.00 0.19 H new ATOM 0 HG12 VAL A 89 -5.478 9.999 0.968 1.00 0.19 H new ATOM 0 HG13 VAL A 89 -3.719 9.951 1.234 1.00 0.19 H new ATOM 0 HG21 VAL A 89 -3.589 6.931 1.723 1.00 0.17 H new ATOM 0 HG22 VAL A 89 -2.731 8.155 2.690 1.00 0.17 H new ATOM 0 HG23 VAL A 89 -3.801 6.979 3.489 1.00 0.17 H new ATOM 1474 N ILE A 90 -4.734 8.335 5.771 1.00 0.16 N ATOM 1475 CA ILE A 90 -5.146 7.631 6.978 1.00 0.16 C ATOM 1476 C ILE A 90 -4.489 8.245 8.214 1.00 0.17 C ATOM 1477 O ILE A 90 -4.455 7.629 9.277 1.00 0.20 O ATOM 1478 CB ILE A 90 -4.821 6.139 6.821 1.00 0.15 C ATOM 1479 CG1 ILE A 90 -3.306 5.922 6.662 1.00 0.15 C ATOM 1480 CG2 ILE A 90 -5.611 5.589 5.622 1.00 0.16 C ATOM 1481 CD1 ILE A 90 -2.967 4.451 6.461 1.00 0.16 C ATOM 0 H ILE A 90 -3.723 8.452 5.697 1.00 0.16 H new ATOM 0 HA ILE A 90 -6.222 7.732 7.120 1.00 0.16 H new ATOM 0 HB ILE A 90 -5.119 5.596 7.718 1.00 0.15 H new ATOM 0 HG12 ILE A 90 -2.943 6.499 5.811 1.00 0.15 H new ATOM 0 HG13 ILE A 90 -2.790 6.297 7.546 1.00 0.15 H new ATOM 0 HG21 ILE A 90 -5.391 4.529 5.497 1.00 0.16 H new ATOM 0 HG22 ILE A 90 -6.679 5.720 5.799 1.00 0.16 H new ATOM 0 HG23 ILE A 90 -5.324 6.128 4.719 1.00 0.16 H new ATOM 0 HD11 ILE A 90 -1.888 4.338 6.353 1.00 0.16 H new ATOM 0 HD12 ILE A 90 -3.307 3.878 7.324 1.00 0.16 H new ATOM 0 HD13 ILE A 90 -3.463 4.083 5.563 1.00 0.16 H new ATOM 1493 N SER A 91 -3.945 9.453 8.089 1.00 0.18 N ATOM 1494 CA SER A 91 -3.320 10.122 9.211 1.00 0.22 C ATOM 1495 C SER A 91 -4.416 10.572 10.169 1.00 0.25 C ATOM 1496 O SER A 91 -5.505 10.919 9.726 1.00 0.33 O ATOM 1497 CB SER A 91 -2.523 11.304 8.671 1.00 0.30 C ATOM 1498 OG SER A 91 -2.007 12.077 9.736 1.00 0.57 O ATOM 0 H SER A 91 -3.928 9.984 7.218 1.00 0.18 H new ATOM 0 HA SER A 91 -2.641 9.464 9.752 1.00 0.22 H new ATOM 0 HB2 SER A 91 -1.706 10.945 8.045 1.00 0.30 H new ATOM 0 HB3 SER A 91 -3.160 11.923 8.039 1.00 0.30 H new ATOM 0 HG SER A 91 -1.496 12.831 9.375 1.00 0.57 H new ATOM 1504 N ALA A 92 -4.140 10.605 11.474 1.00 0.28 N ATOM 1505 CA ALA A 92 -5.128 11.019 12.461 1.00 0.33 C ATOM 1506 C ALA A 92 -5.623 12.436 12.164 1.00 0.35 C ATOM 1507 O ALA A 92 -6.825 12.685 12.141 1.00 0.37 O ATOM 1508 CB ALA A 92 -4.533 10.920 13.868 1.00 0.41 C ATOM 0 H ALA A 92 -3.235 10.348 11.869 1.00 0.28 H new ATOM 0 HA ALA A 92 -5.988 10.351 12.406 1.00 0.33 H new ATOM 0 HB1 ALA A 92 -5.278 11.231 14.601 1.00 0.41 H new ATOM 0 HB2 ALA A 92 -4.237 9.890 14.066 1.00 0.41 H new ATOM 0 HB3 ALA A 92 -3.660 11.568 13.940 1.00 0.41 H new ATOM 1514 N GLU A 93 -4.703 13.366 11.902 1.00 0.41 N ATOM 1515 CA GLU A 93 -5.057 14.754 11.619 1.00 0.49 C ATOM 1516 C GLU A 93 -5.843 14.890 10.313 1.00 0.48 C ATOM 1517 O GLU A 93 -6.509 15.897 10.092 1.00 0.62 O ATOM 1518 CB GLU A 93 -3.796 15.619 11.555 1.00 0.60 C ATOM 1519 CG GLU A 93 -3.064 15.643 12.901 1.00 0.93 C ATOM 1520 CD GLU A 93 -1.934 16.673 12.892 1.00 1.41 C ATOM 1521 OE1 GLU A 93 -1.190 16.690 11.887 1.00 2.33 O ATOM 1522 OE2 GLU A 93 -1.835 17.424 13.887 1.00 2.05 O ATOM 0 H GLU A 93 -3.701 13.179 11.880 1.00 0.41 H new ATOM 0 HA GLU A 93 -5.697 15.098 12.431 1.00 0.49 H new ATOM 0 HB2 GLU A 93 -3.129 15.235 10.783 1.00 0.60 H new ATOM 0 HB3 GLU A 93 -4.065 16.635 11.267 1.00 0.60 H new ATOM 0 HG2 GLU A 93 -3.769 15.878 13.698 1.00 0.93 H new ATOM 0 HG3 GLU A 93 -2.658 14.654 13.116 1.00 0.93 H new ATOM 1529 N ASN A 94 -5.771 13.890 9.430 1.00 0.40 N ATOM 1530 CA ASN A 94 -6.521 13.879 8.182 1.00 0.44 C ATOM 1531 C ASN A 94 -7.412 12.646 8.116 1.00 0.40 C ATOM 1532 O ASN A 94 -7.713 12.131 7.041 1.00 0.47 O ATOM 1533 CB ASN A 94 -5.563 13.996 6.996 1.00 0.48 C ATOM 1534 CG ASN A 94 -5.248 15.457 6.748 1.00 1.05 C ATOM 1535 OD1 ASN A 94 -5.984 16.122 6.019 1.00 2.09 O ATOM 1536 ND2 ASN A 94 -4.201 15.973 7.380 1.00 0.80 N ATOM 0 H ASN A 94 -5.187 13.065 9.566 1.00 0.40 H new ATOM 0 HA ASN A 94 -7.184 14.743 8.137 1.00 0.44 H new ATOM 0 HB2 ASN A 94 -4.645 13.444 7.199 1.00 0.48 H new ATOM 0 HB3 ASN A 94 -6.011 13.553 6.107 1.00 0.48 H new ATOM 0 HD21 ASN A 94 -3.977 16.962 7.272 1.00 0.80 H new ATOM 0 HD22 ASN A 94 -3.621 15.380 7.974 1.00 0.80 H new ATOM 1543 N TRP A 95 -7.915 12.216 9.269 1.00 0.35 N ATOM 1544 CA TRP A 95 -8.931 11.190 9.319 1.00 0.33 C ATOM 1545 C TRP A 95 -10.196 11.768 8.692 1.00 0.33 C ATOM 1546 O TRP A 95 -10.911 12.557 9.306 1.00 0.48 O ATOM 1547 CB TRP A 95 -9.143 10.759 10.770 1.00 0.32 C ATOM 1548 CG TRP A 95 -10.472 10.139 11.071 1.00 0.30 C ATOM 1549 CD1 TRP A 95 -11.061 9.115 10.412 1.00 0.28 C ATOM 1550 CD2 TRP A 95 -11.440 10.597 12.057 1.00 0.35 C ATOM 1551 NE1 TRP A 95 -12.334 8.919 10.914 1.00 0.28 N ATOM 1552 CE2 TRP A 95 -12.634 9.839 11.902 1.00 0.34 C ATOM 1553 CE3 TRP A 95 -11.430 11.604 13.046 1.00 0.46 C ATOM 1554 CZ2 TRP A 95 -13.777 10.101 12.673 1.00 0.42 C ATOM 1555 CZ3 TRP A 95 -12.559 11.847 13.848 1.00 0.54 C ATOM 1556 CH2 TRP A 95 -13.734 11.101 13.658 1.00 0.52 C ATOM 0 H TRP A 95 -7.628 12.569 10.182 1.00 0.35 H new ATOM 0 HA TRP A 95 -8.639 10.299 8.763 1.00 0.33 H new ATOM 0 HB2 TRP A 95 -8.361 10.048 11.037 1.00 0.32 H new ATOM 0 HB3 TRP A 95 -9.015 11.630 11.412 1.00 0.32 H new ATOM 0 HD1 TRP A 95 -10.608 8.540 9.618 1.00 0.28 H new ATOM 0 HE1 TRP A 95 -12.971 8.189 10.596 1.00 0.28 H new ATOM 0 HE3 TRP A 95 -10.540 12.198 13.189 1.00 0.46 H new ATOM 0 HZ2 TRP A 95 -14.684 9.537 12.510 1.00 0.42 H new ATOM 0 HZ3 TRP A 95 -12.523 12.609 14.612 1.00 0.54 H new ATOM 0 HH2 TRP A 95 -14.603 11.296 14.269 1.00 0.52 H new ATOM 1567 N LYS A 96 -10.470 11.393 7.444 1.00 0.30 N ATOM 1568 CA LYS A 96 -11.692 11.768 6.755 1.00 0.34 C ATOM 1569 C LYS A 96 -12.517 10.493 6.641 1.00 0.30 C ATOM 1570 O LYS A 96 -12.089 9.575 5.950 1.00 0.29 O ATOM 1571 CB LYS A 96 -11.360 12.350 5.368 1.00 0.46 C ATOM 1572 CG LYS A 96 -11.173 13.879 5.363 1.00 0.62 C ATOM 1573 CD LYS A 96 -10.095 14.363 6.341 1.00 0.83 C ATOM 1574 CE LYS A 96 -9.881 15.880 6.293 1.00 1.32 C ATOM 1575 NZ LYS A 96 -8.869 16.288 5.290 1.00 2.01 N ATOM 0 H LYS A 96 -9.843 10.817 6.883 1.00 0.30 H new ATOM 0 HA LYS A 96 -12.245 12.538 7.293 1.00 0.34 H new ATOM 0 HB2 LYS A 96 -10.449 11.881 4.996 1.00 0.46 H new ATOM 0 HB3 LYS A 96 -12.159 12.089 4.674 1.00 0.46 H new ATOM 0 HG2 LYS A 96 -10.911 14.202 4.356 1.00 0.62 H new ATOM 0 HG3 LYS A 96 -12.121 14.355 5.614 1.00 0.62 H new ATOM 0 HD2 LYS A 96 -10.374 14.073 7.354 1.00 0.83 H new ATOM 0 HD3 LYS A 96 -9.154 13.861 6.114 1.00 0.83 H new ATOM 0 HE2 LYS A 96 -10.828 16.369 6.065 1.00 1.32 H new ATOM 0 HE3 LYS A 96 -9.571 16.229 7.278 1.00 1.32 H new ATOM 0 HZ1 LYS A 96 -9.009 17.288 5.042 1.00 2.01 H new ATOM 0 HZ2 LYS A 96 -7.916 16.160 5.686 1.00 2.01 H new ATOM 0 HZ3 LYS A 96 -8.971 15.703 4.436 1.00 2.01 H new ATOM 1589 N PRO A 97 -13.710 10.412 7.246 1.00 0.29 N ATOM 1590 CA PRO A 97 -14.580 9.252 7.096 1.00 0.29 C ATOM 1591 C PRO A 97 -15.118 9.133 5.665 1.00 0.35 C ATOM 1592 O PRO A 97 -15.584 8.075 5.248 1.00 0.56 O ATOM 1593 CB PRO A 97 -15.685 9.451 8.137 1.00 0.33 C ATOM 1594 CG PRO A 97 -15.766 10.968 8.291 1.00 0.35 C ATOM 1595 CD PRO A 97 -14.314 11.411 8.110 1.00 0.32 C ATOM 0 HA PRO A 97 -14.053 8.313 7.263 1.00 0.29 H new ATOM 0 HB2 PRO A 97 -16.633 