USER MOD reduce.3.24.130724 H: found=0, std=0, add=1221, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 1043 hydrogens (23 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 122 CYS SG : rot -94:sc= 1.3 USER MOD Set 1.2: A 186 APR O3' : rot 178:sc= 0.322 USER MOD Set 2.1: A 35 SER OG : rot 180:sc= 0.00646 USER MOD Set 2.2: A 186 APR O1D : rot -23:sc= -0.367 USER MOD Set 3.1: A 84 LYS NZ :NH3+ 179:sc= 0.841 (180deg=-0.38) USER MOD Set 3.2: A 92 THR OG1 : rot 180:sc= -0.28 USER MOD Set 3.3: A 95 ASN : amide:sc= -0.822! C(o=-0.26!,f=-4.7!) USER MOD Set 4.1: A 79 TYR OH : rot 90:sc= 2.16 USER MOD Set 4.2: A 106 HIS : no HE2:sc= 0.877 K(o=5.1,f=-3.5!) USER MOD Set 4.3: A 107 CYS SG : rot 73:sc= 2.02 USER MOD Set 5.1: A 77 TYR OH : rot 166:sc= -0.035 USER MOD Set 5.2: A 110 ASN :FLIP amide:sc= 0.549 F(o=-0.22!,f=0.51) USER MOD Set 6.1: A 65 SER OG : rot 160:sc= 0.86 USER MOD Set 6.2: A 85 LYS NZ :NH3+ -178:sc= 0.608 (180deg=-0.33) USER MOD Set 7.1: A 16 TYR OH : rot -130:sc= 1.3 USER MOD Set 7.2: A 133 SER OG : rot 165:sc= 1.08 USER MOD Single : A 3 SER OG : rot 35:sc= 0.0386 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.0492 K(o=-0.049,f=-1.3) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0278) USER MOD Single : A 24 CYS SG : rot -7:sc= -0.758! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc=-0.00106 USER MOD Single : A 29 SER OG : rot -170:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.965 K(o=-0.96,f=-2.2) USER MOD Single : A 33 CYS SG : rot 180:sc= -1.31 USER MOD Single : A 38 CYS SG : rot 49:sc= 0.453 USER MOD Single : A 40 MET CE :methyl -115:sc= -0.0352 (180deg=-0.878) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 164:sc= -0.0418 (180deg=-0.412) USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= -0.0286 (180deg=-0.26) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= 0.331 K(o=0.33,f=-0.22) USER MOD Single : A 61 GLN : amide:sc= -1.55 X(o=-1.5,f=-2!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 63 LYS NZ :NH3+ 157:sc= 1.24 (180deg=1.03) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -73:sc= 0.918 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 HIS :FLIP no HE2:sc= -0.343 F(o=-1.2,f=-0.34) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 130:sc= 0.461 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 78:sc= 1.02 USER MOD Single : A 103 MET CE :methyl -147:sc= -0.942 (180deg=-2.54) USER MOD Single : A 104 LYS NZ :NH3+ 164:sc= 0.95 (180deg=0.774) USER MOD Single : A 105 SER OG : rot 89:sc= 1.13 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -152:sc= 0.858 