USER MOD reduce.3.24.130724 H: found=0, std=0, add=1235, rem=0, adj=30 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 75 TYR OH : rot 52:sc= 0.544 USER MOD Set 1.2: A 139 ASN : amide:sc= -0.175 K(o=0.37,f=-1.4) USER MOD Set 2.1: A 99 THR OG1 : rot 180:sc= -0.0566 USER MOD Set 2.2: A 103 GLN : amide:sc= -0.0287 K(o=-0.085,f=-0.9) USER MOD Set 3.1: A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 31 ASN : amide:sc= 0.603 K(o=1.3,f=-1.2) USER MOD Set 4.2: A 34 THR OG1 : rot 93:sc= 0.742 USER MOD Single : A 4 SER OG : rot 180:sc= -0.0563 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= 0.944 (180deg=0.841) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 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= 1.52 K(o=1.5,f=0) USER MOD Single : A 24 ASN : amide:sc= 0.104 X(o=0.1,f=-0.0079) USER MOD Single : A 26 GLN : amide:sc= -0.0569 X(o=-0.057,f=-0.057) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 143:sc= 1.17 (180deg=-1.03!) USER MOD Single : A 56 ASN : amide:sc= 0.775 K(o=0.77,f=0) USER MOD Single : A 61 TYR OH : rot 17:sc= 1.12 USER MOD Single : A 64 LYS NZ :NH3+ -165:sc= 0.168 (180deg=-0.106) USER MOD Single : A 67 LYS NZ :NH3+ 159:sc= -0.02 (180deg=-0.198) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.22) USER MOD Single : A 72 THR OG1 : rot 90:sc= 0.322 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-2.8!) USER MOD Single : A 78 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.6!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0.673 K(o=0.67,f=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+ -160:sc= 0.753 (180deg=0.411) USER MOD Single : A 101 THR OG1 : rot -168:sc= 1.58 USER MOD Single : A 106 GLN : amide:sc= -0.313 K(o=-0.31,f=-3.7!) USER MOD Single : A 107 SER OG : rot 100:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 1.2 K(o=1.2,f=-7.7!) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 119 HIS : no HE2:sc= 0.26 K(o=0.26,f=-1.6) USER MOD Single : A 129 TYR OH : rot 151:sc= 0.4 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ -97:sc= 1.06 (180deg=-1.07) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ -135:sc= 1.75 (180deg=-0.314) USER MOD Single : A 137 CYS SG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 164:sc= -0.0218 (180deg=-0.216) USER MOD Single : A 144 THR OG1 : rot 85:sc= 0.371 USER MOD Single : A 145 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00313) USER MOD Single : A 146 LYS NZ :NH3+ -175:sc= 0.968 (180deg=0.958) 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 -19.404 -0.722 7.929 1.00 0.38 N ATOM 31 CA ALA A 3 -18.241 -0.426 7.108 1.00 0.34 C ATOM 32 C ALA A 3 -18.103 -1.463 6.002 1.00 0.32 C ATOM 33 O ALA A 3 -18.013 -1.103 4.837 1.00 0.28 O ATOM 34 CB ALA A 3 -16.986 -0.380 7.983 1.00 0.38 C ATOM 0 HA ALA A 3 -18.367 0.550 6.640 1.00 0.34 H new ATOM 0 HB1 ALA A 3 -16.118 -0.158 7.363 1.00 0.38 H new ATOM 0 HB2 ALA A 3 -17.099 0.396 8.740 1.00 0.38 H new ATOM 0 HB3 ALA A 3 -16.846 -1.345 8.470 1.00 0.38 H new ATOM 40 N SER A 4 -18.160 -2.745 6.360 1.00 0.39 N ATOM 41 CA SER A 4 -18.044 -3.884 5.460 1.00 0.38 C ATOM 42 C SER A 4 -18.913 -3.721 4.229 1.00 0.39 C ATOM 43 O SER A 4 -18.481 -4.008 3.123 1.00 0.42 O ATOM 44 CB SER A 4 -18.473 -5.137 6.207 1.00 0.34 C ATOM 45 OG SER A 4 -19.760 -4.913 6.739 1.00 1.16 O ATOM 0 H SER A 4 -18.295 -3.027 7.331 1.00 0.39 H new ATOM 0 HA SER A 4 -17.007 -3.957 5.131 1.00 0.38 H new ATOM 0 HB2 SER A 4 -18.483 -5.995 5.535 1.00 0.34 H new ATOM 0 HB3 SER A 4 -17.766 -5.365 7.005 1.00 0.34 H new ATOM 0 HG SER A 4 -20.057 -5.711 7.224 1.00 1.16 H new ATOM 51 N ARG A 5 -20.152 -3.274 4.410 1.00 0.41 N ATOM 52 CA ARG A 5 -21.061 -3.107 3.289 1.00 0.45 C ATOM 53 C ARG A 5 -20.461 -2.133 2.298 1.00 0.44 C ATOM 54 O ARG A 5 -20.411 -2.403 1.102 1.00 0.57 O ATOM 55 CB ARG A 5 -22.427 -2.632 3.782 1.00 0.50 C ATOM 56 CG ARG A 5 -22.928 -3.535 4.913 1.00 0.93 C ATOM 57 CD ARG A 5 -24.435 -3.383 5.122 1.00 1.32 C ATOM 58 NE ARG A 5 -25.087 -4.704 5.137 1.00 1.93 N ATOM 59 CZ ARG A 5 -26.379 -4.952 5.378 1.00 2.26 C ATOM 60 NH1 ARG A 5 -26.834 -6.205 5.331 1.00 2.91 N ATOM 61 NH2 ARG A 5 -27.211 -3.949 5.662 1.00 2.84 N ATOM 0 H ARG A 5 -20.545 -3.023 5.317 1.00 0.41 H new ATOM 0 HA ARG A 5 -21.207 -4.064 2.788 1.00 0.45 H new ATOM 0 HB2 ARG A 5 -22.356 -1.603 4.134 1.00 0.50 H new ATOM 0 HB3 ARG A 5 -23.141 -2.639 2.958 1.00 0.50 H new ATOM 0 HG2 ARG A 5 -22.694 -4.574 4.682 1.00 0.93 H new ATOM 0 HG3 ARG A 5 -22.404 -3.288 5.837 1.00 0.93 H new ATOM 0 HD2 ARG A 5 -24.628 -2.864 6.061 1.00 1.32 H new ATOM 0 HD3 ARG A 5 -24.859 -2.770 4.327 1.00 1.32 H new ATOM 0 HE ARG A 5 -24.493 -5.511 4.944 1.00 1.93 H new ATOM 0 HH11 ARG A 5 -26.197 -6.971 5.112 1.00 2.91 H new ATOM 0 HH12 ARG A 5 -27.819 -6.397 5.514 1.00 2.91 H new ATOM 0 HH21 ARG A 5 -26.862 -2.991 5.696 1.00 2.84 H new ATOM 0 HH22 ARG A 5 -28.196 -4.140 5.846 1.00 2.84 H new ATOM 75 N ARG A 6 -19.986 -0.995 2.793 1.00 0.33 N ATOM 76 CA ARG A 6 -19.372 0.006 1.938 1.00 0.33 C ATOM 77 C ARG A 6 -18.139 -0.571 1.273 1.00 0.31 C ATOM 78 O ARG A 6 -17.984 -0.418 0.073 1.00 0.41 O ATOM 79 CB ARG A 6 -19.053 1.270 2.740 1.00 0.33 C ATOM 80 CG ARG A 6 -20.327 1.868 3.347 1.00 0.40 C ATOM 81 CD ARG A 6 -19.971 2.905 4.406 1.00 1.39 C ATOM 82 NE ARG A 6 -19.183 4.016 3.839 1.00 1.70 N ATOM 83 CZ ARG A 6 -19.628 5.239 3.531 1.00 1.78 C ATOM 84 NH1 ARG A 6 -18.758 6.174 3.154 1.00 2.52 N ATOM 85 NH2 ARG A 6 -20.929 5.527 3.602 1.00 2.12 N ATOM 0 H ARG A 6 -20.016 -0.746 3.782 1.00 0.33 H new ATOM 0 HA ARG A 6 -20.071 0.291 1.152 1.00 0.33 H new ATOM 0 HB2 ARG A 6 -18.344 1.033 3.533 1.00 0.33 H new ATOM 0 HB3 ARG A 6 -18.574 2.005 2.093 1.00 0.33 H new ATOM 0 HG2 ARG A 6 -20.929 2.329 2.564 1.00 0.40 H new ATOM 0 HG3 ARG A 6 -20.932 1.078 3.791 1.00 0.40 H new ATOM 0 HD2 ARG A 6 -20.885 3.298 4.852 1.00 1.39 H new ATOM 0 HD3 ARG A 6 -19.405 2.428 5.206 1.00 1.39 H new ATOM 0 HE ARG A 6 -18.195 3.832 3.663 1.00 1.70 H new ATOM 0 HH11 ARG A 6 -17.763 5.954 3.102 1.00 2.52 H new ATOM 0 HH12 ARG A 6 -19.086 7.110 2.917 1.00 2.52 H new ATOM 0 HH21 ARG A 6 -21.595 4.811 3.893 1.00 2.12 H new ATOM 0 HH22 ARG A 6 -21.258 6.463 3.365 1.00 2.12 H new ATOM 99 N LEU A 7 -17.327 -1.309 2.020 1.00 0.27 N ATOM 100 CA LEU A 7 -16.119 -1.943 1.530 1.00 0.27 C ATOM 101 C LEU A 7 -16.474 -2.941 0.441 1.00 0.24 C ATOM 102 O LEU A 7 -15.682 -3.145 -0.463 1.00 0.31 O ATOM 103 CB LEU A 7 -15.371 -2.644 2.671 1.00 0.33 C ATOM 104 CG LEU A 7 -14.916 -1.662 3.757 1.00 0.39 C ATOM 105 CD1 LEU A 7 -14.386 -2.420 4.976 1.00 0.57 C ATOM 106 CD2 LEU A 7 -13.821 -0.712 3.291 1.00 0.35 C ATOM 0 H LEU A 7 -17.499 -1.485 3.010 1.00 0.27 H new ATOM 0 HA LEU A 7 -15.463 -1.177 1.117 1.00 0.27 H new ATOM 0 HB2 LEU A 7 -16.018 -3.400 3.116 1.00 0.33 H new ATOM 0 HB3 LEU A 7 -14.502 -3.164 2.268 1.00 0.33 H new ATOM 0 HG LEU A 7 -15.799 -1.074 4.007 1.00 0.39 H new ATOM 0 HD11 LEU A 7 -14.067 -1.708 5.737 1.00 0.57 H new ATOM 0 HD12 LEU A 7 -15.174 -3.055 5.381 1.00 0.57 H new ATOM 0 HD13 LEU A 7 -13.538 -3.038 4.680 1.00 0.57 H new ATOM 0 HD21 LEU A 7 -13.546 -0.045 4.108 1.00 0.35 H new ATOM 0 HD22 LEU A 7 -12.948 -1.287 2.982 1.00 0.35 H new ATOM 0 HD23 LEU A 7 -14.184 -0.123 2.449 1.00 0.35 H new ATOM 118 N MET A 8 -17.649 -3.566 0.501 1.00 0.25 N ATOM 119 CA MET A 8 -18.078 -4.497 -0.520 1.00 0.34 C ATOM 120 C MET A 8 -18.262 -3.757 -1.831 1.00 0.31 C ATOM 121 O MET A 8 -17.678 -4.145 -2.843 1.00 0.31 O ATOM 122 CB MET A 8 -19.333 -5.255 -0.072 1.00 0.42 C ATOM 123 CG MET A 8 -19.695 -6.362 -1.063 1.00 0.55 C ATOM 124 SD MET A 8 -20.870 -7.566 -0.392 1.00 1.56 S ATOM 125 CE MET A 8 -20.904 -8.742 -1.770 1.00 1.84 C ATOM 0 H MET A 8 -18.321 -3.437 1.257 1.00 0.25 H new ATOM 0 HA MET A 8 -17.312 -5.256 -0.679 1.00 0.34 H new ATOM 0 HB2 MET A 8 -19.167 -5.687 0.915 1.00 0.42 H new ATOM 0 HB3 MET A 8 -20.167 -4.560 0.021 1.00 0.42 H new ATOM 0 HG2 MET A 8 -20.119 -5.912 -1.961 1.00 0.55 H new ATOM 0 HG3 MET A 8 -18.786 -6.881 -1.365 1.00 0.55 H new ATOM 0 HE1 MET A 8 -21.583 -9.561 -1.533 1.00 1.84 H new ATOM 0 HE2 MET A 8 -21.247 -8.236 -2.672 1.00 1.84 H new ATOM 0 HE3 MET A 8 -19.902 -9.138 -1.935 1.00 1.84 H new ATOM 135 N LYS A 9 -19.058 -2.685 -1.834 1.00 0.32 N ATOM 136 CA LYS A 9 -19.312 -2.027 -3.108 1.00 0.32 C ATOM 137 C LYS A 9 -18.071 -1.307 -3.626 1.00 0.33 C ATOM 138 O LYS A 9 -17.796 -1.343 -4.818 1.00 0.43 O ATOM 139 CB LYS A 9 -20.581 -1.175 -3.064 1.00 0.42 C ATOM 140 CG LYS A 9 -20.594 0.085 -2.194 1.00 1.73 C ATOM 141 CD LYS A 9 -21.627 -0.110 -1.085 1.00 2.33 C ATOM 142 CE LYS A 9 -21.894 1.191 -0.323 1.00 4.07 C ATOM 143 NZ LYS A 9 -22.836 2.070 -1.052 1.00 4.38 N ATOM 0 H LYS A 9 -19.513 -2.276 -1.018 1.00 0.32 H new ATOM 0 HA LYS A 9 -19.522 -2.792 -3.856 1.00 0.32 H new ATOM 0 HB2 LYS A 9 -20.811 -0.873 -4.086 1.00 0.42 H new ATOM 0 HB3 LYS A 9 -21.397 -1.815 -2.729 1.00 0.42 H new ATOM 0 HG2 LYS A 9 -19.607 0.262 -1.767 1.00 1.73 H new ATOM 0 HG3 LYS A 9 -20.843 0.959 -2.795 1.00 1.73 H new ATOM 0 HD2 LYS A 9 -22.559 -0.477 -1.516 1.00 2.33 H new ATOM 0 HD3 LYS A 9 -21.275 -0.873 -0.390 1.00 2.33 H new ATOM 0 HE2 LYS A 9 -22.301 0.959 0.661 1.00 4.07 H new ATOM 0 HE3 LYS A 9 -20.954 1.719 -0.163 1.00 4.07 H new ATOM 0 HZ1 LYS A 9 -22.992 2.941 -0.505 1.00 4.38 H new ATOM 0 HZ2 LYS A 9 -22.437 2.312 -1.981 1.00 4.38 H new ATOM 0 HZ3 LYS A 9 -23.742 1.576 -1.182 1.00 4.38 H new ATOM 157 N GLU A 10 -17.303 -0.694 -2.732 1.00 0.28 N ATOM 158 CA GLU A 10 -16.051 -0.017 -3.015 1.00 0.29 C ATOM 159 C GLU A 10 -15.036 -0.995 -3.592 1.00 0.26 C ATOM 160 O GLU A 10 -14.335 -0.649 -4.529 1.00 0.34 O ATOM 161 CB GLU A 10 -15.522 0.616 -1.720 1.00 0.34 C ATOM 162 CG GLU A 10 -16.402 1.804 -1.292 1.00 0.52 C ATOM 163 CD GLU A 10 -16.210 2.227 0.171 1.00 2.18 C ATOM 164 OE1 GLU A 10 -15.333 1.646 0.850 1.00 3.58 O ATOM 165 OE2 GLU A 10 -16.955 3.138 0.601 1.00 2.63 O ATOM 0 H GLU A 10 -17.552 -0.656 -1.744 1.00 0.28 H new ATOM 0 HA GLU A 10 -16.217 0.765 -3.756 1.00 0.29 H new ATOM 0 HB2 GLU A 10 -15.502 -0.131 -0.927 1.00 0.34 H new ATOM 0 HB3 GLU A 10 -14.496 0.953 -1.867 1.00 0.34 H new ATOM 0 HG2 GLU A 10 -16.185 2.655 -1.937 1.00 0.52 H new ATOM 0 HG3 GLU A 10 -17.449 1.543 -1.450 1.00 0.52 H new ATOM 172 N LEU A 11 -14.922 -2.208 -3.052 1.00 0.22 N ATOM 173 CA LEU A 11 -13.958 -3.193 -3.521 1.00 0.22 C ATOM 174 C LEU A 11 -14.325 -3.676 -4.903 1.00 0.23 C ATOM 175 O LEU A 11 -13.462 -3.780 -5.774 1.00 0.23 O ATOM 176 CB LEU A 11 -13.905 -4.389 -2.569 1.00 0.22 C ATOM 177 CG LEU A 11 -12.739 -5.323 -2.913 1.00 0.21 C ATOM 178 CD1 LEU A 11 -12.218 -5.912 -1.613 1.00 0.29 C ATOM 179 CD2 LEU A 11 -13.142 -6.469 -3.844 1.00 0.25 C ATOM 0 H LEU A 11 -15.498 -2.532 -2.276 1.00 0.22 H new ATOM 0 HA LEU A 11 -12.979 -2.715 -3.553 1.00 0.22 H new ATOM 0 HB2 LEU A 11 -13.800 -4.036 -1.543 1.00 0.22 H new ATOM 0 HB3 LEU A 11 -14.844 -4.941 -2.622 1.00 0.22 H new ATOM 0 HG LEU A 11 -11.983 -4.738 -3.437 1.00 0.21 H new ATOM 0 HD11 LEU A 11 -11.386 -6.583 -1.825 1.00 0.29 H new ATOM 0 HD12 LEU A 11 -11.879 -5.108 -0.960 1.00 0.29 H new ATOM 0 HD13 LEU A 11 -13.015 -6.468 -1.120 1.00 0.29 H new ATOM 0 HD21 LEU A 11 -12.273 -7.094 -4.049 1.00 0.25 H new ATOM 0 HD22 LEU A 11 -13.916 -7.070 -3.367 1.00 0.25 H new ATOM 0 HD23 LEU A 11 -13.524 -6.061 -4.779 1.00 0.25 H new ATOM 191 N GLU A 12 -15.597 -4.021 -5.090 1.00 0.25 N ATOM 192 CA GLU A 12 -16.034 -4.524 -6.377 1.00 0.29 C ATOM 193 C GLU A 12 -15.768 -3.458 -7.438 1.00 0.28 C ATOM 194 O GLU A 12 -15.198 -3.767 -8.484 1.00 0.31 O ATOM 195 CB GLU A 12 -17.492 -5.002 -6.344 1.00 0.37 C ATOM 196 CG GLU A 12 -17.727 -5.710 -7.688 1.00 0.55 C ATOM 197 CD GLU A 12 -19.011 -6.521 -7.825 1.00 0.80 C ATOM 198 OE1 GLU A 12 -19.271 -6.892 -8.997 1.00 2.41 O ATOM 199 OE2 GLU A 12 -19.651 -6.824 -6.798 1.00 2.00 O ATOM 0 H GLU A 12 -16.326 -3.961 -4.379 1.00 0.25 H new ATOM 0 HA GLU A 12 -15.459 -5.413 -6.637 1.00 0.29 H new ATOM 0 HB2 GLU A 12 -17.663 -5.681 -5.509 1.00 0.37 H new ATOM 0 HB3 GLU A 12 -18.177 -4.163 -6.218 1.00 0.37 H new ATOM 0 HG2 GLU A 12 -17.716 -4.956 -8.475 1.00 0.55 H new ATOM 0 HG3 GLU A 12 -16.884 -6.376 -7.873 1.00 0.55 H new ATOM 206 N GLU A 13 -16.115 -2.206 -7.129 1.00 0.28 N ATOM 207 CA GLU A 13 -15.804 -1.044 -7.949 1.00 0.29 C ATOM 208 C GLU A 13 -14.311 -0.956 -8.221 1.00 0.27 C ATOM 209 O GLU A 13 -13.928 -0.789 -9.368 1.00 0.36 O ATOM 210 CB GLU A 13 -16.296 0.248 -7.273 1.00 0.32 C ATOM 211 CG GLU A 13 -17.708 0.624 -7.730 1.00 0.54 C ATOM 212 CD GLU A 13 -17.690 1.161 -9.163 1.00 1.94 C ATOM 213 OE1 GLU A 13 -17.607 2.401 -9.307 1.00 2.80 O ATOM 214 OE2 GLU A 13 -17.743 0.321 -10.089 1.00 3.02 O ATOM 0 H GLU A 13 -16.632 -1.972 -6.281 1.00 0.28 H new ATOM 0 HA GLU A 13 -16.323 -1.159 -8.901 1.00 0.29 H new ATOM 0 HB2 GLU A 13 -16.286 0.119 -6.191 1.00 0.32 H new ATOM 0 HB3 GLU A 13 -15.610 1.063 -7.503 1.00 0.32 H new ATOM 0 HG2 GLU A 13 -18.358 -0.249 -7.672 1.00 0.54 H new ATOM 0 HG3 GLU A 13 -18.124 1.377 -7.060 1.00 0.54 H new ATOM 221 N ILE A 14 -13.456 -1.060 -7.200 1.00 0.23 N ATOM 222 CA ILE A 14 -12.012 -0.918 -7.347 1.00 0.21 C ATOM 223 C ILE A 14 -11.529 -1.890 -8.418 1.00 0.21 C ATOM 224 O ILE A 14 -10.904 -1.482 -9.399 1.00 0.24 O ATOM 225 CB ILE A 14 -11.295 -1.108 -5.988 1.00 0.18 C ATOM 226 CG1 ILE A 14 -11.374 0.205 -5.190 1.00 0.21 C ATOM 227 CG2 ILE A 14 -9.799 -1.393 -6.190 1.00 0.19 C ATOM 228 CD1 ILE A 14 -10.821 0.038 -3.772 1.00 0.18 C ATOM 0 H ILE A 14 -13.753 -1.247 -6.242 1.00 0.23 H new ATOM 0 HA ILE A 14 -11.764 0.092 -7.672 1.00 0.21 H new ATOM 0 HB ILE A 14 -11.778 -1.938 -5.473 1.00 0.18 H new ATOM 0 HG12 ILE A 14 -10.814 0.982 -5.710 1.00 0.21 H new ATOM 0 HG13 ILE A 14 -12.410 0.539 -5.140 1.00 0.21 H new ATOM 0 HG21 ILE A 14 -9.319 -1.522 -5.220 1.00 0.19 H new ATOM 0 HG22 ILE A 14 -9.678 -2.302 -6.779 1.00 0.19 H new ATOM 0 HG23 ILE A 14 -9.337 -0.557 -6.715 1.00 0.19 H new ATOM 0 HD11 ILE A 14 -10.894 0.986 -3.239 1.00 0.18 H new ATOM 0 HD12 ILE A 14 -11.398 -0.720 -3.243 1.00 0.18 H new ATOM 0 HD13 ILE A 14 -9.777 -0.271 -3.823 1.00 0.18 H new ATOM 240 N ARG A 15 -11.821 -3.181 -8.244 1.00 0.22 N ATOM 241 CA ARG A 15 -11.398 -4.181 -9.211 1.00 0.26 C ATOM 242 C ARG A 15 -11.893 -3.810 -10.601 1.00 0.27 C ATOM 243 O ARG A 15 -11.109 -3.805 -11.552 1.00 0.33 O ATOM 244 CB ARG A 15 -11.914 -5.570 -8.840 1.00 0.32 C ATOM 245 CG ARG A 15 -10.922 -6.282 -7.922 1.00 0.91 C ATOM 246 CD ARG A 15 -11.397 -7.703 -7.623 1.00 0.85 C ATOM 247 NE ARG A 15 -11.541 -8.502 -8.851 1.00 0.98 N ATOM 248 CZ ARG A 15 -12.694 -8.852 -9.439 1.00 1.83 C ATOM 249 NH1 ARG A 15 -12.673 -9.601 -10.544 1.00 2.31 N ATOM 250 NH2 ARG A 15 -13.864 -8.454 -8.935 1.00 2.93 N ATOM 0 H ARG A 15 -12.343 -3.550 -7.449 1.00 0.22 H new ATOM 0 HA ARG A 15 -10.308 -4.206 -9.205 1.00 0.26 H new ATOM 0 HB2 ARG A 15 -12.881 -5.485 -8.344 1.00 0.32 H new ATOM 0 HB3 ARG A 15 -12.070 -6.160 -9.743 1.00 0.32 H new ATOM 0 HG2 ARG A 15 -9.939 -6.312 -8.392 1.00 0.91 H new ATOM 0 HG3 ARG A 15 -10.814 -5.725 -6.991 1.00 0.91 H new ATOM 0 HD2 ARG A 15 -10.688 -8.190 -6.954 1.00 0.85 H new ATOM 0 HD3 ARG A 15 -12.353 -7.664 -7.101 1.00 0.85 H new ATOM 0 HE ARG A 15 -10.681 -8.820 -9.298 1.00 0.98 H new ATOM 0 HH11 ARG A 15 -11.782 -9.905 -10.937 1.00 2.31 H new ATOM 0 HH12 ARG A 15 -13.548 -9.870 -10.995 1.00 2.31 H new ATOM 0 HH21 ARG A 15 -13.887 -7.877 -8.094 1.00 2.93 H new ATOM 0 HH22 ARG A 15 -14.735 -8.726 -9.391 1.00 2.93 H new ATOM 264 N LYS A 16 -13.196 -3.536 -10.712 1.00 0.26 N ATOM 265 CA LYS A 16 -13.830 -3.243 -11.991 1.00 0.31 C ATOM 266 C LYS A 16 -13.208 -2.008 -12.646 1.00 0.34 C ATOM 267 O LYS A 16 -13.180 -1.923 -13.869 1.00 0.39 O ATOM 268 CB LYS A 16 -15.351 -3.038 -11.830 1.00 0.35 C ATOM 269 CG LYS A 16 -16.172 -4.189 -12.428 1.00 0.62 C ATOM 270 CD LYS A 16 -16.244 -5.425 -11.525 1.00 0.93 C ATOM 271 CE LYS A 16 -17.095 -6.485 -12.240 1.00 1.19 C ATOM 272 NZ LYS A 16 -17.801 -7.392 -11.303 1.00 2.12 N ATOM 0 H LYS A 16 -13.835 -3.512 -9.918 1.00 0.26 H new ATOM 0 HA LYS A 16 -13.662 -4.105 -12.637 1.00 0.31 H new ATOM 0 HB2 LYS A 16 -15.590 -2.939 -10.771 1.00 0.35 H new ATOM 0 HB3 LYS A 16 -15.640 -2.103 -12.311 1.00 0.35 H new ATOM 0 HG2 LYS A 16 -17.184 -3.837 -12.629 1.00 0.62 H new ATOM 0 HG3 LYS A 16 -15.738 -4.474 -13.386 1.00 0.62 H new ATOM 0 HD2 LYS A 16 -15.244 -5.810 -11.325 1.00 0.93 H new ATOM 0 HD3 LYS A 16 -16.685 -5.168 -10.562 1.00 0.93 H new ATOM 0 HE2 LYS A 16 -17.827 -5.987 -12.875 1.00 1.19 H new ATOM 0 HE3 LYS A 16 -16.454 -7.076 -12.895 1.00 1.19 H new ATOM 0 HZ1 LYS A 16 -18.543 -7.910 -11.815 1.00 2.12 H new ATOM 0 HZ2 LYS A 16 -17.123 -8.068 -10.898 1.00 2.12 H new ATOM 0 HZ3 LYS A 16 -18.232 -6.834 -10.539 1.00 2.12 H new ATOM 286 N CYS A 17 -12.729 -1.058 -11.843 1.00 0.33 N ATOM 287 CA CYS A 17 -12.190 0.214 -12.292 1.00 0.39 C ATOM 288 C CYS A 17 -10.951 -0.067 -13.128 1.00 0.39 C ATOM 289 O CYS A 17 -10.744 0.525 -14.184 1.00 0.56 O ATOM 290 CB CYS A 17 -11.849 1.073 -11.064 1.00 0.41 C ATOM 291 SG CYS A 17 -11.890 2.833 -11.487 1.00 0.88 S ATOM 0 H CYS A 17 -12.707 -1.162 -10.829 1.00 0.33 H new ATOM 0 HA CYS A 17 -12.913 0.759 -12.899 1.00 0.39 H new ATOM 0 HB2 CYS A 17 -12.559 0.869 -10.262 1.00 0.41 H new ATOM 0 HB3 CYS A 17 -10.861 0.806 -10.690 1.00 0.41 H new ATOM 0 HG CYS A 17 -11.601 3.539 -10.434 1.00 0.88 H new ATOM 297 N GLY A 18 -10.127 -0.998 -12.648 1.00 0.30 N ATOM 