9.031 7.800 1.00 0.33 H new ATOM 0 HB3 PRO A 97 -15.438 8.965 9.081 1.00 0.33 H new ATOM 0 HG2 PRO A 97 -16.420 11.415 7.543 1.00 0.35 H new ATOM 0 HG3 PRO A 97 -16.156 11.254 9.268 1.00 0.35 H new ATOM 0 HD2 PRO A 97 -14.259 12.403 7.662 1.00 0.32 H new ATOM 0 HD3 PRO A 97 -13.798 11.465 9.068 1.00 0.32 H new ATOM 1603 N ALA A 98 -15.033 10.210 4.883 1.00 0.35 N ATOM 1604 CA ALA A 98 -15.348 10.182 3.467 1.00 0.40 C ATOM 1605 C ALA A 98 -14.312 9.404 2.645 1.00 0.38 C ATOM 1606 O ALA A 98 -14.584 9.084 1.490 1.00 0.49 O ATOM 1607 CB ALA A 98 -15.443 11.624 2.970 1.00 0.47 C ATOM 0 H ALA A 98 -14.742 11.127 5.222 1.00 0.35 H new ATOM 0 HA ALA A 98 -16.296 9.661 3.336 1.00 0.40 H new ATOM 0 HB1 ALA A 98 -15.679 11.627 1.906 1.00 0.47 H new ATOM 0 HB2 ALA A 98 -16.227 12.147 3.518 1.00 0.47 H new ATOM 0 HB3 ALA A 98 -14.490 12.128 3.131 1.00 0.47 H new ATOM 1613 N THR A 99 -13.123 9.128 3.191 1.00 0.35 N ATOM 1614 CA THR A 99 -12.109 8.368 2.474 1.00 0.34 C ATOM 1615 C THR A 99 -12.533 6.902 2.388 1.00 0.33 C ATOM 1616 O THR A 99 -13.436 6.463 3.103 1.00 0.42 O ATOM 1617 CB THR A 99 -10.735 8.553 3.141 1.00 0.36 C ATOM 1618 OG1 THR A 99 -9.730 8.328 2.186 1.00 0.47 O ATOM 1619 CG2 THR A 99 -10.448 7.600 4.302 1.00 0.37 C ATOM 0 H THR A 99 -12.845 9.422 4.127 1.00 0.35 H new ATOM 0 HA THR A 99 -12.014 8.740 1.454 1.00 0.34 H new ATOM 0 HB THR A 99 -10.746 9.568 3.539 1.00 0.36 H new ATOM 0 HG1 THR A 99 -9.705 9.078 1.555 1.00 0.47 H new ATOM 0 HG21 THR A 99 -9.457 7.807 4.707 1.00 0.37 H new ATOM 0 HG22 THR A 99 -11.196 7.742 5.082 1.00 0.37 H new ATOM 0 HG23 THR A 99 -10.486 6.571 3.946 1.00 0.37 H new ATOM 1627 N LYS A 100 -11.877 6.139 1.515 1.00 0.31 N ATOM 1628 CA LYS A 100 -12.113 4.713 1.338 1.00 0.27 C ATOM 1629 C LYS A 100 -10.807 4.066 0.898 1.00 0.20 C ATOM 1630 O LYS A 100 -9.779 4.727 0.746 1.00 0.19 O ATOM 1631 CB LYS A 100 -13.215 4.448 0.292 1.00 0.37 C ATOM 1632 CG LYS A 100 -14.636 4.726 0.787 1.00 1.46 C ATOM 1633 CD LYS A 100 -15.132 6.150 0.496 1.00 1.76 C ATOM 1634 CE LYS A 100 -16.434 6.100 -0.310 1.00 2.22 C ATOM 1635 NZ LYS A 100 -16.192 5.967 -1.761 1.00 2.51 N ATOM 0 H LYS A 100 -11.151 6.506 0.899 1.00 0.31 H new ATOM 0 HA LYS A 100 -12.454 4.286 2.281 1.00 0.27 H new ATOM 0 HB2 LYS A 100 -13.022 5.065 -0.586 1.00 0.37 H new ATOM 0 HB3 LYS A 100 -13.152 3.408 -0.029 1.00 0.37 H new ATOM 0 HG2 LYS A 100 -15.317 4.013 0.323 1.00 1.46 H new ATOM 0 HG3 LYS A 100 -14.676 4.551 1.862 1.00 1.46 H new ATOM 0 HD2 LYS A 100 -15.295 6.685 1.432 1.00 1.76 H new ATOM 0 HD3 LYS A 100 -14.373 6.702 -0.059 1.00 1.76 H new ATOM 0 HE2 LYS A 100 -17.039 5.261 0.033 1.00 2.22 H new ATOM 0 HE3 LYS A 100 -17.010 7.006 -0.122 1.00 2.22 H new ATOM 0 HZ1 LYS A 100 -16.946 5.391 -2.187 1.00 2.51 H new ATOM 0 HZ2 LYS A 100 -16.186 6.910 -2.200 1.00 2.51 H new ATOM 0 HZ3 LYS A 100 -15.273 5.506 -1.919 1.00 2.51 H new ATOM 1649 N THR A 101 -10.849 2.756 0.681 1.00 0.22 N ATOM 1650 CA THR A 101 -9.715 1.995 0.206 1.00 0.22 C ATOM 1651 C THR A 101 -9.212 2.483 -1.135 1.00 0.19 C ATOM 1652 O THR A 101 -8.049 2.249 -1.428 1.00 0.25 O ATOM 1653 CB THR A 101 -10.077 0.528 0.031 1.00 0.33 C ATOM 1654 OG1 THR A 101 -11.466 0.432 -0.200 1.00 0.44 O ATOM 1655 CG2 THR A 101 -9.723 -0.309 1.252 1.00 0.48 C ATOM 0 H THR A 101 -11.685 2.192 0.834 1.00 0.22 H new ATOM 0 HA THR A 101 -8.940 2.125 0.962 1.00 0.22 H new ATOM 0 HB THR A 101 -9.503 0.141 -0.811 1.00 0.33 H new ATOM 0 HG1 THR A 101 -11.742 -0.507 -0.147 1.00 0.44 H new ATOM 0 HG21 THR A 101 -10.002 -1.348 1.074 1.00 0.48 H new ATOM 0 HG22 THR A 101 -8.650 -0.248 1.437 1.00 0.48 H new ATOM 0 HG23 THR A 101 -10.263 0.068 2.121 1.00 0.48 H new ATOM 1663 N ASP A 102 -10.037 3.112 -1.969 1.00 0.19 N ATOM 1664 CA ASP A 102 -9.541 3.633 -3.232 1.00 0.19 C ATOM 1665 C ASP A 102 -8.429 4.640 -2.937 1.00 0.18 C ATOM 1666 O ASP A 102 -7.341 4.534 -3.494 1.00 0.25 O ATOM 1667 CB ASP A 102 -10.685 4.219 -4.069 1.00 0.24 C ATOM 1668 CG ASP A 102 -11.154 5.570 -3.533 1.00 0.92 C ATOM 1669 OD1 ASP A 102 -11.517 5.588 -2.335 1.00 2.07 O ATOM 1670 OD2 ASP A 102 -11.074 6.575 -4.270 1.00 1.79 O ATOM 0 H ASP A 102 -11.030 3.269 -1.796 1.00 0.19 H new ATOM 0 HA ASP A 102 -9.118 2.832 -3.838 1.00 0.19 H new ATOM 0 HB2 ASP A 102 -10.356 4.333 -5.102 1.00 0.24 H new ATOM 0 HB3 ASP A 102 -11.523 3.522 -4.076 1.00 0.24 H new ATOM 1675 N GLN A 103 -8.670 5.554 -1.992 1.00 0.15 N ATOM 1676 CA GLN A 103 -7.720 6.574 -1.577 1.00 0.16 C ATOM 1677 C GLN A 103 -6.511 5.954 -0.903 1.00 0.17 C ATOM 1678 O GLN A 103 -5.392 6.428 -1.100 1.00 0.26 O ATOM 1679 CB GLN A 103 -8.396 7.617 -0.678 1.00 0.19 C ATOM 1680 CG GLN A 103 -9.697 8.096 -1.339 1.00 0.24 C ATOM 1681 CD GLN A 103 -10.186 9.466 -0.888 1.00 0.31 C ATOM 1682 OE1 GLN A 103 -9.654 10.088 0.027 1.00 1.03 O ATOM 1683 NE2 GLN A 103 -11.243 9.951 -1.523 1.00 1.25 N ATOM 0 H GLN A 103 -9.554 5.601 -1.486 1.00 0.15 H new ATOM 0 HA GLN A 103 -7.365 7.089 -2.469 1.00 0.16 H new ATOM 0 HB2 GLN A 103 -8.610 7.186 0.300 1.00 0.19 H new ATOM 0 HB3 GLN A 103 -7.726 8.461 -0.515 1.00 0.19 H new ATOM 0 HG2 GLN A 103 -9.551 8.117 -2.419 1.00 0.24 H new ATOM 0 HG3 GLN A 103 -10.479 7.364 -1.138 1.00 0.24 H new ATOM 0 HE21 GLN A 103 -11.671 9.419 -2.281 1.00 1.25 H new ATOM 0 HE22 GLN A 103 -11.629 10.856 -1.254 1.00 1.25 H new ATOM 1692 N VAL A 104 -6.723 4.902 -0.113 1.00 0.14 N ATOM 1693 CA VAL A 104 -5.640 4.265 0.612 1.00 0.13 C ATOM 1694 C VAL A 104 -4.688 3.606 -0.386 1.00 0.13 C ATOM 1695 O VAL A 104 -3.498 3.907 -0.415 1.00 0.13 O ATOM 1696 CB VAL A 104 -6.245 3.273 1.615 1.00 0.15 C ATOM 1697 CG1 VAL A 104 -5.166 2.457 2.303 1.00 0.17 C ATOM 1698 CG2 VAL A 104 -7.029 4.005 2.705 1.00 0.20 C ATOM 0 H VAL A 104 -7.638 4.477 0.037 1.00 0.14 H new ATOM 0 HA VAL A 104 -5.053 4.988 1.178 1.00 0.13 H new ATOM 0 HB VAL A 104 -6.905 2.619 1.044 1.00 0.15 H new ATOM 0 HG11 VAL A 104 -5.627 1.764 3.007 1.00 0.17 H new ATOM 0 HG12 VAL A 104 -4.603 1.896 1.557 1.00 0.17 H new ATOM 0 HG13 VAL A 104 -4.492 3.124 2.840 1.00 0.17 H new ATOM 0 HG21 VAL A 104 -7.447 3.279 3.402 1.00 0.20 H new ATOM 0 HG22 VAL A 104 -6.363 4.681 3.241 1.00 0.20 H new ATOM 0 HG23 VAL A 104 -7.837 4.578 2.250 1.00 0.20 H new ATOM 1708 N ILE A 105 -5.216 2.714 -1.217 1.00 0.13 N ATOM 1709 CA ILE A 105 -4.464 1.907 -2.161 1.00 0.14 C ATOM 1710 C ILE A 105 -3.733 2.816 -3.129 1.00 0.14 C ATOM 1711 O ILE A 105 -2.528 2.663 -3.318 1.00 0.15 O ATOM 1712 CB ILE A 105 -5.407 0.916 -2.871 1.00 0.14 C ATOM 1713 CG1 ILE A 105 -5.717 -0.255 -1.926 1.00 0.15 C ATOM 1714 CG2 ILE A 105 -4.878 0.377 -4.209 1.00 0.14 C ATOM 1715 CD1 ILE A 105 -4.468 -1.003 -1.430 1.00 0.16 C ATOM 0 H ILE A 105 -6.219 2.529 -1.250 1.00 0.13 H new ATOM 0 HA ILE A 105 -3.713 1.313 -1.640 1.00 0.14 H new ATOM 0 HB ILE A 105 -6.308 1.478 -3.116 1.00 0.14 H new ATOM 0 HG12 ILE A 105 -6.269 0.122 -1.065 1.00 0.15 H new ATOM 0 HG13 ILE A 105 -6.371 -0.960 -2.439 1.00 0.15 H new ATOM 0 HG21 ILE A 105 -5.606 -0.312 -4.637 1.00 0.14 H new ATOM 0 HG22 ILE A 105 -4.716 1.207 -4.897 1.00 0.14 H new ATOM 0 HG23 ILE A 105 -3.936 -0.146 -4.044 1.00 0.14 H new ATOM 0 HD11 ILE A 105 -4.769 -1.815 -0.768 1.00 0.16 H new ATOM 0 HD12 ILE A 105 -3.926 -1.412 -2.283 1.00 0.16 H new ATOM 0 HD13 ILE A 105 -3.822 -0.313 -0.887 1.00 0.16 H new ATOM 1727 N GLN A 106 -4.447 3.766 -3.734 1.00 0.14 N ATOM 1728 CA GLN A 106 -3.806 4.685 -4.661 1.00 0.16 C ATOM 1729 C GLN A 106 -2.709 5.487 -3.958 1.00 0.15 C ATOM 1730 O GLN A 106 -1.728 5.827 -4.602 1.00 0.18 O ATOM 1731 CB GLN A 106 -4.835 5.544 -5.413 1.00 0.27 C ATOM 1732 CG GLN A 106 -5.509 6.621 -4.559 1.00 0.57 C ATOM 1733 CD GLN A 106 -4.710 7.915 -4.452 1.00 1.13 C ATOM 1734 OE1 GLN A 106 -4.360 8.530 -5.450 1.00 1.83 O ATOM 1735 NE2 GLN A 106 -4.424 8.362 -3.236 1.00 1.97 N ATOM 0 H GLN A 106 -5.447 3.914 -3.600 1.00 0.14 H new ATOM 0 HA GLN A 106 -3.303 4.108 -5.438 1.00 0.16 H new ATOM 0 HB2 GLN A 106 -4.341 6.024 -6.257 1.00 0.27 H new ATOM 0 HB3 GLN A 106 -5.604 4.890 -5.824 1.00 0.27 H new ATOM 0 HG2 GLN A 106 -6.489 6.845 -4.981 1.00 0.57 H new ATOM 0 HG3 GLN A 106 -5.676 6.225 -3.557 1.00 0.57 H new ATOM 0 HE21 GLN A 106 -4.724 7.836 -2.415 1.00 1.97 H new ATOM 0 HE22 GLN A 106 -3.904 9.232 -3.122 1.00 1.97 H new ATOM 1744 N SER A 107 -2.819 5.746 -2.649 1.00 0.14 N ATOM 1745 CA SER A 107 -1.744 6.326 -1.861 1.00 0.14 C ATOM 1746 C SER A 107 -0.533 5.410 -1.889 1.00 0.14 C ATOM 1747 O SER A 107 0.536 5.858 -2.284 1.00 0.17 O ATOM 1748 CB SER A 107 -2.165 6.581 -0.410 1.00 0.15 C ATOM 1749 OG SER A 107 -1.401 7.625 0.162 1.00 0.43 O ATOM 0 H SER A 107 -3.664 5.555 -2.111 1.00 0.14 H new ATOM 0 HA SER A 107 -1.494 7.289 -2.306 1.00 0.14 H new ATOM 0 HB2 SER A 107 -3.224 6.838 -0.374 1.00 0.15 H new ATOM 0 HB3 SER A 107 -2.038 5.670 0.175 1.00 0.15 H new ATOM 0 HG SER A 107 -1.314 7.476 1.127 1.00 0.43 H new ATOM 1755 N LEU A 108 -0.657 4.140 -1.482 1.00 0.13 N ATOM 1756 CA LEU A 108 0.519 3.279 -1.469 1.00 0.15 C ATOM 1757 C LEU A 108 1.161 3.279 -2.841 1.00 0.17 C ATOM 1758 O LEU A 108 2.350 3.522 -2.951 1.00 0.25 O ATOM 1759 CB LEU A 108 0.224 1.825 -1.097 1.00 0.16 C ATOM 1760 CG LEU A 108 -0.124 1.541 0.366 1.00 0.16 C ATOM 1761 CD1 LEU A 108 0.488 2.533 1.350 1.00 0.15 C ATOM 1762 CD2 LEU A 108 -1.623 1.410 0.582 1.00 0.20 C ATOM 0 H LEU A 108 -1.525 3.704 -1.170 1.00 0.13 H new ATOM 0 HA LEU A 108 1.176 3.690 -0.703 1.00 0.15 H new ATOM 0 HB2 LEU A 108 -0.603 1.478 -1.716 1.00 0.16 H new ATOM 0 HB3 LEU A 108 1.094 1.224 -1.361 1.00 0.16 H new ATOM 0 HG LEU A 108 0.336 0.577 0.583 1.00 0.16 H new ATOM 0 HD11 LEU A 108 0.196 2.265 2.365 1.00 0.15 H new ATOM 0 HD12 LEU A 108 1.574 2.506 1.266 1.00 0.15 H new ATOM 0 HD13 LEU A 108 0.132 3.538 1.123 1.00 0.15 H new ATOM 0 HD21 LEU A 108 -1.823 1.209 1.634 1.00 0.20 H new ATOM 0 HD22 LEU A 108 -2.115 2.338 0.290 1.00 0.20 H new ATOM 0 HD23 LEU A 108 -2.008 0.589 -0.024 1.00 0.20 H new ATOM 1774 N ILE A 109 0.391 3.024 -3.890 1.00 0.17 N ATOM 1775 CA ILE A 109 0.923 2.975 -5.241 1.00 0.18 C ATOM 1776 C ILE A 109 1.619 4.282 -5.581 1.00 0.22 C ATOM 1777 O ILE A 109 2.684 4.248 -6.186 1.00 0.38 O ATOM 1778 CB ILE A 109 -0.212 2.656 -6.214 1.00 0.19 C ATOM 1779 CG1 ILE A 109 -0.618 1.202 -5.964 1.00 0.16 C ATOM 1780 CG2 ILE A 109 0.212 2.789 -7.681 1.00 0.22 C ATOM 1781 CD1 ILE A 109 -2.080 0.983 -6.327 1.00 0.17 C ATOM 0 H ILE A 109 -0.612 2.847 -3.828 1.00 0.17 H new ATOM 0 HA ILE A 109 1.671 2.187 -5.321 1.00 0.18 H new ATOM 0 HB ILE A 109 -1.025 3.362 -6.045 1.00 0.19 H new ATOM 0 HG12 ILE A 109 0.012 0.536 -6.554 1.00 0.16 H new ATOM 0 HG13 ILE A 109 -0.456 0.949 -4.916 1.00 0.16 H new ATOM 0 HG21 ILE A 109 -0.633 2.551 -8.327 1.00 0.22 H new ATOM 0 HG22 ILE A 109 0.540 3.811 -7.874 1.00 0.22 H new ATOM 0 HG23 ILE A 109 1.031 2.100 -7.887 1.00 0.22 H new ATOM 0 HD11 ILE A 109 -2.349 -0.057 -6.142 1.00 0.17 H new ATOM 0 HD12 ILE A 109 -2.708 1.634 -5.718 1.00 0.17 H new ATOM 0 HD13 ILE A 109 -2.232 1.215 -7.381 1.00 0.17 H new ATOM 1793 N ALA A 110 1.029 5.415 -5.211 1.00 0.17 N ATOM 1794 CA ALA A 110 1.539 6.745 -5.482 1.00 0.18 C ATOM 1795 C ALA A 110 2.882 6.974 -4.791 1.00 0.16 C ATOM 1796 O ALA A 110 3.758 7.591 -5.374 1.00 0.19 O ATOM 1797 CB ALA A 110 0.488 7.776 -5.046 1.00 0.19 C ATOM 0 H ALA A 110 0.149 5.426 -4.695 1.00 0.17 H new ATOM 0 HA ALA A 110 1.721 6.856 -6.551 1.00 0.18 H new ATOM 0 HB1 ALA A 110 0.860 8.781 -5.245 1.00 0.19 H new ATOM 0 HB2 ALA A 110 -0.434 7.614 -5.604 1.00 0.19 H new ATOM 0 HB3 ALA A 110 0.291 7.666 -3.980 1.00 0.19 H new ATOM 1803 N LEU A 111 3.053 6.486 -3.564 1.00 0.13 N ATOM 1804 CA LEU A 111 4.227 6.687 -2.719 1.00 0.13 C ATOM 1805 C LEU A 111 5.302 5.622 -2.941 1.00 0.20 C ATOM 1806 O LEU A 111 6.464 5.814 -2.580 1.00 0.58 O ATOM 1807 CB LEU A 111 3.793 6.635 -1.242 1.00 0.14 C ATOM 1808 CG LEU A 111 3.247 7.937 -0.628 1.00 0.15 C ATOM 1809 CD1 LEU A 111 3.761 9.207 -1.285 1.00 0.28 C ATOM 1810 CD2 LEU A 111 1.723 8.001 -0.618 1.00 0.22 C ATOM 0 H LEU A 111 2.342 5.912 -3.111 1.00 0.13 H new ATOM 0 HA LEU A 111 4.654 7.655 -2.981 1.00 0.13 H new ATOM 0 HB2 LEU A 111 3.028 5.866 -1.141 1.00 0.14 H new ATOM 0 HB3 LEU A 111 4.649 6.313 -0.649 1.00 0.14 H new ATOM 0 HG LEU A 111 3.626 7.897 0.393 1.00 0.15 H new ATOM 0 HD11 LEU A 111 3.325 10.075 -0.790 1.00 0.28 H new ATOM 0 HD12 LEU A 111 4.847 9.247 -1.199 1.00 0.28 H new ATOM 0 HD13 LEU A 111 3.480 9.211 -2.338 1.00 0.28 H new ATOM 0 HD21 LEU A 111 1.401 8.943 -0.173 1.00 0.22 H new ATOM 0 HD22 LEU A 111 1.349 7.936 -1.640 1.00 0.22 H new ATOM 0 HD23 LEU A 111 1.328 7.170 -0.034 1.00 0.22 H new ATOM 1822 N VAL A 112 4.907 4.456 -3.437 1.00 0.28 N ATOM 1823 CA VAL A 112 5.784 3.344 -3.755 1.00 0.25 C ATOM 1824 C VAL A 112 6.355 3.607 -5.150 1.00 0.28 C ATOM 1825 O VAL A 112 7.516 3.301 -5.416 1.00 0.32 O ATOM 1826 CB VAL A 112 4.988 2.029 -3.616 1.00 0.20 C ATOM 1827 CG1 VAL A 112 5.736 0.768 -4.053 1.00 0.22 C ATOM 1828 CG2 VAL A 112 4.639 1.784 -2.138 1.00 0.22 C ATOM 0 H VAL A 112 3.927 4.255 -3.635 1.00 0.28 H new ATOM 0 HA VAL A 112 6.629 3.247 -3.073 1.00 0.25 H new ATOM 0 HB VAL A 112 4.125 2.175 -4.265 1.00 0.20 H new ATOM 0 HG11 VAL A 112 5.093 -0.102 -3.917 1.00 0.22 H new ATOM 0 HG12 VAL A 112 6.012 0.855 -5.104 1.00 0.22 H new ATOM 0 HG13 VAL A 112 6.636 0.652 -3.450 1.00 0.22 H new ATOM 0 HG21 VAL A 112 4.077 0.854 -2.046 1.00 0.22 H new ATOM 0 HG22 VAL A 112 5.557 1.712 -1.554 1.00 0.22 H new ATOM 0 HG23 VAL A 112 4.035 2.611 -1.765 1.00 0.22 H new ATOM 1838 N ASN A 113 5.559 4.211 -6.035 1.00 0.28 N ATOM 1839 CA ASN A 113 6.041 4.738 -7.298 1.00 0.27 C ATOM 1840 C ASN A 113 6.924 5.950 -7.045 1.00 0.29 C ATOM 1841 O ASN A 113 8.080 5.969 -7.459 1.00 0.41 O ATOM 1842 CB ASN A 113 4.877 5.143 -8.213 1.00 0.44 C ATOM 1843 CG ASN A 113 4.509 4.016 -9.155 1.00 0.93 C ATOM 1844 OD1 ASN A 113 5.234 3.775 -10.110 1.00 1.68 O ATOM 1845 ND2 ASN A 113 3.422 3.302 -8.913 1.00 1.43 N ATOM 0 H ASN A 113 4.559 4.345 -5.888 1.00 0.28 H new ATOM 0 HA ASN A 113 6.614 3.954 -7.793 1.00 0.27 H new ATOM 0 HB2 ASN A 113 4.011 5.413 -7.608 1.00 0.44 H new ATOM 0 HB3 ASN A 113 5.153 6.027 -8.788 1.00 0.44 H new ATOM 0 HD21 ASN A 113 3.171 2.529 -9.530 1.00 1.43 H new ATOM 0 HD22 ASN A 113 2.834 3.524 -8.109 1.00 1.43 H new ATOM 1852 N ASP A 114 6.351 6.969 -6.406 1.00 0.26 N