USER MOD Single : A 117 MET CE :methyl 164:sc= -2.8 (180deg=-3.72!) USER MOD Single : A 128 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.15) USER MOD Single : A 131 ASN :FLIP amide:sc= -1.14 F(o=-3.3!,f=-1.1) USER MOD Single : A 135 MET CE :methyl 152:sc= -0.251 (180deg=-0.765) USER MOD Single : A 143 THR OG1 : rot -45:sc= 1.26 USER MOD Single : A 146 LYS NZ :NH3+ 148:sc= 2.14 (180deg=0.844) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 6:sc= 0.944 USER MOD Single : A 151 THR OG1 : rot 170:sc= 0.0412 USER MOD Single : A 186 APR O2' : rot -100:sc= 0.257 USER MOD Single : A 186 APR O2D : rot -122:sc= 0.318 USER MOD Single : A 186 APR O3D : rot 168:sc= -2.7! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 -12.791 16.934 24.006 1.00 63.31 N ATOM 2 CA SER A 3 -13.683 16.360 23.049 1.00 32.24 C ATOM 3 C SER A 3 -13.043 16.347 21.677 1.00 23.15 C ATOM 4 O SER A 3 -13.193 17.288 20.894 1.00 63.41 O ATOM 5 CB SER A 3 -15.029 17.114 23.010 1.00 31.02 C ATOM 6 OG SER A 3 -15.675 17.073 24.283 1.00 40.01 O ATOM 0 HA SER A 3 -13.887 15.333 23.354 1.00 32.24 H new ATOM 0 HB2 SER A 3 -14.861 18.150 22.716 1.00 31.02 H new ATOM 0 HB3 SER A 3 -15.677 16.670 22.255 1.00 31.02 H new ATOM 0 HG SER A 3 -15.001 17.106 24.993 1.00 40.01 H new ATOM 12 N SER A 4 -12.265 15.336 21.429 1.00 52.01 N ATOM 13 CA SER A 4 -11.668 15.156 20.148 1.00 63.40 C ATOM 14 C SER A 4 -12.282 13.921 19.518 1.00 72.44 C ATOM 15 O SER A 4 -11.771 12.811 19.662 1.00 51.22 O ATOM 16 CB SER A 4 -10.142 15.025 20.264 1.00 12.43 C ATOM 17 OG SER A 4 -9.584 16.153 20.943 1.00 70.31 O ATOM 0 H SER A 4 -12.029 14.615 22.111 1.00 52.01 H new ATOM 0 HA SER A 4 -11.859 16.026 19.519 1.00 63.40 H new ATOM 0 HB2 SER A 4 -9.891 14.111 20.802 1.00 12.43 H new ATOM 0 HB3 SER A 4 -9.703 14.940 19.270 1.00 12.43 H new ATOM 0 HG SER A 4 -8.612 16.048 21.007 1.00 70.31 H new ATOM 23 N LEU A 5 -13.430 14.106 18.920 1.00 23.42 N ATOM 24 CA LEU A 5 -14.160 13.028 18.317 1.00 25.40 C ATOM 25 C LEU A 5 -14.614 13.461 16.944 1.00 21.12 C ATOM 26 O LEU A 5 -15.520 14.283 16.808 1.00 23.54 O ATOM 27 CB LEU A 5 -15.371 12.665 19.199 1.00 2.01 C ATOM 28 CG LEU A 5 -16.233 11.483 18.749 1.00 44.14 C ATOM 29 CD1 LEU A 5 -15.427 10.194 18.750 1.00 41.13 C ATOM 30 CD2 LEU A 5 -17.454 11.351 19.644 1.00 4.32 C ATOM 0 H LEU A 5 -13.885 15.015 18.839 1.00 23.42 H new ATOM 0 HA LEU A 5 -13.526 12.146 18.226 1.00 25.40 H new ATOM 0 HB2 LEU A 5 -15.006 12.454 20.204 1.00 2.01 H new ATOM 0 HB3 LEU A 5 -16.012 13.543 19.271 1.00 2.01 H new ATOM 0 HG LEU A 5 -16.568 11.671 17.729 1.00 44.14 H new ATOM 