298 CA GLY A 18 -8.989 -1.482 -13.396 1.00 0.32 C ATOM 299 C GLY A 18 -7.918 -1.932 -12.427 1.00 0.30 C ATOM 300 O GLY A 18 -6.995 -1.175 -12.144 1.00 0.31 O ATOM 0 H GLY A 18 -10.237 -1.431 -11.731 1.00 0.30 H new ATOM 0 HA2 GLY A 18 -9.286 -2.310 -14.040 1.00 0.32 H new ATOM 0 HA3 GLY A 18 -8.603 -0.696 -14.045 1.00 0.32 H new ATOM 304 N MET A 19 -8.046 -3.159 -11.922 1.00 0.32 N ATOM 305 CA MET A 19 -7.042 -3.816 -11.089 1.00 0.30 C ATOM 306 C MET A 19 -5.707 -3.959 -11.821 1.00 0.30 C ATOM 307 O MET A 19 -5.403 -4.994 -12.410 1.00 0.34 O ATOM 308 CB MET A 19 -7.601 -5.153 -10.592 1.00 0.40 C ATOM 309 CG MET A 19 -7.981 -6.128 -11.712 1.00 0.72 C ATOM 310 SD MET A 19 -9.265 -7.329 -11.269 1.00 1.42 S ATOM 311 CE MET A 19 -9.677 -7.855 -12.953 1.00 2.11 C ATOM 0 H MET A 19 -8.871 -3.736 -12.085 1.00 0.32 H new ATOM 0 HA MET A 19 -6.827 -3.196 -10.219 1.00 0.30 H new ATOM 0 HB2 MET A 19 -6.860 -5.627 -9.948 1.00 0.40 H new ATOM 0 HB3 MET A 19 -8.481 -4.961 -9.978 1.00 0.40 H new ATOM 0 HG2 MET A 19 -8.321 -5.555 -12.574 1.00 0.72 H new ATOM 0 HG3 MET A 19 -7.087 -6.670 -12.022 1.00 0.72 H new ATOM 0 HE1 MET A 19 -10.464 -8.609 -12.917 1.00 2.11 H new ATOM 0 HE2 MET A 19 -10.024 -6.996 -13.528 1.00 2.11 H new ATOM 0 HE3 MET A 19 -8.792 -8.277 -13.429 1.00 2.11 H new ATOM 321 N LYS A 20 -4.931 -2.878 -11.849 1.00 0.30 N ATOM 322 CA LYS A 20 -3.662 -2.803 -12.550 1.00 0.31 C ATOM 323 C LYS A 20 -2.534 -2.703 -11.538 1.00 0.28 C ATOM 324 O LYS A 20 -1.913 -3.701 -11.190 1.00 0.38 O ATOM 325 CB LYS A 20 -3.752 -1.677 -13.592 1.00 0.34 C ATOM 326 CG LYS A 20 -3.187 -2.114 -14.943 1.00 1.04 C ATOM 327 CD LYS A 20 -3.945 -1.379 -16.049 1.00 1.63 C ATOM 328 CE LYS A 20 -3.073 -1.303 -17.305 1.00 1.74 C ATOM 329 NZ LYS A 20 -3.820 -0.782 -18.469 1.00 2.66 N ATOM 0 H LYS A 20 -5.178 -2.011 -11.371 1.00 0.30 H new ATOM 0 HA LYS A 20 -3.433 -3.704 -13.119 1.00 0.31 H new ATOM 0 HB2 LYS A 20 -4.792 -1.375 -13.713 1.00 0.34 H new ATOM 0 HB3 LYS A 20 -3.206 -0.804 -13.234 1.00 0.34 H new ATOM 0 HG2 LYS A 20 -2.122 -1.887 -14.999 1.00 1.04 H new ATOM 0 HG3 LYS A 20 -3.290 -3.192 -15.066 1.00 1.04 H new ATOM 0 HD2 LYS A 20 -4.877 -1.898 -16.272 1.00 1.63 H new ATOM 0 HD3 LYS A 20 -4.211 -0.375 -15.717 1.00 1.63 H new ATOM 0 HE2 LYS A 20 -2.213 -0.662 -17.110 1.00 1.74 H new ATOM 0 HE3 LYS A 20 -2.686 -2.295 -17.538 1.00 1.74 H new ATOM 0 HZ1 LYS A 20 -3.192 -0.747 -19.297 1.00 2.66 H new ATOM 0 HZ2 LYS A 20 -4.626 -1.407 -18.672 1.00 2.66 H new ATOM 0 HZ3 LYS A 20 -4.168 0.175 -18.258 1.00 2.66 H new ATOM 343 N ASN A 21 -2.342 -1.506 -10.984 1.00 0.26 N ATOM 344 CA ASN A 21 -1.383 -1.277 -9.915 1.00 0.23 C ATOM 345 C ASN A 21 -1.801 -1.942 -8.613 1.00 0.18 C ATOM 346 O ASN A 21 -1.050 -1.922 -7.645 1.00 0.16 O ATOM 347 CB ASN A 21 -1.248 0.217 -9.646 1.00 0.28 C ATOM 348 CG ASN A 21 -0.517 0.917 -10.773 1.00 0.51 C ATOM 349 OD1 ASN A 21 -1.130 1.665 -11.525 1.00 2.00 O ATOM 350 ND2 ASN A 21 0.769 0.647 -10.919 1.00 1.35 N ATOM 0 H ASN A 21 -2.851 -0.669 -11.268 1.00 0.26 H new ATOM 0 HA ASN A 21 -0.438 -1.708 -10.247 1.00 0.23 H new ATOM 0 HB2 ASN A 21 -2.238 0.657 -9.523 1.00 0.28 H new ATOM 0 HB3 ASN A 21 -0.712 0.373 -8.710 1.00 0.28 H new ATOM 0 HD21 ASN A 21 1.295 1.069 -11.685 1.00 1.35 H new ATOM 0 HD22 ASN A 21 1.235 0.017 -10.266 1.00 1.35 H new ATOM 357 N PHE A 22 -3.004 -2.499 -8.553 1.00 0.23 N ATOM 358 CA PHE A 22 -3.533 -3.169 -7.394 1.00 0.19 C ATOM 359 C PHE A 22 -4.201 -4.417 -7.945 1.00 0.24 C ATOM 360 O PHE A 22 -5.118 -4.322 -8.758 1.00 0.44 O ATOM 361 CB PHE A 22 -4.475 -2.217 -6.646 1.00 0.16 C ATOM 362 CG PHE A 22 -5.444 -1.449 -7.524 1.00 0.20 C ATOM 363 CD1 PHE A 22 -6.721 -1.965 -7.801 1.00 0.20 C ATOM 364 CD2 PHE A 22 -5.044 -0.227 -8.100 1.00 0.31 C ATOM 365 CE1 PHE A 22 -7.577 -1.276 -8.678 1.00 0.28 C ATOM 366 CE2 PHE A 22 -5.903 0.463 -8.970 1.00 0.38 C ATOM 367 CZ PHE A 22 -7.172 -0.064 -9.262 1.00 0.35 C ATOM 0 H PHE A 22 -3.652 -2.491 -9.341 1.00 0.23 H new ATOM 0 HA PHE A 22 -2.786 -3.457 -6.654 1.00 0.19 H new ATOM 0 HB2 PHE A 22 -5.047 -2.794 -5.919 1.00 0.16 H new ATOM 0 HB3 PHE A 22 -3.873 -1.502 -6.084 1.00 0.16 H new ATOM 0 HD1 PHE A 22 -7.044 -2.888 -7.342 1.00 0.20 H new ATOM 0 HD2 PHE A 22 -4.071 0.181 -7.871 1.00 0.31 H new ATOM 0 HE1 PHE A 22 -8.552 -1.681 -8.904 1.00 0.28 H new ATOM 0 HE2 PHE A 22 -5.589 1.396 -9.414 1.00 0.38 H new ATOM 0 HZ PHE A 22 -7.835 0.461 -9.934 1.00 0.35 H new ATOM 377 N ARG A 23 -3.694 -5.589 -7.572 1.00 0.19 N ATOM 378 CA ARG A 23 -4.224 -6.866 -8.020 1.00 0.23 C ATOM 379 C ARG A 23 -4.171 -7.832 -6.854 1.00 0.21 C ATOM 380 O ARG A 23 -3.718 -7.481 -5.771 1.00 0.22 O ATOM 381 CB ARG A 23 -3.418 -7.413 -9.213 1.00 0.36 C ATOM 382 CG ARG A 23 -3.881 -6.840 -10.555 1.00 0.93 C ATOM 383 CD ARG A 23 -3.659 -7.890 -11.648 1.00 1.23 C ATOM 384 NE ARG A 23 -4.041 -7.400 -12.976 1.00 2.33 N ATOM 385 CZ ARG A 23 -4.312 -8.164 -14.042 1.00 2.84 C ATOM 386 NH1 ARG A 23 -4.375 -7.612 -15.249 1.00 4.14 N ATOM 387 NH2 ARG A 23 -4.521 -9.474 -13.905 1.00 2.49 N ATOM 0 H ARG A 23 -2.895 -5.676 -6.944 1.00 0.19 H new ATOM 0 HA ARG A 23 -5.252 -6.739 -8.358 1.00 0.23 H new ATOM 0 HB2 ARG A 23 -2.363 -7.182 -9.069 1.00 0.36 H new ATOM 0 HB3 ARG A 23 -3.506 -8.499 -9.237 1.00 0.36 H new ATOM 0 HG2 ARG A 23 -4.935 -6.566 -10.504 1.00 0.93 H new ATOM 0 HG3 ARG A 23 -3.326 -5.931 -10.788 1.00 0.93 H new ATOM 0 HD2 ARG A 23 -2.609 -8.183 -11.659 1.00 1.23 H new ATOM 0 HD3 ARG A 23 -4.237 -8.784 -11.413 1.00 1.23 H new ATOM 0 HE ARG A 23 -4.106 -6.389 -13.099 1.00 2.33 H new ATOM 0 HH11 ARG A 23 -4.217 -6.610 -15.361 1.00 4.14 H new ATOM 0 HH12 ARG A 23 -4.581 -8.190 -16.064 1.00 4.14 H new ATOM 0 HH21 ARG A 23 -4.475 -9.904 -12.981 1.00 2.49 H new ATOM 0 HH22 ARG A 23 -4.727 -10.046 -14.724 1.00 2.49 H new ATOM 401 N ASN A 24 -4.674 -9.050 -7.061 1.00 0.26 N ATOM 402 CA ASN A 24 -4.897 -9.989 -5.975 1.00 0.25 C ATOM 403 C ASN A 24 -5.675 -9.300 -4.854 1.00 0.23 C ATOM 404 O ASN A 24 -5.434 -9.564 -3.684 1.00 0.28 O ATOM 405 CB ASN A 24 -3.555 -10.570 -5.504 1.00 0.30 C ATOM 406 CG ASN A 24 -3.721 -11.929 -4.843 1.00 0.49 C ATOM 407 OD1 ASN A 24 -3.550 -12.955 -5.487 1.00 1.39 O ATOM 408 ND2 ASN A 24 -4.059 -11.970 -3.566 1.00 1.36 N ATOM 0 H ASN A 24 -4.935 -9.406 -7.981 1.00 0.26 H new ATOM 0 HA ASN A 24 -5.502 -10.829 -6.317 1.00 0.25 H new ATOM 0 HB2 ASN A 24 -2.881 -10.662 -6.356 1.00 0.30 H new ATOM 0 HB3 ASN A 24 -3.088 -9.880 -4.801 1.00 0.30 H new ATOM 0 HD21 ASN A 24 -4.182 -12.869 -3.100 1.00 1.36 H new ATOM 0 HD22 ASN A 24 -4.197 -11.103 -3.047 1.00 1.36 H new ATOM 415 N ILE A 25 -6.609 -8.409 -5.202 1.00 0.22 N ATOM 416 CA ILE A 25 -7.556 -7.893 -4.232 1.00 0.20 C ATOM 417 C ILE A 25 -8.364 -9.107 -3.782 1.00 0.21 C ATOM 418 O ILE A 25 -8.958 -9.784 -4.622 1.00 0.24 O ATOM 419 CB ILE A 25 -8.423 -6.776 -4.866 1.00 0.22 C ATOM 420 CG1 ILE A 25 -7.842 -5.396 -4.516 1.00 0.23 C ATOM 421 CG2 ILE A 25 -9.875 -6.844 -4.383 1.00 0.33 C ATOM 422 CD1 ILE A 25 -8.653 -4.252 -5.112 1.00 0.26 C ATOM 0 H ILE A 25 -6.722 -8.037 -6.145 1.00 0.22 H new ATOM 0 HA ILE A 25 -7.078 -7.421 -3.374 1.00 0.20 H new ATOM 0 HB ILE A 25 -8.411 -6.926 -5.946 1.00 0.22 H new ATOM 0 HG12 ILE A 25 -7.806 -5.285 -3.432 1.00 0.23 H new ATOM 0 HG13 ILE A 25 -6.815 -5.336 -4.877 1.00 0.23 H new ATOM 0 HG21 ILE A 25 -10.451 -6.045 -4.849 1.00 0.33 H new ATOM 0 HG22 ILE A 25 -10.304 -7.808 -4.656 1.00 0.33 H new ATOM 0 HG23 ILE A 25 -9.904 -6.727 -3.300 1.00 0.33 H new ATOM 0 HD11 ILE A 25 -8.199 -3.301 -4.834 1.00 0.26 H new ATOM 0 HD12 ILE A 25 -8.668 -4.344 -6.198 1.00 0.26 H new ATOM 0 HD13 ILE A 25 -9.673 -4.292 -4.731 1.00 0.26 H new ATOM 434 N GLN A 26 -8.384 -9.390 -2.482 1.00 0.20 N ATOM 435 CA GLN A 26 -9.231 -10.418 -1.912 1.00 0.24 C ATOM 436 C GLN A 26 -9.776 -9.887 -0.595 1.00 0.22 C ATOM 437 O GLN A 26 -9.201 -8.981 0.016 1.00 0.24 O ATOM 438 CB GLN A 26 -8.492 -11.753 -1.704 1.00 0.32 C ATOM 439 CG GLN A 26 -7.318 -11.950 -2.667 1.00 0.29 C ATOM 440 CD GLN A 26 -6.766 -13.368 -2.637 1.00 0.40 C ATOM 441 OE1 GLN A 26 -6.393 -13.881 -1.590 1.00 1.61 O ATOM 442 NE2 GLN A 26 -6.652 -14.014 -3.791 1.00 1.60 N ATOM 0 H GLN A 26 -7.806 -8.905 -1.795 1.00 0.20 H new ATOM 0 HA GLN A 26 -10.040 -10.638 -2.608 1.00 0.24 H new ATOM 0 HB2 GLN A 26 -8.125 -11.801 -0.679 1.00 0.32 H new ATOM 0 HB3 GLN A 26 -9.197 -12.574 -1.829 1.00 0.32 H new ATOM 0 HG2 GLN A 26 -7.641 -11.711 -3.680 1.00 0.29 H new ATOM 0 HG3 GLN A 26 -6.523 -11.249 -2.412 1.00 0.29 H new ATOM 0 HE21 GLN A 26 -6.967 -13.574 -4.655 1.00 1.60 H new ATOM 0 HE22 GLN A 26 -6.249 -14.951 -3.813 1.00 1.60 H new ATOM 451 N VAL A 27 -10.896 -10.454 -0.170 1.00 0.25 N ATOM 452 CA VAL A 27 -11.626 -10.021 1.000 1.00 0.28 C ATOM 453 C VAL A 27 -12.127 -11.309 1.649 1.00 0.36 C ATOM 454 O VAL A 27 -12.481 -12.245 0.933 1.00 0.47 O ATOM 455 CB VAL A 27 -12.714 -9.037 0.527 1.00 0.30 C ATOM 456 CG1 VAL A 27 -13.986 -9.712 0.001 1.00 0.46 C ATOM 457 CG2 VAL A 27 -13.074 -8.038 1.619 1.00 0.39 C ATOM 0 H VAL A 27 -11.328 -11.247 -0.645 1.00 0.25 H new ATOM 0 HA VAL A 27 -11.053 -9.474 1.749 1.00 0.28 H new ATOM 0 HB VAL A 27 -12.267 -8.512 -0.318 1.00 0.30 H new ATOM 0 HG11 VAL A 27 -14.700 -8.950 -0.311 1.00 0.46 H new ATOM 0 HG12 VAL A 27 -13.736 -10.346 -0.850 1.00 0.46 H new ATOM 0 HG13 VAL A 27 -14.427 -10.321 0.790 1.00 0.46 H new ATOM 0 HG21 VAL A 27 -13.844 -7.359 1.252 1.00 0.39 H new ATOM 0 HG22 VAL A 27 -13.448 -8.573 2.492 1.00 0.39 H new ATOM 0 HG23 VAL A 27 -12.188 -7.466 1.896 1.00 0.39 H new ATOM 467 N ASP A 28 -12.066 -11.414 2.976 1.00 0.36 N ATOM 468 CA ASP A 28 -12.570 -12.608 3.649 1.00 0.44 C ATOM 469 C ASP A 28 -14.100 -12.574 3.647 1.00 0.45 C ATOM 470 O ASP A 28 -14.690 -11.541 3.346 1.00 0.48 O ATOM 471 CB ASP A 28 -11.984 -12.675 5.059 1.00 0.50 C ATOM 472 CG ASP A 28 -12.216 -14.043 5.684 1.00 0.60 C ATOM 473 OD1 ASP A 28 -13.240 -14.182 6.390 1.00 1.14 O ATOM 474 OD2 ASP A 28 -11.394 -14.940 5.416 1.00 1.29 O ATOM 0 H ASP A 28 -11.680 -10.701 3.595 1.00 0.36 H new ATOM 0 HA ASP A 28 -12.262 -13.513 3.126 1.00 0.44 H new ATOM 0 HB2 ASP A 28 -10.915 -12.465 5.022 1.00 0.50 H new ATOM 0 HB3 ASP A 28 -12.439 -11.905 5.682 1.00 0.50 H new ATOM 479 N GLU A 29 -14.761 -13.687 3.959 1.00 0.51 N ATOM 480 CA GLU A 29 -16.213 -13.721 4.102 1.00 0.55 C ATOM 481 C GLU A 29 -16.587 -13.112 5.451 1.00 0.52 C ATOM 482 O GLU A 29 -17.385 -12.182 5.545 1.00 0.55 O ATOM 483 CB GLU A 29 -16.692 -15.180 4.018 1.00 0.68 C ATOM 484 CG GLU A 29 -17.012 -15.589 2.574 1.00 1.92 C ATOM 485 CD GLU A 29 -18.443 -15.210 2.180 1.00 2.87 C ATOM 486 OE1 GLU A 29 -18.869 -14.098 2.559 1.00 3.73 O ATOM 487 OE2 GLU A 29 -19.094 -16.044 1.513 1.00 3.63 O ATOM 0 H GLU A 29 -14.307 -14.586 4.119 1.00 0.51 H new ATOM 0 HA GLU A 29 -16.690 -13.148 3.307 1.00 0.55 H new ATOM 0 HB2 GLU A 29 -15.923 -15.839 4.421 1.00 0.68 H new ATOM 0 HB3 GLU A 29 -17.579 -15.308 4.638 1.00 0.68 H new ATOM 0 HG2 GLU A 29 -16.308 -15.107 1.895 1.00 1.92 H new ATOM 0 HG3 GLU A 29 -16.877 -16.665 2.462 1.00 1.92 H new ATOM 494 N ALA A 30 -16.007 -13.652 6.520 1.00 0.53 N ATOM 495 CA ALA A 30 -16.314 -13.214 7.870 1.00 0.56 C ATOM 496 C ALA A 30 -15.578 -11.909 8.144 1.00 0.45 C ATOM 497 O ALA A 30 -16.179 -10.895 8.497 1.00 0.48 O ATOM 498 CB ALA A 30 -15.910 -14.303 8.871 1.00 0.65 C ATOM 0 H ALA A 30 -15.316 -14.401 6.471 1.00 0.53 H new ATOM 0 HA ALA A 30 -17.385 -13.041 7.978 1.00 0.56 H new ATOM 0 HB1 ALA A 30 -16.142 -13.971 9.883 1.00 0.65 H new ATOM 0 HB2 ALA A 30 -16.460 -15.219 8.654 1.00 0.65 H new ATOM 0 HB3 ALA A 30 -14.840 -14.495 8.788 1.00 0.65 H new ATOM 504 N ASN A 31 -14.259 -11.919 7.972 1.00 0.40 N ATOM 505 CA ASN A 31 -13.424 -10.756 8.219 1.00 0.35 C ATOM 506 C ASN A 31 -13.337 -9.899 6.955 1.00 0.26 C ATOM 507 O ASN A 31 -12.257 -9.450 6.587 1.00 0.27 O ATOM 508 CB ASN A 31 -12.038 -11.228 8.680 1.00 0.44 C ATOM 509 CG ASN A 31 -11.235 -10.111 9.339 1.00 1.26 C ATOM 510 OD1 ASN A 31 -11.602 -8.938 9.310 1.00 2.28 O ATOM 511 ND2 ASN A 31 -10.131 -10.468 9.981 1.00 1.77 N ATOM 0 H ASN A 31 -13.741 -12.739 7.656 1.00 0.40 H new ATOM 0 HA ASN A 31 -13.859 -10.138 9.005 1.00 0.35 H new ATOM 0 HB2 ASN A 31 -12.153 -12.053 9.383 1.00 0.44 H new ATOM 0 HB3 ASN A 31 -11.485 -11.614 7.824 1.00 0.44 H new ATOM 0 HD21 ASN A 31 -9.570 -9.764 10.462 1.00 1.77 H new ATOM 0 HD22 ASN A 31 -9.842 -11.446 9.994 1.00 1.77 H new ATOM 518 N LEU A 32 -14.461 -9.675 6.261 1.00 0.24 N ATOM 519 CA LEU A 32 -14.450 -8.928 5.001 1.00 0.22 C ATOM 520 C LEU A 32 -14.023 -7.477 5.225 1.00 0.22 C ATOM 521 O LEU A 32 -13.562 -6.788 4.320 1.00 0.25 O ATOM 522 CB LEU A 32 -15.799 -9.075 4.269 1.00 0.34 C ATOM 523 CG LEU A 32 -16.828 -7.943 4.409 1.00 0.32 C ATOM 524 CD1 LEU A 32 -16.531 -6.754 3.484 1.00 0.47 C ATOM 525 CD2 LEU A 32 -18.199 -8.506 4.019 1.00 0.47 C ATOM 0 H LEU A 32 -15.384 -9.999 6.551 1.00 0.24 H new ATOM 0 HA LEU A 32 -13.698 -9.356 4.338 1.00 0.22 H new ATOM 0 HB2 LEU A 32 -15.589 -9.205 3.207 1.00 0.34 H new ATOM 0 HB3 LEU A 32 -16.268 -9.996 4.616 1.00 0.34 H new ATOM 0 HG LEU A 32 -16.794 -7.585 5.438 1.00 0.32 H new ATOM 0 HD11 LEU A 32 -17.290 -5.985 3.625 1.00 0.47 H new ATOM 0 HD12 LEU A 32 -15.550 -6.344 3.722 1.00 0.47 H new ATOM 0 HD13 LEU A 32 -16.542 -7.088 2.447 1.00 0.47 H new ATOM 0 HD21 LEU A 32 -18.953 -7.724 4.109 1.00 0.47 H new ATOM 0 HD22 LEU A 32 -18.167 -8.862 2.989 1.00 0.47 H new ATOM 0 HD23 LEU A 32 -18.454 -9.333 4.681 1.00 0.47 H new ATOM 537 N LEU A 33 -14.172 -7.009 6.464 1.00 0.22 N ATOM 538 CA LEU A 33 -13.639 -5.747 6.935 1.00 0.24 C ATOM 539 C LEU A 33 -12.154 -5.607 6.600 1.00 0.30 C ATOM 540 O LEU A 33 -11.721 -4.539 6.171 1.00 0.65 O ATOM 541 CB LEU A 33 -13.895 -5.662 8.445 1.00 0.27 C ATOM 542 CG LEU A 33 -15.345 -5.268 8.753 1.00 0.31 C ATOM 543 CD1 LEU A 33 -15.582 -5.365 10.253 1.00 0.35 C ATOM 544 CD2 LEU A 33 -15.681 -3.829 8.354 1.00 0.47 C ATOM 0 H LEU A 33 -14.684 -7.519 7.184 1.00 0.22 H new ATOM 0 HA LEU A 33 -14.138 -4.919 6.432 1.00 0.24 H new ATOM 0 HB2 LEU A 33 -13.673 -6.624 8.906 1.00 0.27 H new ATOM 0 HB3 LEU A 33 -13.218 -4.932 8.889 1.00 0.27 H new ATOM 0 HG LEU A 33 -15.972 -5.949 8.177 1.00 0.31 H new ATOM 0 HD11 LEU A 33 -16.611 -5.086 10.478 1.00 0.35 H new ATOM 0 HD12 LEU A 33 -15.403 -6.388 10.584 1.00 0.35 H new ATOM 0 HD13 LEU A 33 -14.902 -4.691 10.773 1.00 0.35 H new ATOM 0 HD21 LEU A 33 -16.722 -3.617 8.600 1.00 0.47 H new ATOM 0 HD22 LEU A 33 -15.033 -3.140 8.896 1.00 0.47 H new ATOM 0 HD23 LEU A 33 -15.528 -3.704 7.282 1.00 0.47 H new ATOM 556 N THR A 34 -11.362 -6.660 6.789 1.00 0.22 N ATOM 557 CA THR A 34 -9.949 -6.601 6.458 1.00 0.20 C ATOM 558 C THR A 34 -9.712 -7.019 5.010 1.00 0.19 C ATOM 559 O THR A 34 -10.369 -7.906 4.469 1.00 0.22 O ATOM 560 CB THR A 34 -9.153 -7.475 7.430 1.00 0.23 C ATOM 561 OG1 THR A 34 -9.454 -7.090 8.756 1.00 0.34 O ATOM 562 CG2 THR A 34 -7.648 -7.296 7.231 1.00 0.23 C ATOM 0 H THR A 34 -11.675 -7.554 7.166 1.00 0.22 H new ATOM 0 HA THR A 34 -9.604 -5.572 6.558 1.00 0.20 H new ATOM 0 HB THR A 34 -9.425 -8.514 7.243 1.00 0.23 H new ATOM 0 HG1 THR A 34 -10.189 -7.641 9.098 1.00 0.34 H new ATOM 0 HG21 THR A 34 -7.110 -7.930 7.936 1.00 0.23 H new ATOM 0 HG22 THR A 34 -7.380 -7.577 6.213 1.00 0.23 H new ATOM 0 HG23 THR A 34 -7.380 -6.254 7.403 1.00 0.23 H new ATOM 570 N TRP A 35 -8.748 -6.350 4.384 1.00 0.17 N ATOM 571 CA TRP A 35 -8.412 -6.518 2.981 1.00 0.16 C ATOM 572 C TRP A 35 -7.009 -7.079 2.877 1.00 0.16 C ATOM 573 O TRP A 35 -6.147 -6.772 3.700 1.00 0.18 O ATOM 574 CB TRP A 35 -8.429 -5.166 2.268 1.00 0.17 C ATOM 575 CG TRP A 35 -9.755 -4.507 2.112 1.00 0.15 C ATOM 576 CD1 TRP A 35 -10.701 -4.406 3.067 1.00 0.20 C ATOM 577 CD2 TRP A 35 -10.291 -3.818 0.947 1.00 0.17 C ATOM 578 NE1 TRP A 35 -11.803 -3.770 2.566 1.00 0.23 N ATOM 579 CE2 TRP A 35 -11.610 -3.372 1.257 1.00 0.19 C ATOM 580 CE3 TRP A 35 -9.781 -3.508 -0.334 1.00 0.22 C ATOM 581 CZ2 TRP A 35 -12.386 -2.664 0.329 1.00 0.22 C ATOM 582 CZ3 TRP A 35 -10.558 -2.810 -1.274 1.00 0.24 C ATOM 583 CH2 TRP A 35 -11.864 -2.407 -0.947 1.00 0.22 C ATOM 0 H TRP A 35 -8.165 -5.658 4.855 1.00 0.17 H new ATOM 0 HA TRP A 35 -9.139 -7.188 2.523 1.00 0.16 H new ATOM 0 HB2 TRP A 35 -7.774 -4.486 2.813 1.00 0.17 H new ATOM 0 HB3 TRP A 35 -7.997 -5.299 1.276 1.00 0.17 H new ATOM 0 HD1 TRP A 35 -10.603 -4.773 4.078 1.00 0.20 H new ATOM 0 HE1 TRP A 35 -12.661 -3.609 3.093 1.00 0.23 H new ATOM 0 HE3 TRP A 35 -8.778 -3.812 -0.595 1.00 0.22 H new ATOM 0 HZ2 TRP A 35 -13.375 -2.320 0.594 1.00 0.22 H new ATOM 0 HZ3 TRP A 35 -10.151 -2.583 -2.248 1.00 0.24 H new ATOM 0 HH2 TRP A 35 -12.469 -1.897 -1.682 1.00 0.22 H new ATOM 594 N GLN A 36 -6.756 -7.846 1.823 1.00 0.15 N ATOM 595 CA GLN A 36 -5.442 -8.395 1.566 1.00 0.17 C ATOM 596 C GLN A 36 -5.232 -8.411 0.062 1.00 0.22 C ATOM 597 O GLN A 36 -6.158 -8.712 -0.688 1.00 0.36 O ATOM 598 CB GLN A 36 -5.341 -9.797 2.181 1.00 0.25 C ATOM 599 CG GLN A 36 -6.552 -10.682 1.844 1.00 0.39 C ATOM 600 CD GLN A 36 -6.372 -12.120 2.318 1.00 0.63 C ATOM 601 OE1 GLN A 36 -5.256 -12.574 2.557 1.00 1.30 O ATOM 602 NE2 GLN A 36 -7.468 -12.859 2.442 1.00 1.14 N ATOM 0 H GLN A 36 -7.458 -8.101 1.128 1.00 0.15 H new ATOM 0 HA GLN A 36 -4.660 -7.789 2.024 1.00 0.17 H new ATOM 0 HB2 GLN A 36 -4.432 -10.281 1.824 1.00 0.25 H new ATOM 0 HB3 GLN A 36 -5.251 -9.709 3.264 1.00 0.25 H new ATOM 0 HG2 GLN A 36 -7.446 -10.260 2.304 1.00 0.39 H new ATOM 0 HG3 GLN