ATOM 1853 CA ASP A 114 6.918 8.312 -6.363 1.00 0.33 C ATOM 1854 C ASP A 114 7.009 8.784 -4.912 1.00 0.28 C ATOM 1855 O ASP A 114 6.077 9.379 -4.371 1.00 0.25 O ATOM 1856 CB ASP A 114 6.075 9.261 -7.223 1.00 0.41 C ATOM 1857 CG ASP A 114 6.754 10.620 -7.381 1.00 0.66 C ATOM 1858 OD1 ASP A 114 7.974 10.686 -7.108 1.00 0.87 O ATOM 1859 OD2 ASP A 114 6.058 11.562 -7.820 1.00 1.13 O ATOM 0 H ASP A 114 5.470 6.882 -5.899 1.00 0.26 H new ATOM 0 HA ASP A 114 7.927 8.304 -6.775 1.00 0.33 H new ATOM 0 HB2 ASP A 114 5.913 8.817 -8.205 1.00 0.41 H new ATOM 0 HB3 ASP A 114 5.094 9.393 -6.767 1.00 0.41 H new ATOM 1864 N PRO A 115 8.098 8.440 -4.217 1.00 0.31 N ATOM 1865 CA PRO A 115 8.191 8.667 -2.792 1.00 0.27 C ATOM 1866 C PRO A 115 8.535 10.124 -2.484 1.00 0.28 C ATOM 1867 O PRO A 115 9.335 10.738 -3.183 1.00 0.43 O ATOM 1868 CB PRO A 115 9.295 7.715 -2.321 1.00 0.32 C ATOM 1869 CG PRO A 115 10.207 7.615 -3.541 1.00 0.41 C ATOM 1870 CD PRO A 115 9.220 7.663 -4.706 1.00 0.39 C ATOM 0 HA PRO A 115 7.246 8.480 -2.281 1.00 0.27 H new ATOM 0 HB2 PRO A 115 9.824 8.109 -1.453 1.00 0.32 H new ATOM 0 HB3 PRO A 115 8.894 6.742 -2.036 1.00 0.32 H new ATOM 0 HG2 PRO A 115 10.921 8.438 -3.581 1.00 0.41 H new ATOM 0 HG3 PRO A 115 10.786 6.691 -3.539 1.00 0.41 H new ATOM 0 HD2 PRO A 115 9.669 8.127 -5.584 1.00 0.39 H new ATOM 0 HD3 PRO A 115 8.908 6.661 -5.000 1.00 0.39 H new ATOM 1878 N GLN A 116 7.987 10.664 -1.389 1.00 0.26 N ATOM 1879 CA GLN A 116 8.242 12.041 -0.986 1.00 0.31 C ATOM 1880 C GLN A 116 9.337 12.035 0.088 1.00 0.27 C ATOM 1881 O GLN A 116 9.052 11.684 1.230 1.00 0.35 O ATOM 1882 CB GLN A 116 6.951 12.728 -0.473 1.00 0.45 C ATOM 1883 CG GLN A 116 5.658 11.970 -0.803 1.00 1.46 C ATOM 1884 CD GLN A 116 4.413 12.734 -0.363 1.00 1.52 C ATOM 1885 OE1 GLN A 116 3.894 13.576 -1.083 1.00 1.91 O ATOM 1886 NE2 GLN A 116 3.885 12.432 0.817 1.00 1.90 N ATOM 0 H GLN A 116 7.359 10.158 -0.765 1.00 0.26 H new ATOM 0 HA GLN A 116 8.578 12.618 -1.848 1.00 0.31 H new ATOM 0 HB2 GLN A 116 7.022 12.848 0.608 1.00 0.45 H new ATOM 0 HB3 GLN A 116 6.891 13.729 -0.901 1.00 0.45 H new ATOM 0 HG2 GLN A 116 5.610 11.788 -1.877 1.00 1.46 H new ATOM 0 HG3 GLN A 116 5.676 10.996 -0.315 1.00 1.46 H new ATOM 0 HE21 GLN A 116 4.327 11.728 1.408 1.00 1.90 H new ATOM 0 HE22 GLN A 116 3.037 12.904 1.132 1.00 1.90 H new ATOM 1895 N PRO A 117 10.582 12.434 -0.215 1.00 0.27 N ATOM 1896 CA PRO A 117 11.622 12.549 0.798 1.00 0.27 C ATOM 1897 C PRO A 117 11.447 13.794 1.677 1.00 0.37 C ATOM 1898 O PRO A 117 12.286 14.050 2.533 1.00 0.67 O ATOM 1899 CB PRO A 117 12.942 12.555 0.019 1.00 0.36 C ATOM 1900 CG PRO A 117 12.546 13.234 -1.292 1.00 0.46 C ATOM 1901 CD PRO A 117 11.127 12.713 -1.534 1.00 0.38 C ATOM 0 HA PRO A 117 11.585 11.722 1.507 1.00 0.27 H new ATOM 0 HB2 PRO A 117 13.721 13.108 0.544 1.00 0.36 H new ATOM 0 HB3 PRO A 117 13.322 11.547 -0.144 1.00 0.36 H new ATOM 0 HG2 PRO A 117 12.568 14.320 -1.207 1.00 0.46 H new ATOM 0 HG3 PRO A 117 13.219 12.964 -2.106 1.00 0.46 H new ATOM 0 HD2 PRO A 117 10.522 13.452 -2.059 1.00 0.38 H new ATOM 0 HD3 PRO A 117 11.139 11.815 -2.151 1.00 0.38 H new ATOM 1909 N GLU A 118 10.360 14.549 1.496 1.00 0.30 N ATOM 1910 CA GLU A 118 10.014 15.748 2.221 1.00 0.37 C ATOM 1911 C GLU A 118 9.947 15.484 3.724 1.00 0.33 C ATOM 1912 O GLU A 118 10.682 16.095 4.495 1.00 0.52 O ATOM 1913 CB GLU A 118 8.675 16.229 1.642 1.00 0.51 C ATOM 1914 CG GLU A 118 8.576 17.737 1.786 1.00 1.79 C ATOM 1915 CD GLU A 118 7.294 18.311 1.176 1.00 2.11 C ATOM 1916 OE1 GLU A 118 6.534 17.523 0.569 1.00 2.46 O ATOM 1917 OE2 GLU A 118 7.108 19.541 1.303 1.00 3.05 O ATOM 0 H GLU A 118 9.661 14.313 0.791 1.00 0.30 H new ATOM 0 HA GLU A 118 10.772 16.522 2.104 1.00 0.37 H new ATOM 0 HB2 GLU A 118 8.598 15.947 0.592 1.00 0.51 H new ATOM 0 HB3 GLU A 118 7.847 15.748 2.163 1.00 0.51 H new ATOM 0 HG2 GLU A 118 8.619 18.000 2.843 1.00 1.79 H new ATOM 0 HG3 GLU A 118 9.439 18.200 1.308 1.00 1.79 H new ATOM 1924 N HIS A 119 9.066 14.573 4.144 1.00 0.21 N ATOM 1925 CA HIS A 119 8.984 14.136 5.533 1.00 0.26 C ATOM 1926 C HIS A 119 8.202 12.817 5.630 1.00 0.25 C ATOM 1927 O HIS A 119 7.064 12.786 6.101 1.00 0.33 O ATOM 1928 CB HIS A 119 8.383 15.254 6.398 1.00 0.43 C ATOM 1929 CG HIS A 119 7.136 15.891 5.837 1.00 0.79 C ATOM 1930 ND1 HIS A 119 5.901 15.295 5.744 1.00 1.95 N ATOM 1931 CD2 HIS A 119 7.030 17.158 5.332 1.00 1.50 C ATOM 1932 CE1 HIS A 119 5.062 16.192 5.199 1.00 2.27 C ATOM 1933 NE2 HIS A 119 5.701 17.343 4.939 1.00 1.85 N ATOM 0 H HIS A 119 8.391 14.120 3.528 1.00 0.21 H new ATOM 0 HA HIS A 119 9.983 13.936 5.919 1.00 0.26 H new ATOM 0 HB2 HIS A 119 8.154 14.848 7.383 1.00 0.43 H new ATOM 0 HB3 HIS A 119 9.137 16.029 6.540 1.00 0.43 H new ATOM 0 HD1 HIS A 119 5.665 14.346 6.035 1.00 1.95 H new ATOM 0 HD2 HIS A 119 7.827 17.883 5.252 1.00 1.50 H new ATOM 0 HE1 HIS A 119 4.016 16.011 4.998 1.00 2.27 H new ATOM 1941 N PRO A 120 8.794 11.716 5.150 1.00 0.21 N ATOM 1942 CA PRO A 120 8.185 10.395 5.162 1.00 0.20 C ATOM 1943 C PRO A 120 8.458 9.673 6.491 1.00 0.20 C ATOM 1944 O PRO A 120 9.048 10.243 7.405 1.00 0.26 O ATOM 1945 CB PRO A 120 8.856 9.690 3.987 1.00 0.18 C ATOM 1946 CG PRO A 120 10.279 10.234 4.050 1.00 0.19 C ATOM 1947 CD PRO A 120 10.072 11.687 4.461 1.00 0.19 C ATOM 0 HA PRO A 120 7.099 10.420 5.071 1.00 0.20 H new ATOM 0 HB2 PRO A 120 8.830 8.606 4.095 1.00 0.18 H new ATOM 0 HB3 PRO A 120 8.372 9.928 3.040 1.00 0.18 H new ATOM 0 HG2 PRO A 120 10.887 9.692 4.775 1.00 0.19 H new ATOM 0 HG3 PRO A 120 10.784 10.155 3.088 1.00 0.19 H new ATOM 0 HD2 PRO A 120 10.877 12.029 5.112 1.00 0.19 H new ATOM 0 HD3 PRO A 120 10.064 12.344 3.591 1.00 0.19 H new ATOM 1955 N LEU A 121 8.047 8.402 6.594 1.00 0.16 N ATOM 1956 CA LEU A 121 8.195 7.593 7.804 1.00 0.17 C ATOM 1957 C LEU A 121 9.667 7.429 8.172 1.00 0.19 C ATOM 1958 O LEU A 121 10.072 7.705 9.299 1.00 0.29 O ATOM 1959 CB LEU A 121 7.535 6.212 7.613 1.00 0.15 C ATOM 1960 CG LEU A 121 6.315 6.039 8.521 1.00 0.20 C ATOM 1961 CD1 LEU A 121 5.534 4.796 8.101 1.00 0.52 C ATOM 1962 CD2 LEU A 121 6.708 5.890 9.992 1.00 0.50 C ATOM 0 H LEU A 121 7.597 7.903 5.827 1.00 0.16 H new ATOM 0 HA LEU A 121 7.693 8.111 8.621 1.00 0.17 H new ATOM 0 HB2 LEU A 121 7.234 6.093 6.572 1.00 0.15 H new ATOM 0 HB3 LEU A 121 8.262 5.428 7.826 1.00 0.15 H new ATOM 0 HG LEU A 121 5.705 6.936 8.416 1.00 0.20 H new ATOM 0 HD11 LEU A 121 4.666 4.675 8.749 1.00 0.52 H new ATOM 0 HD12 LEU A 121 5.203 4.906 7.068 1.00 0.52 H new ATOM 0 HD13 LEU A 121 6.175 3.918 8.185 1.00 0.52 H new ATOM 0 HD21 LEU A 121 5.810 5.770 10.598 1.00 0.50 H new ATOM 0 HD22 LEU A 121 7.346 5.014 10.111 1.00 0.50 H new ATOM 0 HD23 LEU A 121 7.248 6.779 10.316 1.00 0.50 H new ATOM 1974 N ARG A 122 10.472 6.959 7.220 1.00 0.18 N ATOM 1975 CA ARG A 122 11.909 6.835 7.378 1.00 0.22 C ATOM 1976 C ARG A 122 12.559 7.816 6.424 1.00 0.22 C ATOM 1977 O ARG A 122 12.847 7.465 5.281 1.00 0.22 O ATOM 1978 CB ARG A 122 12.370 5.401 7.087 1.00 0.26 C ATOM 1979 CG ARG A 122 12.109 4.456 8.270 1.00 0.32 C ATOM 1980 CD ARG A 122 13.346 3.593 8.556 1.00 0.51 C ATOM 1981 NE ARG A 122 14.448 4.391 9.134 1.00 0.91 N ATOM 1982 CZ ARG