0 HD11 LEU A 5 -16.061 9.368 18.427 1.00 41.13 H new ATOM 0 HD12 LEU A 5 -14.583 10.292 18.067 1.00 41.13 H new ATOM 0 HD13 LEU A 5 -15.059 9.996 19.757 1.00 41.13 H new ATOM 0 HD21 LEU A 5 -18.058 10.507 19.313 1.00 4.32 H new ATOM 0 HD22 LEU A 5 -17.135 11.187 20.673 1.00 4.32 H new ATOM 0 HD23 LEU A 5 -18.046 12.265 19.589 1.00 4.32 H new ATOM 38 N ASN A 6 -13.963 12.963 15.937 1.00 33.43 N ATOM 39 CA ASN A 6 -14.284 13.341 14.582 1.00 42.40 C ATOM 40 C ASN A 6 -13.991 12.197 13.632 1.00 64.22 C ATOM 41 O ASN A 6 -13.077 11.386 13.867 1.00 31.41 O ATOM 42 CB ASN A 6 -13.475 14.582 14.162 1.00 2.34 C ATOM 43 CG ASN A 6 -13.850 15.098 12.778 1.00 52.34 C ATOM 44 OD1 ASN A 6 -14.999 15.001 12.350 1.00 31.00 O ATOM 45 ND2 ASN A 6 -12.890 15.623 12.073 1.00 34.44 N ATOM 0 H ASN A 6 -13.201 12.290 16.022 1.00 33.43 H new ATOM 0 HA ASN A 6 -15.347 13.579 14.537 1.00 42.40 H new ATOM 0 HB2 ASN A 6 -13.631 15.375 14.894 1.00 2.34 H new ATOM 0 HB3 ASN A 6 -12.413 14.338 14.177 1.00 2.34 H new ATOM 0 HD21 ASN A 6 -13.079 15.970 11.133 1.00 34.44 H new ATOM 0 HD22 ASN A 6 -11.949 15.687 12.461 1.00 34.44 H new ATOM 51 N GLU A 7 -14.759 12.129 12.592 1.00 33.42 N ATOM 52 CA GLU A 7 -14.611 11.158 11.566 1.00 42.24 C ATOM 53 C GLU A 7 -15.131 11.779 10.292 1.00 51.22 C ATOM 54 O GLU A 7 -16.017 12.648 10.345 1.00 3.52 O ATOM 55 CB GLU A 7 -15.353 9.868 11.929 1.00 54.01 C ATOM 56 CG GLU A 7 -16.845 10.014 12.123 1.00 4.33 C ATOM 57 CD GLU A 7 -17.463 8.748 12.632 1.00 33.53 C ATOM 58 OE1 GLU A 7 -17.751 7.838 11.822 1.00 75.41 O ATOM 59 OE2 GLU A 7 -17.661 8.631 13.861 1.00 10.42 O ATOM 0 H GLU A 7 -15.533 12.773 12.432 1.00 33.42 H new ATOM 0 HA GLU A 7 -13.566 10.875 11.437 1.00 42.24 H new ATOM 0 HB2 GLU A 7 -15.175 9.133 11.144 1.00 54.01 H new ATOM 0 HB3 GLU A 7 -14.922 9.466 12.846 1.00 54.01 H new ATOM 0 HG2 GLU A 7 -17.043 10.824 12.825 1.00 4.33 H new ATOM 0 HG3 GLU A 7 -17.310 10.291 11.177 1.00 4.33 H new ATOM 66 N ASP A 8 -14.599 11.377 9.177 1.00 24.33 N ATOM 67 CA ASP A 8 -14.954 11.985 7.900 1.00 32.22 C ATOM 68 C ASP A 8 -14.569 11.098 6.722 1.00 74.04 C ATOM 69 O ASP A 8 -13.480 11.207 6.162 1.00 3.33 O ATOM 70 CB ASP A 8 -14.410 13.452 7.753 1.00 32.41 C ATOM 71 CG ASP A 8 -12.893 13.607 7.903 1.00 52.02 C ATOM 72 OD1 ASP A 8 -12.380 13.567 9.059 1.00 54.52 O ATOM 73 OD2 ASP A 8 -12.188 13.781 6.880 1.00 33.23 O ATOM 0 H ASP A 8 -13.912 10.626 9.111 1.00 24.33 H new ATOM 0 HA ASP A 8 -16.041 12.069 7.888 1.00 32.22 H new ATOM 0 HB2 ASP A 8 -14.702 13.834 6.775 1.00 32.41 H new ATOM 0 HB3 ASP A 8 -14.898 14.079 8.499 1.00 32.41 