A 36 -6.714 -10.675 0.766 1.00 0.39 H new ATOM 0 HE21 GLN A 36 -8.382 -12.455 2.236 1.00 1.14 H new ATOM 0 HE22 GLN A 36 -7.396 -13.831 2.743 1.00 1.14 H new ATOM 611 N GLY A 37 -4.026 -8.082 -0.389 1.00 0.19 N ATOM 612 CA GLY A 37 -3.710 -8.212 -1.797 1.00 0.19 C ATOM 613 C GLY A 37 -2.306 -7.720 -2.062 1.00 0.18 C ATOM 614 O GLY A 37 -1.483 -7.667 -1.150 1.00 0.23 O ATOM 0 H GLY A 37 -3.266 -7.730 0.193 1.00 0.19 H new ATOM 0 HA2 GLY A 37 -3.802 -9.254 -2.104 1.00 0.19 H new ATOM 0 HA3 GLY A 37 -4.422 -7.640 -2.392 1.00 0.19 H new ATOM 618 N LEU A 38 -2.022 -7.359 -3.309 1.00 0.18 N ATOM 619 CA LEU A 38 -0.743 -6.784 -3.664 1.00 0.19 C ATOM 620 C LEU A 38 -0.967 -5.544 -4.504 1.00 0.21 C ATOM 621 O LEU A 38 -2.049 -5.301 -5.038 1.00 0.28 O ATOM 622 CB LEU A 38 0.186 -7.830 -4.312 1.00 0.22 C ATOM 623 CG LEU A 38 -0.279 -8.449 -5.643 1.00 0.25 C ATOM 624 CD1 LEU A 38 -0.137 -7.501 -6.839 1.00 0.33 C ATOM 625 CD2 LEU A 38 0.582 -9.678 -5.943 1.00 0.27 C ATOM 0 H LEU A 38 -2.670 -7.458 -4.091 1.00 0.18 H new ATOM 0 HA LEU A 38 -0.214 -6.467 -2.765 1.00 0.19 H new ATOM 0 HB2 LEU A 38 1.158 -7.364 -4.476 1.00 0.22 H new ATOM 0 HB3 LEU A 38 0.337 -8.639 -3.597 1.00 0.22 H new ATOM 0 HG LEU A 38 -1.335 -8.689 -5.520 1.00 0.25 H new ATOM 0 HD11 LEU A 38 -0.483 -8.002 -7.743 1.00 0.33 H new ATOM 0 HD12 LEU A 38 -0.736 -6.607 -6.668 1.00 0.33 H new ATOM 0 HD13 LEU A 38 0.909 -7.219 -6.958 1.00 0.33 H new ATOM 0 HD21 LEU A 38 0.262 -10.126 -6.884 1.00 0.27 H new ATOM 0 HD22 LEU A 38 1.628 -9.380 -6.020 1.00 0.27 H new ATOM 0 HD23 LEU A 38 0.471 -10.405 -5.139 1.00 0.27 H new ATOM 637 N ILE A 39 0.087 -4.756 -4.620 1.00 0.19 N ATOM 638 CA ILE A 39 0.130 -3.575 -5.430 1.00 0.17 C ATOM 639 C ILE A 39 1.337 -3.775 -6.330 1.00 0.17 C ATOM 640 O ILE A 39 2.440 -4.043 -5.851 1.00 0.23 O ATOM 641 CB ILE A 39 0.135 -2.306 -4.553 1.00 0.15 C ATOM 642 CG1 ILE A 39 1.170 -2.358 -3.412 1.00 0.16 C ATOM 643 CG2 ILE A 39 -1.272 -2.128 -3.959 1.00 0.16 C ATOM 644 CD1 ILE A 39 1.136 -1.115 -2.519 1.00 0.17 C ATOM 0 H ILE A 39 0.963 -4.937 -4.130 1.00 0.19 H new ATOM 0 HA ILE A 39 -0.752 -3.422 -6.052 1.00 0.17 H new ATOM 0 HB ILE A 39 0.415 -1.465 -5.187 1.00 0.15 H new ATOM 0 HG12 ILE A 39 0.986 -3.242 -2.802 1.00 0.16 H new ATOM 0 HG13 ILE A 39 2.168 -2.466 -3.838 1.00 0.16 H new ATOM 0 HG21 ILE A 39 -1.293 -1.235 -3.334 1.00 0.16 H new ATOM 0 HG22 ILE A 39 -1.997 -2.023 -4.766 1.00 0.16 H new ATOM 0 HG23 ILE A 39 -1.525 -3.000 -3.355 1.00 0.16 H new ATOM 0 HD11 ILE A 39 1.887 -1.210 -1.734 1.00 0.17 H new ATOM 0 HD12 ILE A 39 1.348 -0.230 -3.119 1.00 0.17 H new ATOM 0 HD13 ILE A 39 0.149 -1.019 -2.067 1.00 0.17 H new ATOM 656 N VAL A 40 1.088 -3.778 -7.638 1.00 0.21 N ATOM 657 CA VAL A 40 2.103 -3.893 -8.663 1.00 0.21 C ATOM 658 C VAL A 40 2.611 -2.472 -8.894 1.00 0.27 C ATOM 659 O VAL A 40 1.840 -1.616 -9.332 1.00 0.39 O ATOM 660 CB VAL A 40 1.492 -4.487 -9.946 1.00 0.19 C ATOM 661 CG1 VAL A 40 2.598 -4.831 -10.945 1.00 0.22 C ATOM 662 CG2 VAL A 40 0.708 -5.774 -9.662 1.00 0.26 C ATOM 0 H VAL A 40 0.144 -3.698 -8.017 1.00 0.21 H new ATOM 0 HA VAL A 40 2.916 -4.557 -8.370 1.00 0.21 H new ATOM 0 HB VAL A 40 0.816 -3.734 -10.351 1.00 0.19 H new ATOM 0 HG11 VAL A 40 2.155 -5.250 -11.848 1.00 0.22 H new ATOM 0 HG12 VAL A 40 3.153 -3.928 -11.199 1.00 0.22 H new ATOM 0 HG13 VAL A 40 3.275 -5.560 -10.501 1.00 0.22 H new ATOM 0 HG21 VAL A 40 0.293 -6.160 -10.593 1.00 0.26 H new ATOM 0 HG22 VAL A 40 1.375 -6.517 -9.226 1.00 0.26 H new ATOM 0 HG23 VAL A 40 -0.102 -5.560 -8.965 1.00 0.26 H new ATOM 672 N PRO A 41 3.864 -2.167 -8.546 1.00 0.36 N ATOM 673 CA PRO A 41 4.433 -0.876 -8.863 1.00 0.42 C ATOM 674 C PRO A 41 4.733 -0.758 -10.360 1.00 0.31 C ATOM 675 O PRO A 41 4.551 -1.709 -11.113 1.00 0.33 O ATOM 676 CB PRO A 41 5.715 -0.774 -8.038 1.00 0.63 C ATOM 677 CG PRO A 41 6.001 -2.172 -7.483 1.00 0.58 C ATOM 678 CD PRO A 41 4.813 -3.042 -7.886 1.00 0.50 C ATOM 0 HA PRO A 41 3.741 -0.068 -8.627 1.00 0.42 H new ATOM 0 HB2 PRO A 41 6.544 -0.427 -8.655 1.00 0.63 H new ATOM 0 HB3 PRO A 41 5.596 -0.054 -7.228 1.00 0.63 H new ATOM 0 HG2 PRO A 41 6.931 -2.570 -7.890 1.00 0.58 H new ATOM 0 HG3 PRO A 41 6.114 -2.145 -6.399 1.00 0.58 H new ATOM 0 HD2 PRO A 41 5.129 -3.844 -8.553 1.00 0.50 H new ATOM 0 HD3 PRO A 41 4.363 -3.513 -7.012 1.00 0.50 H new ATOM 686 N ASP A 42 5.247 0.407 -10.757 1.00 0.35 N ATOM 687 CA ASP A 42 5.772 0.688 -12.089 1.00 0.34 C ATOM 688 C ASP A 42 7.186 1.254 -11.942 1.00 0.30 C ATOM 689 O ASP A 42 8.130 0.733 -12.524 1.00 0.34 O ATOM 690 CB ASP A 42 4.875 1.685 -12.837 1.00 0.46 C ATOM 691 CG ASP A 42 3.689 1.005 -13.516 1.00 0.72 C ATOM 692 OD1 ASP A 42 2.551 1.246 -13.052 1.00 1.86 O ATOM 693 OD2 ASP A 42 3.927 0.286 -14.508 1.00 2.48 O ATOM 0 H ASP A 42 5.310 1.211 -10.133 1.00 0.35 H new ATOM 0 HA ASP A 42 5.794 -0.233 -12.671 1.00 0.34 H new ATOM 0 HB2 ASP A 42 4.508 2.435 -12.137 1.00 0.46 H new ATOM 0 HB3 ASP A 42 5.467 2.211 -13.586 1.00 0.46 H new ATOM 698 N ASN A 43 7.333 2.328 -11.158 1.00 0.30 N ATOM 699 CA ASN A 43 8.607 3.004 -10.914 1.00 0.29 C ATOM 700 C ASN A 43 9.669 2.051 -10.349 1.00 0.27 C ATOM 701 O ASN A 43 10.699 1.858 -10.990 1.00 0.31 O ATOM 702 CB ASN A 43 8.421 4.240 -10.013 1.00 0.33 C ATOM 703 CG ASN A 43 8.632 5.540 -10.772 1.00 0.43 C ATOM 704 OD1 ASN A 43 9.757 5.996 -10.933 1.00 0.53 O ATOM 705 ND2 ASN A 43 7.562 6.156 -11.257 1.00 0.55 N ATOM 0 H ASN A 43 6.551 2.759 -10.666 1.00 0.30 H new ATOM 0 HA ASN A 43 8.975 3.349 -11.880 1.00 0.29 H new ATOM 0 HB2 ASN A 43 7.418 4.229 -9.586 1.00 0.33 H new ATOM 0 HB3 ASN A 43 9.122 4.189 -9.180 1.00 0.33 H new ATOM 0 HD21 ASN A 43 7.667 7.028 -11.776 1.00 0.55 H new ATOM 0 HD22 ASN A 43 6.634 5.758 -11.111 1.00 0.55 H new ATOM 712 N PRO A 44 9.503 1.494 -9.137 1.00 0.24 N ATOM 713 CA PRO A 44 10.475 0.553 -8.616 1.00 0.24 C ATOM 714 C PRO A 44 10.313 -0.802 -9.314 1.00 0.25 C ATOM 715 O PRO A 44 9.238 -1.117 -9.822 1.00 0.36 O ATOM 716 CB PRO A 44 10.186 0.463 -7.117 1.00 0.25 C ATOM 717 CG PRO A 44 8.681 0.683 -7.064 1.00 0.26 C ATOM 718 CD PRO A 44 8.439 1.712 -8.173 1.00 0.25 C ATOM 0 HA PRO A 44 11.504 0.866 -8.792 1.00 0.24 H new ATOM 0 HB2 PRO A 44 10.470 -0.505 -6.705 1.00 0.25 H new ATOM 0 HB3 PRO A 44 10.728 1.221 -6.552 1.00 0.25 H new ATOM 0 HG2 PRO A 44 8.132 -0.241 -7.245 1.00 0.26 H new ATOM 0 HG3 PRO A 44 8.363 1.057 -6.091 1.00 0.26 H new ATOM 0 HD2 PRO A 44 7.459 1.574 -8.631 1.00 0.25 H new ATOM 0 HD3 PRO A 44 8.467 2.728 -7.780 1.00 0.25 H new ATOM 726 N PRO A 45 11.368 -1.624 -9.297 1.00 0.23 N ATOM 727 CA PRO A 45 11.438 -2.907 -9.976 1.00 0.30 C ATOM 728 C PRO A 45 10.304 -3.840 -9.565 1.00 0.42 C ATOM 729 O PRO A 45 10.338 -4.446 -8.490 1.00 0.90 O ATOM 730 CB PRO A 45 12.825 -3.468 -9.687 1.00 0.36 C ATOM 731 CG PRO A 45 13.298 -2.678 -8.480 1.00 0.27 C ATOM 732 CD PRO A 45 12.627 -1.326 -8.655 1.00 0.29 C ATOM 0 HA PRO A 45 11.301 -2.794 -11.051 1.00 0.30 H new ATOM 0 HB2 PRO A 45 12.787 -4.536 -9.474 1.00 0.36 H new ATOM 0 HB3 PRO A 45 13.494 -3.336 -10.537 1.00 0.36 H new ATOM 0 HG2 PRO A 45 13.001 -3.156 -7.546 1.00 0.27 H new ATOM 0 HG3 PRO A 45 14.384 -2.587 -8.460 1.00 0.27 H new ATOM 0 HD2 PRO A 45 12.475 -0.832 -7.695 1.00 0.29 H new ATOM 0 HD3 PRO A 45 13.235 -0.658 -9.265 1.00 0.29 H new ATOM 740 N TYR A 46 9.326 -3.963 -10.465 1.00 0.35 N ATOM 741 CA TYR A 46 8.147 -4.801 -10.318 1.00 0.37 C ATOM 742 C TYR A 46 8.242 -6.051 -11.196 1.00 0.46 C ATOM 743 O TYR A 46 7.376 -6.917 -11.163 1.00 0.81 O ATOM 744 CB TYR A 46 6.889 -4.003 -10.671 1.00 0.38 C ATOM 745 CG TYR A 46 6.752 -3.631 -12.133 1.00 0.39 C ATOM 746 CD1 TYR A 46 7.369 -2.468 -12.627 1.00 2.16 C ATOM 747 CD2 TYR A 46 5.971 -4.433 -12.987 1.00 2.01 C ATOM 748 CE1 TYR A 46 7.203 -2.101 -13.973 1.00 2.39 C ATOM 749 CE2 TYR A 46 5.785 -4.062 -14.330 1.00 1.99 C ATOM 750 CZ TYR A 46 6.398 -2.888 -14.826 1.00 1.02 C ATOM 751 OH TYR A 46 6.208 -2.502 -16.119 1.00 1.39 O ATOM 0 H TYR A 46 9.340 -3.458 -11.351 1.00 0.35 H new ATOM 0 HA TYR A 46 8.088 -5.123 -9.278 1.00 0.37 H new ATOM 0 HB2 TYR A 46 6.015 -4.584 -10.377 1.00 0.38 H new ATOM 0 HB3 TYR A 46 6.879 -3.089 -10.077 1.00 0.38 H new ATOM 0 HD1 TYR A 46 7.971 -1.856 -11.971 1.00 2.16 H new ATOM 0 HD2 TYR A 46 5.514 -5.336 -12.609 1.00 2.01 H new ATOM 0 HE1 TYR A 46 7.691 -1.217 -14.356 1.00 2.39 H new ATOM 0 HE2 TYR A 46 5.176 -4.672 -14.981 1.00 1.99 H new ATOM 0 HH TYR A 46 5.631 -3.151 -16.573 1.00 1.39 H new ATOM 761 N ASP A 47 9.296 -6.171 -12.002 1.00 0.44 N ATOM 762 CA ASP A 47 9.485 -7.324 -12.871 1.00 0.45 C ATOM 763 C ASP A 47 9.766 -8.530 -11.982 1.00 0.49 C ATOM 764 O ASP A 47 9.184 -9.606 -12.128 1.00 0.78 O ATOM 765 CB ASP A 47 10.663 -7.115 -13.843 1.00 0.52 C ATOM 766 CG ASP A 47 10.782 -5.691 -14.380 1.00 1.54 C ATOM 767 OD1 ASP A 47 11.163 -4.826 -13.554 1.00 3.25 O ATOM 768 OD2 ASP A 47 10.512 -5.501 -15.584 1.00 1.99 O ATOM 0 H ASP A 47 10.038 -5.474 -12.069 1.00 0.44 H new ATOM 0 HA ASP A 47 8.588 -7.473 -13.473 1.00 0.45 H new ATOM 0 HB2 ASP A 47 11.591 -7.379 -13.335 1.00 0.52 H new ATOM 0 HB3 ASP A 47 10.553 -7.801 -14.683 1.00 0.52 H new ATOM 773 N LYS A 48 10.684 -8.339 -11.031 1.00 0.39 N ATOM 774 CA LYS A 48 11.138 -9.414 -10.160 1.00 0.39 C ATOM 775 C LYS A 48 10.047 -9.812 -9.159 1.00 0.34 C ATOM 776 O LYS A 48 10.161 -10.874 -8.555 1.00 0.39 O ATOM 777 CB LYS A 48 12.470 -9.053 -9.460 1.00 0.47 C ATOM 778 CG LYS A 48 13.685 -9.061 -10.412 1.00 0.59 C ATOM 779 CD LYS A 48 13.889 -7.732 -11.155 1.00 0.88 C ATOM 780 CE LYS A 48 14.945 -7.805 -12.272 1.00 0.96 C ATOM 781 NZ LYS A 48 16.334 -7.980 -11.792 1.00 2.14 N ATOM 0 H LYS A 48 11.128 -7.439 -10.848 1.00 0.39 H new ATOM 0 HA LYS A 48 11.337 -10.287 -10.782 1.00 0.39 H new ATOM 0 HB2 LYS A 48 12.378 -8.065 -9.008 1.00 0.47 H new ATOM 0 HB3 LYS A 48 12.649 -9.759 -8.649 1.00 0.47 H new ATOM 0 HG2 LYS A 48 14.584 -9.290 -9.839 1.00 0.59 H new ATOM 0 HG3 LYS A 48 13.560 -9.861 -11.142 1.00 0.59 H new ATOM 0 HD2 LYS A 48 12.939 -7.417 -11.585 1.00 0.88 H new ATOM 0 HD3 LYS A 48 14.184 -6.966 -10.438 1.00 0.88 H new ATOM 0 HE2 LYS A 48 14.696 -8.633 -12.936 1.00 0.96 H new ATOM 0 HE3 LYS A 48 14.891 -6.893 -12.866 1.00 0.96 H new ATOM 0 HZ1 LYS A 48 16.850 -8.606 -12.443 1.00 2.14 H new ATOM 0 HZ2 LYS A 48 16.807 -7.055 -11.753 1.00 2.14 H new ATOM 0 HZ3 LYS A 48 16.322 -8.403 -10.842 1.00 2.14 H new ATOM 795 N GLY A 49 9.010 -8.993 -8.951 1.00 0.30 N ATOM 796 CA GLY A 49 8.018 -9.237 -7.914 1.00 0.29 C ATOM 797 C GLY A 49 7.180 -7.984 -7.654 1.00 0.29 C ATOM 798 O GLY A 49 7.194 -7.062 -8.454 1.00 0.37 O ATOM 0 H GLY A 49 8.841 -8.148 -9.497 1.00 0.30 H new ATOM 0 HA2 GLY A 49 7.367 -10.059 -8.214 1.00 0.29 H new ATOM 0 HA3 GLY A 49 8.516 -9.544 -6.994 1.00 0.29 H new ATOM 802 N ALA A 50 6.435 -7.930 -6.552 1.00 0.25 N ATOM 803 CA ALA A 50 5.500 -6.861 -6.237 1.00 0.29 C ATOM 804 C ALA A 50 5.512 -6.631 -4.728 1.00 0.26 C ATOM 805 O ALA A 50 6.333 -7.206 -4.011 1.00 0.28 O ATOM 806 CB ALA A 50 4.099 -7.244 -6.744 1.00 0.37 C ATOM 0 H ALA A 50 6.469 -8.653 -5.834 1.00 0.25 H new ATOM 0 HA ALA A 50 5.790 -5.933 -6.730 1.00 0.29 H new ATOM 0 HB1 ALA A 50 3.396 -6.445 -6.509 1.00 0.37 H new ATOM 0 HB2 ALA A 50 4.131 -7.394 -7.823 1.00 0.37 H new ATOM 0 HB3 ALA A 50 3.776 -8.165 -6.259 1.00 0.37 H new ATOM 812 N PHE A 51 4.589 -5.808 -4.233 1.00 0.33 N ATOM 813 CA PHE A 51 4.518 -5.447 -2.830 1.00 0.37 C ATOM 814 C PHE A 51 3.199 -5.959 -2.284 1.00 0.31 C ATOM 815 O PHE A 51 2.143 -5.563 -2.765 1.00 0.32 O ATOM 816 CB PHE A 51 4.643 -3.921 -2.681 1.00 0.52 C ATOM 817 CG PHE A 51 6.060 -3.499 -2.366 1.00 0.52 C ATOM 818 CD1 PHE A 51 6.846 -2.749 -3.260 1.00 1.25 C ATOM 819 CD2 PHE A 51 6.617 -3.947 -1.164 1.00 2.13 C ATOM 820 CE1 PHE A 51 8.199 -2.494 -2.965 1.00 1.13 C ATOM 821 CE2 PHE A 51 7.960 -3.693 -0.869 1.00 2.77 C ATOM 822 CZ PHE A 51 8.762 -2.977 -1.771 1.00 1.79 C ATOM 0 H PHE A 51 3.866 -5.372 -4.805 1.00 0.33 H new ATOM 0 HA PHE A 51 5.336 -5.895 -2.266 1.00 0.37 H new ATOM 0 HB2 PHE A 51 4.317 -3.438 -3.602 1.00 0.52 H new ATOM 0 HB3 PHE A 51 3.978 -3.578 -1.889 1.00 0.52 H new ATOM 0 HD1 PHE A 51 6.411 -2.369 -4.173 1.00 1.25 H new ATOM 0 HD2 PHE A 51 6.006 -4.492 -0.460 1.00 2.13 H new ATOM 0 HE1 PHE A 51 8.805 -1.927 -3.657 1.00 1.13 H new ATOM 0 HE2 PHE A 51 8.383 -4.050 0.059 1.00 2.77 H new ATOM 0 HZ PHE A 51 9.804 -2.798 -1.549 1.00 1.79 H new ATOM 832 N ARG A 52 3.230 -6.853 -1.297 1.00 0.34 N ATOM 833 CA ARG A 52 1.988 -7.351 -0.725 1.00 0.29 C ATOM 834 C ARG A 52 1.649 -6.498 0.474 1.00 0.25 C ATOM 835 O ARG A 52 2.537 -6.221 1.282 1.00 0.31 O ATOM 836 CB ARG A 52 2.140 -8.804 -0.303 1.00 0.35 C ATOM 837 CG ARG A 52 0.766 -9.467 -0.183 1.00 0.50 C ATOM 838 CD ARG A 52 0.881 -10.939 0.213 1.00 0.55 C ATOM 839 NE ARG A 52 -0.440 -11.503 0.536 1.00 0.91 N ATOM 840 CZ ARG A 52 -0.797 -12.790 0.412 1.00 1.47 C ATOM 841 NH1 ARG A 52 -1.981 -13.196 0.880 1.00 1.95 N ATOM 842 NH2 ARG A 52 0.018 -13.673 -0.168 1.00 1.97 N ATOM 0 H ARG A 52 4.081 -7.238 -0.887 1.00 0.34 H new ATOM 0 HA ARG A 52 1.191 -7.298 -1.467 1.00 0.29 H new ATOM 0 HB2 ARG A 52 2.748 -9.340 -1.032 1.00 0.35 H new ATOM 0 HB3 ARG A 52 2.663 -8.860 0.652 1.00 0.35 H new ATOM 0 HG2 ARG A 52 0.169 -8.936 0.559 1.00 0.50 H new ATOM 0 HG3 ARG A 52 0.239 -9.386 -1.133 1.00 0.50 H new ATOM 0 HD2 ARG A 52 1.332 -11.504 -0.602 1.00 0.55 H new ATOM 0 HD3 ARG A 52 1.543 -11.037 1.074 1.00 0.55 H new ATOM 0 HE ARG A 52 -1.148 -10.857 0.886 1.00 0.91 H new ATOM 0 HH11 ARG A 52 -2.608 -12.528 1.329 1.00 1.95 H new ATOM 0 HH12 ARG A 52 -2.258 -14.173 0.788 1.00 1.95 H new ATOM 0 HH21 ARG A 52 0.925 -13.372 -0.524 1.00 1.97 H new ATOM 0 HH22 ARG A 52 -0.266 -14.649 -0.256 1.00 1.97 H new ATOM 856 N ILE A 53 0.383 -6.116 0.617 1.00 0.17 N ATOM 857 CA ILE A 53 -0.050 -5.297 1.726 1.00 0.15 C ATOM 858 C ILE A 53 -1.387 -5.810 2.246 1.00 0.15 C ATOM 859 O ILE A 53 -2.134 -6.493 1.543 1.00 0.22 O ATOM 860 CB ILE A 53 -0.075 -3.809 1.323 1.00 0.16 C ATOM 861 CG1 ILE A 53 -1.115 -3.457 0.248 1.00 0.16 C ATOM 862 CG2 ILE A 53 1.305 -3.391 0.798 1.00 0.22 C ATOM 863 CD1 ILE A 53 -1.432 -1.961 0.300 1.00 0.18 C ATOM 0 H ILE A 53 -0.362 -6.368 -0.033 1.00 0.17 H new ATOM 0 HA ILE A 53 0.661 -5.371 2.549 1.00 0.15 H new ATOM 0 HB ILE A 53 -0.352 -3.271 2.229 1.00 0.16 H new ATOM 0 HG12 ILE A 53 -0.735 -3.723 -0.739 1.00 0.16 H new ATOM 0 HG13 ILE A 53 -2.025 -4.036 0.406 1.00 0.16 H new ATOM 0 HG21 ILE A 53 1.283 -2.339 0.514 1.00 0.22 H new ATOM 0 HG22 ILE A 53 2.052 -3.541 1.578 1.00 0.22 H new ATOM 0 HG23 ILE A 53 1.562 -3.996 -0.072 1.00 0.22 H new ATOM 0 HD11 ILE A 53 -2.170 -1.719 -0.465 1.00 0.18 H new ATOM 0 HD12 ILE A 53 -1.831 -1.707 1.282 1.00 0.18 H new ATOM 0 HD13 ILE A 53 -0.521 -1.390 0.120 1.00 0.18 H new ATOM 875 N GLU A 54 -1.675 -5.482 3.499 1.00 0.15 N ATOM 876 CA GLU A 54 -2.881 -5.871 4.199 1.00 0.16 C ATOM 877 C GLU A 54 -3.423 -4.581 4.799 1.00 0.16 C ATOM 878 O GLU A 54 -2.653 -3.816 5.380 1.00 0.21 O ATOM 879 CB GLU A 54 -2.483 -6.897 5.265 1.00 0.20 C ATOM 880 CG GLU A 54 -3.666 -7.431 6.079 1.00 0.31 C ATOM 881 CD GLU A 54 -3.159 -8.090 7.362 1.00 0.71 C ATOM 882 OE1 GLU A 54 -2.156 -8.836 7.274 1.00 1.02 O ATOM 883 OE2 GLU A 54 -3.720 -7.778 8.436 1.00 1.74 O ATOM 0 H GLU A 54 -1.049 -4.917 4.072 1.00 0.15 H new ATOM 0 HA GLU A 54 -3.643 -6.333 3.572 1.00 0.16 H new ATOM 0 HB2 GLU A 54 -1.979 -7.734 4.781 1.00 0.20 H new ATOM 0 HB3 GLU A 54 -1.763 -6.441 5.944 1.00 0.20 H new ATOM 0 HG2 GLU A 54 -4.348 -6.617 6.323 1.00 0.31 H new ATOM 0 HG3 GLU A 54 -4.230 -8.152 5.487 1.00 0.31 H new ATOM 890 N ILE A 55 -4.715 -4.303 4.617 1.00 0.18 N ATOM 891 CA ILE A 55 -5.319 -3.064 5.084 1.00 0.20 C ATOM 892 C ILE A 55 -6.390 -3.444 6.087 1.00 0.22 C ATOM 893 O ILE A 55 -7.347 -4.137 5.747 1.00 0.35 O ATOM 894 CB ILE A 55 -5.951 -2.251 3.942 1.00 0.23 C ATOM 895 CG1 ILE A 55 -5.093 -2.163 2.663 1.00 0.24 C ATOM 896 CG2 ILE A 55 -6.247 -0.838 4.456 1.00 0.33 C ATOM 897 CD1 ILE A 55 -5.814 -2.826 1.491 1.00 0.59 C ATOM 0 H ILE A 55 -5.365 -4.930 4.144 1.00 0.18 H new ATOM 0 HA ILE A 55 -4.547 -2.434 5.526 1.00 0.20 H new ATOM 0 HB ILE A 55 -6.859 -2.779 3.650 1.00 0.23 H new ATOM 0 HG12 ILE A 55 -4.886 -1.119 2.427 1.00 0.24 H new ATOM 0 HG13 ILE A 55 -4.131 -2.649 2.828 1.00 0.24 H new ATOM 0 HG21 ILE A 55 -6.696 -0.247 3.658 1.00 0.33 H new ATOM 0 HG22 ILE A 55 -6.937 -0.894 5.298 1.00 0.33 H new ATOM 0 HG23 ILE A 55 -5.319 -0.366 4.778 1.00 0.33 H new ATOM 0 HD11 ILE A 55 -5.195 -2.755 0.596 1.00 0.59 H new ATOM 0 HD12 ILE A 55 -5.998 -3.875 1.723 1.00 0.59 H new ATOM 0 HD13 ILE A 55 -6.764 -2.321 1.316 1.00 0.59 H new ATOM 909 N ASN A 56 -6.255 -2.987 7.322 1.00 0.33 N ATOM 910 CA ASN A 56 -7.220 -3.307 8.348 1.00 0.28 C ATOM 911 C ASN A 56 -8.222 -2.158 8.395 1.00 0.27 C ATOM 912 O ASN A 56 -7.912 -1.087 8.921 1.00 0.31 O ATOM 913 CB ASN A 56 -6.495 -3.507 9.688 1.00 0.32 C ATOM 914 CG ASN A 56 -5.289 -4.433 9.552 1.00 0.36 C ATOM 915 OD1 ASN A 56 -4.152 -3.973 9.593 1.00 1.18 O ATOM 916 ND2 ASN A 56 -5.519 -5.723 9.353 1.00 1.00 N ATOM 0 H ASN A 56 -5.485 -2.394 7.633 1.00 0.33 H new ATOM 0 HA ASN A 56 -7.751 -4.235 8.136 1.00 0.28 H new ATOM 0 HB2 ASN A 56 -6.169 -2.540 10.072 1.00 0.32 H new ATOM 0 HB3 ASN A 56 -7.190 -3.922 10.418 1.00 0.32 H new ATOM 0 HD21 ASN A 56 -4.738 -6.367 9.228 1.00 1.00 H new ATOM 0 HD22 ASN A 56 -6.477 -6.072 9.325 1.00 1.00 H new ATOM 923 N PHE A 57 -9.416 -2.374 7.834 