A 122 14.722 4.537 10.439 1.00 1.10 C ATOM 1983 NH1 ARG A 122 15.729 5.317 10.829 1.00 1.55 N ATOM 1984 NH2 ARG A 122 13.991 3.913 11.361 1.00 1.88 N ATOM 0 H ARG A 122 10.134 6.651 6.308 1.00 0.18 H new ATOM 0 HA ARG A 122 12.198 7.058 8.405 1.00 0.22 H new ATOM 0 HB2 ARG A 122 11.852 5.027 6.204 1.00 0.26 H new ATOM 0 HB3 ARG A 122 13.435 5.404 6.854 1.00 0.26 H new ATOM 0 HG2 ARG A 122 11.851 5.036 9.156 1.00 0.32 H new ATOM 0 HG3 ARG A 122 11.255 3.815 8.049 1.00 0.32 H new ATOM 0 HD2 ARG A 122 13.079 2.790 9.243 1.00 0.51 H new ATOM 0 HD3 ARG A 122 13.683 3.123 7.632 1.00 0.51 H new ATOM 0 HE ARG A 122 15.059 4.877 8.477 1.00 0.91 H new ATOM 0 HH11 ARG A 122 16.294 5.805 10.135 1.00 1.55 H new ATOM 0 HH12 ARG A 122 15.935 5.426 11.822 1.00 1.55 H new ATOM 0 HH21 ARG A 122 13.214 3.317 11.078 1.00 1.88 H new ATOM 0 HH22 ARG A 122 14.209 4.031 12.350 1.00 1.88 H new ATOM 1998 N ALA A 123 12.822 9.030 6.912 1.00 0.24 N ATOM 1999 CA ALA A 123 13.556 10.026 6.150 1.00 0.24 C ATOM 2000 C ALA A 123 14.846 9.420 5.600 1.00 0.25 C ATOM 2001 O ALA A 123 15.153 9.648 4.442 1.00 0.24 O ATOM 2002 CB ALA A 123 13.820 11.267 7.007 1.00 0.26 C ATOM 0 H ALA A 123 12.533 9.343 7.839 1.00 0.24 H new ATOM 0 HA ALA A 123 12.955 10.345 5.299 1.00 0.24 H new ATOM 0 HB1 ALA A 123 14.371 12.003 6.421 1.00 0.26 H new ATOM 0 HB2 ALA A 123 12.871 11.696 7.329 1.00 0.26 H new ATOM 0 HB3 ALA A 123 14.407 10.987 7.882 1.00 0.26 H new ATOM 2008 N ASP A 124 15.551 8.592 6.379 1.00 0.29 N ATOM 2009 CA ASP A 124 16.769 7.884 5.967 1.00 0.33 C ATOM 2010 C ASP A 124 16.644 7.205 4.608 1.00 0.31 C ATOM 2011 O ASP A 124 17.453 7.443 3.716 1.00 0.31 O ATOM 2012 CB ASP A 124 17.114 6.800 6.993 1.00 0.52 C ATOM 2013 CG ASP A 124 17.805 7.359 8.224 1.00 1.05 C ATOM 2014 OD1 ASP A 124 18.915 7.906 8.067 1.00 2.09 O ATOM 2015 OD2 ASP A 124 17.196 7.203 9.307 1.00 2.23 O ATOM 0 H ASP A 124 15.282 8.390 7.342 1.00 0.29 H new ATOM 0 HA ASP A 124 17.547 8.644 5.900 1.00 0.33 H new ATOM 0 HB2 ASP A 124 16.201 6.287 7.295 1.00 0.52 H new ATOM 0 HB3 ASP A 124 17.758 6.055 6.526 1.00 0.52 H new ATOM 2020 N LEU A 125 15.654 6.330 4.425 1.00 0.31 N ATOM 2021 CA LEU A 125 15.486 5.646 3.149 1.00 0.32 C ATOM 2022 C LEU A 125 15.255 6.665 2.026 1.00 0.30 C ATOM 2023 O LEU A 125 15.643 6.451 0.879 1.00 0.35 O ATOM 2024 CB LEU A 125 14.334 4.638 3.249 1.00 0.36 C ATOM 2025 CG LEU A 125 14.577 3.523 4.275 1.00 0.44 C ATOM 2026 CD1 LEU A 125 13.327 2.644 4.349 1.00 1.29 C ATOM 2027 CD2 LEU A 125 15.796 2.681 3.906 1.00 1.24 C ATOM 0 H LEU A 125 14.966 6.083 5.136 1.00 0.31 H new ATOM 0 HA LEU A 125 16.395 5.095 2.908 1.00 0.32 H new ATOM 0 HB2 LEU A 125 13.420 5.170 3.513 1.00 0.36 H new ATOM 0 HB3 LEU A 125 14.170 4.189 2.269 1.00 0.36 H new ATOM 0 HG LEU A 125 14.777 3.974 5.247 1.00 0.44 H new ATOM 0 HD11 LEU A 125 13.485 1.847 5.075 1.00 1.29 H new ATOM 0 HD12 LEU A 125 12.474 3.250 4.655 1.00 1.29 H new ATOM 0 HD13 LEU A 125 13.130 2.209 3.369 1.00 1.29 H new ATOM 0 HD21 LEU A 125 15.939 1.901 4.654 1.00 1.24 H new ATOM 0 HD22 LEU A 125 15.640 2.223 2.929 1.00 1.24 H new ATOM 0 HD23 LEU A 125 16.681 3.317 3.871 1.00 1.24 H new ATOM 2039 N ALA A 126 14.626 7.787 2.365 1.00 0.25 N ATOM 2040 CA ALA A 126 14.377 8.896 1.465 1.00 0.22 C ATOM 2041 C ALA A 126 15.658 9.683 1.187 1.00 0.22 C ATOM 2042 O ALA A 126 15.777 10.311 0.141 1.00 0.23 O ATOM 2043 CB ALA A 126 13.293 9.795 2.061 1.00 0.19 C ATOM 0 H ALA A 126 14.266 7.949 3.306 1.00 0.25 H new ATOM 0 HA ALA A 126 14.030 8.506 0.508 1.00 0.22 H new ATOM 0 HB1 ALA A 126 13.102 10.631 1.387 1.00 0.19 H new ATOM 0 HB2 ALA A 126 12.377 9.220 2.195 1.00 0.19 H new ATOM 0 HB3 ALA A 126 13.626 10.176 3.026 1.00 0.19 H new ATOM 2049 N GLU A 127 16.613 9.668 2.110 1.00 0.24 N ATOM 2050 CA GLU A 127 17.887 10.347 1.990 1.00 0.24 C ATOM 2051 C GLU A 127 18.750 9.589 1.011 1.00 0.26 C ATOM 2052 O GLU A 127 19.237 10.180 0.053 1.00 0.32 O ATOM 2053 CB GLU A 127 18.602 10.466 3.336 1.00 0.28 C ATOM 2054 CG GLU A 127 17.743 11.316 4.273 1.00 0.39 C ATOM 2055 CD GLU A 127 18.440 12.599 4.727 1.00 0.63 C ATOM 2056 OE1 GLU A 127 19.147 13.195 3.879 1.00 1.61 O ATOM 2057 OE2 GLU A 127 18.257 12.985 5.900 1.00 1.77 O ATOM 0 H GLU A 127 16.513 9.164 2.991 1.00 0.24 H new ATOM 0 HA GLU A 127 17.705 11.361 1.633 1.00 0.24 H new ATOM 0 HB2 GLU A 127 18.766 9.478 3.766 1.00 0.28 H new ATOM 0 HB3 GLU A 127 19.583 10.923 3.204 1.00 0.28 H new ATOM 0 HG2 GLU A 127 16.812 11.574 3.768 1.00 0.39 H new ATOM 0 HG3 GLU A 127 17.477 10.724 5.149 1.00 0.39 H new ATOM 2064 N GLU A 128 18.928 8.282 1.216 1.00 0.26 N ATOM 2065 CA GLU A 128 19.695 7.506 0.251 1.00 0.33 C ATOM 2066 C GLU A 128 19.003 7.562 -1.103 1.00 0.28 C ATOM 2067 O GLU A 128 19.676 7.630 -2.122 1.00 0.35 O ATOM 2068 CB GLU A 128 19.951 6.063 0.703 1.00 0.52 C ATOM 2069 CG GLU A 128 20.770 5.390 -0.421 1.00 0.84 C ATOM 2070 CD GLU A 128 21.560 4.138 -0.039 1.00 1.30 C ATOM 2071 OE1 GLU A 128 20.931 3.152 0.402 1.00 2.01 O ATOM 2072 OE2 GLU A 128 22.792 4.166 -0.285 1.00 2.21 O ATOM 0 H GLU A 128 18.565 7.758 2.012 1.00 0.26 H new ATOM 0 HA GLU A 128 20.684 7.957 0.169 1.00 0.33 H new ATOM 0 HB2 GLU A 128 20.497 6.043 1.646 1.00 0.52 H new ATOM 0 HB3 GLU A 128 19.011 5.536 0.867 1.00 0.52 H new ATOM 0 HG2 GLU A 128 20.087 5.128 -1.229 1.00 0.84 H new ATOM 0 HG3 GLU A 128 21.469 6.125 -0.820 1.00 0.84 H new ATOM 2079 N TYR A 129 17.673 7.597 -1.137 1.00 0.23 N ATOM 2080 CA TYR A 129 16.972 7.745 -2.409 1.00 0.23 C ATOM 2081 C TYR A 129 17.339 9.081 -3.060 1.00 0.23 C ATOM 2082 O TYR A 129 17.686 9.150 -4.235 1.00 0.27 O ATOM 2083 CB TYR A 129 15.463 7.684 -2.152 1.00 0.23 C ATOM 2084 CG TYR A 129 14.589 7.960 -3.361 1.00 0.71 C ATOM 2085 CD1 TYR A 129 14.375 6.944 -4.303 1.00 1.71 C ATOM 2086 CD2 TYR A 129 13.977 9.215 -3.541 1.00 1.99 C ATOM 2087 CE1 TYR A 129 13.539 7.147 -5.412 1.00 2.07 C ATOM 2088 CE2 TYR A 129 13.158 9.442 -4.662 1.00 2.44 C ATOM 2089 CZ TYR A 129 12.930 8.408 -5.598 1.00 1.96 C ATOM 2090 OH TYR A 129 12.144 8.645 -6.684 1.00 2.57 O ATOM 0 H TYR A 129 17.070 7.527 -0.317 1.00 0.23 H new ATOM 0 HA TYR A 129 17.264 6.940 -3.084 1.00 0.23 H new ATOM 0 HB2 TYR A 129 15.217 6.696 -1.764 1.00 0.23 H new ATOM 0 HB3 TYR A 129 15.214 8.404 -1.372 1.00 0.23 H new ATOM 0 HD1 TYR A 129 14.862 5.989 -4.173 1.00 1.71 H new ATOM 0 HD2 TYR A 129 14.136 10.003 -2.819 1.00 1.99 H new ATOM 0 HE1 TYR A 129 13.363 6.347 -6.116 1.00 2.07 H new ATOM 0 HE2 TYR A 129 12.702 10.410 -4.808 1.00 2.44 H new ATOM 0 HH TYR A 129 11.807 9.565 -6.650 1.00 2.57 H new ATOM 2100 N SER A 130 17.225 10.166 -2.300 1.00 0.24 N ATOM 2101 CA SER A 130 17.300 11.518 -2.823 1.00 0.26 C ATOM 2102 C SER A 130 18.734 11.879 -3.190 1.00 0.34 C ATOM 2103 O SER A 130 18.940 12.749 -4.033 1.00 0.63 O ATOM 2104 CB SER A 130 16.736 12.506 -1.797 1.00 0.28 C ATOM 2105 OG SER A 130 16.593 13.785 -2.385 1.00 0.53 O ATOM 0 H SER A 130 17.076 10.126 -1.292 1.00 0.24 H new ATOM 0 HA SER A 130 16.700 11.575 -3.731 1.00 0.26 H new ATOM 0 HB2 SER A 130 15.771 12.154 -1.433 1.00 0.28 H new ATOM 0 HB3 SER A 130 17.399 12.565 -0.934 1.00 0.28 H new ATOM 0 HG SER A 130 16.231 14.411 -1.723 1.00 0.53 H new ATOM 2111 N LYS A 131 19.719 11.262 -2.536 1.00 0.28 N ATOM 2112 CA LYS A 131 21.115 11.398 -2.916 1.00 0.31 C ATOM 2113 C LYS A 131 21.378 10.512 -4.125 1.00 0.35 C ATOM 2114 O LYS A 131 22.040 10.939 -5.065 1.00 0.45 O ATOM 2115 CB LYS A 131 22.051 11.012 -1.758 1.00 0.39 C ATOM 2116 CG LYS A 131 22.356 12.184 -0.814 1.00 0.60 C ATOM 2117 CD LYS A 131 21.273 12.466 0.234 1.00 0.71 C ATOM 2118 CE LYS A 131 21.688 13.721 1.010 1.00 1.25 C ATOM 2119 NZ LYS A 131 20.843 13.970 2.197 1.00 1.84 N ATOM 0 H LYS A 131 19.566 10.656 -1.730 1.00 0.28 H new ATOM 0 HA LYS A 131 21.317 12.440 -3.163 1.00 0.31 H new ATOM 0 HB2 LYS A 131 21.598 10.202 -1.187 1.00 0.39 H new ATOM 0 HB3 LYS A 131 22.986 10.630 -2.167 1.00 0.39 H new ATOM 0 HG2 LYS A 131 23.296 11.982 -0.299 1.00 0.60 H new ATOM 0 HG3 LYS A 131 22.506 13.083 -1.411 1.00 0.60 H new ATOM 0 HD2 LYS A 131 20.306 12.616 -0.247 1.00 0.71 H new ATOM 0 HD3 LYS A 131 21.165 11.617 0.910 1.00 0.71 H new ATOM 0 HE2 LYS A 131 22.727 13.620 1.325 1.00 1.25 H new ATOM 0 HE3 LYS A 131 21.638 14.585 0.347 1.00 1.25 H new ATOM 0 HZ1 LYS A 131 20.147 14.711 1.978 1.00 1.84 H new ATOM 0 HZ2 LYS A 131 20.346 13.095 2.459 1.00 1.84 H new ATOM 0 HZ3 LYS A 131 21.441 14.280 2.990 1.00 1.84 H new ATOM 2133 N ASP A 132 20.896 9.271 -4.090 1.00 0.31 N ATOM 2134 CA ASP A 132 21.185 8.290 -5.119 1.00 0.38 C ATOM 2135 C ASP A 132 20.063 7.267 -5.282 1.00 0.31 C ATOM 2136 O ASP A 132 20.076 6.171 -4.716 1.00 0.32 O ATOM 2137 CB ASP A 132 22.483 7.545 -4.824 1.00 0.49 C ATOM 2138 CG ASP A 132 22.765 6.638 -6.024 1.00 0.68 C ATOM 2139 OD1 ASP A 132 22.939 5.417 -5.828 1.00 1.48 O ATOM 2140 OD2 ASP A 132 22.684 7.155 -7.161 1.00 1.99 O ATOM 0 H ASP A 132 20.294 8.923 -3.344 1.00 0.31 H new ATOM 0 HA ASP A 132 21.282 8.852 -6.048 1.00 0.38 H new ATOM 0 HB2 ASP A 132 23.303 8.246 -4.670 1.00 0.49 H new ATOM 0 HB3 ASP A 132 22.391 6.957 -3.911 1.00 0.49 H new ATOM 2145 N ARG A 133 19.130 7.558 -6.183 1.00 0.30 N ATOM 2146 CA ARG A 133 18.106 6.584 -6.522 1.00 0.26 C ATOM 2147 C ARG A 133 18.684 5.288 -7.075 1.00 0.26 C ATOM 2148 O ARG A 133 17.940 4.325 -7.195 1.00 0.25 O ATOM 2149 CB ARG A 133 17.110 7.131 -7.542 1.00 0.33 C ATOM 2150 CG ARG A 133 16.266 8.280 -6.986 1.00 0.55 C ATOM 2151 CD ARG A 133 16.801 9.674 -7.319 1.00 1.07 C ATOM 2152 NE ARG A 133 15.677 10.602 -7.524 1.00 1.40 N ATOM 2153 CZ ARG A 133 15.559 11.487 -8.522 1.00 1.89 C ATOM 2154 NH1 ARG A 133 14.394 12.100 -8.733 1.00 2.64 N ATOM 2155 NH2 ARG A 133 16.598 11.753 -9.317 1.00 2.61 N ATOM 0 H ARG A 133 19.064 8.445 -6.682 1.00 0.30 H new ATOM 0 HA ARG A 133 17.597 6.375 -5.581 1.00 0.26 H new ATOM 0 HB2 ARG A 133 17.651 7.476 -8.423 1.00 0.33 H new ATOM 0 HB3 ARG A 133 16.451 6.326 -7.868 1.00 0.33 H new ATOM 0 HG2 ARG A 133 15.251 8.191 -7.374 1.00 0.55 H new ATOM 0 HG3 ARG A 133 16.203 8.177 -5.903 1.00 0.55 H new ATOM 0 HD2 ARG A 133 17.438 10.032 -6.510 1.00 1.07 H new ATOM 0 HD3 ARG A 133 17.419 9.632 -8.216 1.00 1.07 H new ATOM 0 HE ARG A 133 14.918 10.568 -6.843 1.00 1.40 H new ATOM 0 HH11 ARG A 133 13.594 11.895 -8.135 1.00 2.64 H new ATOM 0 HH12 ARG A 133 14.303 12.774 -9.493 1.00 2.64 H new ATOM 0 HH21 ARG A 133 17.489 11.281 -9.166 1.00 2.61 H new ATOM 0 HH22 ARG A 133 16.500 12.428 -10.075 1.00 2.61 H new ATOM 2169 N LYS A 134 19.955 5.219 -7.470 1.00 0.30 N ATOM 2170 CA LYS A 134 20.461 4.006 -8.090 1.00 0.27 C ATOM 2171 C LYS A 134 20.581 2.892 -7.066 1.00 0.28 C ATOM 2172 O LYS A 134 20.130 1.784 -7.343 1.00 0.30 O ATOM 2173 CB LYS A 134 21.755 4.313 -8.840 1.00 0.30 C ATOM 2174 CG LYS A 134 21.312 5.035 -10.122 1.00 0.48 C ATOM 2175 CD LYS A 134 22.472 5.613 -10.922 1.00 1.53 C ATOM 2176 CE LYS A 134 21.873 6.512 -12.010 1.00 2.10 C ATOM 2177 NZ LYS A 134 22.914 7.143 -12.847 1.00 2.96 N ATOM 0 H LYS A 134 20.636 5.973 -7.373 1.00 0.30 H new ATOM 0 HA LYS A 134 19.755 3.638 -8.834 1.00 0.27 H new ATOM 0 HB2 LYS A 134 22.417 4.940 -8.243 1.00 0.30 H new ATOM 0 HB3 LYS A 134 22.303 3.400 -9.071 1.00 0.30 H new ATOM 0 HG2 LYS A 134 20.759 4.337 -10.751 1.00 0.48 H new ATOM 0 HG3 LYS A 134 20.625 5.840 -9.858 1.00 0.48 H new ATOM 0 HD2 LYS A 134 23.138 6.184 -10.275 1.00 1.53 H new ATOM 0 HD3 LYS A 134 23.067 4.815 -11.367 1.00 1.53 H new ATOM 0 HE2 LYS A 134 21.209 5.922 -12.642 1.00 2.10 H new ATOM 0 HE3 LYS A 134 21.264 7.287 -11.544 1.00 2.10 H new ATOM 0 HZ1 LYS A 134 22.464 7.741 -13.569 1.00 2.96 H new ATOM 0 HZ2 LYS A 134 23.533 7.727 -12.249 1.00 2.96 H new ATOM 0 HZ3 LYS A 134 23.479 6.405 -13.313 1.00 2.96 H new ATOM 2191 N LYS A 135 21.115 3.156 -5.875 1.00 0.31 N ATOM 2192 CA LYS A 135 21.115 2.150 -4.816 1.00 0.32 C ATOM 2193 C LYS A 135 19.703 1.847 -4.364 1.00 0.30 C ATOM 2194 O LYS A 135 19.420 0.709 -4.017 1.00 0.42 O ATOM 2195 CB LYS A 135 21.976 2.598 -3.638 1.00 0.42 C ATOM 2196 CG LYS A 135 23.443 2.537 -4.080 1.00 0.55 C ATOM 2197 CD LYS A 135 24.205 3.799 -3.685 1.00 1.14 C ATOM 2198 CE LYS A 135 24.834 3.614 -2.305 1.00 1.37 C ATOM 2199 NZ LYS A 135 25.040 4.906 -1.627 1.00 2.54 N ATOM 0 H LYS A 135 21.547 4.044 -5.622 1.00 0.31 H new ATOM 0 HA LYS A 135 21.547 1.235 -5.220 1.00 0.32 H new ATOM 0 HB2 LYS A 135 21.710 3.610 -3.334 1.00 0.42 H new ATOM 0 HB3 LYS A 135 21.810 1.952 -2.776 1.00 0.42 H new ATOM 0 HG2 LYS A 135 23.922 1.667 -3.631 1.00 0.55 H new ATOM 0 HG3 LYS A 135 23.492 2.406 -5.161 1.00 0.55 H new ATOM 0 HD2 LYS A 135 24.979 4.013 -4.422 1.00 1.14 H new ATOM 0 HD3 LYS A 135 23.530 4.654 -3.675 1.00 1.14 H new ATOM 0 HE2 LYS A 135 24.192 2.980 -1.694 1.00 1.37 H new ATOM 0 HE3 LYS A 135 25.789 3.098 -2.406 1.00 1.37 H new ATOM 0 HZ1 LYS A 135 25.946 4.890 -1.116 1.00 2.54 H new ATOM 0 HZ2 LYS A 135 25.054 5.670 -2.333 1.00 2.54 H new ATOM 0 HZ3 LYS A 135 24.266 5.072 -0.953 1.00 2.54 H new ATOM 2213 N PHE A 136 18.793 2.817 -4.368 1.00 0.27 N ATOM 2214 CA PHE A 136 17.411 2.513 -4.038 1.00 0.27 C ATOM 2215 C PHE A 136 16.848 1.513 -5.044 1.00 0.26 C ATOM 2216 O PHE A 136 16.208 0.542 -4.664 1.00 0.29 O ATOM 2217 CB PHE A 136 16.594 3.800 -4.025 1.00 0.30 C ATOM 2218 CG PHE A 136 15.098 3.591 -3.946 1.00 0.65 C ATOM 2219 CD1 PHE A 136 14.359 3.393 -5.129 1.00 2.05 C ATOM 2220 CD2 PHE A 136 14.433 3.725 -2.715 1.00 1.70 C ATOM 2221 CE1 PHE A 136 12.958 3.329 -5.083 1.00 2.42 C ATOM 2222 CE2 PHE A 136 13.030 3.690 -2.676 1.00 1.96 C ATOM 2223 CZ PHE A 136 12.297 3.496 -3.857 1.00 1.75 C ATOM 0 H PHE A 136 18.983 3.794 -4.590 1.00 0.27 H new ATOM 0 HA PHE A 136 17.359 2.063 -3.046 1.00 0.27 H new ATOM 0 HB2 PHE A 136 16.909 4.407 -3.176 1.00 0.30 H new ATOM 0 HB3 PHE A 136 16.822 4.369 -4.926 1.00 0.30 H new ATOM 0 HD1 PHE A 136 14.872 3.290 -6.074 1.00 2.05 H new ATOM 0 HD2 PHE A 136 14.998 3.854 -1.804 1.00 1.70 H new ATOM 0 HE1 PHE A 136 12.392 3.152 -5.986 1.00 2.42 H new ATOM 0 HE2 PHE A 136 12.514 3.813 -1.735 1.00 1.96 H new ATOM 0 HZ PHE A 136 11.218 3.475 -3.822 1.00 1.75 H new ATOM 2233 N CYS A 137 17.076 1.756 -6.333 1.00 0.26 N ATOM 2234 CA CYS A 137 16.563 0.945 -7.418 1.00 0.28 C ATOM 2235 C CYS A 137 17.158 -0.451 -7.353 1.00 0.25 C ATOM 2236 O CYS A 137 16.451 -1.420 -7.580 1.00 0.27 O ATOM 2237 