H new ATOM 78 N PRO A 9 -15.427 10.130 6.397 1.00 4.34 N ATOM 79 CA PRO A 9 -15.222 9.221 5.297 1.00 63.41 C ATOM 80 C PRO A 9 -16.132 9.482 4.089 1.00 71.43 C ATOM 81 O PRO A 9 -17.203 10.100 4.197 1.00 13.33 O ATOM 82 CB PRO A 9 -15.648 7.904 5.925 1.00 55.12 C ATOM 83 CG PRO A 9 -16.704 8.275 6.951 1.00 24.25 C ATOM 84 CD PRO A 9 -16.639 9.776 7.141 1.00 34.23 C ATOM 0 HA PRO A 9 -14.206 9.287 4.908 1.00 63.41 H new ATOM 0 HB2 PRO A 9 -16.050 7.222 5.175 1.00 55.12 H new ATOM 0 HB3 PRO A 9 -14.803 7.400 6.394 1.00 55.12 H new ATOM 0 HG2 PRO A 9 -17.694 7.973 6.610 1.00 24.25 H new ATOM 0 HG3 PRO A 9 -16.521 7.760 7.894 1.00 24.25 H new ATOM 0 HD2 PRO A 9 -17.522 10.275 6.742 1.00 34.23 H new ATOM 0 HD3 PRO A 9 -16.566 10.050 8.193 1.00 34.23 H new ATOM 92 N GLU A 10 -15.700 9.014 2.938 1.00 32.40 N ATOM 93 CA GLU A 10 -16.556 9.012 1.764 1.00 24.43 C ATOM 94 C GLU A 10 -17.185 7.633 1.622 1.00 31.10 C ATOM 95 O GLU A 10 -18.084 7.424 0.816 1.00 25.24 O ATOM 96 CB GLU A 10 -15.813 9.389 0.459 1.00 11.30 C ATOM 97 CG GLU A 10 -15.346 10.846 0.333 1.00 61.13 C ATOM 98 CD GLU A 10 -14.256 11.239 1.286 1.00 14.01 C ATOM 99 OE1 GLU A 10 -13.093 11.063 0.953 1.00 54.44 O ATOM 100 OE2 GLU A 10 -14.546 11.751 2.378 1.00 20.02 O ATOM 0 H GLU A 10 -14.767 8.631 2.787 1.00 32.40 H new ATOM 0 HA GLU A 10 -17.317 9.779 1.913 1.00 24.43 H new ATOM 0 HB2 GLU A 10 -14.941 8.742 0.364 1.00 11.30 H new ATOM 0 HB3 GLU A 10 -16.468 9.167 -0.383 1.00 11.30 H new ATOM 0 HG2 GLU A 10 -14.998 11.015 -0.686 1.00 61.13 H new ATOM 0 HG3 GLU A 10 -16.202 11.503 0.490 1.00 61.13 H new ATOM 107 N GLY A 11 -16.702 6.701 2.443 1.00 73.32 N ATOM 108 CA GLY A 11 -17.190 5.342 2.419 1.00 53.13 C ATOM 109 C GLY A 11 -16.711 4.588 1.209 1.00 70.40 C ATOM 110 O GLY A 11 -17.453 4.408 0.249 1.00 13.43 O ATOM 0 H GLY A 11 -15.970 6.874 3.132 1.00 73.32 H new ATOM 0 HA2 GLY A 11 -16.863 4.824 3.321 1.00 53.13 H new ATOM 0 HA3 GLY A 11 -18.280 5.349 2.433 1.00 53.13 H new ATOM 114 N SER A 12 -15.470 4.166 1.233 1.00 14.33 N ATOM 115 CA SER A 12 -14.911 3.437 0.129 1.00 1.30 C ATOM 116 C SER A 12 -13.993 2.334 0.639 1.00 22.24 C ATOM 117 O SER A 12 -12.863 2.607 1.052 1.00 72.12 O ATOM 118 CB SER A 12 -14.143 4.389 -0.785 1.00 22.03 C ATOM 119 OG SER A 12 -14.977 5.461 -1.217 1.00 30.32 O ATOM 0 H SER A 12 -14.828 4.318 2.011 1.00 14.33 H new ATOM 0 HA SER A 12 -15.719 2.978 -0.441 1.00 1.30 H new ATOM 0 HB2 SER A 12 -13.276 4.787 -0.257 1.00 22.03 H new ATOM 0 HB3 SER A 12 -13.766 3.844 -1.651 1.00 22.03 H new ATOM 0 HG SER A 12 -14.465 6.059 -1.800 1.00 30.32 H new ATOM 125 