1.00 0.29 N ATOM 924 CA PHE A 57 -10.531 -1.436 7.927 1.00 0.29 C ATOM 925 C PHE A 57 -11.520 -2.003 8.945 1.00 0.37 C ATOM 926 O PHE A 57 -12.365 -2.812 8.580 1.00 0.51 O ATOM 927 CB PHE A 57 -11.216 -1.258 6.556 1.00 0.38 C ATOM 928 CG PHE A 57 -10.853 -0.011 5.774 1.00 0.41 C ATOM 929 CD1 PHE A 57 -11.795 1.023 5.609 1.00 1.55 C ATOM 930 CD2 PHE A 57 -9.607 0.085 5.137 1.00 2.14 C ATOM 931 CE1 PHE A 57 -11.511 2.121 4.780 1.00 1.34 C ATOM 932 CE2 PHE A 57 -9.305 1.206 4.341 1.00 2.50 C ATOM 933 CZ PHE A 57 -10.265 2.212 4.140 1.00 1.15 C ATOM 0 H PHE A 57 -9.634 -3.214 7.298 1.00 0.29 H new ATOM 0 HA PHE A 57 -10.173 -0.455 8.240 1.00 0.29 H new ATOM 0 HB2 PHE A 57 -10.980 -2.127 5.941 1.00 0.38 H new ATOM 0 HB3 PHE A 57 -12.295 -1.261 6.711 1.00 0.38 H new ATOM 0 HD1 PHE A 57 -12.743 0.971 6.124 1.00 1.55 H new ATOM 0 HD2 PHE A 57 -8.878 -0.703 5.257 1.00 2.14 H new ATOM 0 HE1 PHE A 57 -12.251 2.894 4.635 1.00 1.34 H new ATOM 0 HE2 PHE A 57 -8.331 1.293 3.883 1.00 2.50 H new ATOM 0 HZ PHE A 57 -10.045 3.051 3.496 1.00 1.15 H new ATOM 943 N PRO A 58 -11.445 -1.625 10.227 1.00 0.36 N ATOM 944 CA PRO A 58 -12.367 -2.149 11.220 1.00 0.40 C ATOM 945 C PRO A 58 -13.774 -1.595 10.983 1.00 0.38 C ATOM 946 O PRO A 58 -13.978 -0.678 10.189 1.00 0.36 O ATOM 947 CB PRO A 58 -11.787 -1.712 12.568 1.00 0.42 C ATOM 948 CG PRO A 58 -11.036 -0.425 12.226 1.00 0.38 C ATOM 949 CD PRO A 58 -10.496 -0.702 10.823 1.00 0.34 C ATOM 0 HA PRO A 58 -12.468 -3.233 11.175 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -12.570 -1.537 13.305 1.00 0.42 H new ATOM 0 HB3 PRO A 58 -11.121 -2.468 12.984 1.00 0.42 H new ATOM 0 HG2 PRO A 58 -11.696 0.443 12.240 1.00 0.38 H new ATOM 0 HG3 PRO A 58 -10.233 -0.226 12.935 1.00 0.38 H new ATOM 0 HD2 PRO A 58 -10.421 0.217 10.241 1.00 0.34 H new ATOM 0 HD3 PRO A 58 -9.497 -1.136 10.864 1.00 0.34 H new ATOM 957 N ALA A 59 -14.760 -2.117 11.719 1.00 0.40 N ATOM 958 CA ALA A 59 -16.116 -1.579 11.680 1.00 0.40 C ATOM 959 C ALA A 59 -16.117 -0.089 11.991 1.00 0.35 C ATOM 960 O ALA A 59 -16.904 0.671 11.434 1.00 0.35 O ATOM 961 CB ALA A 59 -17.013 -2.324 12.663 1.00 0.44 C ATOM 0 H ALA A 59 -14.641 -2.911 12.348 1.00 0.40 H new ATOM 0 HA ALA A 59 -16.508 -1.719 10.672 1.00 0.40 H new ATOM 0 HB1 ALA A 59 -18.021 -1.910 12.621 1.00 0.44 H new ATOM 0 HB2 ALA A 59 -17.043 -3.381 12.399 1.00 0.44 H new ATOM 0 HB3 ALA A 59 -16.617 -2.214 13.672 1.00 0.44 H new ATOM 967 N GLU A 60 -15.197 0.323 12.858 1.00 0.34 N ATOM 968 CA GLU A 60 -14.981 1.698 13.255 1.00 0.32 C ATOM 969 C GLU A 60 -14.299 2.534 12.168 1.00 0.32 C ATOM 970 O GLU A 60 -13.757 3.584 12.483 1.00 0.33 O ATOM 971 CB GLU A 60 -14.099 1.690 14.504 1.00 0.37 C ATOM 972 CG GLU A 60 -14.739 0.916 15.654 1.00 0.46 C ATOM 973 CD GLU A 60 -13.867 1.118 16.888 1.00 0.57 C ATOM 974 OE1 GLU A 60 -12.819 0.445 16.981 1.00 1.69 O ATOM 975 OE2 GLU A 60 -14.125 2.073 17.656 1.00 1.69 O ATOM 0 H GLU A 60 -14.558 -0.325 13.319 1.00 0.34 H new ATOM 0 HA GLU A 60 -15.953 2.154 13.441 1.00 0.32 H new ATOM 0 HB2 GLU A 60 -13.133 1.247 14.262 1.00 0.37 H new ATOM 0 HB3 GLU A 60 -13.909 2.716 14.820 1.00 0.37 H new ATOM 0 HG2 GLU A 60 -15.752 1.273 15.839 1.00 0.46 H new ATOM 0 HG3 GLU A 60 -14.814 -0.143 15.408 1.00 0.46 H new ATOM 982 N TYR A 61 -14.339 2.139 10.895 1.00 0.33 N ATOM 983 CA TYR A 61 -13.775 2.951 9.817 1.00 0.38 C ATOM 984 C TYR A 61 -14.274 4.409 9.837 1.00 0.33 C ATOM 985 O TYR A 61 -13.465 5.327 9.707 1.00 0.29 O ATOM 986 CB TYR A 61 -13.973 2.244 8.465 1.00 0.50 C ATOM 987 CG TYR A 61 -14.526 3.087 7.328 1.00 0.51 C ATOM 988 CD1 TYR A 61 -13.722 4.045 6.685 1.00 2.01 C ATOM 989 CD2 TYR A 61 -15.857 2.907 6.913 1.00 1.89 C ATOM 990 CE1 TYR A 61 -14.238 4.797 5.612 1.00 2.00 C ATOM 991 CE2 TYR A 61 -16.383 3.665 5.859 1.00 1.94 C ATOM 992 CZ TYR A 61 -15.572 4.599 5.181 1.00 0.64 C ATOM 993 OH TYR A 61 -16.083 5.279 4.114 1.00 0.78 O ATOM 0 H TYR A 61 -14.756 1.261 10.585 1.00 0.33 H new ATOM 0 HA TYR A 61 -12.701 3.039 9.982 1.00 0.38 H new ATOM 0 HB2 TYR A 61 -13.012 1.837 8.150 1.00 0.50 H new ATOM 0 HB3 TYR A 61 -14.643 1.398 8.618 1.00 0.50 H new ATOM 0 HD1 TYR A 61 -12.706 4.204 7.015 1.00 2.01 H new ATOM 0 HD2 TYR A 61 -16.479 2.178 7.411 1.00 1.89 H new ATOM 0 HE1 TYR A 61 -13.615 5.527 5.117 1.00 2.00 H new ATOM 0 HE2 TYR A 61 -17.414 3.534 5.564 1.00 1.94 H new ATOM 0 HH TYR A 61 -15.350 5.659 3.586 1.00 0.78 H new ATOM 1003 N PRO A 62 -15.577 4.687 10.011 1.00 0.37 N ATOM 1004 CA PRO A 62 -16.037 6.062 10.030 1.00 0.37 C ATOM 1005 C PRO A 62 -15.745 6.748 11.374 1.00 0.35 C ATOM 1006 O PRO A 62 -15.950 7.950 11.502 1.00 0.40 O ATOM 1007 CB PRO A 62 -17.529 5.985 9.708 1.00 0.40 C ATOM 1008 CG PRO A 62 -17.957 4.614 10.231 1.00 0.40 C ATOM 1009 CD PRO A 62 -16.686 3.763 10.198 1.00 0.45 C ATOM 0 HA PRO A 62 -15.512 6.680 9.302 1.00 0.37 H new ATOM 0 HB2 PRO A 62 -18.083 6.787 10.195 1.00 0.40 H new ATOM 0 HB3 PRO A 62 -17.710 6.077 8.637 1.00 0.40 H new ATOM 0 HG2 PRO A 62 -18.358 4.685 11.242 1.00 0.40 H new ATOM 0 HG3 PRO A 62 -18.739 4.180 9.607 1.00 0.40 H new ATOM 0 HD2 PRO A 62 -16.571 3.201 11.125 1.00 0.45 H new ATOM 0 HD3 PRO A 62 -16.727 3.036 9.387 1.00 0.45 H new ATOM 1017 N PHE A 63 -15.265 6.009 12.378 1.00 0.33 N ATOM 1018 CA PHE A 63 -14.876 6.529 13.683 1.00 0.33 C ATOM 1019 C PHE A 63 -13.374 6.823 13.765 1.00 0.32 C ATOM 1020 O PHE A 63 -12.976 7.688 14.539 1.00 0.35 O ATOM 1021 CB PHE A 63 -15.269 5.530 14.780 1.00 0.36 C ATOM 1022 CG PHE A 63 -16.693 5.663 15.281 1.00 0.43 C ATOM 1023 CD1 PHE A 63 -17.776 5.389 14.427 1.00 2.14 C ATOM 1024 CD2 PHE A 63 -16.936 6.047 16.613 1.00 1.64 C ATOM 1025 CE1 PHE A 63 -19.095 5.507 14.899 1.00 2.50 C ATOM 1026 CE2 PHE A 63 -18.254 6.160 17.087 1.00 1.49 C ATOM 1027 CZ PHE A 63 -19.334 5.893 16.229 1.00 1.18 C ATOM 0 H PHE A 63 -15.134 5.001 12.298 1.00 0.33 H new ATOM 0 HA PHE A 63 -15.404 7.471 13.830 1.00 0.33 H new ATOM 0 HB2 PHE A 63 -15.126 4.519 14.399 1.00 0.36 H new ATOM 0 HB3 PHE A 63 -14.589 5.652 15.623 1.00 0.36 H new ATOM 0 HD1 PHE A 63 -17.594 5.087 13.406 1.00 2.14 H new ATOM 0 HD2 PHE A 63 -16.107 6.255 17.273 1.00 1.64 H new ATOM 0 HE1 PHE A 63 -19.925 5.301 14.239 1.00 2.50 H new ATOM 0 HE2 PHE A 63 -18.437 6.452 18.111 1.00 1.49 H new ATOM 0 HZ PHE A 63 -20.347 5.984 16.591 1.00 1.18 H new ATOM 1037 N LYS A 64 -12.519 6.094 13.041 1.00 0.32 N ATOM 1038 CA LYS A 64 -11.069 6.261 13.136 1.00 0.33 C ATOM 1039 C LYS A 64 -10.431 5.740 11.853 1.00 0.35 C ATOM 1040 O LYS A 64 -10.986 4.841 11.225 1.00 0.38 O ATOM 1041 CB LYS A 64 -10.537 5.515 14.374 1.00 0.40 C ATOM 1042 CG LYS A 64 -10.655 3.988 14.263 1.00 1.22 C ATOM 1043 CD LYS A 64 -10.407 3.288 15.605 1.00 1.53 C ATOM 1044 CE LYS A 64 -11.552 3.588 16.578 1.00 2.86 C ATOM 1045 NZ LYS A 64 -11.517 2.728 17.777 1.00 3.36 N ATOM 0 H LYS A 64 -12.812 5.377 12.377 1.00 0.32 H new ATOM 0 HA LYS A 64 -10.814 7.315 13.251 1.00 0.33 H new ATOM 0 HB2 LYS A 64 -9.491 5.781 14.528 1.00 0.40 H new ATOM 0 HB3 LYS A 64 -11.084 5.851 15.255 1.00 0.40 H new ATOM 0 HG2 LYS A 64 -11.648 3.728 13.898 1.00 1.22 H new ATOM 0 HG3 LYS A 64 -9.939 3.623 13.527 1.00 1.22 H new ATOM 0 HD2 LYS A 64 -10.323 2.212 15.452 1.00 1.53 H new ATOM 0 HD3 LYS A 64 -9.461 3.625 16.030 1.00 1.53 H new ATOM 0 HE2 LYS A 64 -11.500 4.633 16.883 1.00 2.86 H new ATOM 0 HE3 LYS A 64 -12.504 3.452 16.066 1.00 2.86 H new ATOM 0 HZ1 LYS A 64 -12.430 2.785 18.272 1.00 3.36 H new ATOM 0 HZ2 LYS A 64 -11.338 1.744 17.493 1.00 3.36 H new ATOM 0 HZ3 LYS A 64 -10.758 3.049 18.412 1.00 3.36 H new ATOM 1059 N PRO A 65 -9.279 6.279 11.436 1.00 0.33 N ATOM 1060 CA PRO A 65 -8.673 5.864 10.190 1.00 0.33 C ATOM 1061 C PRO A 65 -8.154 4.424 10.306 1.00 0.32 C ATOM 1062 O PRO A 65 -7.758 3.983 11.386 1.00 0.36 O ATOM 1063 CB PRO A 65 -7.552 6.870 9.924 1.00 0.35 C ATOM 1064 CG PRO A 65 -7.160 7.340 11.324 1.00 0.36 C ATOM 1065 CD PRO A 65 -8.479 7.293 12.099 1.00 0.34 C ATOM 0 HA PRO A 65 -9.381 5.857 9.361 1.00 0.33 H new ATOM 0 HB2 PRO A 65 -6.712 6.408 9.405 1.00 0.35 H new ATOM 0 HB3 PRO A 65 -7.894 7.698 9.303 1.00 0.35 H new ATOM 0 HG2 PRO A 65 -6.409 6.689 11.770 1.00 0.36 H new ATOM 0 HG3 PRO A 65 -6.740 8.346 11.307 1.00 0.36 H new ATOM 0 HD2 PRO A 65 -8.311 7.039 13.146 1.00 0.34 H new ATOM 0 HD3 PRO A 65 -8.979 8.261 12.082 1.00 0.34 H new ATOM 1073 N PRO A 66 -8.150 3.693 9.187 1.00 0.31 N ATOM 1074 CA PRO A 66 -7.618 2.345 9.085 1.00 0.30 C ATOM 1075 C PRO A 66 -6.094 2.371 9.170 1.00 0.28 C ATOM 1076 O PRO A 66 -5.463 3.427 9.113 1.00 0.29 O ATOM 1077 CB PRO A 66 -8.095 1.829 7.726 1.00 0.35 C ATOM 1078 CG PRO A 66 -8.206 3.104 6.897 1.00 0.40 C ATOM 1079 CD PRO A 66 -8.617 4.168 7.902 1.00 0.38 C ATOM 0 HA PRO A 66 -7.958 1.700 9.895 1.00 0.30 H new ATOM 0 HB2 PRO A 66 -7.387 1.124 7.290 1.00 0.35 H new ATOM 0 HB3 PRO A 66 -9.052 1.313 7.803 1.00 0.35 H new ATOM 0 HG2 PRO A 66 -7.258 3.352 6.419 1.00 0.40 H new ATOM 0 HG3 PRO A 66 -8.945 3.000 6.103 1.00 0.40 H new ATOM 0 HD2 PRO A 66 -8.172 5.132 7.656 1.00 0.38 H new ATOM 0 HD3 PRO A 66 -9.698 4.307 7.905 1.00 0.38 H new ATOM 1087 N LYS A 67 -5.494 1.186 9.250 1.00 0.29 N ATOM 1088 CA LYS A 67 -4.049 1.016 9.229 1.00 0.29 C ATOM 1089 C LYS A 67 -3.716 0.106 8.062 1.00 0.26 C ATOM 1090 O LYS A 67 -4.572 -0.632 7.578 1.00 0.37 O ATOM 1091 CB LYS A 67 -3.574 0.408 10.557 1.00 0.40 C ATOM 1092 CG LYS A 67 -3.177 1.476 11.590 1.00 0.96 C ATOM 1093 CD LYS A 67 -1.669 1.794 11.578 1.00 0.87 C ATOM 1094 CE LYS A 67 -1.106 1.893 13.003 1.00 1.62 C ATOM 1095 NZ LYS A 67 -1.120 0.586 13.701 1.00 2.46 N ATOM 0 H LYS A 67 -6.007 0.308 9.332 1.00 0.29 H new ATOM 0 HA LYS A 67 -3.543 1.974 9.109 1.00 0.29 H new ATOM 0 HB2 LYS A 67 -4.367 -0.215 10.971 1.00 0.40 H new ATOM 0 HB3 LYS A 67 -2.721 -0.244 10.369 1.00 0.40 H new ATOM 0 HG2 LYS A 67 -3.737 2.390 11.393 1.00 0.96 H new ATOM 0 HG3 LYS A 67 -3.463 1.135 12.585 1.00 0.96 H new ATOM 0 HD2 LYS A 67 -1.136 1.018 11.028 1.00 0.87 H new ATOM 0 HD3 LYS A 67 -1.498 2.733 11.051 1.00 0.87 H new ATOM 0 HE2 LYS A 67 -0.084 2.271 12.963 1.00 1.62 H new ATOM 0 HE3 LYS A 67 -1.691 2.614 13.574 1.00 1.62 H new ATOM 0 HZ1 LYS A 67 -0.435 0.603 14.484 1.00 2.46 H new ATOM 0 HZ2 LYS A 67 -2.072 0.404 14.078 1.00 2.46 H new ATOM 0 HZ3 LYS A 67 -0.862 -0.168 13.032 1.00 2.46 H new ATOM 1109 N ILE A 68 -2.465 0.150 7.623 1.00 0.19 N ATOM 1110 CA ILE A 68 -1.960 -0.717 6.573 1.00 0.18 C ATOM 1111 C ILE A 68 -0.646 -1.284 7.087 1.00 0.17 C ATOM 1112 O ILE A 68 0.079 -0.587 7.797 1.00 0.21 O ATOM 1113 CB ILE A 68 -1.736 0.075 5.272 1.00 0.19 C ATOM 1114 CG1 ILE A 68 -2.703 1.266 5.138 1.00 0.25 C ATOM 1115 CG2 ILE A 68 -1.834 -0.847 4.049 1.00 0.24 C ATOM 1116 CD1 ILE A 68 -2.403 2.078 3.894 1.00 0.29 C ATOM 0 H ILE A 68 -1.767 0.796 7.991 1.00 0.19 H new ATOM 0 HA ILE A 68 -2.671 -1.510 6.341 1.00 0.18 H new ATOM 0 HB ILE A 68 -0.728 0.487 5.319 1.00 0.19 H new ATOM 0 HG12 ILE A 68 -3.730 0.902 5.099 1.00 0.25 H new ATOM 0 HG13 ILE A 68 -2.624 1.903 6.019 1.00 0.25 H new ATOM 0 HG21 ILE A 68 -1.672 -0.266 3.141 1.00 0.24 H new ATOM 0 HG22 ILE A 68 -1.076 -1.627 4.120 1.00 0.24 H new ATOM 0 HG23 ILE A 68 -2.823 -1.304 4.016 1.00 0.24 H new ATOM 0 HD11 ILE A 68 -3.102 2.912 3.826 1.00 0.29 H new ATOM 0 HD12 ILE A 68 -1.384 2.462 3.947 1.00 0.29 H new ATOM 0 HD13 ILE A 68 -2.507 1.445 3.013 1.00 0.29 H new ATOM 1128 N THR A 69 -0.327 -2.524 6.725 1.00 0.16 N ATOM 1129 CA THR A 69 0.964 -3.095 7.050 1.00 0.15 C ATOM 1130 C THR A 69 1.408 -3.948 5.867 1.00 0.16 C ATOM 1131 O THR A 69 0.674 -4.831 5.418 1.00 0.20 O ATOM 1132 CB THR A 69 0.866 -3.934 8.333 1.00 0.18 C ATOM 1133 OG1 THR A 69 -0.035 -3.369 9.264 1.00 0.26 O ATOM 1134 CG2 THR A 69 2.234 -4.024 9.004 1.00 0.22 C ATOM 0 H THR A 69 -0.948 -3.146 6.208 1.00 0.16 H new ATOM 0 HA THR A 69 1.697 -2.309 7.232 1.00 0.15 H new ATOM 0 HB THR A 69 0.507 -4.921 8.040 1.00 0.18 H new ATOM 0 HG1 THR A 69 -0.072 -3.931 10.066 1.00 0.26 H new ATOM 0 HG21 THR A 69 2.155 -4.621 9.913 1.00 0.22 H new ATOM 0 HG22 THR A 69 2.943 -4.493 8.322 1.00 0.22 H new ATOM 0 HG23 THR A 69 2.582 -3.022 9.257 1.00 0.22 H new ATOM 1142 N PHE A 70 2.595 -3.673 5.331 1.00 0.15 N ATOM 1143 CA PHE A 70 3.154 -4.469 4.258 1.00 0.15 C ATOM 1144 C PHE A 70 3.549 -5.830 4.822 1.00 0.15 C ATOM 1145 O PHE A 70 4.011 -5.934 5.956 1.00 0.22 O ATOM 1146 CB PHE A 70 4.354 -3.763 3.612 1.00 0.16 C ATOM 1147 CG PHE A 70 4.013 -2.587 2.706 1.00 0.17 C ATOM 1148 CD1 PHE A 70 3.133 -1.560 3.105 1.00 0.17 C ATOM 1149 CD2 PHE A 70 4.588 -2.530 1.424 1.00 0.21 C ATOM 1150 CE1 PHE A 70 2.855 -0.492 2.238 1.00 0.18 C ATOM 1151 CE2 PHE A 70 4.341 -1.445 0.568 1.00 0.23 C ATOM 1152 CZ PHE A 70 3.486 -0.413 0.985 1.00 0.21 C ATOM 0 H PHE A 70 3.187 -2.898 5.630 1.00 0.15 H new ATOM 0 HA PHE A 70 2.409 -4.602 3.473 1.00 0.15 H new ATOM 0 HB2 PHE A 70 5.015 -3.410 4.404 1.00 0.16 H new ATOM 0 HB3 PHE A 70 4.915 -4.495 3.032 1.00 0.16 H new ATOM 0 HD1 PHE A 70 2.672 -1.595 4.081 1.00 0.17 H new ATOM 0 HD2 PHE A 70 5.229 -3.333 1.093 1.00 0.21 H new ATOM 0 HE1 PHE A 70 2.153 0.273 2.535 1.00 0.18 H new ATOM 0 HE2 PHE A 70 4.806 -1.405 -0.406 1.00 0.23 H new ATOM 0 HZ PHE A 70 3.314 0.439 0.345 1.00 0.21 H new ATOM 1162 N LYS A 71 3.349 -6.882 4.031 1.00 0.28 N ATOM 1163 CA LYS A 71 3.800 -8.223 4.367 1.00 0.33 C ATOM 1164 C LYS A 71 5.207 -8.433 3.812 1.00 0.36 C ATOM 1165 O LYS A 71 6.010 -9.125 4.432 1.00 0.41 O ATOM 1166 CB LYS A 71 2.842 -9.279 3.796 1.00 0.33 C ATOM 1167 CG LYS A 71 1.341 -9.030 4.035 1.00 0.46 C ATOM 1168 CD LYS A 71 0.858 -9.312 5.462 1.00 0.55 C ATOM 1169 CE LYS A 71 1.284 -8.237 6.468 1.00 0.97 C ATOM 1170 NZ LYS A 71 0.546 -8.384 7.740 1.00 1.39 N ATOM 0 H LYS A 71 2.866 -6.824 3.134 1.00 0.28 H new ATOM 0 HA LYS A 71 3.814 -8.332 5.451 1.00 0.33 H new ATOM 0 HB2 LYS A 71 3.011 -9.351 2.722 1.00 0.33 H new ATOM 0 HB3 LYS A 71 3.102 -10.247 4.225 1.00 0.33 H new ATOM 0 HG2 LYS A 71 1.116 -7.992 3.790 1.00 0.46 H new ATOM 0 HG3 LYS A 71 0.770 -9.651 3.345 1.00 0.46 H new ATOM 0 HD2 LYS A 71 -0.229 -9.390 5.462 1.00 0.55 H new ATOM 0 HD3 LYS A 71 1.246 -10.278 5.786 1.00 0.55 H new ATOM 0 HE2 LYS A 71 2.355 -8.311 6.654 1.00 0.97 H new ATOM 0 HE3 LYS A 71 1.101 -7.248 6.049 1.00 0.97 H new ATOM 0 HZ1 LYS A 71 0.839 -7.635 8.400 1.00 1.39 H new ATOM 0 HZ2 LYS A 71 -0.475 -8.307 7.560 1.00 1.39 H new ATOM 0 HZ3 LYS A 71 0.755 -9.314 8.157 1.00 1.39 H new ATOM 1184 N THR A 72 5.510 -7.881 2.633 1.00 0.35 N ATOM 1185 CA THR A 72 6.819 -8.061 2.032 1.00 0.36 C ATOM 1186 C THR A 72 7.744 -6.931 2.496 1.00 0.43 C ATOM 1187 O THR A 72 7.287 -5.857 2.877 1.00 0.51 O ATOM 1188 CB THR A 72 6.678 -8.150 0.507 1.00 0.33 C ATOM 1189 OG1 THR A 72 6.047 -7.001 -0.014 1.00 0.42 O ATOM 1190 CG2 THR A 72 5.827 -9.359 0.108 1.00 0.28 C ATOM 0 H THR A 72 4.866 -7.311 2.085 1.00 0.35 H new ATOM 0 HA THR A 72 7.274 -8.998 2.355 1.00 0.36 H new ATOM 0 HB THR A 72 7.687 -8.242 0.104 1.00 0.33 H new ATOM 0 HG1 THR A 72 6.723 -6.324 -0.227 1.00 0.42 H new ATOM 0 HG21 THR A 72 5.741 -9.401 -0.978 1.00 0.28 H new ATOM 0 HG22 THR A 72 6.299 -10.272 0.470 1.00 0.28 H new ATOM 0 HG23 THR A 72 4.834 -9.266 0.547 1.00 0.28 H new ATOM 1198 N LYS A 73 9.055 -7.180 2.478 1.00 0.45 N ATOM 1199 CA LYS A 73 10.082 -6.294 3.014 1.00 0.36 C ATOM 1200 C LYS A 73 10.146 -5.011 2.197 1.00 0.47 C ATOM 1201 O LYS A 73 10.195 -5.088 0.973 1.00 0.89 O ATOM 1202 CB LYS A 73 11.432 -7.029 2.953 1.00 0.41 C ATOM 1203 CG LYS A 73 12.124 -7.114 4.308 1.00 0.77 C ATOM 1204 CD LYS A 73 11.271 -7.937 5.279 1.00 0.49 C ATOM 1205 CE LYS A 73 12.175 -8.691 6.255 1.00 0.66 C ATOM 1206 NZ LYS A 73 11.387 -9.571 7.142 1.00 1.48 N ATOM 0 H LYS A 73 9.441 -8.034 2.075 1.00 0.45 H new ATOM 0 HA LYS A 73 9.847 -6.029 4.045 1.00 0.36 H new ATOM 0 HB2 LYS A 73 11.274 -8.036 2.568 1.00 0.41 H new ATOM 0 HB3 LYS A 73 12.087 -6.517 2.248 1.00 0.41 H new ATOM 0 HG2 LYS A 73 13.107 -7.572 4.196 1.00 0.77 H new ATOM 0 HG3 LYS A 73 12.283 -6.113 4.708 1.00 0.77 H new ATOM 0 HD2 LYS A 73 10.595 -7.282 5.828 1.00 0.49 H new ATOM 0 HD3 LYS A 73 10.651 -8.642 4.725 1.00 0.49 H new ATOM 0 HE2 LYS A 73 12.899 -9.286 5.698 1.00 0.66 H new ATOM 0 HE3 LYS A 73 12.741 -7.979 6.855 1.00 0.66 H new ATOM 0 HZ1 LYS A 73 12.026 -10.070 7.793 1.00 1.48 H new ATOM 0 HZ2 LYS A 73 10.713 -8.999 7.689 1.00 1.48 H new ATOM 0 HZ3 LYS A 73 10.866 -10.265 6.569 1.00 1.48 H new ATOM 1220 N ILE A 74 10.178 -3.845 2.848 1.00 0.22 N ATOM 1221 CA ILE A 74 10.032 -2.567 2.162 1.00 0.23 C ATOM 1222 C ILE A 74 11.342 -1.794 2.117 1.00 0.23 C ATOM 1223 O ILE A 74 12.098 -1.774 3.079 1.00 0.41 O ATOM 1224 CB ILE A 74 8.882 -1.746 2.774 1.00 0.29 C ATOM 1225 CG1 ILE A 74 9.081 -1.317 4.237 1.00 0.32 C ATOM 1226 CG2 ILE A 74 7.588 -2.560 2.719 1.00 0.38 C ATOM 1227 CD1 ILE A 74 10.007 -0.111 4.417 1.00 0.41 C ATOM 0 H ILE A 74 10.305 -3.764 3.857 1.00 0.22 H new ATOM 0 HA ILE A 74 9.767 -2.771 1.124 1.00 0.23 H new ATOM 0 HB ILE A 74 8.847 -0.836 2.175 1.00 0.29 H new ATOM 0 HG12 ILE A 74 8.109 -1.082 4.671 1.00 0.32 H new ATOM 0 HG13 ILE A 74 9.486 -2.159 4.799 1.00 0.32 H new ATOM 0 HG21 ILE A 74 6.774 -1.979 3.152 1.00 0.38 H new ATOM 0 HG22 ILE A 74 7.352 -2.798 1.682 1.00 0.38 H new ATOM 0 HG23 ILE A 74 7.715 -3.484 3.284 1.00 0.38 H new ATOM 0 HD11 ILE A 74 10.094 0.126 5.477 1.00 0.41 H new ATOM 0 HD12 ILE A 74 10.993 -0.346 4.016 1.00 0.41 H new ATOM 0 HD13 ILE A 74 9.595 0.747 3.886 1.00 0.41 H new ATOM 