CB CYS A 137 16.893 1.591 -8.769 1.00 0.32 C ATOM 2238 SG CYS A 137 15.559 2.719 -9.250 1.00 1.52 S ATOM 0 H CYS A 137 17.638 2.545 -6.653 1.00 0.26 H new ATOM 0 HA CYS A 137 15.480 0.875 -7.318 1.00 0.28 H new ATOM 0 HB2 CYS A 137 17.835 2.135 -8.702 1.00 0.32 H new ATOM 0 HB3 CYS A 137 17.023 0.821 -9.529 1.00 0.32 H new ATOM 0 HG CYS A 137 15.844 3.266 -10.394 1.00 1.52 H new ATOM 2244 N LYS A 138 18.458 -0.574 -7.097 1.00 0.26 N ATOM 2245 CA LYS A 138 19.114 -1.881 -7.170 1.00 0.26 C ATOM 2246 C LYS A 138 18.790 -2.683 -5.919 1.00 0.27 C ATOM 2247 O LYS A 138 18.435 -3.855 -6.003 1.00 0.30 O ATOM 2248 CB LYS A 138 20.624 -1.712 -7.401 1.00 0.31 C ATOM 2249 CG LYS A 138 21.024 -2.020 -8.853 1.00 0.67 C ATOM 2250 CD LYS A 138 20.142 -1.359 -9.932 1.00 0.98 C ATOM 2251 CE LYS A 138 20.916 -0.382 -10.820 1.00 1.66 C ATOM 2252 NZ LYS A 138 21.948 -1.064 -11.628 1.00 2.05 N ATOM 0 H LYS A 138 19.071 0.200 -6.841 1.00 0.26 H new ATOM 0 HA LYS A 138 18.734 -2.443 -8.023 1.00 0.26 H new ATOM 0 HB2 LYS A 138 20.916 -0.692 -7.153 1.00 0.31 H new ATOM 0 HB3 LYS A 138 21.170 -2.372 -6.727 1.00 0.31 H new ATOM 0 HG2 LYS A 138 22.055 -1.701 -9.004 1.00 0.67 H new ATOM 0 HG3 LYS A 138 21.000 -3.100 -8.998 1.00 0.67 H new ATOM 0 HD2 LYS A 138 19.698 -2.135 -10.556 1.00 0.98 H new ATOM 0 HD3 LYS A 138 19.321 -0.830 -9.448 1.00 0.98 H new ATOM 0 HE2 LYS A 138 20.221 0.135 -11.482 1.00 1.66 H new ATOM 0 HE3 LYS A 138 21.388 0.378 -10.197 1.00 1.66 H new ATOM 0 HZ1 LYS A 138 22.294 -0.418 -12.366 1.00 2.05 H new ATOM 0 HZ2 LYS A 138 22.739 -1.345 -11.015 1.00 2.05 H new ATOM 0 HZ3 LYS A 138 21.538 -1.910 -12.073 1.00 2.05 H new ATOM 2266 N ASN A 139 18.850 -2.040 -4.754 1.00 0.28 N ATOM 2267 CA ASN A 139 18.405 -2.672 -3.522 1.00 0.33 C ATOM 2268 C ASN A 139 16.958 -3.116 -3.673 1.00 0.28 C ATOM 2269 O ASN A 139 16.632 -4.208 -3.234 1.00 0.34 O ATOM 2270 CB ASN A 139 18.536 -1.749 -2.308 1.00 0.53 C ATOM 2271 CG ASN A 139 19.978 -1.594 -1.842 1.00 0.71 C ATOM 2272 OD1 ASN A 139 20.677 -2.577 -1.643 1.00 1.34 O ATOM 2273 ND2 ASN A 139 20.439 -0.370 -1.628 1.00 0.77 N ATOM 0 H ASN A 139 19.200 -1.089 -4.642 1.00 0.28 H new ATOM 0 HA ASN A 139 19.051 -3.532 -3.345 1.00 0.33 H new ATOM 0 HB2 ASN A 139 18.131 -0.768 -2.557 1.00 0.53 H new ATOM 0 HB3 ASN A 139 17.934 -2.144 -1.490 1.00 0.53 H new ATOM 0 HD21 ASN A 139 21.392 -0.236 -1.291 1.00 0.77 H new ATOM 0 HD22 ASN A 139 19.840 0.438 -1.800 1.00 0.77 H new ATOM 2280 N ALA A 140 16.095 -2.299 -4.287 1.00 0.25 N ATOM 2281 CA ALA A 140 14.708 -2.662 -4.540 1.00 0.25 C ATOM 2282 C ALA A 140 14.644 -3.910 -5.406 1.00 0.23 C ATOM 2283 O ALA A 140 13.932 -4.836 -5.064 1.00 0.27 O ATOM 2284 CB ALA A 140 13.926 -1.531 -5.205 1.00 0.28 C ATOM 0 H ALA A 140 16.345 -1.368 -4.620 1.00 0.25 H new ATOM 0 HA ALA A 140 14.244 -2.859 -3.573 1.00 0.25 H new ATOM 0 HB1 ALA A 140 12.897 -1.850 -5.373 1.00 0.28 H new ATOM 0 HB2 ALA A 140 13.933 -0.654 -4.558 1.00 0.28 H new ATOM 0 HB3 ALA A 140 14.389 -1.281 -6.160 1.00 0.28 H new ATOM 2290 N GLU A 141 15.366 -3.950 -6.522 1.00 0.21 N ATOM 2291 CA GLU A 141 15.428 -5.085 -7.430 1.00 0.22 C ATOM 2292 C GLU A 141 15.638 -6.389 -6.654 1.00 0.23 C ATOM 2293 O GLU A 141 14.971 -7.394 -6.904 1.00 0.28 O ATOM 2294 CB GLU A 141 16.535 -4.803 -8.465 1.00 0.28 C ATOM 2295 CG GLU A 141 16.337 -5.632 -9.729 1.00 0.70 C ATOM 2296 CD GLU A 141 17.326 -5.308 -10.860 1.00 0.84 C ATOM 2297 OE1 GLU A 141 17.266 -6.052 -11.871 1.00 2.13 O ATOM 2298 OE2 GLU A 141 18.094 -4.328 -10.725 1.00 1.19 O ATOM 0 H GLU A 141 15.942 -3.166 -6.827 1.00 0.21 H new ATOM 0 HA GLU A 141 14.486 -5.215 -7.963 1.00 0.22 H new ATOM 0 HB2 GLU A 141 16.536 -3.743 -8.719 1.00 0.28 H new ATOM 0 HB3 GLU A 141 17.509 -5.027 -8.029 1.00 0.28 H new ATOM 0 HG2 GLU A 141 16.428 -6.688 -9.475 1.00 0.70 H new ATOM 0 HG3 GLU A 141 15.322 -5.478 -10.095 1.00 0.70 H new ATOM 2305 N GLU A 142 16.534 -6.359 -5.668 1.00 0.25 N ATOM 2306 CA GLU A 142 16.815 -7.513 -4.835 1.00 0.28 C ATOM 2307 C GLU A 142 15.742 -7.724 -3.773 1.00 0.28 C ATOM 2308 O GLU A 142 15.392 -8.861 -3.490 1.00 0.34 O ATOM 2309 CB GLU A 142 18.171 -7.364 -4.145 1.00 0.33 C ATOM 2310 CG GLU A 142 19.327 -7.682 -5.101 1.00 0.52 C ATOM 2311 CD GLU A 142 20.571 -8.062 -4.302 1.00 1.07 C ATOM 2312 OE1 GLU A 142 20.503 -9.125 -3.639 1.00 1.68 O ATOM 2313 OE2 GLU A 142 21.543 -7.280 -4.304 1.00 1.97 O ATOM 0 H GLU A 142 17.081 -5.532 -5.430 1.00 0.25 H new ATOM 0 HA GLU A 142 16.827 -8.381 -5.495 1.00 0.28 H new ATOM 0 HB2 GLU A 142 18.279 -6.347 -3.768 1.00 0.33 H new ATOM 0 HB3 GLU A 142 18.217 -8.030 -3.283 1.00 0.33 H new ATOM 0 HG2 GLU A 142 19.047 -8.499 -5.765 1.00 0.52 H new ATOM 0 HG3 GLU A 142 19.538 -6.818 -5.731 1.00 0.52 H new ATOM 2320 N PHE A 143 15.250 -6.660 -3.143 1.00 0.29 N ATOM 2321 CA PHE A 143 14.287 -6.719 -2.048 1.00 0.31 C ATOM 2322 C PHE A 143 13.023 -7.401 -2.544 1.00 0.25 C ATOM 2323 O PHE A 143 12.538 -8.370 -1.961 1.00 0.26 O ATOM 2324 CB PHE A 143 13.976 -5.301 -1.538 1.00 0.39 C ATOM 2325 CG PHE A 143 14.417 -5.062 -0.113 1.00 0.95 C ATOM 2326 CD1 PHE A 143 13.472 -4.705 0.864 1.00 0.92 C ATOM 2327 CD2 PHE A 143 15.770 -5.211 0.241 1.00 1.94 C ATOM 2328 CE1 PHE A 143 13.876 -4.522 2.197 1.00 1.72 C ATOM 2329 CE2 PHE A 143 16.172 -5.028 1.576 1.00 2.74 C ATOM 2330 CZ PHE A 143 15.223 -4.691 2.556 1.00 2.60 C ATOM 0 H PHE A 143 15.518 -5.707 -3.388 1.00 0.29 H new ATOM 0 HA PHE A 143 14.703 -7.290 -1.218 1.00 0.31 H new ATOM 0 HB2 PHE A 143 14.465 -4.575 -2.188 1.00 0.39 H new ATOM 0 HB3 PHE A 143 12.903 -5.124 -1.612 1.00 0.39 H new ATOM 0 HD1 PHE A 143 12.436 -4.571 0.590 1.00 0.92 H new ATOM 0 HD2 PHE A 143 16.500 -5.466 -0.513 1.00 1.94 H new ATOM 0 HE1 PHE A 143 13.149 -4.251 2.948 1.00 1.72 H new ATOM 0 HE2 PHE A 143 17.210 -5.146 1.848 1.00 2.74 H new ATOM 0 HZ PHE A 143 15.529 -4.562 3.584 1.00 2.60 H new ATOM 2340 N THR A 144 12.530 -6.905 -3.669 1.00 0.25 N ATOM 2341 CA THR A 144 11.477 -7.497 -4.451 1.00 0.23 C ATOM 2342 C THR A 144 11.774 -8.981 -4.680 1.00 0.24 C ATOM 2343 O THR A 144 10.935 -9.832 -4.416 1.00 0.30 O ATOM 2344 CB THR A 144 11.376 -6.710 -5.761 1.00 0.24 C ATOM 2345 OG1 THR A 144 11.008 -5.372 -5.508 1.00 0.29 O ATOM 2346 CG2 THR A 144 10.320 -7.338 -6.648 1.00 0.25 C ATOM 0 H THR A 144 12.877 -6.035 -4.074 1.00 0.25 H new ATOM 0 HA THR A 144 10.518 -7.448 -3.936 1.00 0.23 H new ATOM 0 HB THR A 144 12.349 -6.732 -6.251 1.00 0.24 H new ATOM 0 HG1 THR A 144 11.810 -4.843 -5.317 1.00 0.29 H new ATOM 0 HG21 THR A 144 10.248 -6.778 -7.580 1.00 0.25 H new ATOM 0 HG22 THR A 144 10.594 -8.370 -6.865 1.00 0.25 H new ATOM 0 HG23 THR A 144 9.357 -7.318 -6.137 1.00 0.25 H new ATOM 2354 N LYS A 145 12.969 -9.316 -5.164 1.00 0.28 N ATOM 2355 CA LYS A 145 13.317 -10.699 -5.463 1.00 0.39 C ATOM 2356 C LYS A 145 13.490 -11.558 -4.205 1.00 0.40 C ATOM 2357 O LYS A 145 13.444 -12.782 -4.301 1.00 0.57 O ATOM 2358 CB LYS A 145 14.552 -10.689 -6.381 1.00 0.55 C ATOM 2359 CG LYS A 145 15.030 -12.080 -6.815 1.00 1.10 C ATOM 2360 CD LYS A 145 16.170 -12.574 -5.913 1.00 1.67 C ATOM 2361 CE LYS A 145 16.437 -14.065 -6.131 1.00 2.08 C ATOM 2362 NZ LYS A 145 17.112 -14.330 -7.419 1.00 2.85 N ATOM 0 H LYS A 145 13.712 -8.645 -5.357 1.00 0.28 H new ATOM 0 HA LYS A 145 12.492 -11.181 -5.987 1.00 0.39 H new ATOM 0 HB2 LYS A 145 14.323 -10.103 -7.271 1.00 0.55 H new ATOM 0 HB3 LYS A 145 15.368 -10.182 -5.866 1.00 0.55 H new ATOM 0 HG2 LYS A 145 14.198 -12.784 -6.775 1.00 1.10 H new ATOM 0 HG3 LYS A 145 15.369 -12.046 -7.850 1.00 1.10 H new ATOM 0 HD2 LYS A 145 17.076 -12.005 -6.122 1.00 1.67 H new ATOM 0 HD3 LYS A 145 15.915 -12.396 -4.868 1.00 1.67 H new ATOM 0 HE2 LYS A 145 17.052 -14.445 -5.316 1.00 2.08 H new ATOM 0 HE3 LYS A 145 15.493 -14.610 -6.099 1.00 2.08 H new ATOM 0 HZ1 LYS A 145 17.272 -15.352 -7.523 1.00 2.85 H new ATOM 0 HZ2 LYS A 145 16.514 -13.992 -8.200 1.00 2.85 H new ATOM 0 HZ3 LYS A 145 18.025 -13.832 -7.441 1.00 2.85 H new ATOM 2376 N LYS A 146 13.722 -10.961 -3.036 1.00 0.32 N ATOM 2377 CA LYS A 146 13.835 -11.687 -1.779 1.00 0.38 C ATOM 2378 C LYS A 146 12.434 -12.028 -1.283 1.00 0.45 C ATOM 2379 O LYS A 146 12.084 -13.193 -1.134 1.00 0.66 O ATOM 2380 CB LYS A 146 14.596 -10.845 -0.732 1.00 0.43 C ATOM 2381 CG LYS A 146 16.092 -11.168 -0.635 1.00 0.73 C ATOM 2382 CD LYS A 146 17.046 -10.169 -1.300 1.00 0.93 C ATOM 2383 CE LYS A 146 18.398 -10.321 -0.593 1.00 1.28 C ATOM 2384 NZ LYS A 146 19.508 -9.642 -1.294 1.00 1.93 N ATOM 0 H LYS A 146 13.837 -9.952 -2.938 1.00 0.32 H new ATOM 0 HA LYS A 146 14.399 -12.606 -1.936 1.00 0.38 H new ATOM 0 HB2 LYS A 146 14.478 -9.789 -0.976 1.00 0.43 H new ATOM 0 HB3 LYS A 146 14.138 -10.999 0.245 1.00 0.43 H new ATOM 0 HG2 LYS A 146 16.358 -11.245 0.419 1.00 0.73 H new ATOM 0 HG3 LYS A 146 16.260 -12.149 -1.079 1.00 0.73 H new ATOM 0 HD2 LYS A 146 17.141 -10.374 -2.366 1.00 0.93 H new ATOM 0 HD3 LYS A 146 16.670 -9.150 -1.203 1.00 0.93 H new ATOM 0 HE2 LYS A 146 18.318 -9.921 0.418 1.00 1.28 H new ATOM 0 HE3 LYS A 146 18.633 -11.381 -0.498 1.00 1.28 H new ATOM 0 HZ1 LYS A 146 20.413 -10.057 -0.994 1.00 1.93 H new ATOM 0 HZ2 LYS A 146 19.395 -9.762 -2.321 1.00 1.93 H new ATOM 0 HZ3 LYS A 146 19.497 -8.628 -1.061 1.00 1.93 H new ATOM 2398 N TYR A 147 11.672 -10.991 -0.947 1.00 0.32 N ATOM 2399 CA TYR A 147 10.405 -11.061 -0.240 1.00 0.33 C ATOM 2400 C TYR A 147 9.254 -10.404 -0.980 1.00 0.30 C ATOM 2401 O TYR A 147 8.122 -10.563 -0.538 1.00 0.46 O ATOM 2402 CB TYR A 147 10.562 -10.373 1.119 1.00 0.39 C ATOM 2403 CG TYR A 147 10.887 -11.251 2.303 1.00 0.46 C ATOM 2404 CD1 TYR A 147 10.794 -10.675 3.577 1.00 1.58 C ATOM 2405 CD2 TYR A 147 11.201 -12.617 2.177 1.00 1.95 C ATOM 2406 CE1 TYR A 147 10.980 -11.449 4.728 1.00 1.63 C ATOM 2407 CE2 TYR A 147 11.392 -13.400 3.323 1.00 1.91 C ATOM 2408 CZ TYR A 147 11.275 -12.824 4.610 1.00 0.47 C ATOM 2409 OH TYR A 147 11.429 -13.570 5.740 1.00 0.50 O ATOM 0 H TYR A 147 11.938 -10.033 -1.174 1.00 0.32 H new ATOM 0 HA TYR A 147 10.159 -12.118 -0.141 1.00 0.33 H new ATOM 0 HB2 TYR A 147 11.348 -9.623 1.029 1.00 0.39 H new ATOM 0 HB3 TYR A 147 9.636 -9.841 1.337 1.00 0.39 H new ATOM 0 HD1 TYR A 147 10.576 -9.621 3.672 1.00 1.58 H new ATOM 0 HD2 TYR A 147 11.295 -13.062 1.197 1.00 1.95 H new ATOM 0 HE1 TYR A 147 10.898 -10.995 5.705 1.00 1.63 H new ATOM 0 HE2 TYR A 147 11.630 -14.449 3.223 1.00 1.91 H new ATOM 0 HH TYR A 147 11.628 -14.498 5.495 1.00 0.50 H new ATOM 2419 N GLY A 148 9.497 -9.632 -2.037 1.00 0.26 N ATOM 2420 CA GLY A 148 8.399 -9.088 -2.818 1.00 0.25 C ATOM 2421 C GLY A 148 7.486 -10.220 -3.274 1.00 0.23 C ATOM 2422 O GLY A 148 7.944 -11.332 -3.534 1.00 0.26 O ATOM 0 H GLY A 148 10.428 -9.375 -2.365 1.00 0.26 H new ATOM 0 HA2 GLY A 148 7.835 -8.371 -2.221 1.00 0.25 H new ATOM 0 HA3 GLY A 148 8.786 -8.549 -3.683 1.00 0.25 H new ATOM 2426 N GLU A 149 6.183 -9.957 -3.354 1.00 0.24 N ATOM 2427 CA GLU A 149 5.267 -10.982 -3.824 1.00 0.22 C ATOM 2428 C GLU A 149 5.593 -11.273 -5.286 1.00 0.21 C ATOM 2429 O GLU A 149 6.159 -10.433 -5.988 1.00 0.30 O ATOM 2430 CB GLU A 149 3.807 -10.533 -3.690 1.00 0.30 C ATOM 2431 CG GLU A 149 3.074 -11.243 -2.543 1.00 0.70 C ATOM 2432 CD GLU A 149 2.834 -12.743 -2.718 1.00 0.54 C ATOM 2433 OE1 GLU A 149 3.463 -13.333 -3.627 1.00 1.42 O ATOM 2434 OE2 GLU A 149 2.034 -13.271 -1.903 1.00 1.30 O ATOM 0 H GLU A 149 5.751 -9.067 -3.106 1.00 0.24 H new ATOM 0 HA GLU A 149 5.387 -11.879 -3.216 1.00 0.22 H new ATOM 0 HB2 GLU A 149 3.776 -9.456 -3.525 1.00 0.30 H new ATOM 0 HB3 GLU A 149 3.284 -10.727 -4.626 1.00 0.30 H new ATOM 0 HG2 GLU A 149 3.645 -11.093 -1.627 1.00 0.70 H new ATOM 0 HG3 GLU A 149 2.109 -10.756 -2.401 1.00 0.70 H new ATOM 2441 N LYS A 150 5.194 -12.430 -5.798 1.00 0.28 N ATOM 2442 CA LYS A 150 5.360 -12.638 -7.230 1.00 0.39 C ATOM 2443 C LYS A 150 4.245 -11.873 -7.924 1.00 0.42 C ATOM 2444 O LYS A 150 3.087 -12.285 -7.882 1.00 0.52 O ATOM 2445 CB LYS A 150 5.408 -14.114 -7.652 1.00 0.68 C ATOM 2446 CG LYS A 150 5.090 -15.136 -6.558 1.00 1.18 C ATOM 2447 CD LYS A 150 5.280 -16.535 -7.159 1.00 1.88 C ATOM 2448 CE LYS A 150 4.809 -17.641 -6.212 1.00 2.77 C ATOM 2449 NZ LYS A 150 5.684 -17.775 -5.029 1.00 3.60 N ATOM 0 H LYS A 150 4.775 -13.201 -5.277 1.00 0.28 H new ATOM 0 HA LYS A 150 6.337 -12.261 -7.531 1.00 0.39 H new ATOM 0 HB2 LYS A 150 4.706 -14.260 -8.473 1.00 0.68 H new ATOM 0 HB3 LYS A 150 6.403 -14.327 -8.043 1.00 0.68 H new ATOM 0 HG2 LYS A 150 5.748 -14.995 -5.700 1.00 1.18 H new ATOM 0 HG3 LYS A 150 4.068 -15.009 -6.201 1.00 1.18 H new ATOM 0 HD2 LYS A 150 4.729 -16.603 -8.097 1.00 1.88 H new ATOM 0 HD3 LYS A 150 6.333 -16.686 -7.396 1.00 1.88 H new ATOM 0 HE2 LYS A 150 3.791 -17.428 -5.886 1.00 2.77 H new ATOM 0 HE3 LYS A 150 4.780 -18.589 -6.749 1.00 2.77 H new ATOM 0 HZ1 LYS A 150 5.326 -18.536 -4.417 1.00 3.60 H new ATOM 0 HZ2 LYS A 150 6.651 -18.004 -5.336 1.00 3.60 H new ATOM 0 HZ3 LYS A 150 5.692 -16.880 -4.500 1.00 3.60 H new ATOM 2463 N ARG A 151 4.579 -10.745 -8.556 1.00 0.40 N ATOM 2464 CA ARG A 151 3.610 -10.060 -9.395 1.00 0.37 C ATOM 2465 C ARG A 151 3.201 -11.024 -10.507 1.00 0.46 C ATOM 2466 O ARG A 151 3.989 -11.895 -10.882 1.00 0.59 O ATOM 2467 CB ARG A 151 4.128 -8.674 -9.845 1.00 0.47 C ATOM 2468 CG ARG A 151 4.599 -8.409 -11.286 1.00 1.09 C ATOM 2469 CD ARG A 151 5.958 -8.999 -11.691 1.00 0.88 C ATOM 2470 NE ARG A 151 5.805 -10.272 -12.401 1.00 1.34 N ATOM 2471 CZ ARG A 151 6.420 -10.650 -13.525 1.00 1.73 C ATOM 2472 NH1 ARG A 151 6.002 -11.749 -14.148 1.00 2.42 N ATOM 2473 NH2 ARG A 151 7.438 -9.955 -14.021 1.00 2.46 N ATOM 0 H ARG A 151 5.495 -10.299 -8.501 1.00 0.40 H new ATOM 0 HA ARG A 151 2.702 -9.805 -8.849 1.00 0.37 H new ATOM 0 HB2 ARG A 151 3.332 -7.958 -9.638 1.00 0.47 H new ATOM 0 HB3 ARG A 151 4.962 -8.422 -9.190 1.00 0.47 H new ATOM 0 HG2 ARG A 151 3.843 -8.799 -11.967 1.00 1.09 H new ATOM 0 HG3 ARG A 151 4.639 -7.330 -11.437 1.00 1.09 H new ATOM 0 HD2 ARG A 151 6.488 -8.289 -12.326 1.00 0.88 H new ATOM 0 HD3 ARG A 151 6.569 -9.149 -10.801 1.00 0.88 H new ATOM 0 HE ARG A 151 5.157 -10.944 -11.991 1.00 1.34 H new ATOM 0 HH11 ARG A 151 5.224 -12.287 -13.766 1.00 2.42 H new ATOM 0 HH12 ARG A 151 6.459 -12.053 -15.007 1.00 2.42 H new ATOM 0 HH21 ARG A 151 7.764 -9.115 -13.542 1.00 2.46 H new ATOM 0 HH22 ARG A 151 7.894 -10.261 -14.881 1.00 2.46 H new