N ARG A 13 -14.506 1.104 0.661 1.00 64.42 N ATOM 126 CA ARG A 13 -13.731 -0.047 1.102 1.00 51.21 C ATOM 127 C ARG A 13 -12.551 -0.322 0.156 1.00 61.20 C ATOM 128 O ARG A 13 -11.420 -0.036 0.494 1.00 61.13 O ATOM 129 CB ARG A 13 -14.642 -1.262 1.359 1.00 33.43 C ATOM 130 CG ARG A 13 -15.555 -1.659 0.213 1.00 72.11 C ATOM 131 CD ARG A 13 -16.631 -2.584 0.711 1.00 5.15 C ATOM 132 NE ARG A 13 -16.129 -3.873 1.203 1.00 14.21 N ATOM 133 CZ ARG A 13 -16.480 -4.425 2.388 1.00 11.32 C ATOM 134 NH1 ARG A 13 -17.205 -3.730 3.259 1.00 14.01 N ATOM 135 NH2 ARG A 13 -16.081 -5.657 2.707 1.00 33.12 N ATOM 0 H ARG A 13 -15.460 0.882 0.376 1.00 64.42 H new ATOM 0 HA ARG A 13 -13.274 0.180 2.065 1.00 51.21 H new ATOM 0 HB2 ARG A 13 -14.014 -2.116 1.610 1.00 33.43 H new ATOM 0 HB3 ARG A 13 -15.258 -1.051 2.233 1.00 33.43 H new ATOM 0 HG2 ARG A 13 -16.004 -0.770 -0.230 1.00 72.11 H new ATOM 0 HG3 ARG A 13 -14.977 -2.148 -0.571 1.00 72.11 H new ATOM 0 HD2 ARG A 13 -17.179 -2.089 1.513 1.00 5.15 H new ATOM 0 HD3 ARG A 13 -17.341 -2.766 -0.095 1.00 5.15 H new ATOM 0 HE ARG A 13 -15.473 -4.386 0.614 1.00 14.21 H new ATOM 0 HH11 ARG A 13 -17.498 -2.779 3.035 1.00 14.01 H new ATOM 0 HH12 ARG A 13 -17.468 -4.148 4.151 1.00 14.01 H new ATOM 0 HH21 ARG A 13 -15.506 -6.192 2.056 1.00 33.12 H new ATOM 0 HH22 ARG A 13 -16.351 -6.065 3.602 1.00 33.12 H new ATOM 147 N ILE A 14 -12.826 -0.854 -1.014 1.00 53.24 N ATOM 148 CA ILE A 14 -11.837 -0.981 -2.058 1.00 71.41 C ATOM 149 C ILE A 14 -12.461 -0.624 -3.367 1.00 71.43 C ATOM 150 O ILE A 14 -13.357 -1.324 -3.861 1.00 21.15 O ATOM 151 CB ILE A 14 -11.153 -2.384 -2.158 1.00 11.31 C ATOM 152 CG1 ILE A 14 -10.216 -2.614 -0.977 1.00 34.40 C ATOM 153 CG2 ILE A 14 -10.391 -2.543 -3.486 1.00 22.32 C ATOM 154 CD1 ILE A 14 -9.473 -3.915 -1.046 1.00 30.54 C ATOM 0 H ILE A 14 -13.747 -1.212 -1.268 1.00 53.24 H new ATOM 0 HA ILE A 14 -11.033 -0.293 -1.796 1.00 71.41 H new ATOM 0 HB ILE A 14 -11.940 -3.137 -2.129 1.00 11.31 H new ATOM 0 HG12 ILE A 14 -9.497 -1.796 -0.930 1.00 34.40 H new ATOM 0 HG13 ILE A 14 -10.794 -2.584 -0.054 1.00 34.40 H new ATOM 0 HG21 ILE A 14 -9.927 -3.529 -3.524 1.00 22.32 H new ATOM 0 HG22 ILE A 14 -11.086 -2.437 -4.319 1.00 22.32 H new ATOM 0 HG23 ILE A 14 -9.620 -1.776 -3.557 1.00 22.32 H new ATOM 0 HD11 ILE A 14 -8.826 -4.011 -0.174 1.00 30.54 H new ATOM 0 HD12 ILE A 14 -10.185 -4.740 -1.062 1.00 30.54 H new ATOM 0 HD13 ILE A 14 -8.867 -3.941 -1.952 1.00 30.54 H new ATOM 161 N THR A 15 -12.014 0.447 -3.905 1.00 1.04 N ATOM 162 CA THR A 15 -12.469 0.924 -5.159 1.00 22.31 C ATOM 163 C THR A 15 -11.486 0.496 -6.239 1.00 61.31 C ATOM 164 O THR A 15 -10.289 0.754 -6.133 1.00 13.15 O ATOM 165 CB THR A 15 -12.583 2.464 -5.130 1.00 11.42 C ATOM 166 OG1 THR A 15 -13.491 2.868 -4.081 1.00 22.35 O ATOM 167 CG2 THR A 15 -13.075 3.006 -6.469 1.00 51.33 C ATOM 0 H THR A 15 -11.300 1.035 -3.474 1.00 1.04 H new ATOM 0 HA THR A 15 -13.453 0.506 -5.373 1.00 22.31 H new ATOM 0 HB THR A 15 -11.591 2.874 -4.937 1.00 11.42 H new ATOM 0 HG1 THR A 15 -13.559 3.846 -4.065 1.00 22.35 H new ATOM 0 HG21 THR A 15 -13.145 4.093 -6.418 1.00 51.33 H new ATOM 0 HG22 THR A 15 -12.375 2.724 -7.255 1.00 51.33 H new ATOM 0 HG23 THR A 15 -14.057 2.589 -6.692 1.00 51.33 H new ATOM 173 N TYR A 16 -11.974 -0.188 -7.234 1.00 51.23 N ATOM 174 CA TYR A 16 -11.144 -0.579 -8.338 1.00 10.14 C ATOM 175 C TYR A 16 -11.166 0.494 -9.395 1.00 13.15 C ATOM 176 O TYR A 16 -12.235 0.905 -9.851 1.00 0.51 O ATOM 177 CB TYR A 16 -11.589 -1.921 -8.932 1.00 1.41 C ATOM 178 CG TYR A 16 -11.386 -3.112 -8.021 1.00 2.05 C ATOM 179 CD1 TYR A 16 -10.167 -3.765 -7.990 1.00 5.43 C ATOM 180 CD2 TYR A 16 -12.403 -3.590 -7.204 1.00 13.23 C ATOM 181 CE1 TYR A 16 -9.954 -4.849 -7.176 1.00 35.43 C ATOM 182 CE2 TYR A 16 -12.198 -4.685 -6.382 1.00 75.14 C ATOM 183 CZ TYR A 16 -10.968 -5.309 -6.377 1.00 72.34 C ATOM 184 OH TYR A 16 -10.751 -6.399 -5.569 1.00 70.44 O ATOM 0 H TYR A 16 -12.946 -0.488 -7.304 1.00 51.23 H new ATOM 0 HA TYR A 16 -10.126 -0.705 -7.969 1.00 10.14 H new ATOM 0 HB2 TYR A 16 -12.645 -1.856 -9.193 1.00 1.41 H new ATOM 0 HB3 TYR A 16 -11.042 -2.092 -9.859 1.00 1.41 H new ATOM 0 HD1 TYR A 16 -9.364 -3.414 -8.621 1.00 5.43 H new ATOM 0 HD2 TYR A 16 -13.366 -3.101 -7.210 1.00 13.23 H new ATOM 0 HE1 TYR A 16 -8.991 -5.338 -7.165 1.00 35.43 H new ATOM 0 HE2 TYR A 16 -12.995 -5.048 -5.750 1.00 75.14 H new ATOM 0 HH TYR A 16 -11.473 -7.049 -5.696 1.00 70.44 H new ATOM 194 N VAL A 17 -10.017 0.982 -9.745 1.00 11.31 N ATOM 195 CA VAL A 17 -9.908 1.957 -10.789 1.00 45.15 C ATOM 196 C VAL A 17 -8.843 1.519 -11.765 1.00 62.31 C ATOM 197 O VAL A 17 -7.794 1.005 -11.371 1.00 42.15 O ATOM 198 CB VAL A 17 -9.613 3.391 -10.241 1.00 34.33 C ATOM 199 CG1 VAL A 17 -8.302 3.452 -9.495 1.00 24.03 C ATOM 200 CG2 VAL A 17 -9.657 4.438 -11.347 1.00 34.15 C ATOM 0 H VAL A 17 -9.129 0.718 -9.318 1.00 11.31 H new ATOM 0 HA VAL A 17 -10.870 2.020 -11.298 1.00 45.15 H new ATOM 0 HB VAL A 17 -10.407 3.622 -9.531 1.00 34.33 H new ATOM 0 HG11 VAL A 17 -8.137 4.466 -9.132 1.00 24.03 H new ATOM 0 HG12 VAL A 17 -8.332 2.764 -8.650 1.00 24.03 H new ATOM 0 HG13 VAL A 17 -7.489 3.170 -10.164 1.00 24.03 H new ATOM 0 HG21 VAL A 