1239 N TYR A 75 11.578 -1.120 0.989 1.00 0.19 N ATOM 1240 CA TYR A 75 12.743 -0.273 0.759 1.00 0.31 C ATOM 1241 C TYR A 75 12.253 1.109 0.321 1.00 0.55 C ATOM 1242 O TYR A 75 12.786 1.730 -0.593 1.00 1.32 O ATOM 1243 CB TYR A 75 13.667 -0.944 -0.277 1.00 0.42 C ATOM 1244 CG TYR A 75 15.103 -1.097 0.180 1.00 0.71 C ATOM 1245 CD1 TYR A 75 15.741 -2.335 0.028 1.00 2.15 C ATOM 1246 CD2 TYR A 75 15.806 -0.022 0.753 1.00 1.83 C ATOM 1247 CE1 TYR A 75 17.058 -2.530 0.469 1.00 2.46 C ATOM 1248 CE2 TYR A 75 17.128 -0.201 1.199 1.00 2.23 C ATOM 1249 CZ TYR A 75 17.764 -1.455 1.051 1.00 1.85 C ATOM 1250 OH TYR A 75 19.073 -1.600 1.396 1.00 2.43 O ATOM 0 H TYR A 75 10.944 -1.152 0.190 1.00 0.19 H new ATOM 0 HA TYR A 75 13.332 -0.145 1.667 1.00 0.31 H new ATOM 0 HB2 TYR A 75 13.268 -1.929 -0.520 1.00 0.42 H new ATOM 0 HB3 TYR A 75 13.650 -0.358 -1.196 1.00 0.42 H new ATOM 0 HD1 TYR A 75 15.210 -3.153 -0.436 1.00 2.15 H new ATOM 0 HD2 TYR A 75 15.330 0.943 0.851 1.00 1.83 H new ATOM 0 HE1 TYR A 75 17.529 -3.496 0.364 1.00 2.46 H new ATOM 0 HE2 TYR A 75 17.658 0.621 1.656 1.00 2.23 H new ATOM 0 HH TYR A 75 19.575 -1.953 0.632 1.00 2.43 H new ATOM 1260 N HIS A 76 11.187 1.587 0.963 1.00 0.30 N ATOM 1261 CA HIS A 76 10.535 2.839 0.631 1.00 0.23 C ATOM 1262 C HIS A 76 10.289 3.577 1.934 1.00 0.20 C ATOM 1263 O HIS A 76 9.723 2.984 2.846 1.00 0.23 O ATOM 1264 CB HIS A 76 9.205 2.562 -0.077 1.00 0.30 C ATOM 1265 CG HIS A 76 9.385 2.163 -1.515 1.00 0.51 C ATOM 1266 ND1 HIS A 76 9.539 0.878 -2.008 1.00 0.76 N ATOM 1267 CD2 HIS A 76 9.384 3.033 -2.565 1.00 1.06 C ATOM 1268 CE1 HIS A 76 9.654 0.975 -3.345 1.00 1.15 C ATOM 1269 NE2 HIS A 76 9.539 2.268 -3.701 1.00 1.39 N ATOM 0 H HIS A 76 10.749 1.099 1.744 1.00 0.30 H new ATOM 0 HA HIS A 76 11.156 3.435 -0.038 1.00 0.23 H new ATOM 0 HB2 HIS A 76 8.675 1.770 0.452 1.00 0.30 H new ATOM 0 HB3 HIS A 76 8.579 3.453 -0.027 1.00 0.30 H new ATOM 0 HD2 HIS A 76 9.282 4.107 -2.516 1.00 1.06 H new ATOM 0 HE1 HIS A 76 9.813 0.149 -4.023 1.00 1.15 H new ATOM 0 HE2 HIS A 76 9.563 2.624 -4.657 1.00 1.39 H new ATOM 1278 N PRO A 77 10.663 4.857 2.023 1.00 0.21 N ATOM 1279 CA PRO A 77 10.625 5.625 3.260 1.00 0.22 C ATOM 1280 C PRO A 77 9.206 5.891 3.735 1.00 0.21 C ATOM 1281 O PRO A 77 8.974 6.253 4.883 1.00 0.20 O ATOM 1282 CB PRO A 77 11.308 6.944 2.909 1.00 0.25 C ATOM 1283 CG PRO A 77 11.031 7.113 1.416 1.00 0.26 C ATOM 1284 CD PRO A 77 11.104 5.678 0.909 1.00 0.24 C ATOM 0 HA PRO A 77 11.112 5.083 4.071 1.00 0.22 H new ATOM 0 HB2 PRO A 77 10.899 7.772 3.488 1.00 0.25 H new ATOM 0 HB3 PRO A 77 12.378 6.908 3.116 1.00 0.25 H new ATOM 0 HG2 PRO A 77 10.054 7.561 1.231 1.00 0.26 H new ATOM 0 HG3 PRO A 77 11.771 7.753 0.935 1.00 0.26 H new ATOM 0 HD2 PRO A 77 10.465 5.535 0.038 1.00 0.24 H new ATOM 0 HD3 PRO A 77 12.118 5.419 0.606 1.00 0.24 H new ATOM 1292 N ASN A 78 8.249 5.790 2.820 1.00 0.21 N ATOM 1293 CA ASN A 78 6.852 6.108 3.067 1.00 0.17 C ATOM 1294 C ASN A 78 6.230 5.059 3.989 1.00 0.17 C ATOM 1295 O ASN A 78 5.154 5.278 4.546 1.00 0.24 O ATOM 1296 CB ASN A 78 6.114 6.186 1.722 1.00 0.27 C ATOM 1297 CG ASN A 78 7.034 6.683 0.614 1.00 1.01 C ATOM 1298 OD1 ASN A 78 7.573 5.879 -0.135 1.00 2.29 O ATOM 1299 ND2 ASN A 78 7.356 7.969 0.583 1.00 2.08 N ATOM 0 H ASN A 78 8.429 5.478 1.866 1.00 0.21 H new ATOM 0 HA ASN A 78 6.769 7.073 3.567 1.00 0.17 H new ATOM 0 HB2 ASN A 78 5.725 5.202 1.461 1.00 0.27 H new ATOM 0 HB3 ASN A 78 5.257 6.854 1.813 1.00 0.27 H new ATOM 0 HD21 ASN A 78 8.063 8.302 -0.072 1.00 2.08 H new ATOM 0 HD22 ASN A 78 6.897 8.625 1.215 1.00 2.08 H new ATOM 1306 N ILE A 79 6.909 3.917 4.128 1.00 0.16 N ATOM 1307 CA ILE A 79 6.555 2.799 4.971 1.00 0.17 C ATOM 1308 C ILE A 79 7.763 2.590 5.903 1.00 0.19 C ATOM 1309 O ILE A 79 8.838 3.140 5.671 1.00 0.23 O ATOM 1310 CB ILE A 79 6.224 1.597 4.054 1.00 0.19 C ATOM 1311 CG1 ILE A 79 5.264 2.010 2.920 1.00 0.22 C ATOM 1312 CG2 ILE A 79 5.595 0.410 4.803 1.00 0.21 C ATOM 1313 CD1 ILE A 79 5.931 1.996 1.541 1.00 0.43 C ATOM 0 H ILE A 79 7.775 3.750 3.616 1.00 0.16 H new ATOM 0 HA ILE A 79 5.671 2.949 5.590 1.00 0.17 H new ATOM 0 HB ILE A 79 7.184 1.277 3.650 1.00 0.19 H new ATOM 0 HG12 ILE A 79 4.408 1.335 2.911 1.00 0.22 H new ATOM 0 HG13 ILE A 79 4.879 3.010 3.122 1.00 0.22 H new ATOM 0 HG21 ILE A 79 5.389 -0.396 4.099 1.00 0.21 H new ATOM 0 HG22 ILE A 79 6.285 0.056 5.569 1.00 0.21 H new ATOM 0 HG23 ILE A 79 4.664 0.728 5.273 1.00 0.21 H new ATOM 0 HD11 ILE A 79 5.207 2.295 0.783 1.00 0.43 H new ATOM 0 HD12 ILE A 79 6.770 2.692 1.536 1.00 0.43 H new ATOM 0 HD13 ILE A 79 6.291 0.991 1.321 1.00 0.43 H new ATOM 1325 N ASP A 80 7.595 1.827 6.976 1.00 0.22 N ATOM 1326 CA ASP A 80 8.625 1.488 7.945 1.00 0.25 C ATOM 1327 C ASP A 80 9.027 0.033 7.729 1.00 0.22 C ATOM 1328 O ASP A 80 8.294 -0.708 7.078 1.00 0.22 O ATOM 1329 CB ASP A 80 8.015 1.639 9.334 1.00 0.35 C ATOM 1330 CG ASP A 80 8.922 1.105 10.429 1.00 0.40 C ATOM 1331 OD1 ASP A 80 10.117 1.475 10.417 1.00 1.37 O ATOM 1332 OD2 ASP A 80 8.416 0.256 11.197 1.00 1.15 O ATOM 0 H ASP A 80 6.693 1.409 7.203 1.00 0.22 H new ATOM 0 HA ASP A 80 9.499 2.131 7.838 1.00 0.25 H new ATOM 0 HB2 ASP A 80 7.805 2.692 9.522 1.00 0.35 H new ATOM 0 HB3 ASP A 80 7.061 1.112 9.368 1.00 0.35 H new ATOM 1337 N GLU A 81 10.142 -0.416 8.307 1.00 0.24 N ATOM 1338 CA GLU A 81 10.580 -1.798 8.164 1.00 0.25 C ATOM 1339 C GLU A 81 9.498 -2.785 8.596 1.00 0.24 C ATOM 1340 O GLU A 81 9.333 -3.837 7.980 1.00 0.29 O ATOM 1341 CB GLU A 81 11.874 -2.066 8.947 1.00 0.35 C ATOM 1342 CG GLU A 81 13.006 -2.479 7.997 1.00 1.14 C ATOM 1343 CD GLU A 81 14.047 -3.350 8.702 1.00 2.49 C ATOM 1344 OE1 GLU A 81 14.537 -2.913 9.766 1.00 3.30 O ATOM 1345 OE2 GLU A 81 14.318 -4.453 8.174 1.00 3.51 O ATOM 0 H GLU A 81 10.757 0.162 8.879 1.00 0.24 H new ATOM 0 HA GLU A 81 10.779 -1.950 7.103 1.00 0.25 H new ATOM 0 HB2 GLU A 81 12.163 -1.171 9.498 1.00 0.35 H new ATOM 0 HB3 GLU A 81 11.704 -2.853 9.682 1.00 0.35 H new ATOM 0 HG2 GLU A 81 12.589 -3.024 7.150 1.00 1.14 H new ATOM 0 HG3 GLU A 81 13.489 -1.587 7.597 1.00 1.14 H new ATOM 1352 N LYS A 82 8.717 -2.450 9.629 1.00 0.22 N ATOM 1353 CA LYS A 82 7.634 -3.312 10.099 1.00 0.25 C ATOM 1354 C LYS A 82 6.403 -3.222 9.187 1.00 0.22 C ATOM 1355 O LYS A 82 5.302 -3.569 9.607 1.00 0.26 O ATOM 1356 CB LYS A 82 7.314 -2.918 11.555 1.00 0.30 C ATOM 1357 CG LYS A 82 7.699 -3.986 12.582 1.00 0.88 C ATOM 1358 CD LYS A 82 8.241 -3.303 13.846 1.00 1.08 C ATOM 1359 CE LYS A 82 8.089 -4.197 15.078 1.00 1.64 C ATOM 1360 NZ LYS A 82 6.707 -4.156 15.606 1.00 3.17 N ATOM 0 H LYS A 82 8.818 -1.583 10.156 1.00 0.22 H new ATOM 0 HA LYS A 82 7.945 -4.356 10.066 1.00 0.25 H new ATOM 0 HB2 LYS A 82 7.837 -1.992 11.794 1.00 0.30 H new ATOM 0 HB3 LYS A 82 6.247 -2.713 11.640 1.00 0.30 H new ATOM 0 HG2 LYS A 82 6.832 -4.598 12.829 1.00 0.88 H new ATOM 0 HG3 LYS A 82 8.452 -4.654 12.164 1.00 0.88 H new ATOM 0 HD2 LYS A 82 9.293 -3.055 13.704 1.00 1.08 H new ATOM 0 HD3 LYS A 82 7.711 -2.365 14.009 1.00 1.08 H new ATOM 0 HE2 LYS A 82 8.351 -5.223 14.820 1.00 1.64 H new ATOM 0 HE3 LYS A 82 8.786 -3.875 15.852 1.00 1.64 H new ATOM 0 HZ1 LYS A 82 6.636 -4.772 16.441 1.00 3.17 H new ATOM 0 HZ2 LYS A 82 6.467 -3.180 15.874 1.00 3.17 H new ATOM 0 HZ3 LYS A 82 6.046 -4.487 14.874 1.00 3.17 H new ATOM 1374 N GLY A 83 6.547 -2.726 7.958 1.00 0.21 N ATOM 1375 CA GLY A 83 5.469 -2.546 7.010 1.00 0.19 C ATOM 1376 C GLY A 83 4.512 -1.416 7.385 1.00 0.19 C ATOM 1377 O GLY A 83 3.558 -1.188 6.647 1.00 0.18 O ATOM 0 H GLY A 83 7.452 -2.431 7.591 1.00 0.21 H new ATOM 0 HA2 GLY A 83 5.891 -2.343 6.026 1.00 0.19 H new ATOM 0 HA3 GLY A 83 4.907 -3.476 6.930 1.00 0.19 H new ATOM 1381 N GLN A 84 4.728 -0.719 8.503 1.00 0.21 N ATOM 1382 CA GLN A 84 3.811 0.306 8.981 1.00 0.24 C ATOM 1383 C GLN A 84 3.801 1.478 8.012 1.00 0.22 C ATOM 1384 O GLN A 84 4.818 1.776 7.403 1.00 0.25 O ATOM 1385 CB GLN A 84 4.251 0.824 10.353 1.00 0.30 C ATOM 1386 CG GLN A 84 4.309 -0.280 11.406 1.00 0.50 C ATOM 1387 CD GLN A 84 4.771 0.275 12.747 1.00 0.97 C ATOM 1388 OE1 GLN A 84 3.963 0.480 13.646 1.00 1.18 O ATOM 1389 NE2 GLN A 84 6.064 0.533 12.915 1.00 1.59 N ATOM 0 H GLN A 84 5.545 -0.853 9.099 1.00 0.21 H new ATOM 0 HA GLN A 84 2.817 -0.136 9.057 1.00 0.24 H new ATOM 0 HB2 GLN A 84 5.233 1.288 10.264 1.00 0.30 H new ATOM 0 HB3 GLN A 84 3.560 1.600 10.683 1.00 0.30 H new ATOM 0 HG2 GLN A 84 3.325 -0.736 11.516 1.00 0.50 H new ATOM 0 HG3 GLN A 84 4.990 -1.066 11.079 1.00 0.50 H new ATOM 0 HE21 GLN A 84 6.722 0.356 12.156 1.00 1.59 H new ATOM 0 HE22 GLN A 84 6.398 0.908 13.803 1.00 1.59 H new ATOM 1398 N VAL A 85 2.686 2.188 7.908 1.00 0.22 N ATOM 1399 CA VAL A 85 2.570 3.304 6.980 1.00 0.22 C ATOM 1400 C VAL A 85 2.237 4.593 7.728 1.00 0.28 C ATOM 1401 O VAL A 85 1.620 4.548 8.791 1.00 0.33 O ATOM 1402 CB VAL A 85 1.496 2.965 5.948 1.00 0.21 C ATOM 1403 CG1 VAL A 85 1.897 1.751 5.105 1.00 0.22 C ATOM 1404 CG2 VAL A 85 0.147 2.707 6.613 1.00 0.23 C ATOM 0 H VAL A 85 1.845 2.010 8.458 1.00 0.22 H new ATOM 0 HA VAL A 85 3.520 3.467 6.470 1.00 0.22 H new ATOM 0 HB VAL A 85 1.401 3.830 5.292 1.00 0.21 H new ATOM 0 HG11 VAL A 85 1.112 1.536 4.380 1.00 0.22 H new ATOM 0 HG12 VAL A 85 2.827 1.965 4.579 1.00 0.22 H new ATOM 0 HG13 VAL A 85 2.038 0.887 5.755 1.00 0.22 H new ATOM 0 HG21 VAL A 85 -0.595 2.469 5.851 1.00 0.23 H new ATOM 0 HG22 VAL A 85 0.237 1.870 7.306 1.00 0.23 H new ATOM 0 HG23 VAL A 85 -0.166 3.597 7.158 1.00 0.23 H new ATOM 1414 N CYS A 86 2.613 5.750 7.172 1.00 0.30 N ATOM 1415 CA CYS A 86 2.122 7.028 7.666 1.00 0.32 C ATOM 1416 C CYS A 86 1.900 7.964 6.476 1.00 0.33 C ATOM 1417 O CYS A 86 2.817 8.678 6.081 1.00 0.41 O ATOM 1418 CB CYS A 86 3.107 7.620 8.681 1.00 0.35 C ATOM 1419 SG CYS A 86 2.266 8.864 9.695 1.00 0.46 S ATOM 0 H CYS A 86 3.254 5.821 6.382 1.00 0.30 H new ATOM 0 HA CYS A 86 1.173 6.892 8.184 1.00 0.32 H new ATOM 0 HB2 CYS A 86 3.508 6.830 9.316 1.00 0.35 H new ATOM 0 HB3 CYS A 86 3.952 8.071 8.161 1.00 0.35 H new ATOM 0 HG CYS A 86 3.104 9.362 10.555 1.00 0.46 H new ATOM 1425 N LEU A 87 0.705 7.943 5.877 1.00 0.29 N ATOM 1426 CA LEU A 87 0.361 8.797 4.750 1.00 0.28 C ATOM 1427 C LEU A 87 -0.818 9.676 5.152 1.00 0.30 C ATOM 1428 O LEU A 87 -1.660 9.246 5.943 1.00 0.31 O ATOM 1429 CB LEU A 87 -0.055 7.961 3.530 1.00 0.24 C ATOM 1430 CG LEU A 87 0.997 7.039 2.908 1.00 0.20 C ATOM 1431 CD1 LEU A 87 2.362 7.705 2.771 1.00 0.23 C ATOM 1432 CD2 LEU A 87 1.162 5.723 3.650 1.00 0.19 C ATOM 0 H LEU A 87 -0.053 7.325 6.168 1.00 0.29 H new ATOM 0 HA LEU A 87 1.233 9.396 4.487 1.00 0.28 H new ATOM 0 HB2 LEU A 87 -0.909 7.349 3.818 1.00 0.24 H new ATOM 0 HB3 LEU A 87 -0.401 8.646 2.756 1.00 0.24 H new ATOM 0 HG LEU A 87 0.606 6.825 1.913 1.00 0.20 H new ATOM 0 HD11 LEU A 87 3.066 7.003 2.324 1.00 0.23 H new ATOM 0 HD12 LEU A 87 2.275 8.586 2.135 1.00 0.23 H new ATOM 0 HD13 LEU A 87 2.722 8.003 3.756 1.00 0.23 H new ATOM 0 HD21 LEU A 87 1.923 5.119 3.155 1.00 0.19 H new ATOM 0 HD22 LEU A 87 1.467 5.920 4.678 1.00 0.19 H new ATOM 0 HD23 LEU A 87 0.215 5.184 3.650 1.00 0.19 H new ATOM 1444 N PRO A 88 -0.959 10.868 4.559 1.00 0.32 N ATOM 1445 CA PRO A 88 -2.040 11.783 4.884 1.00 0.35 C ATOM 1446 C PRO A 88 -3.425 11.260 4.486 1.00 0.48 C ATOM 1447 O PRO A 88 -4.422 11.856 4.865 1.00 0.86 O ATOM 1448 CB PRO A 88 -1.689 13.103 4.193 1.00 0.37 C ATOM 1449 CG PRO A 88 -0.801 12.671 3.027 1.00 0.36 C ATOM 1450 CD PRO A 88 -0.052 11.466 3.592 1.00 0.32 C ATOM 0 HA PRO A 88 -2.121 11.908 5.964 1.00 0.35 H new ATOM 0 HB2 PRO A 88 -2.581 13.624 3.846 1.00 0.37 H new ATOM 0 HB3 PRO A 88 -1.165 13.782 4.866 1.00 0.37 H new ATOM 0 HG2 PRO A 88 -1.389 12.405 2.149 1.00 0.36 H new ATOM 0 HG3 PRO A 88 -0.118 13.465 2.724 1.00 0.36 H new ATOM 0 HD2 PRO A 88 0.205 10.758 2.804 1.00 0.32 H new ATOM 0 HD3 PRO A 88 0.882 11.770 4.065 1.00 0.32 H new ATOM 1458 N VAL A 89 -3.528 10.140 3.771 1.00 0.26 N ATOM 1459 CA VAL A 89 -4.825 9.536 3.467 1.00 0.25 C ATOM 1460 C VAL A 89 -5.449 8.891 4.710 1.00 0.25 C ATOM 1461 O VAL A 89 -6.665 8.729 4.769 1.00 0.27 O ATOM 1462 CB VAL A 89 -4.705 8.536 2.302 1.00 0.19 C ATOM 1463 CG1 VAL A 89 -4.430 9.311 1.009 1.00 0.22 C ATOM 1464 CG2 VAL A 89 -3.583 7.515 2.526 1.00 0.16 C ATOM 0 H VAL A 89 -2.729 9.633 3.391 1.00 0.26 H new ATOM 0 HA VAL A 89 -5.500 10.331 3.150 1.00 0.25 H new ATOM 0 HB VAL A 89 -5.643 7.985 2.236 1.00 0.19 H new ATOM 0 HG11 VAL A 89 -4.343 8.612 0.177 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -5.251 10.002 0.818 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -3.500 9.871 1.111 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -3.538 6.832 1.678 1.00 0.16 H new ATOM 0 HG22 VAL A 89 -2.631 8.036 2.623 1.00 0.16 H new ATOM 0 HG23 VAL A 89 -3.782 6.950 3.437 1.00 0.16 H new ATOM 1474 N ILE A 90 -4.625 8.498 5.689 1.00 0.27 N ATOM 1475 CA ILE A 90 -5.069 7.869 6.931 1.00 0.30 C ATOM 1476 C ILE A 90 -4.442 8.547 8.151 1.00 0.36 C ATOM 1477 O ILE A 90 -4.464 8.000 9.251 1.00 0.43 O ATOM 1478 CB ILE A 90 -4.779 6.358 6.887 1.00 0.28 C ATOM 1479 CG1 ILE A 90 -3.278 6.076 6.685 1.00 0.24 C ATOM 1480 CG2 ILE A 90 -5.630 5.738 5.770 1.00 0.24 C ATOM 1481 CD1 ILE A 90 -2.981 4.589 6.499 1.00 0.24 C ATOM 0 H ILE A 90 -3.613 8.612 5.635 1.00 0.27 H new ATOM 0 HA ILE A 90 -6.147 7.998 7.028 1.00 0.30 H new ATOM 0 HB ILE A 90 -5.045 5.904 7.842 1.00 0.28 H new ATOM 0 HG12 ILE A 90 -2.923 6.626 5.813 1.00 0.24 H new ATOM 0 HG13 ILE A 90 -2.723 6.449 7.546 1.00 0.24 H new ATOM 0 HG21 ILE A 90 -5.440 4.666 5.721 1.00 0.24 H new ATOM 0 HG22 ILE A 90 -6.686 5.910 5.979 1.00 0.24 H new ATOM 0 HG23 ILE A 90 -5.369 6.197 4.816 1.00 0.24 H new ATOM 0 HD11 ILE A 90 -1.909 4.447 6.361 1.00 0.24 H new ATOM 0 HD12 ILE A 90 -3.309 4.039 7.381 1.00 0.24 H new ATOM 0 HD13 ILE A 90 -3.512 4.219 5.622 1.00 0.24 H new ATOM 1493 N SER A 91 -3.879 9.742 7.973 1.00 0.37 N ATOM 1494 CA SER A 91 -3.355 10.513 9.086 1.00 0.44 C ATOM 1495 C SER A 91 -4.509 10.931 9.990 1.00 0.50 C ATOM 1496 O SER A 91 -5.613 11.160 9.506 1.00 0.53 O ATOM 1497 CB SER A 91 -2.622 11.724 8.514 1.00 0.47 C ATOM 1498 OG SER A 91 -2.362 12.691 9.515 1.00 0.64 O ATOM 0 H SER A 91 -3.777 10.193 7.064 1.00 0.37 H new ATOM 0 HA SER A 91 -2.658 9.927 9.685 1.00 0.44 H new ATOM 0 HB2 SER A 91 -1.683 11.403 8.063 1.00 0.47 H new ATOM 0 HB3 SER A 91 -3.220 12.172 7.720 1.00 0.47 H new ATOM 0 HG SER A 91 -1.891 13.453 9.119 1.00 0.64 H new ATOM 1504 N ALA A 92 -4.259 11.080 11.294 1.00 0.58 N ATOM 1505 CA ALA A 92 -5.274 11.522 12.240 1.00 0.64 C ATOM 1506 C ALA A 92 -5.832 12.887 11.838 1.00 0.69 C ATOM 1507 O ALA A 92 -7.043 13.080 11.816 1.00 0.65 O ATOM 1508 CB ALA A 92 -4.685 11.558 13.653 1.00 0.83 C ATOM 0 H ALA A 92 -3.349 10.897 11.717 1.00 0.58 H new ATOM 0 HA ALA A 92 -6.102 10.813 12.228 1.00 0.64 H new ATOM 0 HB1 ALA A 92 -5.448 11.889 14.357 1.00 0.83 H new ATOM 0 HB2 ALA A 92 -4.344 10.561 13.930 1.00 0.83 H new ATOM 0 HB3 ALA A 92 -3.843 12.250 13.679 1.00 0.83 H new ATOM 1514 N GLU A 93 -4.961 13.837 11.490 1.00 0.84 N ATOM 1515 CA GLU A 93 -5.402 15.170 11.083 1.00 0.97 C ATOM 1516 C GLU A 93 -6.201 15.124 9.782 1.00 0.90 C ATOM 1517 O GLU A 93 -7.007 16.009 9.512 1.00 1.08 O ATOM 1518 CB GLU A 93 -4.200 16.103 10.914 1.00 1.19 C ATOM 1519 CG GLU A 93 -3.560 16.442 12.268 1.00 1.34 C ATOM 1520 CD GLU A 93 -3.384 17.953 12.427 1.00 2.14 C ATOM 1521 OE1 GLU A 93 -2.592 18.517 11.641 1.00 2.76 O ATOM 1522 OE2 GLU A 93 -4.055 18.517 13.318 1.00 3.02 O ATOM 0 H GLU A 93 -3.949 13.707 11.482 1.00 0.84 H new ATOM 0 HA GLU A 93 -6.051 15.553 11.870 1.00 0.97 H new ATOM 0 HB2 GLU A 93 -3.460 15.632 10.268 1.00 1.19 H new ATOM 0 HB3 GLU A 93 -4.517 17.021 10.419 1.00 1.19 H new ATOM 0 HG2 GLU A 93 -4.183 16.058 13.075 1.00 1.34 H new ATOM 0 HG3 GLU A 93 -2.592 15.949 12.350 1.00 1.34 H new ATOM 1529 N ASN A 94 -5.990 14.093 8.962 1.00 0.73 N ATOM 1530 CA ASN A 94 -6.709 13.928 7.710 1.00 0.72 C ATOM 1531 C ASN A 94 -7.581 12.682 7.786 1.00 0.55 C ATOM 1532 O ASN A 94 -7.857 12.042 6.773 1.00 0.61 O ATOM 1533 CB ASN A 94 -5.718 13.859 6.550 1.00 0.76 C ATOM 1534 CG ASN A 94 -5.130 15.218 6.224 1.00 1.16 C ATOM 1535 OD1 ASN A 94 -5.637 15.911 5.346 1.00 2.01 O ATOM 1536 ND2 ASN A 94 -4.083 15.621 6.936 1.00 1.01 N ATOM 0 H ASN A 94 -5.315 13.352 9.152 1.00 0.73 H new ATOM 0 HA ASN A 94 -7.361 14.784 7.537 1.00 0.72 H new ATOM 0 HB2 ASN A 94 -4.914 13.167 6.801 1.00 0.76 H new ATOM 0 HB3 ASN A 94 -6.219 13.460 5.668 1.00 0.76 H new ATOM 0 HD21 ASN A 94 -3.670 16.537 6.762 1.00 1.01 H new ATOM 0 HD22 ASN A 94 -3.692 15.014 7.657 1.00 1.01 H new ATOM 1543 N TRP A 95 -8.073 12.352 8.980 1.00 0.48 N ATOM 1544 CA TRP A 95 -9.032 11.280 9.130 1.00 0.38 C ATOM 1545 C TRP A 95 -10.328 11.750 8.480 1.00 0.43 C ATOM 1546 O TRP A 95 -11.089 12.527 9.053 1.00 0.58 O ATOM 1547 CB TRP A 95 -9.198 10.943 10.613 1.00 0.34 C ATOM 1548 CG TRP A 95 -10.487 10.291 11.004 1.00 0.29 C ATOM 1549 CD1 TRP A 95 -11.026 9.165 10.480 1.00 0.27 C ATOM 1550 CD2 TRP A 95 -11.452 10.789 11.972 1.00 0.39 C ATOM 1551 NE1 TRP A 95 -12.258 8.934 11.063 1.00 0.31 N ATOM 1552 CE2 TRP A 95 -12.580 9.921 11.977 1.00 0.33 C ATOM 1553 CE3 TRP A 95 -11.486 11.906 12.835 1.00 0.61 C ATOM 1554 CZ2 TRP A 95 -13.695 10.163 12.793 1.00 0.40 C ATOM 1555 CZ3 TRP A 95 -12.591 12.146 13.669 1.00 0.69 C ATOM 1556 CH2 TRP A 95 -13.696 11.277 13.648 1.00 0.56 C ATOM 0 H TRP A 95 -7.818 12.817 9.851 1.00 0.48 H new ATOM 0 HA TRP A 95 -8.704 10.361 8.643 1.00 0.38 H new ATOM 0 HB2 TRP A 95 -8.379 10.287 10.909 1.00 0.34 H new ATOM 0 HB3 TRP A 95 -9.092 11.864 11.187 1.00 0.34 H new ATOM 0 HD1 TRP A 95 -10.566 8.545 9.725 1.00 0.27 H new ATOM 0 HE1 TRP A 95 -12.855 8.136 10.846 1.00 0.31 H new ATOM 0 HE3 TRP A 95 -10.648 12.588 12.854 1.00 0.61 H new ATOM 0 HZ2 TRP A 95 -14.546 9.498 12.764 1.00 0.40 H new ATOM 0 HZ3 TRP A 95 -12.592 13.001 14.329 1.00 0.69 H new ATOM 0 HH2 TRP A 95 -14.545 11.466 14.289 1.00 0.56 H new ATOM 1567 N LYS A 96 -10.570 11.306 7.248 1.00 0.40 N ATOM 1568 CA LYS A 96 -11.807 11.592 6.545 1.00 0.46 C ATOM 1569 C LYS A 96 -12.612 10.303 6.581 1.00 0.38 C ATOM 1570 O LYS A 96 -12.237 9.358 5.895 1.00 0.40 O ATOM 1571 CB LYS A 96 -11.517 12.029 5.099 1.00 0.64 C ATOM 1572 CG LYS A 96 -11.327 13.546 4.954 1.00 0.69 C ATOM 1573 CD LYS A 96 -10.135 14.083 5.754 1.00 0.94 C ATOM 1574 CE LYS A 96 -9.952 15.593 5.575 1.00 1.34 C ATOM 1575 NZ LYS A 96 -9.191 15.929 4.351 1.00 2.33 N ATOM 0 H LYS A 96 -9.911 10.739 6.714 1.00 0.40 H new ATOM 0 HA LYS A 96 -12.357 12.410 7.010 1.00 0.46 H new ATOM 0 HB2 LYS A 96 -10.620 11.521 4.745 1.00 0.64 H new ATOM 0 HB3 LYS A 96 -12.338 11.709 4.458 1.00 0.64 H new ATOM 0 HG2 LYS A 96 -11.189 13.790 3.901 1.00 0.69 H new ATOM 0 HG3 LYS A 96 -12.235 14.053 5.282 1.00 0.69 H new ATOM 0 HD2 LYS A 96 -10.278 13.859 6.811 1.00 0.94 H new ATOM 0 HD3 LYS A 96 -9.227 13.569 5.439 1.00 0.94 H new ATOM 0 HE2 LYS A 96 -10.930 16.072 5.534 1.00 1.34 H new ATOM 0 HE3 LYS A 96 -9.434 15.999 6.444 1.00 1.34 H new ATOM 0 HZ1 LYS A 96 -9.094 16.962 4.275 1.00 2.33 H new ATOM 0 HZ2 LYS A 96 -8.247 15.495 4.399 1.00 2.33 H new ATOM 0 HZ3 LYS A 96 -9.696 15.566 3.518 1.00 2.33 H new ATOM 1589 N PRO A 97 -13.731 10.239 7.310 1.00 0.37 N ATOM 1590 CA PRO A 97 -14.570 9.051 7.328 1.00 0.44 C ATOM 1591 C PRO A 97 -15.259 8.825 5.978 1.00 0.58 C ATOM 1592 O PRO A 97 -15.759 7.739 5.709 1.00 0.78 O ATOM 1593 CB PRO A 97 -15.551 9.284 8.477 1.00 0.50 C ATOM 1594 CG PRO A 97 -15.676 10.803 8.545 1.00 0.47 C ATOM 1595 CD PRO A 97 -14.272 11.276 8.172 1.00 0.37 C ATOM 0 HA PRO A 97 -13.998 8.137 7.486 1.00 0.44 H new ATOM 0 HB2 PRO A 97 -16.514 8.811 8.283 1.00 0.50 H new ATOM 0 HB3 PRO A 97 -15.176 8.871 9.413 1.00 0.50 H new ATOM 0 HG2 PRO A 97 -16.427 11.178 7.850 1.00 0.47 H new ATOM 0 HG3 PRO A 97 -15.965 11.141 9.540 1.00 0.47 H new ATOM 0 HD2 PRO A 97 -14.305 12.237 7.658 1.00 0.37 H new ATOM 0 HD3 PRO A 97 -13.654 11.411 9.060 1.00 0.37 H new ATOM 1603 N ALA A 98 -15.269 9.836 5.106 1.00 0.61 N ATOM 1604 CA ALA A 98 -15.763 9.712 3.745 1.00 0.77 C ATOM 1605 C ALA A 98 -14.735 9.091 2.794 1.00 0.63 C ATOM 1606 O ALA A 98 -15.073 8.803 1.648 1.00 0.63 O ATOM 1607 CB ALA A 98 -16.127 11.109 3.247 1.00 0.99 C ATOM 0 H ALA A 98 -14.930 10.771 5.334 1.00 0.61 H new ATOM 0 HA ALA A 98 -16.627 9.047 3.757 1.00 0.77 H new ATOM 0 HB1 ALA A 98 -16.501 11.045 2.225 1.00 0.99 H new ATOM 0 HB2 ALA A 98 -16.897 11.535 3.890 1.00 0.99 H new ATOM 0 HB3 ALA A 98 -15.242 11.745 3.270 1.00 0.99 H new ATOM 1613 N THR A 99 -13.479 8.927 3.219 1.00 0.59 N ATOM 1614 CA THR A 99 -12.473 8.305 2.371 1.00 0.56 C ATOM 1615 C THR A 99 -12.823 6.836 2.156 1.00 0.56 C ATOM 1616 O THR A 99 -13.732 6.305 2.798 1.00 0.71 O ATOM 1617 CB THR A 99 -11.064 8.492 2.955 1.00 0.56 C ATOM 1618 OG1 THR A 99 -10.153 8.413 1.885 1.00 0.67 O ATOM 1619 CG2 THR A 99 -10.645 7.450 3.999 1.00 0.53 C ATOM 0 H THR A 99 -13.142 9.215 4.138 1.00 0.59 H new ATOM 0 HA THR A 99 -12.469 8.795 1.398 1.00 0.56 H new ATOM 0 HB THR A 99 -11.068 9.453 3.470 1.00 0.56 H new ATOM 0 HG1 THR A 99 -9.241 8.530 2.223 1.00 0.67 H new ATOM 0 HG21 THR A 99 -9.636 7.670 4.348 1.00 0.53 H new ATOM 0 HG22 THR A 99 -11.336 7.481 4.842 1.00 0.53 H new ATOM 0 HG23 THR A 99 -10.665 6.457 3.550 1.00 0.53 H new ATOM 1627 N LYS A 100 -12.088 6.153 1.281 1.00 0.46 N ATOM 1628 CA LYS A 100 -12.247 4.719 1.130 1.00 0.40 C ATOM 1629 C LYS A 100 -10.909 4.079 0.815 1.00 0.26 C ATOM 1630 O LYS A 100 -9.901 4.766 0.649 1.00 0.25 O ATOM 1631 CB LYS A 100 -13.322 4.388 0.084 1.00 0.49 C ATOM 1632 CG LYS A 100 -12.954 4.646 -1.386 1.00 2.58 C ATOM 1633 CD LYS A 100 -13.619 5.870 -2.028 1.00 2.95 C ATOM 1634 CE LYS A 100 -13.877 5.545 -3.507 1.00 4.44 C ATOM 1635 NZ LYS A 100 -13.798 6.733 -4.381 1.00 4.94 N ATOM 0 H LYS A 100 -11.383 6.570 0.673 1.00 0.46 H new ATOM 0 HA LYS A 100 -12.598 4.298 2.072 1.00 0.40 H new ATOM 0 HB2 LYS A 100 -13.587 3.336 0.189 1.00 0.49 H new ATOM 0 HB3 LYS A 100 -14.215 4.967 0.318 1.00 0.49 H new ATOM 0 HG2 LYS A 100 -11.873 4.763 -1.457 1.00 2.58 H new ATOM 0 HG3 LYS A 100 -13.218 3.763 -1.969 1.00 2.58 H new ATOM 0 HD2 LYS A 100 -14.554 6.106 -1.520 1.00 2.95 H new ATOM 0 HD3 LYS A 100 -12.976 6.746 -1.936 1.00 2.95 H new ATOM 0 HE2 LYS A 100 -13.151 4.805 -3.843 1.00 4.44 H new ATOM 0 HE3 LYS A 100 -14.863 5.092 -3.607 1.00 4.44 H new ATOM 0 HZ1 LYS A 100 -14.296 6.541 -5.274 1.00 4.94 H new ATOM 0 HZ2 LYS A 100 -14.241 7.544 -3.905 1.00 4.94 H new ATOM 0 HZ3 LYS A 100 -12.801 6.951 -4.581 1.00 4.94 H new ATOM 1649 N THR A 101 -10.905 2.758 0.695 1.00 0.22 N ATOM 1650 CA THR A 101 -9.725 2.000 0.336 1.00 0.19 C ATOM 1651 C THR A 101 -9.128 2.453 -0.981 1.00 0.21 C ATOM 1652 O THR A 101 -7.926 2.344 -1.138 1.00 0.35 O ATOM 1653 CB THR A 101 -10.083 0.536 0.205 1.00 0.26 C ATOM 1654 OG1 THR A 101 -11.352 0.489 -0.405 1.00 0.56 O ATOM 1655 CG2 THR A 101 -10.109 -0.131 1.571 1.00 0.34 C ATOM 0 H THR A 101 -11.732 2.181 0.847 1.00 0.22 H new ATOM 0 HA THR A 101 -8.991 2.162 1.126 1.00 0.19 H new ATOM 0 HB THR A 101 -9.346 -0.000 -0.392 1.00 0.26 H new ATOM 0 HG1 THR A 101 -11.713 -0.420 -0.340 1.00 0.56 H new ATOM 0 HG21 THR A 101 -10.368 -1.184 1.457 1.00 0.34 H new ATOM 0 HG22 THR A 101 -9.126 -0.048 2.035 1.00 0.34 H new ATOM 0 HG23 THR A 101 -10.851 0.359 2.201 1.00 0.34 H new ATOM 1663 N ASP A 102 -9.922 2.937 -1.934 1.00 0.21 N ATOM 1664 CA ASP A 102 -9.387 3.480 -3.182 1.00 0.23 C ATOM 1665 C ASP A 102 -8.357 4.570 -2.886 1.00 0.16 C ATOM 1666 O ASP A 102 -7.244 4.525 -3.404 1.00 0.22 O ATOM 1667 CB ASP A 102 -10.534 3.903 -4.111 1.00 0.38 C ATOM 1668 CG ASP A 102 -10.437 5.333 -4.637 1.00 1.24 C ATOM 1669 OD1 ASP A 102 -11.147 6.191 -4.059 1.00 1.62 O ATOM 1670 OD2 ASP A 102 -9.728 5.528 -5.642 1.00 2.67 O ATOM 0 H ASP A 102 -10.939 2.964 -1.866 1.00 0.21 H new ATOM 0 HA ASP A 102 -8.841 2.713 -3.731 1.00 0.23 H new ATOM 0 HB2 ASP A 102 -10.566 3.220 -4.960 1.00 0.38 H new ATOM 0 HB3 ASP A 102 -11.477 3.791 -3.576 1.00 0.38 H new ATOM 1675 N GLN A 103 -8.680 5.483 -1.972 1.00 0.15 N ATOM 1676 CA GLN A 103 -7.760 6.538 -1.577 1.00 0.15 C ATOM 1677 C GLN A 103 -6.541 5.982 -0.853 1.00 0.15 C ATOM 1678 O GLN A 103 -5.435 6.506 -0.981 1.00 0.20 O ATOM 1679 CB GLN A 103 -8.485 7.587 -0.741 1.00 0.19 C ATOM 1680 CG GLN A 103 -9.720 8.074 -1.511 1.00 0.21 C ATOM 1681 CD GLN A 103 -10.218 9.436 -1.026 1.00 0.29 C ATOM 1682 OE1 GLN A 103 -9.448 10.304 -0.629 1.00 1.10 O ATOM 1683 NE2 GLN A 103 -11.526 9.660 -1.049 1.00 1.38 N ATOM 0 H GLN A 103 -9.579 5.510 -1.491 1.00 0.15 H new ATOM 0 HA GLN A 103 -7.390 7.022 -2.481 1.00 0.15 H new ATOM 0 HB2 GLN A 103 -8.782 7.164 0.219 1.00 0.19 H new ATOM 0 HB3 GLN A 103 -7.820 8.424 -0.528 1.00 0.19 H new ATOM 0 HG2 GLN A 103 -9.480 8.136 -2.572 1.00 0.21 H new ATOM 0 HG3 GLN A 103 -10.520 7.341 -1.407 1.00 0.21 H new ATOM 0 HE21 GLN A 103 -12.162 8.935 -1.380 1.00 1.38 H new ATOM 0 HE22 GLN A 103 -11.895 10.558 -0.736 1.00 1.38 H new ATOM 1692 N VAL A 104 -6.719 4.916 -0.080 1.00 0.14 N ATOM 1693 CA VAL A 104 -5.608 4.329 0.644 1.00 0.15 C ATOM 1694 C VAL A 104 -4.621 3.688 -0.337 1.00 0.18 C ATOM 1695 O VAL A 104 -3.438 4.021 -0.348 1.00 0.19 O ATOM 1696 CB VAL A 104 -6.178 3.366 1.692 1.00 0.16 C ATOM 1697 CG1 VAL A 104 -5.103 2.442 2.235 1.00 0.18 C ATOM 1698 CG2 VAL A 104 -6.758 4.179 2.847 1.00 0.28 C ATOM 0 H VAL A 104 -7.615 4.448 0.058 1.00 0.14 H new ATOM 0 HA VAL A 104 -5.029 5.082 1.179 1.00 0.15 H new ATOM 0 HB VAL A 104 -6.949 2.758 1.218 1.00 0.16 H new ATOM 0 HG11 VAL A 104 -5.539 1.772 2.976 1.00 0.18 H new ATOM 0 HG12 VAL A 104 -4.681 1.855 1.419 1.00 0.18 H new ATOM 0 HG13 VAL A 104 -4.315 3.034 2.701 1.00 0.18 H new ATOM 0 HG21 VAL A 104 -7.166 3.503 3.599 1.00 0.28 H new ATOM 0 HG22 VAL A 104 -5.972 4.787 3.295 1.00 0.28 H new ATOM 0 HG23 VAL A 104 -7.550 4.828 2.473 1.00 0.28 H new ATOM 1708 N ILE A 105 -5.110 2.773 -1.166 1.00 0.19 N ATOM 1709 CA ILE A 105 -4.352 1.982 -2.116 1.00 0.19 C ATOM 1710 C ILE A 105 -3.636 2.911 -3.077 1.00 0.20 C ATOM 1711 O ILE A 105 -2.428 2.771 -3.265 1.00 0.20 O ATOM 1712 CB ILE A 105 -5.298 1.006 -2.846 1.00 0.20 C ATOM 1713 CG1 ILE A 105 -5.613 -0.196 -1.943 1.00 0.19 C ATOM 1714 CG2 ILE A 105 -4.770 0.507 -4.200 1.00 0.22 C ATOM 1715 CD1 ILE A 105 -4.369 -0.973 -1.488 1.00 0.19 C ATOM 0 H ILE A 105 -6.106 2.554 -1.191 1.00 0.19 H new ATOM 0 HA ILE A 105 -3.598 1.385 -1.603 1.00 0.19 H new ATOM 0 HB ILE A 105 -6.201 1.576 -3.062 1.00 0.20 H new ATOM 0 HG12 ILE A 105 -6.153 0.154 -1.063 1.00 0.19 H new ATOM 0 HG13 ILE A 105 -6.279 -0.875 -2.476 1.00 0.19 H new ATOM 0 HG21 ILE A 105 -5.496 -0.174 -4.645 1.00 0.22 H new ATOM 0 HG22 ILE A 105 -4.614 1.356 -4.865 1.00 0.22 H new ATOM 0 HG23 ILE A 105 -3.825 -0.016 -4.052 1.00 0.22 H new ATOM 0 HD11 ILE A 105 -4.672 -1.806 -0.854 1.00 0.19 H new ATOM 0 HD12 ILE A 105 -3.839 -1.355 -2.361 1.00 0.19 H new ATOM 0 HD13 ILE A 105 -3.711 -0.310 -0.926 1.00 0.19 H new ATOM 1727 N GLN A 106 -4.366 3.858 -3.673 1.00 0.20 N ATOM 1728 CA GLN A 106 -3.749 4.810 -4.583 1.00 0.21 C ATOM 1729 C GLN A 106 -2.603 5.526 -3.879 1.00 0.20 C ATOM 1730 O GLN A 106 -1.621 5.839 -4.532 1.00 0.22 O ATOM 1731 CB GLN A 106 -4.752 5.798 -5.208 1.00 0.31 C ATOM 1732 CG GLN A 106 -5.101 6.975 -4.287 1.00 0.74 C ATOM 1733 CD GLN A 106 -6.019 8.001 -4.941 1.00 1.70 C ATOM 1734 OE1 GLN A 106 -7.158 8.193 -4.540 1.00 3.17 O ATOM 1735 NE2 GLN A 106 -5.519 8.728 -5.933 1.00 2.79 N ATOM 0 H GLN A 106 -5.370 3.981 -3.541 1.00 0.20 H new ATOM 0 HA GLN A 106 -3.350 4.246 -5.426 1.00 0.21 H new ATOM 0 HB2 GLN A 106 -4.338 6.185 -6.139 1.00 0.31 H new ATOM 0 HB3 GLN A 106 -5.666 5.263 -5.464 1.00 0.31 H new ATOM 0 HG2 GLN A 106 -5.579 6.592 -3.385 1.00 0.74 H new ATOM 0 HG3 GLN A 106 -4.181 7.468 -3.975 1.00 0.74 H new ATOM 0 HE21 GLN A 106 -4.568 8.559 -6.260 1.00 2.79 H new ATOM 0 HE22 GLN A 106 -6.086 9.455 -6.369 1.00 2.79 H new ATOM 1744 N SER A 107 -2.705 5.784 -2.571 1.00 0.19 N ATOM 1745 CA SER A 107 -1.619 6.367 -1.809 1.00 0.19 C ATOM 1746 C SER A 107 -0.415 5.437 -1.807 1.00 0.18 C ATOM 1747 O SER A 107 0.674 5.892 -2.130 1.00 0.22 O ATOM 1748 CB SER A 107 -2.040 6.680 -0.374 1.00 0.20 C ATOM 1749 OG SER A 107 -1.351 7.824 0.099 1.00 0.41 O ATOM 0 H SER A 107 -3.543 5.592 -2.022 1.00 0.19 H new ATOM 0 HA SER A 107 -1.348 7.306 -2.291 1.00 0.19 H new ATOM 0 HB2 SER A 107 -3.116 6.851 -0.332 1.00 0.20 H new ATOM 0 HB3 SER A 107 -1.827 5.826 0.270 1.00 0.20 H new ATOM 0 HG SER A 107 -1.936 8.608 0.035 1.00 0.41 H new ATOM 1755 N LEU A 108 -0.555 4.160 -1.423 1.00 0.16 N ATOM 1756 CA LEU A 108 0.628 3.308 -1.377 1.00 0.16 C ATOM 1757 C LEU A 108 1.289 3.271 -2.732 1.00 0.18 C ATOM 1758 O LEU A 108 2.496 3.413 -2.806 1.00 0.19 O ATOM 1759 CB LEU A 108 0.349 1.853 -1.006 1.00 0.16 C ATOM 1760 CG LEU A 108 -0.040 1.577 0.441 1.00 0.16 C ATOM 1761 CD1 LEU A 108 0.497 2.612 1.425 1.00 0.14 C ATOM 1762 CD2 LEU A 108 -1.546 1.411 0.577 1.00 0.22 C ATOM 0 H LEU A 108 -1.433 3.716 -1.153 1.00 0.16 H new ATOM 0 HA LEU A 108 1.254 3.751 -0.603 1.00 0.16 H new ATOM 0 HB2 LEU A 108 -0.451 1.485 -1.649 1.00 0.16 H new ATOM 0 HB3 LEU A 108 1.238 1.267 -1.237 1.00 0.16 H new ATOM 0 HG LEU A 108 0.440 0.636 0.711 1.00 0.16 H new ATOM 0 HD11 LEU A 108 0.181 2.352 2.435 1.00 0.14 H new ATOM 0 HD12 LEU A 108 1.586 2.628 1.378 1.00 0.14 H new ATOM 0 HD13 LEU A 108 0.108 3.597 1.166 1.00 0.14 H new ATOM 0 HD21 LEU A 108 -1.798 1.215 1.619 1.00 0.22 H new ATOM 0 HD22 LEU A 108 -2.044 2.324 0.249 1.00 0.22 H new ATOM 0 HD23 LEU A 108 -1.877 0.575 -0.040 1.00 0.22 H new ATOM 1774 N ILE A 109 0.535 3.054 -3.801 1.00 0.19 N ATOM 1775 CA ILE A 109 1.126 3.005 -5.124 1.00 0.22 C ATOM 1776 C ILE A 109 1.816 4.338 -5.394 1.00 0.24 C ATOM 1777 O ILE A 109 2.974 4.357 -5.787 1.00 0.32 O ATOM 1778 CB ILE A 109 0.041 2.657 -6.146 1.00 0.24 C ATOM 1779 CG1 ILE A 109 -0.416 1.212 -5.881 1.00 0.22 C ATOM 1780 CG2 ILE A 109 0.547 2.766 -7.590 1.00 0.30 C ATOM 1781 CD1 ILE A 109 -1.892 1.044 -6.236 1.00 0.21 C ATOM 0 H ILE A 109 -0.475 2.911 -3.776 1.00 0.19 H new ATOM 0 HA ILE A 109 1.885 2.227 -5.202 1.00 0.22 H new ATOM 0 HB ILE A 109 -0.779 3.366 -6.034 1.00 0.24 H new ATOM 0 HG12 ILE A 109 0.187 0.520 -6.469 1.00 0.22 H new ATOM 0 HG13 ILE A 109 -0.257 0.961 -4.832 1.00 0.22 H new ATOM 0 HG21 ILE A 109 -0.258 2.510 -8.278 1.00 0.30 H new ATOM 0 HG22 ILE A 109 0.878 3.786 -7.783 1.00 0.30 H new ATOM 0 HG23 ILE A 109 1.381 2.080 -7.736 1.00 0.30 H new ATOM 0 HD11 ILE A 109 -2.198 0.016 -6.042 1.00 0.21 H new ATOM 0 HD12 ILE A 109 -2.492 1.722 -5.629 1.00 0.21 H new ATOM 0 HD13 ILE A 109 -2.041 1.274 -7.291 1.00 0.21 H new ATOM 1793 N ALA A 110 1.133 5.449 -5.147 1.00 0.21 N ATOM 1794 CA ALA A 110 1.619 6.792 -5.411 1.00 0.21 C ATOM 1795 C ALA A 110 2.951 7.063 -4.717 1.00 0.20 C ATOM 1796 O ALA A 110 3.794 7.735 -5.288 1.00 0.22 O ATOM 1797 CB ALA A 110 0.550 7.809 -4.994 1.00 0.21 C ATOM 0 H ALA A 110 0.196 5.436 -4.745 1.00 0.21 H new ATOM 0 HA ALA A 110 1.806 6.891 -6.480 1.00 0.21 H new ATOM 0 HB1 ALA A 110 0.912 8.818 -5.191 1.00 0.21 H new ATOM 0 HB2 ALA A 110 -0.362 7.633 -5.564 1.00 0.21 H new ATOM 0 HB3 ALA A 110 0.339 7.700 -3.930 1.00 0.21 H new ATOM 1803 N LEU A 111 3.155 6.552 -3.506 1.00 0.19 N ATOM 1804 CA LEU A 111 4.342 6.790 -2.697 1.00 0.20 C ATOM 1805 C LEU A 111 5.448 5.785 -3.022 1.00 0.24 C ATOM 1806 O LEU A 111 6.597 6.149 -3.239 1.00 0.43 O ATOM 1807 CB LEU A 111 3.938 6.708 -1.216 1.00 0.20 C ATOM 1808 CG LEU A 111 3.419 8.022 -0.597 1.00 0.23 C ATOM 1809 CD1 LEU A 111 3.987 9.299 -1.206 1.00 0.36 C ATOM 1810 CD2 LEU A 111 1.896 8.119 -0.644 1.00 0.30 C ATOM 0 H LEU A 111 2.477 5.943 -3.049 1.00 0.19 H new ATOM 0 HA LEU A 111 4.744 7.779 -2.918 1.00 0.20 H new ATOM 0 HB2 LEU A 111 3.166 5.946 -1.109 1.00 0.20 H new ATOM 0 HB3 LEU A 111 4.800 6.371 -0.640 1.00 0.20 H new ATOM 0 HG LEU A 111 3.776 7.961 0.431 1.00 0.23 H new ATOM 0 HD11 LEU A 111 3.559 10.165 -0.701 1.00 0.36 H new ATOM 0 HD12 LEU A 111 5.070 9.308 -1.087 1.00 0.36 H new ATOM 0 HD13 LEU A 111 3.738 9.338 -2.267 1.00 0.36 H new ATOM 0 HD21 LEU A 111 1.577 9.061 -0.197 1.00 0.30 H new ATOM 0 HD22 LEU A 111 1.561 8.077 -1.680 1.00 0.30 H new ATOM 0 HD23 LEU A 111 1.461 7.288 -0.088 1.00 0.30 H new ATOM 1822 N VAL A 112 5.111 4.501 -3.072 1.00 0.33 N ATOM 1823 CA VAL A 112 5.993 3.424 -3.499 1.00 0.30 C ATOM 1824 C VAL A 112 6.552 3.739 -4.893 1.00 0.32 C ATOM 1825 O VAL A 112 7.674 3.357 -5.221 1.00 0.32 O ATOM 1826 CB VAL A 112 5.217 2.089 -3.455 1.00 0.28 C ATOM 1827 CG1 VAL A 112 6.018 0.896 -3.976 1.00 0.33 C ATOM 1828 CG2 VAL A 112 4.829 1.714 -2.019 1.00 0.24 C ATOM 0 H VAL A 112 4.183 4.171 -2.807 1.00 0.33 H new ATOM 0 HA VAL A 112 6.846 3.331 -2.826 1.00 0.30 H new ATOM 0 HB VAL A 112 4.350 2.269 -4.090 1.00 0.28 H new ATOM 0 HG11 VAL A 112 5.409 -0.006 -3.914 1.00 0.33 H new ATOM 0 HG12 VAL A 112 6.301 1.073 -5.014 1.00 0.33 H new ATOM 0 HG13 VAL A 112 6.916 0.769 -3.372 1.00 0.33 H new ATOM 0 HG21 VAL A 112 4.284 0.770 -2.024 1.00 0.24 H new ATOM 0 HG22 VAL A 112 5.730 1.610 -1.414 1.00 0.24 H new ATOM 0 HG23 VAL A 112 4.197 2.495 -1.597 1.00 0.24 H new ATOM 1838 N ASN A 113 5.783 4.428 -5.733 1.00 0.37 N ATOM 1839 CA ASN A 113 6.237 4.813 -7.057 1.00 0.37 C ATOM 1840 C ASN A 113 6.968 6.144 -6.998 1.00 0.35 C ATOM 1841 O ASN A 113 8.062 6.255 -7.545 1.00 0.39 O ATOM 1842 CB ASN A 113 5.071 4.863 -8.048 1.00 0.39 C ATOM 1843 CG ASN A 113 4.699 3.457 -8.494 1.00 1.16 C ATOM 1844 OD1 ASN A 113 4.942 3.086 -9.632 1.00 1.78 O ATOM 1845 ND2 ASN A 113 4.177 2.621 -7.611 1.00 2.21 N ATOM 0 H ASN A 113 4.834 4.731 -5.512 1.00 0.37 H new ATOM 0 HA ASN A 113 6.935 4.056 -7.414 1.00 0.37 H new ATOM 0 HB2 ASN A 113 4.210 5.345 -7.584 1.00 0.39 H new ATOM 0 HB3 ASN A 113 5.346 5.466 -8.913 1.00 0.39 H new ATOM 0 HD21 ASN A 113 3.974 1.658 -7.879 1.00 2.21 H new ATOM 0 HD22 ASN A 113 3.977 2.940 -6.663 1.00 2.21 H new ATOM 1852 N ASP A 114 6.371 7.142 -6.347 1.00 0.32 N ATOM 1853 CA ASP A 114 6.907 8.494 -6.283 1.00 0.36 C ATOM 1854 C ASP A 114 7.034 8.910 -4.814 1.00 0.33 C ATOM 1855 O ASP A 114 6.139 9.533 -4.242 1.00 0.32 O ATOM 1856 CB ASP A 114 6.024 9.449 -7.097 1.00 0.41 C ATOM 1857 CG ASP A 114 6.714 10.795 -7.303 1.00 0.71 C ATOM 1858 OD1 ASP A 114 7.965 10.790 -7.366 1.00 0.85 O ATOM 1859 OD2 ASP A 114 5.987 11.802 -7.449 1.00 1.30 O ATOM 0 H ASP A 114 5.491 7.029 -5.844 1.00 0.32 H new ATOM 0 HA ASP A 114 7.902 8.534 -6.727 1.00 0.36 H new ATOM 0 HB2 ASP A 114 5.796 9.002 -8.065 1.00 0.41 H new ATOM 0 HB3 ASP A 114 5.075 9.599 -6.583 1.00 0.41 H new ATOM 1864 N PRO A 115 8.119 8.499 -4.147 1.00 0.34 N ATOM 1865 CA PRO A 115 8.236 8.647 -2.708 1.00 0.29 C ATOM 1866 C PRO A 115 8.496 10.103 -2.343 1.00 0.29 C ATOM 1867 O PRO A 115 9.294 10.775 -2.987 1.00 0.47 O ATOM 1868 CB PRO A 115 9.403 7.742 -2.306 1.00 0.35 C ATOM 1869 CG PRO A 115 10.258 7.672 -3.571 1.00 0.43 C ATOM 1870 CD PRO A 115 9.213 7.713 -4.684 1.00 0.40 C ATOM 0 HA PRO A 115 7.323 8.366 -2.184 1.00 0.29 H new ATOM 0 HB2 PRO A 115 9.962 8.157 -1.467 1.00 0.35 H new ATOM 0 HB3 PRO A 115 9.057 6.754 -2.001 1.00 0.35 H new ATOM 0 HG2 PRO A 115 10.953 8.509 -3.637 1.00 0.43 H new ATOM 0 HG3 PRO A 115 10.853 6.760 -3.608 1.00 0.43 H new ATOM 0 HD2 PRO A 115 9.618 8.167 -5.588 1.00 0.40 H new ATOM 0 HD3 PRO A 115 8.883 6.709 -4.952 1.00 0.40 H new ATOM 1878 N GLN A 116 7.870 10.573 -1.262 1.00 0.23 N ATOM 1879 CA GLN A 116 8.072 11.922 -0.755 1.00 0.29 C ATOM 1880 C GLN A 116 9.226 11.920 0.259 1.00 0.27 C ATOM 1881 O GLN A 116 9.042 11.429 1.369 1.00 0.49 O ATOM 1882 CB GLN A 116 6.741 12.441 -0.160 1.00 0.41 C ATOM 1883 CG GLN A 116 6.237 11.723 1.111 1.00 2.23 C ATOM 1884 CD GLN A 116 4.755 11.971 1.392 1.00 2.28 C ATOM 1885 OE1 GLN A 116 4.183 12.971 0.985 1.00 2.26 O ATOM 1886 NE2 GLN A 116 4.093 11.063 2.100 1.00 2.83 N ATOM 0 H GLN A 116 7.207 10.023 -0.715 1.00 0.23 H new ATOM 0 HA GLN A 116 8.357 12.604 -1.556 1.00 0.29 H new ATOM 0 HB2 GLN A 116 6.858 13.500 0.068 1.00 0.41 H new ATOM 0 HB3 GLN A 116 5.970 12.363 -0.926 1.00 0.41 H new ATOM 0 HG2 GLN A 116 6.407 10.651 1.007 1.00 2.23 H new ATOM 0 HG3 GLN A 116 6.824 12.057 1.967 1.00 2.23 H new ATOM 0 HE21 GLN A 116 4.574 10.230 2.438 1.00 2.83 H new ATOM 0 HE22 GLN A 116 3.103 11.199 2.306 1.00 2.83 H new ATOM 1895 N PRO A 117 10.421 12.448 -0.057 1.00 0.28 N ATOM 1896 CA PRO A 117 11.485 12.596 0.928 1.00 0.31 C ATOM 1897 C PRO A 117 11.299 13.839 1.807 1.00 0.44 C ATOM 1898 O PRO A 117 12.150 14.112 2.646 1.00 0.74 O ATOM 1899 CB PRO A 117 12.782 12.654 0.117 1.00 0.40 C ATOM 1900 CG PRO A 117 12.321 13.370 -1.155 1.00 0.54 C ATOM 1901 CD PRO A 117 10.918 12.801 -1.375 1.00 0.42 C ATOM 0 HA PRO A 117 11.489 11.764 1.632 1.00 0.31 H new ATOM 0 HB2 PRO A 117 13.565 13.206 0.636 1.00 0.40 H new ATOM 0 HB3 PRO A 117 13.178 11.661 -0.093 1.00 0.40 H new ATOM 0 HG2 PRO A 117 12.303 14.452 -1.026 1.00 0.54 H new ATOM 0 HG3 PRO A 117 12.979 13.161 -1.998 1.00 0.54 H new ATOM 0 HD2 PRO A 117 10.269 13.535 -1.853 1.00 0.42 H new ATOM 0 HD3 PRO A 117 10.948 11.929 -2.028 1.00 0.42 H new ATOM 1909 N GLU A 118 10.199 14.582 1.643 1.00 0.35 N ATOM 1910 CA GLU A 118 9.914 15.798 2.396 1.00 0.40 C ATOM 1911 C GLU A 118 9.820 15.485 3.889 1.00 0.37 C ATOM 1912 O GLU A 118 10.544 16.061 4.697 1.00 0.54 O ATOM 1913 CB GLU A 118 8.620 16.434 1.849 1.00 0.47 C ATOM 1914 CG GLU A 118 8.865 17.890 1.451 1.00 1.93 C ATOM 1915 CD GLU A 118 7.692 18.456 0.650 1.00 2.26 C ATOM 1916 OE1 GLU A 118 6.626 18.675 1.262 1.00 2.62 O ATOM 1917 OE2 GLU A 118 7.880 18.654 -0.571 1.00 3.38 O ATOM 0 H GLU A 118 9.471 14.346 0.969 1.00 0.35 H new ATOM 0 HA GLU A 118 10.724 16.517 2.274 1.00 0.40 H new ATOM 0 HB2 GLU A 118 8.267 15.869 0.986 1.00 0.47 H new ATOM 0 HB3 GLU A 118 7.836 16.384 2.605 1.00 0.47 H new ATOM 0 HG2 GLU A 118 9.020 18.492 2.346 1.00 1.93 H new ATOM 0 HG3 GLU A 118 9.778 17.958 0.859 1.00 1.93 H new ATOM 1924 N HIS A 119 8.926 14.565 4.258 1.00 0.26 N ATOM 1925 CA HIS A 119 8.801 14.087 5.629 1.00 0.24 C ATOM 1926 C HIS A 119 8.052 12.748 5.645 1.00 0.23 C ATOM 1927 O HIS A 119 6.880 12.681 6.018 1.00 0.29 O ATOM 1928 CB HIS A 119 8.119 15.160 6.491 1.00 0.35 C ATOM 1929 CG HIS A 119 6.930 15.818 5.837 1.00 0.82 C ATOM 1930 ND1 HIS A 119 5.799 15.179 5.386 1.00 2.04 N ATOM 1931 CD2 HIS A 119 6.815 17.145 5.522 1.00 1.51 C ATOM 1932 CE1 HIS A 119 5.020 16.105 4.801 1.00 2.31 C ATOM 1933 NE2 HIS A 119 5.588 17.318 4.878 1.00 1.85 N ATOM 0 H HIS A 119 8.268 14.132 3.610 1.00 0.26 H new ATOM 0 HA HIS A 119 9.787 13.908 6.059 1.00 0.24 H new ATOM 0 HB2 HIS A 119 7.798 14.706 7.429 1.00 0.35 H new ATOM 0 HB3 HIS A 119 8.851 15.927 6.742 1.00 0.35 H new ATOM 0 HD1 HIS A 119 5.590 14.185 5.478 1.00 2.04 H new ATOM 0 HD2 HIS A 119 7.540 17.917 5.733 1.00 1.51 H new ATOM 0 HE1 HIS A 119 4.068 15.901 4.333 1.00 2.31 H new ATOM 1941 N PRO A 120 8.701 11.672 5.191 1.00 0.23 N ATOM 1942 CA PRO A 120 8.139 10.333 5.201 1.00 0.22 C ATOM 1943 C PRO A 120 8.370 9.652 6.557 1.00 0.25 C ATOM 1944 O PRO A 120 8.886 10.264 7.488 1.00 0.33 O ATOM 1945 CB PRO A 120 8.886 9.625 4.078 1.00 0.24 C ATOM 1946 CG PRO A 120 10.276 10.246 4.148 1.00 0.25 C ATOM 1947 CD PRO A 120 10.002 11.691 4.548 1.00 0.24 C ATOM 0 HA PRO A 120 7.059 10.319 5.055 1.00 0.22 H new ATOM 0 HB2 PRO A 120 8.917 8.546 4.231 1.00 0.24 H new ATOM 0 HB3 PRO A 120 8.416 9.796 3.110 1.00 0.24 H new ATOM 0 HG2 PRO A 120 10.905 9.740 4.880 1.00 0.25 H new ATOM 0 HG3 PRO A 120 10.791 10.186 3.189 1.00 0.25 H new ATOM 0 HD2 PRO A 120 10.770 12.064 5.226 1.00 0.24 H new ATOM 0 HD3 PRO A 120 10.000 12.346 3.677 1.00 0.24 H new ATOM 1955 N LEU A 121 8.002 8.369 6.665 1.00 0.21 N ATOM 1956 CA LEU A 121 8.126 7.587 7.892 1.00 0.22 C ATOM 1957 C LEU A 121 9.586 7.463 8.305 1.00 0.25 C ATOM 1958 O LEU A 121 9.955 7.758 9.439 1.00 0.33 O ATOM 1959 CB LEU A 121 7.508 6.188 7.695 1.00 0.20 C ATOM 1960 CG LEU A 121 6.320 5.976 8.632 1.00 0.25 C ATOM 1961 CD1 LEU A 121 5.569 4.714 8.219 1.00 0.57 C ATOM 1962 CD2 LEU A 121 6.741 5.845 10.094 1.00 0.52 C ATOM 0 H LEU A 121 7.604 7.841 5.888 1.00 0.21 H new ATOM 0 HA LEU A 121 7.587 8.103 8.686 1.00 0.22 H new ATOM 0 HB2 LEU A 121 7.185 6.072 6.661 1.00 0.20 H new ATOM 0 HB3 LEU A 121 8.263 5.424 7.881 1.00 0.20 H new ATOM 0 HG LEU A 121 5.682 6.856 8.549 1.00 0.25 H new ATOM 0 HD11 LEU A 121 4.721 4.561 8.886 1.00 0.57 H new ATOM 0 HD12 LEU A 121 5.211 4.823 7.195 1.00 0.57 H new ATOM 0 HD13 LEU A 121 6.238 3.856 8.280 1.00 0.57 H new ATOM 0 HD21 LEU A 121 5.858 5.696 10.715 1.00 0.52 H new ATOM 0 HD22 LEU A 121 7.411 4.992 10.205 1.00 0.52 H new ATOM 0 HD23 LEU A 121 7.256 6.753 10.407 1.00 0.52 H new ATOM 1974 N ARG A 122 10.423 7.003 7.377 1.00 0.24 N ATOM 1975 CA ARG A 122 11.852 6.877 7.584 1.00 0.28 C ATOM 1976 C ARG A 122 12.538 7.829 6.629 1.00 0.28 C ATOM 1977 O ARG A 122 12.791 7.468 5.481 1.00 0.28 O ATOM 1978 CB ARG A 122 12.295 5.430 7.343 1.00 0.32 C ATOM 1979 CG ARG A 122 11.967 4.540 8.556 1.00 0.39 C ATOM 1980 CD ARG A 122 13.084 3.532 8.883 1.00 0.54 C ATOM 1981 NE ARG A 122 13.748 3.803 10.174 1.00 1.45 N ATOM 1982 CZ ARG A 122 14.571 4.824 10.459 1.00 1.11 C ATOM 1983 NH1 ARG A 122 15.152 4.925 11.655 1.00 1.89 N ATOM 1984 NH2 ARG A 122 14.823 5.754 9.549 1.00 2.63 N ATOM 0 H ARG A 122 10.117 6.705 6.451 1.00 0.24 H new ATOM 0 HA ARG A 122 12.120 7.128 8.610 1.00 0.28 H new ATOM 0 HB2 ARG A 122 11.799 5.038 6.455 1.00 0.32 H new ATOM 0 HB3 ARG A 122 13.367 5.402 7.147 1.00 0.32 H new ATOM 0 HG2 ARG A 122 11.790 5.172 9.426 1.00 0.39 H new ATOM 0 HG3 ARG A 122 11.041 3.998 8.362 1.00 0.39 H new ATOM 0 HD2 ARG A 122 12.664 2.526 8.901 1.00 0.54 H new ATOM 0 HD3 ARG A 122 13.828 3.552 8.087 1.00 0.54 H new ATOM 0 HE ARG A 122 13.561 3.144 10.930 1.00 1.45 H new ATOM 0 HH11 ARG A 122 14.974 4.220 12.370 1.00 1.89 H new ATOM 0 HH12 ARG A 122 15.775 5.708 11.855 1.00 1.89 H new ATOM 0 HH21 ARG A 122 14.391 5.696 8.627 1.00 2.63 H new ATOM 0 HH22 ARG A 122 15.449 6.528 9.771 1.00 2.63 H new ATOM 1998 N ALA A 123 12.873 9.024 7.114 1.00 0.33 N ATOM 1999 CA ALA A 123 13.603 9.996 6.322 1.00 0.32 C ATOM 2000 C ALA A 123 14.853 9.363 5.722 1.00 0.31 C ATOM 2001 O ALA A 123 15.112 9.597 4.555 1.00 0.29 O ATOM 2002 CB ALA A 123 13.945 11.225 7.168 1.00 0.36 C ATOM 0 H ALA A 123 12.646 9.337 8.058 1.00 0.33 H new ATOM 0 HA ALA A 123 12.971 10.326 5.498 1.00 0.32 H new ATOM 0 HB1 ALA A 123 14.493 11.945 6.559 1.00 0.36 H new ATOM 0 HB2 ALA A 123 13.026 11.683 7.533 1.00 0.36 H new ATOM 0 HB3 ALA A 123 14.561 10.924 8.015 1.00 0.36 H new ATOM 2008 N ASP A 124 15.583 8.530 6.467 1.00 0.34 N ATOM 2009 CA ASP A 124 16.814 7.874 6.016 1.00 0.34 C ATOM 2010 C ASP A 124 16.631 7.149 4.683 1.00 0.31 C ATOM 2011 O ASP A 124 17.433 7.316 3.773 1.00 0.36 O ATOM 2012 CB ASP A 124 17.303 6.855 7.057 1.00 0.53 C ATOM 2013 CG ASP A 124 17.535 7.451 8.442 1.00 1.23 C ATOM 2014 OD1 ASP A 124 18.682 7.396 8.924 1.00 2.05 O ATOM 2015 OD2 ASP A 124 16.515 7.880 9.036 1.00 2.64 O ATOM 0 H ASP A 124 15.329 8.286 7.424 1.00 0.34 H new ATOM 0 HA ASP A 124 17.551 8.667 5.886 1.00 0.34 H new ATOM 0 HB2 ASP A 124 16.571 6.051 7.136 1.00 0.53 H new ATOM 0 HB3 ASP A 124 18.232 6.407 6.704 1.00 0.53 H new ATOM 2020 N LEU A 125 15.579 6.340 4.539 1.00 0.29 N ATOM 2021 CA LEU A 125 15.280 5.646 3.290 1.00 0.33 C ATOM 2022 C LEU A 125 15.107 6.662 2.149 1.00 0.30 C ATOM 2023 O LEU A 125 15.448 6.396 0.999 1.00 0.37 O ATOM 2024 CB LEU A 125 14.004 4.807 3.486 1.00 0.40 C ATOM 2025 CG LEU A 125 14.207 3.380 4.006 1.00 0.61 C ATOM 2026 CD1 LEU A 125 14.814 2.507 2.916 1.00 2.19 C ATOM 2027 CD2 LEU A 125 15.078 3.322 5.260 1.00 1.70 C ATOM 0 H LEU A 125 14.912 6.149 5.287 1.00 0.29 H new ATOM 0 HA LEU A 125 16.104 4.985 3.021 1.00 0.33 H new ATOM 0 HB2 LEU A 125 13.350 5.335 4.180 1.00 0.40 H new ATOM 0 HB3 LEU A 125 13.479 4.753 2.532 1.00 0.40 H new ATOM 0 HG LEU A 125 13.222 3.003 4.282 1.00 0.61 H new ATOM 0 HD11 LEU A 125 14.954 1.495 3.296 1.00 2.19 H new ATOM 0 HD12 LEU A 125 14.146 2.482 2.055 1.00 2.19 H new ATOM 0 HD13 LEU A 125 15.778 2.918 2.615 1.00 2.19 H new ATOM 0 HD21 LEU A 125 15.186 2.286 5.581 1.00 1.70 H new ATOM 0 HD22 LEU A 125 16.061 3.738 5.040 1.00 1.70 H new ATOM 0 HD23 LEU A 125 14.609 3.901 6.056 1.00 1.70 H new ATOM 2039 N ALA A 126 14.548 7.824 2.474 1.00 0.24 N ATOM 2040 CA ALA A 126 14.294 8.918 1.554 1.00 0.22 C ATOM 2041 C ALA A 126 15.577 9.676 1.235 1.00 0.22 C ATOM 2042 O ALA A 126 15.714 10.235 0.151 1.00 0.22 O ATOM 2043 CB ALA A 126 13.244 9.855 2.150 1.00 0.20 C ATOM 0 H ALA A 126 14.249 8.033 3.426 1.00 0.24 H new ATOM 0 HA ALA A 126 13.915 8.508 0.618 1.00 0.22 H new ATOM 0 HB1 ALA A 126 13.054 10.676 1.458 1.00 0.20 H new ATOM 0 HB2 ALA A 126 12.319 9.304 2.321 1.00 0.20 H new ATOM 0 HB3 ALA A 126 13.608 10.255 3.096 1.00 0.20 H new ATOM 2049 N GLU A 127 16.512 9.712 2.175 1.00 0.24 N ATOM 2050 CA GLU A 127 17.821 10.294 1.996 1.00 0.26 C ATOM 2051 C GLU A 127 18.591 9.442 1.019 1.00 0.29 C ATOM 2052 O GLU A 127 19.000 9.951 -0.008 1.00 0.33 O ATOM 2053 CB GLU A 127 18.585 10.426 3.312 1.00 0.29 C ATOM 2054 CG GLU A 127 17.859 11.418 4.213 1.00 0.32 C ATOM 2055 CD GLU A 127 18.853 12.296 4.972 1.00 0.72 C ATOM 2056 OE1 GLU A 127 18.979 12.120 6.199 1.00 2.12 O ATOM 2057 OE2 GLU A 127 19.528 13.103 4.289 1.00 1.70 O ATOM 0 H GLU A 127 16.369 9.324 3.107 1.00 0.24 H new ATOM 0 HA GLU A 127 17.701 11.306 1.609 1.00 0.26 H new ATOM 0 HB2 GLU A 127 18.658 9.456 3.803 1.00 0.29 H new ATOM 0 HB3 GLU A 127 19.603 10.765 3.123 1.00 0.29 H new ATOM 0 HG2 GLU A 127 17.199 12.044 3.613 1.00 0.32 H new ATOM 0 HG3 GLU A 127 17.230 10.879 4.921 1.00 0.32 H new ATOM 2064 N GLU A 128 18.768 8.152 1.288 1.00 0.29 N ATOM 2065 CA GLU A 128 19.522 7.293 0.387 1.00 0.28 C ATOM 2066 C GLU A 128 18.889 7.327 -1.009 1.00 0.28 C ATOM 2067 O GLU A 128 19.598 7.244 -2.006 1.00 0.33 O ATOM 2068 CB GLU A 128 19.603 5.872 0.965 1.00 0.32 C ATOM 2069 CG GLU A 128 20.643 4.989 0.253 1.00 0.46 C ATOM 2070 CD GLU A 128 22.074 5.535 0.337 1.00 2.04 C ATOM 2071 OE1 GLU A 128 22.383 6.213 1.339 1.00 3.54 O ATOM 2072 OE2 GLU A 128 22.855 5.273 -0.610 1.00 2.72 O ATOM 0 H GLU A 128 18.402 7.683 2.117 1.00 0.29 H new ATOM 0 HA GLU A 128 20.545 7.657 0.288 1.00 0.28 H new ATOM 0 HB2 GLU A 128 19.850 5.931 2.025 1.00 0.32 H new ATOM 0 HB3 GLU A 128 18.623 5.400 0.892 1.00 0.32 H new ATOM 0 HG2 GLU A 128 20.618 3.990 0.689 1.00 0.46 H new ATOM 0 HG3 GLU A 128 20.363 4.887 -0.795 1.00 0.46 H new ATOM 2079 N TYR A 129 17.569 7.527 -1.100 1.00 0.24 N ATOM 2080 CA TYR A 129 16.921 7.727 -2.398 1.00 0.23 C ATOM 2081 C TYR A 129 17.392 9.039 -3.024 1.00 0.22 C ATOM 2082 O TYR A 129 17.834 9.079 -4.166 1.00 0.26 O ATOM 2083 CB TYR A 129 15.392 7.748 -2.226 1.00 0.27 C ATOM 2084 CG TYR A 129 14.606 8.044 -3.498 1.00 0.78 C ATOM 2085 CD1 TYR A 129 14.051 6.990 -4.240 1.00 1.69 C ATOM 2086 CD2 TYR A 129 14.424 9.368 -3.947 1.00 2.10 C ATOM 2087 CE1 TYR A 129 13.378 7.235 -5.450 1.00 2.07 C ATOM 2088 CE2 TYR A 129 13.760 9.628 -5.161 1.00 2.61 C ATOM 2089 CZ TYR A 129 13.244 8.558 -5.926 1.00 2.10 C ATOM 2090 OH TYR A 129 12.646 8.798 -7.130 1.00 2.75 O ATOM 0 H TYR A 129 16.937 7.554 -0.300 1.00 0.24 H new ATOM 0 HA TYR A 129 17.193 6.903 -3.057 1.00 0.23 H new ATOM 0 HB2 TYR A 129 15.072 6.782 -1.835 1.00 0.27 H new ATOM 0 HB3 TYR A 129 15.136 8.496 -1.476 1.00 0.27 H new ATOM 0 HD1 TYR A 129 14.142 5.977 -3.877 1.00 1.69 H new ATOM 0 HD2 TYR A 129 14.797 10.190 -3.354 1.00 2.10 H new ATOM 0 HE1 TYR A 129 12.964 6.413 -6.015 1.00 2.07 H new ATOM 0 HE2 TYR A 129 13.645 10.645 -5.507 1.00 2.61 H new ATOM 0 HH TYR A 129 12.228 9.684 -7.117 1.00 2.75 H new ATOM 2100 N SER A 130 17.231 10.138 -2.293 1.00 0.24 N ATOM 2101 CA SER A 130 17.389 11.500 -2.776 1.00 0.29 C ATOM 2102 C SER A 130 18.840 11.757 -3.182 1.00 0.35 C ATOM 2103 O SER A 130 19.107 12.452 -4.160 1.00 0.54 O ATOM 2104 CB SER A 130 16.899 12.445 -1.666 1.00 0.32 C ATOM 2105 OG SER A 130 17.107 13.803 -1.991 1.00 0.58 O ATOM 0 H SER A 130 16.976 10.099 -1.306 1.00 0.24 H new ATOM 0 HA SER A 130 16.795 11.676 -3.673 1.00 0.29 H new ATOM 0 HB2 SER A 130 15.837 12.274 -1.488 1.00 0.32 H new ATOM 0 HB3 SER A 130 17.419 12.212 -0.737 1.00 0.32 H new ATOM 0 HG SER A 130 16.780 14.368 -1.260 1.00 0.58 H new ATOM 2111 N LYS A 131 19.773 11.189 -2.424 1.00 0.32 N ATOM 2112 CA LYS A 131 21.201 11.260 -2.651 1.00 0.36 C ATOM 2113 C LYS A 131 21.567 10.281 -3.761 1.00 0.40 C ATOM 2114 O LYS A 131 22.407 10.608 -4.594 1.00 0.53 O ATOM 2115 CB LYS A 131 21.974 10.950 -1.352 1.00 0.40 C ATOM 2116 CG LYS A 131 22.036 12.131 -0.361 1.00 0.62 C ATOM 2117 CD LYS A 131 20.753 12.294 0.462 1.00 0.90 C ATOM 2118 CE LYS A 131 20.774 13.486 1.423 1.00 1.49 C ATOM 2119 NZ LYS A 131 21.487 13.188 2.682 1.00 2.05 N ATOM 0 H LYS A 131 19.536 10.642 -1.597 1.00 0.32 H new ATOM 0 HA LYS A 131 21.478 12.269 -2.957 1.00 0.36 H new ATOM 0 HB2 LYS A 131 21.506 10.099 -0.858 1.00 0.40 H new ATOM 0 HB3 LYS A 131 22.990 10.651 -1.609 1.00 0.40 H new ATOM 0 HG2 LYS A 131 22.878 11.986 0.315 1.00 0.62 H new ATOM 0 HG3 LYS A 131 22.226 13.051 -0.913 1.00 0.62 H new ATOM 0 HD2 LYS A 131 19.909 12.405 -0.219 1.00 0.90 H new ATOM 0 HD3 LYS A 131 20.583 11.382 1.035 1.00 0.90 H new ATOM 0 HE2 LYS A 131 21.250 14.335 0.932 1.00 1.49 H new ATOM 0 HE3 LYS A 131 19.750 13.782 1.651 1.00 1.49 H new ATOM 0 HZ1 LYS A 131 20.800 12.922 3.416 1.00 2.05 H new ATOM 0 HZ2 LYS A 131 22.150 12.402 2.528 1.00 2.05 H new ATOM 0 HZ3 LYS A 131 22.014 14.030 2.990 1.00 2.05 H new ATOM 2133 N ASP A 132 20.983 9.078 -3.779 1.00 0.33 N ATOM 2134 CA ASP A 132 21.398 8.052 -4.725 1.00 0.40 C ATOM 2135 C ASP A 132 20.260 7.094 -5.091 1.00 0.31 C ATOM 2136 O ASP A 132 20.177 5.936 -4.667 1.00 0.30 O ATOM 2137 CB ASP A 132 22.606 7.309 -4.169 1.00 0.51 C ATOM 2138 CG ASP A 132 23.315 6.526 -5.267 1.00 0.65 C ATOM 2139 OD1 ASP A 132 22.633 6.066 -6.216 1.00 1.36 O ATOM 2140 OD2 ASP A 132 24.537 6.324 -5.071 1.00 2.13 O ATOM 0 H ASP A 132 20.228 8.798 -3.153 1.00 0.33 H new ATOM 0 HA ASP A 132 21.680 8.542 -5.657 1.00 0.40 H new ATOM 0 HB2 ASP A 132 23.299 8.019 -3.718 1.00 0.51 H new ATOM 0 HB3 ASP A 132 22.288 6.629 -3.379 1.00 0.51 H new ATOM 2145 N ARG A 133 19.405 7.560 -5.999 1.00 0.32 N ATOM 2146 CA ARG A 133 18.279 6.773 -6.483 1.00 0.30 C ATOM 2147 C ARG A 133 18.749 5.475 -7.127 1.00 0.27 C ATOM 2148 O ARG A 133 17.940 4.566 -7.281 1.00 0.31 O ATOM 2149 CB ARG A 133 17.411 7.526 -7.502 1.00 0.44 C ATOM 2150 CG ARG A 133 17.023 8.952 -7.066 1.00 0.80 C ATOM 2151 CD ARG A 133 16.591 9.826 -8.246 1.00 1.39 C ATOM 2152 NE ARG A 133 15.176 9.656 -8.597 1.00 1.84 N ATOM 2153 CZ ARG A 133 14.603 10.126 -9.710 1.00 2.68 C ATOM 2154 NH1 ARG A 133 13.280 10.070 -9.840 1.00 3.72 N ATOM 2155 NH2 ARG A 133 15.351 10.657 -10.681 1.00 3.24 N ATOM 0 H ARG A 133 19.474 8.488 -6.416 1.00 0.32 H new ATOM 0 HA ARG A 133 17.674 6.564 -5.600 1.00 0.30 H new ATOM 0 HB2 ARG A 133 17.947 7.581 -8.450 1.00 0.44 H new ATOM 0 HB3 ARG A 133 16.502 6.953 -7.683 1.00 0.44 H new ATOM 0 HG2 ARG A 133 16.211 8.899 -6.340 1.00 0.80 H new ATOM 0 HG3 ARG A 133 17.870 9.418 -6.563 1.00 0.80 H new ATOM 0 HD2 ARG A 133 16.776 10.872 -8.003 1.00 1.39 H new ATOM 0 HD3 ARG A 133 17.206 9.586 -9.113 1.00 1.39 H new ATOM 0 HE ARG A 133 14.586 9.141 -7.943 1.00 1.84 H new ATOM 0 HH11 ARG A 133 12.711 9.671 -9.094 1.00 3.72 H new ATOM 0 HH12 ARG A 133 12.835 10.426 -10.686 1.00 3.72 H new ATOM 0 HH21 ARG A 133 16.364 10.705 -10.575 1.00 3.24 H new ATOM 0 HH22 ARG A 133 14.909 11.014 -11.528 1.00 3.24 H new ATOM 2169 N LYS A 134 20.010 5.362 -7.561 1.00 0.27 N ATOM 2170 CA LYS A 134 20.464 4.134 -8.194 1.00 0.27 C ATOM 2171 C LYS A 134 20.640 3.046 -7.145 1.00 0.27 C ATOM 2172 O LYS A 134 20.250 1.913 -7.429 1.00 0.32 O ATOM 2173 CB LYS A 134 21.735 4.367 -9.022 1.00 0.34 C ATOM 2174 CG LYS A 134 21.405 4.972 -10.398 1.00 0.48 C ATOM 2175 CD LYS A 134 20.865 3.925 -11.387 1.00 2.37 C ATOM 2176 CE LYS A 134 20.596 4.574 -12.752 1.00 2.90 C ATOM 2177 NZ LYS A 134 20.128 3.593 -13.759 1.00 4.83 N ATOM 0 H LYS A 134 20.716 6.094 -7.485 1.00 0.27 H new ATOM 0 HA LYS A 134 19.704 3.796 -8.898 1.00 0.27 H new ATOM 0 HB2 LYS A 134 22.406 5.034 -8.481 1.00 0.34 H new ATOM 0 HB3 LYS A 134 22.263 3.423 -9.155 1.00 0.34 H new ATOM 0 HG2 LYS A 134 20.668 5.765 -10.275 1.00 0.48 H new ATOM 0 HG3 LYS A 134 22.302 5.432 -10.814 1.00 0.48 H new ATOM 0 HD2 LYS A 134 21.584 3.114 -11.497 1.00 2.37 H new ATOM 0 HD3 LYS A 134 19.946 3.486 -10.998 1.00 2.37 H new ATOM 0 HE2 LYS A 134 19.848 5.359 -12.638 1.00 2.90 H new ATOM 0 HE3 LYS A 134 21.508 5.052 -13.110 1.00 2.90 H new ATOM 0 HZ1 LYS A 134 19.960 4.078 -14.664 1.00 4.83 H new ATOM 0 HZ2 LYS A 134 20.852 2.857 -13.890 1.00 4.83 H new ATOM 0 HZ3 LYS A 134 19.244 3.154 -13.432 1.00 4.83 H new ATOM 2191 N LYS A 135 21.172 3.332 -5.948 1.00 0.27 N ATOM 2192 CA LYS A 135 21.145 2.285 -4.919 1.00 0.29 C ATOM 2193 C LYS A 135 19.727 1.964 -4.516 1.00 0.27 C ATOM 2194 O LYS A 135 19.455 0.808 -4.249 1.00 0.32 O ATOM 2195 CB LYS A 135 21.939 2.586 -3.642 1.00 0.41 C ATOM 2196 CG LYS A 135 23.444 2.402 -3.877 1.00 0.49 C ATOM 2197 CD LYS A 135 24.153 3.743 -3.804 1.00 1.12 C ATOM 2198 CE LYS A 135 24.819 4.033 -2.460 1.00 1.38 C ATOM 2199 NZ LYS A 135 24.995 5.489 -2.300 1.00 2.69 N ATOM 0 H LYS A 135 21.599 4.218 -5.679 1.00 0.27 H new ATOM 0 HA LYS A 135 21.635 1.440 -5.403 1.00 0.29 H new ATOM 0 HB2 LYS A 135 21.740 3.607 -3.317 1.00 0.41 H new ATOM 0 HB3 LYS A 135 21.609 1.926 -2.840 1.00 0.41 H new ATOM 0 HG2 LYS A 135 23.856 1.723 -3.130 1.00 0.49 H new ATOM 0 HG3 LYS A 135 23.614 1.945 -4.852 1.00 0.49 H new ATOM 0 HD2 LYS A 135 24.910 3.783 -4.587 1.00 1.12 H new ATOM 0 HD3 LYS A 135 23.433 4.533 -4.017 1.00 1.12 H new ATOM 0 HE2 LYS A 135 24.209 3.639 -1.647 1.00 1.38 H new ATOM 0 HE3 LYS A 135 25.785 3.531 -2.405 1.00 1.38 H new ATOM 0 HZ1 LYS A 135 25.951 5.686 -1.942 1.00 2.69 H new ATOM 0 HZ2 LYS A 135 24.867 5.957 -3.220 1.00 2.69 H new ATOM 0 HZ3 LYS A 135 24.291 5.852 -1.626 1.00 2.69 H new ATOM 2213 N PHE A 136 18.818 2.931 -4.441 1.00 0.27 N ATOM 2214 CA PHE A 136 17.438 2.623 -4.083 1.00 0.29 C ATOM 2215 C PHE A 136 16.863 1.666 -5.123 1.00 0.28 C ATOM 2216 O PHE A 136 16.222 0.677 -4.782 1.00 0.29 O ATOM 2217 CB PHE A 136 16.607 3.905 -3.982 1.00 0.32 C ATOM 2218 CG PHE A 136 15.143 3.706 -4.321 1.00 0.80 C ATOM 2219 CD1 PHE A 136 14.704 3.930 -5.640 1.00 2.43 C ATOM 2220 CD2 PHE A 136 14.230 3.276 -3.341 1.00 1.44 C ATOM 2221 CE1 PHE A 136 13.356 3.730 -5.979 1.00 3.01 C ATOM 2222 CE2 PHE A 136 12.878 3.095 -3.676 1.00 1.72 C ATOM 2223 CZ PHE A 136 12.442 3.329 -4.994 1.00 2.16 C ATOM 0 H PHE A 136 19.007 3.917 -4.620 1.00 0.27 H new ATOM 0 HA PHE A 136 17.408 2.144 -3.104 1.00 0.29 H new ATOM 0 HB2 PHE A 136 16.687 4.301 -2.970 1.00 0.32 H new ATOM 0 HB3 PHE A 136 17.028 4.655 -4.652 1.00 0.32 H new ATOM 0 HD1 PHE A 136 15.406 4.257 -6.393 1.00 2.43 H new ATOM 0 HD2 PHE A 136 14.568 3.085 -2.333 1.00 1.44 H new ATOM 0 HE1 PHE A 136 13.024 3.885 -6.995 1.00 3.01 H new ATOM 0 HE2 PHE A 136 12.173 2.776 -2.923 1.00 1.72 H new ATOM 0 HZ PHE A 136 11.400 3.199 -5.247 1.00 2.16 H new ATOM 2233 N CYS A 137 17.097 1.974 -6.397 1.00 0.29 N ATOM 2234 CA CYS A 137 16.536 1.237 -7.503 1.00 0.32 C ATOM 2235 C CYS A 137 17.026 -0.210 -7.420 1.00 0.29 C ATOM 2236 O CYS A 137 16.240 -1.150 -7.508 1.00 0.35 O ATOM 2237 CB CYS A 137 16.948 1.887 -8.827 1.00 0.35 C ATOM 2238 SG CYS A 137 16.035 1.127 -10.200 1.00 1.60 S ATOM 0 H CYS A 137 17.690 2.753 -6.683 1.00 0.29 H new ATOM 0 HA CYS A 137 15.447 1.249 -7.454 1.00 0.32 H new ATOM 0 HB2 CYS A 137 16.747 2.958 -8.794 1.00 0.35 H new ATOM 0 HB3 CYS A 137 18.020 1.768 -8.982 1.00 0.35 H new ATOM 0 HG CYS A 137 16.389 1.686 -11.319 1.00 1.60 H new ATOM 2244 N LYS A 138 18.345 -0.387 -7.277 1.00 0.26 N ATOM 2245 CA LYS A 138 18.930 -1.731 -7.345 1.00 0.29 C ATOM 2246 C LYS A 138 18.607 -2.518 -6.077 1.00 0.27 C ATOM 2247 O LYS A 138 18.306 -3.706 -6.140 1.00 0.26 O ATOM 2248 CB LYS A 138 20.444 -1.696 -7.608 1.00 0.39 C ATOM 2249 CG LYS A 138 20.748 -1.893 -9.101 1.00 0.74 C ATOM 2250 CD LYS A 138 20.445 -0.656 -9.955 1.00 1.05 C ATOM 2251 CE LYS A 138 21.508 0.431 -9.762 1.00 2.28 C ATOM 2252 NZ LYS A 138 22.812 0.042 -10.349 1.00 2.74 N ATOM 0 H LYS A 138 19.015 0.365 -7.117 1.00 0.26 H new ATOM 0 HA LYS A 138 18.478 -2.241 -8.196 1.00 0.29 H new ATOM 0 HB2 LYS A 138 20.853 -0.743 -7.273 1.00 0.39 H new ATOM 0 HB3 LYS A 138 20.936 -2.476 -7.027 1.00 0.39 H new ATOM 0 HG2 LYS A 138 21.799 -2.157 -9.218 1.00 0.74 H new ATOM 0 HG3 LYS A 138 20.165 -2.735 -9.475 1.00 0.74 H new ATOM 0 HD2 LYS A 138 20.400 -0.940 -11.006 1.00 1.05 H new ATOM 0 HD3 LYS A 138 19.465 -0.260 -9.689 1.00 1.05 H new ATOM 0 HE2 LYS A 138 21.166 1.358 -10.221 1.00 2.28 H new ATOM 0 HE3 LYS A 138 21.634 0.630 -8.698 1.00 2.28 H new ATOM 0 HZ1 LYS A 138 23.415 0.884 -10.443 1.00 2.74 H new ATOM 0 HZ2 LYS A 138 23.279 -0.651 -9.730 1.00 2.74 H new ATOM 0 HZ3 LYS A 138 22.658 -0.380 -11.287 1.00 2.74 H new ATOM 2266 N ASN A 139 18.652 -1.844 -4.929 1.00 0.31 N ATOM 2267 CA ASN A 139 18.203 -2.383 -3.654 1.00 0.32 C ATOM 2268 C ASN A 139 16.829 -2.998 -3.825 1.00 0.29 C ATOM 2269 O ASN A 139 16.639 -4.146 -3.451 1.00 0.33 O ATOM 2270 CB ASN A 139 18.114 -1.297 -2.574 1.00 0.43 C ATOM 2271 CG ASN A 139 19.373 -1.174 -1.728 1.00 0.57 C ATOM 2272 OD1 ASN A 139 19.920 -2.171 -1.270 1.00 1.30 O ATOM 2273 ND2 ASN A 139 19.806 0.042 -1.431 1.00 0.66 N ATOM 0 H ASN A 139 19.009 -0.891 -4.862 1.00 0.31 H new ATOM 0 HA ASN A 139 18.932 -3.129 -3.338 1.00 0.32 H new ATOM 0 HB2 ASN A 139 17.912 -0.338 -3.051 1.00 0.43 H new ATOM 0 HB3 ASN A 139 17.268 -1.513 -1.922 1.00 0.43 H new ATOM 0 HD21 ASN A 139 20.608 0.161 -0.812 1.00 0.66 H new ATOM 0 HD22 ASN A 139 19.338 0.860 -1.822 1.00 0.66 H new ATOM 2280 N ALA A 140 15.873 -2.240 -4.368 1.00 0.28 N ATOM 2281 CA ALA A 140 14.526 -2.734 -4.580 1.00 0.27 C ATOM 2282 C ALA A 140 14.563 -3.973 -5.460 1.00 0.22 C ATOM 2283 O ALA A 140 13.917 -4.952 -5.149 1.00 0.27 O ATOM 2284 CB ALA A 140 13.642 -1.654 -5.200 1.00 0.31 C ATOM 0 H ALA A 140 16.017 -1.276 -4.668 1.00 0.28 H new ATOM 0 HA ALA A 140 14.095 -3.002 -3.615 1.00 0.27 H new ATOM 0 HB1 ALA A 140 12.637 -2.048 -5.350 1.00 0.31 H new ATOM 0 HB2 ALA A 140 13.599 -0.792 -4.534 1.00 0.31 H new ATOM 0 HB3 ALA A 140 14.059 -1.349 -6.160 1.00 0.31 H new ATOM 2290 N GLU A 141 15.317 -3.956 -6.551 1.00 0.21 N ATOM 2291 CA GLU A 141 15.497 -5.092 -7.443 1.00 0.24 C ATOM 2292 C GLU A 141 15.802 -6.389 -6.694 1.00 0.29 C ATOM 2293 O GLU A 141 15.204 -7.426 -6.989 1.00 0.39 O ATOM 2294 CB GLU A 141 16.597 -4.727 -8.454 1.00 0.32 C ATOM 2295 CG GLU A 141 16.147 -5.034 -9.871 1.00 0.65 C ATOM 2296 CD GLU A 141 17.167 -4.585 -10.914 1.00 0.80 C ATOM 2297 OE1 GLU A 141 17.564 -3.398 -10.887 1.00 2.27 O ATOM 2298 OE2 GLU A 141 17.523 -5.470 -11.728 1.00 1.48 O ATOM 0 H GLU A 141 15.834 -3.128 -6.847 1.00 0.21 H new ATOM 0 HA GLU A 141 14.563 -5.292 -7.969 1.00 0.24 H new ATOM 0 HB2 GLU A 141 16.842 -3.668 -8.366 1.00 0.32 H new ATOM 0 HB3 GLU A 141 17.506 -5.284 -8.227 1.00 0.32 H new ATOM 0 HG2 GLU A 141 15.976 -6.106 -9.971 1.00 0.65 H new ATOM 0 HG3 GLU A 141 15.194 -4.540 -10.062 1.00 0.65 H new ATOM 2305 N GLU A 142 16.708 -6.345 -5.716 1.00 0.27 N ATOM 2306 CA GLU A 142 16.954 -7.520 -4.898 1.00 0.28 C ATOM 2307 C GLU A 142 15.783 -7.744 -3.954 1.00 0.29 C ATOM 2308 O GLU A 142 15.293 -8.858 -3.871 1.00 0.40 O ATOM 2309 CB GLU A 142 18.250 -7.415 -4.074 1.00 0.35 C ATOM 2310 CG GLU A 142 19.427 -8.169 -4.714 1.00 0.63 C ATOM 2311 CD GLU A 142 20.281 -8.868 -3.646 1.00 1.28 C ATOM 2312 OE1 GLU A 142 21.398 -8.381 -3.378 1.00 1.94 O ATOM 2313 OE2 GLU A 142 19.800 -9.890 -3.093 1.00 2.88 O ATOM 0 H GLU A 142 17.269 -5.527 -5.479 1.00 0.27 H new ATOM 0 HA GLU A 142 17.066 -8.361 -5.582 1.00 0.28 H new ATOM 0 HB2 GLU A 142 18.517 -6.365 -3.959 1.00 0.35 H new ATOM 0 HB3 GLU A 142 18.072 -7.810 -3.074 1.00 0.35 H new ATOM 0 HG2 GLU A 142 19.049 -8.907 -5.422 1.00 0.63 H new ATOM 0 HG3 GLU A 142 20.045 -7.472 -5.280 1.00 0.63 H new ATOM 2320 N PHE A 143 15.359 -6.730 -3.204 1.00 0.28 N ATOM 2321 CA PHE A 143 14.420 -6.878 -2.089 1.00 0.32 C ATOM 2322 C PHE A 143 13.128 -7.529 -2.567 1.00 0.27 C ATOM 2323 O PHE A 143 12.597 -8.444 -1.938 1.00 0.28 O ATOM 2324 CB PHE A 143 14.141 -5.507 -1.456 1.00 0.38 C ATOM 2325 CG PHE A 143 14.363 -5.419 0.042 1.00 0.99 C ATOM 2326 CD1 PHE A 143 13.445 -4.712 0.840 1.00 0.92 C ATOM 2327 CD2 PHE A 143 15.552 -5.906 0.617 1.00 2.03 C ATOM 2328 CE1 PHE A 143 13.710 -4.510 2.206 1.00 1.69 C ATOM 2329 CE2 PHE A 143 15.807 -5.715 1.987 1.00 2.79 C ATOM 2330 CZ PHE A 143 14.884 -5.015 2.782 1.00 2.58 C ATOM 0 H PHE A 143 15.661 -5.767 -3.354 1.00 0.28 H new ATOM 0 HA PHE A 143 14.864 -7.525 -1.332 1.00 0.32 H new ATOM 0 HB2 PHE A 143 14.775 -4.766 -1.943 1.00 0.38 H new ATOM 0 HB3 PHE A 143 13.108 -5.232 -1.669 1.00 0.38 H new ATOM 0 HD1 PHE A 143 12.537 -4.324 0.403 1.00 0.92 H new ATOM 0 HD2 PHE A 143 16.271 -6.428 0.004 1.00 2.03 H new ATOM 0 HE1 PHE A 143 13.005 -3.963 2.815 1.00 1.69 H new ATOM 0 HE2 PHE A 143 16.712 -6.106 2.428 1.00 2.79 H new ATOM 0 HZ PHE A 143 15.078 -4.866 3.834 1.00 2.58 H new ATOM 2340 N THR A 144 12.662 -7.065 -3.719 1.00 0.25 N ATOM 2341 CA THR A 144 11.607 -7.653 -4.502 1.00 0.26 C ATOM 2342 C THR A 144 11.867 -9.154 -4.659 1.00 0.27 C ATOM 2343 O THR A 144 11.015 -9.949 -4.286 1.00 0.28 O ATOM 2344 CB THR A 144 11.500 -6.897 -5.835 1.00 0.31 C ATOM 2345 OG1 THR A 144 11.085 -5.564 -5.616 1.00 0.35 O ATOM 2346 CG2 THR A 144 10.455 -7.547 -6.720 1.00 0.33 C ATOM 0 H THR A 144 13.038 -6.220 -4.148 1.00 0.25 H new ATOM 0 HA THR A 144 10.640 -7.561 -4.007 1.00 0.26 H new ATOM 0 HB THR A 144 12.482 -6.921 -6.307 1.00 0.31 H new ATOM 0 HG1 THR A 144 11.865 -5.009 -5.408 1.00 0.35 H new ATOM 0 HG21 THR A 144 10.387 -7.003 -7.662 1.00 0.33 H new ATOM 0 HG22 THR A 144 10.737 -8.581 -6.917 1.00 0.33 H new ATOM 0 HG23 THR A 144 9.488 -7.525 -6.218 1.00 0.33 H new ATOM 2354 N LYS A 145 13.023 -9.587 -5.174 1.00 0.30 N ATOM 2355 CA LYS A 145 13.267 -11.030 -5.255 1.00 0.37 C ATOM 2356 C LYS A 145 13.341 -11.720 -3.884 1.00 0.37 C ATOM 2357 O LYS A 145 12.986 -12.892 -3.797 1.00 0.57 O ATOM 2358 CB LYS A 145 14.435 -11.364 -6.208 1.00 0.52 C ATOM 2359 CG LYS A 145 15.838 -11.630 -5.628 1.00 1.77 C ATOM 2360 CD LYS A 145 15.977 -12.981 -4.908 1.00 2.28 C ATOM 2361 CE LYS A 145 17.445 -13.383 -4.727 1.00 2.95 C ATOM 2362 NZ LYS A 145 18.047 -13.897 -5.975 1.00 3.17 N ATOM 0 H LYS A 145 13.772 -8.991 -5.526 1.00 0.30 H new ATOM 0 HA LYS A 145 12.382 -11.472 -5.713 1.00 0.37 H new ATOM 0 HB2 LYS A 145 14.147 -12.245 -6.781 1.00 0.52 H new ATOM 0 HB3 LYS A 145 14.525 -10.539 -6.915 1.00 0.52 H new ATOM 0 HG2 LYS A 145 16.568 -11.585 -6.437 1.00 1.77 H new ATOM 0 HG3 LYS A 145 16.087 -10.831 -4.929 1.00 1.77 H new ATOM 0 HD2 LYS A 145 15.493 -12.924 -3.933 1.00 2.28 H new ATOM 0 HD3 LYS A 145 15.457 -13.751 -5.478 1.00 2.28 H new ATOM 0 HE2 LYS A 145 18.015 -12.521 -4.380 1.00 2.95 H new ATOM 0 HE3 LYS A 145 17.517 -14.145 -3.951 1.00 2.95 H new ATOM 0 HZ1 LYS A 145 19.029 -14.187 -5.793 1.00 3.17 H new ATOM 0 HZ2 LYS A 145 17.501 -14.716 -6.312 1.00 3.17 H new ATOM 0 HZ3 LYS A 145 18.035 -13.151 -6.699 1.00 3.17 H new ATOM 2376 N LYS A 146 13.857 -11.074 -2.826 1.00 0.33 N ATOM 2377 CA LYS A 146 14.021 -11.694 -1.511 1.00 0.34 C ATOM 2378 C LYS A 146 12.655 -12.083 -0.949 1.00 0.32 C ATOM 2379 O LYS A 146 12.436 -13.233 -0.583 1.00 0.37 O ATOM 2380 CB LYS A 146 14.719 -10.747 -0.509 1.00 0.40 C ATOM 2381 CG LYS A 146 16.110 -10.220 -0.885 1.00 0.79 C ATOM 2382 CD LYS A 146 17.181 -11.295 -1.081 1.00 1.49 C ATOM 2383 CE LYS A 146 18.382 -10.983 -0.174 1.00 1.53 C ATOM 2384 NZ LYS A 146 19.656 -11.493 -0.722 1.00 2.61 N ATOM 0 H LYS A 146 14.172 -10.104 -2.864 1.00 0.33 H new ATOM 0 HA LYS A 146 14.647 -12.576 -1.644 1.00 0.34 H new ATOM 0 HB2 LYS A 146 14.067 -9.889 -0.346 1.00 0.40 H new ATOM 0 HB3 LYS A 146 14.803 -11.269 0.444 1.00 0.40 H new ATOM 0 HG2 LYS A 146 16.026 -9.641 -1.805 1.00 0.79 H new ATOM 0 HG3 LYS A 146 16.444 -9.534 -0.107 1.00 0.79 H new ATOM 0 HD2 LYS A 146 16.775 -12.278 -0.842 1.00 1.49 H new ATOM 0 HD3 LYS A 146 17.496 -11.326 -2.124 1.00 1.49 H new ATOM 0 HE2 LYS A 146 18.457 -9.905 -0.035 1.00 1.53 H new ATOM 0 HE3 LYS A 146 18.213 -11.421 0.810 1.00 1.53 H new ATOM 0 HZ1 LYS A 146 20.419 -11.332 -0.034 1.00 2.61 H new ATOM 0 HZ2 LYS A 146 19.570 -12.512 -0.910 1.00 2.61 H new ATOM 0 HZ3 LYS A 146 19.877 -10.995 -1.608 1.00 2.61 H new ATOM 2398 N TYR A 147 11.789 -11.084 -0.790 1.00 0.29 N ATOM 2399 CA TYR A 147 10.512 -11.184 -0.100 1.00 0.30 C ATOM 2400 C TYR A 147 9.334 -10.745 -0.960 1.00 0.30 C ATOM 2401 O TYR A 147 8.207 -11.107 -0.638 1.00 0.36 O ATOM 2402 CB TYR A 147 10.547 -10.305 1.145 1.00 0.35 C ATOM 2403 CG TYR A 147 10.742 -11.112 2.398 1.00 0.37 C ATOM 2404 CD1 TYR A 147 9.616 -11.636 3.054 1.00 1.87 C ATOM 2405 CD2 TYR A 147 12.036 -11.428 2.838 1.00 1.73 C ATOM 2406 CE1 TYR A 147 9.784 -12.479 4.161 1.00 1.91 C ATOM 2407 CE2 TYR A 147 12.210 -12.276 3.942 1.00 1.72 C ATOM 2408 CZ TYR A 147 11.081 -12.805 4.613 1.00 0.47 C ATOM 2409 OH TYR A 147 11.229 -13.625 5.690 1.00 0.55 O ATOM 0 H TYR A 147 11.968 -10.148 -1.154 1.00 0.29 H new ATOM 0 HA TYR A 147 10.369 -12.235 0.150 1.00 0.30 H new ATOM 0 HB2 TYR A 147 11.354 -9.578 1.053 1.00 0.35 H new ATOM 0 HB3 TYR A 147 9.617 -9.742 1.218 1.00 0.35 H new ATOM 0 HD1 TYR A 147 8.624 -11.390 2.706 1.00 1.87 H new ATOM 0 HD2 TYR A 147 12.896 -11.020 2.328 1.00 1.73 H new ATOM 0 HE1 TYR A 147 8.920 -12.880 4.669 1.00 1.91 H new ATOM 0 HE2 TYR A 147 13.205 -12.525 4.280 1.00 1.72 H new ATOM 0 HH TYR A 147 12.183 -13.753 5.875 1.00 0.55 H new ATOM 2419 N GLY A 148 9.559 -9.868 -1.941 1.00 0.27 N ATOM 2420 CA GLY A 148 8.499 -9.291 -2.753 1.00 0.26 C ATOM 2421 C GLY A 148 7.588 -10.373 -3.320 1.00 0.25 C ATOM 2422 O GLY A 148 8.021 -11.488 -3.609 1.00 0.29 O ATOM 0 H GLY A 148 10.491 -9.539 -2.192 1.00 0.27 H new ATOM 0 HA2 GLY A 148 7.913 -8.597 -2.151 1.00 0.26 H new ATOM 0 HA3 GLY A 148 8.935 -8.715 -3.569 1.00 0.26 H new ATOM 2426 N GLU A 149 6.306 -10.043 -3.462 1.00 0.23 N ATOM 2427 CA GLU A 149 5.341 -11.012 -3.948 1.00 0.23 C ATOM 2428 C GLU A 149 5.640 -11.329 -5.410 1.00 0.25 C ATOM 2429 O GLU A 149 6.384 -10.620 -6.082 1.00 0.37 O ATOM 2430 CB GLU A 149 3.907 -10.488 -3.787 1.00 0.30 C ATOM 2431 CG GLU A 149 3.160 -11.200 -2.651 1.00 0.66 C ATOM 2432 CD GLU A 149 2.935 -12.703 -2.812 1.00 0.50 C ATOM 2433 OE1 GLU A 149 3.532 -13.294 -3.736 1.00 1.45 O ATOM 2434 OE2 GLU A 149 2.172 -13.240 -1.975 1.00 1.22 O ATOM 0 H GLU A 149 5.920 -9.123 -3.249 1.00 0.23 H new ATOM 0 HA GLU A 149 5.424 -11.924 -3.357 1.00 0.23 H new ATOM 0 HB2 GLU A 149 3.932 -9.416 -3.589 1.00 0.30 H new ATOM 0 HB3 GLU A 149 3.363 -10.626 -4.721 1.00 0.30 H new ATOM 0 HG2 GLU A 149 3.712 -11.036 -1.726 1.00 0.66 H new ATOM 0 HG3 GLU A 149 2.188 -10.722 -2.531 1.00 0.66 H new ATOM 2441 N LYS A 150 5.036 -12.375 -5.953 1.00 0.30 N ATOM 2442 CA LYS A 150 5.329 -12.790 -7.311 1.00 0.37 C ATOM 2443 C LYS A 150 4.245 -12.198 -8.186 1.00 0.43 C ATOM 2444 O LYS A 150 3.139 -12.727 -8.266 1.00 0.53 O ATOM 2445 CB LYS A 150 5.448 -14.315 -7.370 1.00 0.53 C ATOM 2446 CG LYS A 150 6.506 -14.712 -6.333 1.00 1.90 C ATOM 2447 CD LYS A 150 6.902 -16.183 -6.382 1.00 2.32 C ATOM 2448 CE LYS A 150 7.659 -16.430 -5.076 1.00 3.84 C ATOM 2449 NZ LYS A 150 8.279 -17.769 -5.026 1.00 4.58 N ATOM 0 H LYS A 150 4.342 -12.949 -5.474 1.00 0.30 H new ATOM 0 HA LYS A 150 6.289 -12.426 -7.677 1.00 0.37 H new ATOM 0 HB2 LYS A 150 4.491 -14.787 -7.148 1.00 0.53 H new ATOM 0 HB3 LYS A 150 5.741 -14.643 -8.367 1.00 0.53 H new ATOM 0 HG2 LYS A 150 7.396 -14.102 -6.485 1.00 1.90 H new ATOM 0 HG3 LYS A 150 6.128 -14.481 -5.337 1.00 1.90 H new ATOM 0 HD2 LYS A 150 6.025 -16.826 -6.458 1.00 2.32 H new ATOM 0 HD3 LYS A 150 7.529 -16.395 -7.248 1.00 2.32 H new ATOM 0 HE2 LYS A 150 8.432 -15.671 -4.959 1.00 3.84 H new ATOM 0 HE3 LYS A 150 6.973 -16.319 -4.236 1.00 3.84 H new ATOM 0 HZ1 LYS A 150 8.779 -17.886 -4.122 1.00 4.58 H new ATOM 0 HZ2 LYS A 150 7.541 -18.497 -5.110 1.00 4.58 H new ATOM 0 HZ3 LYS A 150 8.954 -17.868 -5.811 1.00 4.58 H new ATOM 2463 N ARG A 151 4.542 -11.036 -8.775 1.00 0.41 N ATOM 2464 CA ARG A 151 3.557 -10.317 -9.566 1.00 0.40 C ATOM 2465 C ARG A 151 3.082 -11.211 -10.714 1.00 0.49 C ATOM 2466 O ARG A 151 3.801 -12.123 -11.126 1.00 0.59 O ATOM 2467 CB ARG A 151 4.092 -8.930 -9.983 1.00 0.43 C ATOM 2468 CG ARG A 151 4.661 -8.743 -11.398 1.00 0.95 C ATOM 2469 CD ARG A 151 5.912 -9.584 -11.686 1.00 0.98 C ATOM 2470 NE ARG A 151 5.627 -10.641 -12.658 1.00 1.52 N ATOM 2471 CZ ARG A 151 6.299 -11.787 -12.773 1.00 2.19 C ATOM 2472 NH1 ARG A 151 5.779 -12.783 -13.489 1.00 2.90 N ATOM 2473 NH2 ARG A 151 7.483 -11.928 -12.177 1.00 3.16 N ATOM 0 H ARG A 151 5.453 -10.581 -8.716 1.00 0.41 H new ATOM 0 HA ARG A 151 2.670 -10.093 -8.974 1.00 0.40 H new ATOM 0 HB2 ARG A 151 3.280 -8.214 -9.858 1.00 0.43 H new ATOM 0 HB3 ARG A 151 4.873 -8.653 -9.275 1.00 0.43 H new ATOM 0 HG2 ARG A 151 3.890 -8.998 -12.125 1.00 0.95 H new ATOM 0 HG3 ARG A 151 4.902 -7.690 -11.545 1.00 0.95 H new ATOM 0 HD2 ARG A 151 6.706 -8.941 -12.066 1.00 0.98 H new ATOM 0 HD3 ARG A 151 6.277 -10.027 -10.759 1.00 0.98 H new ATOM 0 HE ARG A 151 4.850 -10.488 -13.301 1.00 1.52 H new ATOM 0 HH11 ARG A 151 4.874 -12.665 -13.944 1.00 2.90 H new ATOM 0 HH12 ARG A 151 6.286 -13.663 -13.582 1.00 2.90 H new ATOM 0 HH21 ARG A 151 7.875 -11.159 -11.633 1.00 3.16 H new ATOM 0 HH22 ARG A 151 7.997 -12.805 -12.265 1.00 3.16 H new