17 -9.447 5.421 -10.926 1.00 34.15 H new ATOM 0 HG22 VAL A 17 -8.909 4.200 -12.103 1.00 34.15 H new ATOM 0 HG23 VAL A 17 -10.646 4.443 -11.804 1.00 34.15 H new ATOM 206 N LYS A 18 -9.117 1.675 -13.006 1.00 41.24 N ATOM 207 CA LYS A 18 -8.186 1.310 -14.022 1.00 60.31 C ATOM 208 C LYS A 18 -7.251 2.473 -14.263 1.00 12.41 C ATOM 209 O LYS A 18 -7.674 3.546 -14.721 1.00 65.32 O ATOM 210 CB LYS A 18 -8.918 0.911 -15.298 1.00 30.41 C ATOM 211 CG LYS A 18 -8.008 0.465 -16.431 1.00 45.12 C ATOM 212 CD LYS A 18 -8.802 -0.018 -17.643 1.00 2.21 C ATOM 213 CE LYS A 18 -9.697 1.067 -18.247 1.00 74.12 C ATOM 214 NZ LYS A 18 -8.930 2.234 -18.743 1.00 3.45 N ATOM 0 H LYS A 18 -9.995 2.060 -13.354 1.00 41.24 H new ATOM 0 HA LYS A 18 -7.604 0.446 -13.701 1.00 60.31 H new ATOM 0 HB2 LYS A 18 -9.612 0.103 -15.067 1.00 30.41 H new ATOM 0 HB3 LYS A 18 -9.515 1.757 -15.639 1.00 30.41 H new ATOM 0 HG2 LYS A 18 -7.363 1.293 -16.726 1.00 45.12 H new ATOM 0 HG3 LYS A 18 -7.358 -0.336 -16.080 1.00 45.12 H new ATOM 0 HD2 LYS A 18 -8.109 -0.374 -18.405 1.00 2.21 H new ATOM 0 HD3 LYS A 18 -9.419 -0.868 -17.350 1.00 2.21 H new ATOM 0 HE2 LYS A 18 -10.273 0.641 -19.068 1.00 74.12 H new ATOM 0 HE3 LYS A 18 -10.413 1.401 -17.496 1.00 74.12 H new ATOM 0 HZ1 LYS A 18 -9.578 2.906 -19.202 1.00 3.45 H new ATOM 0 HZ2 LYS A 18 -8.454 2.701 -17.945 1.00 3.45 H new ATOM 0 HZ3 LYS A 18 -8.219 1.915 -19.431 1.00 3.45 H new ATOM 228 N GLY A 19 -6.013 2.276 -13.938 1.00 34.31 N ATOM 229 CA GLY A 19 -5.028 3.310 -14.069 1.00 72.52 C ATOM 230 C GLY A 19 -3.740 2.928 -13.392 1.00 43.01 C ATOM 231 O GLY A 19 -3.716 1.998 -12.599 1.00 73.31 O ATOM 0 H GLY A 19 -5.653 1.394 -13.574 1.00 34.31 H new ATOM 0 HA2 GLY A 19 -4.842 3.506 -15.125 1.00 72.52 H new ATOM 0 HA3 GLY A 19 -5.409 4.235 -13.635 1.00 72.52 H new ATOM 235 N ASP A 20 -2.686 3.636 -13.715 1.00 4.45 N ATOM 236 CA ASP A 20 -1.349 3.400 -13.173 1.00 11.01 C ATOM 237 C ASP A 20 -1.169 4.153 -11.842 1.00 25.45 C ATOM 238 O ASP A 20 -1.674 5.281 -11.688 1.00 33.24 O ATOM 239 CB ASP A 20 -0.333 3.924 -14.198 1.00 40.25 C ATOM 240 CG ASP A 20 1.110 3.627 -13.862 1.00 22.32 C ATOM 241 OD1 ASP A 20 1.615 2.564 -14.261 1.00 34.24 O ATOM 242 OD2 ASP A 20 1.751 4.464 -13.245 1.00 24.44 O ATOM 0 H ASP A 20 -2.723 4.412 -14.376 1.00 4.45 H new ATOM 0 HA ASP A 20 -1.203 2.336 -12.986 1.00 11.01 H new ATOM 0 HB2 ASP A 20 -0.562 3.491 -15.171 1.00 40.25 H new ATOM 0 HB3 ASP A 20 -0.456 5.003 -14.293 1.00 40.25 H new ATOM 247 N LEU A 21 -0.458 3.546 -10.883 1.00 73.11 N ATOM 248 CA LEU A 21 -0.194 4.198 -9.584 1.00 23.12 C ATOM 249 C LEU A 21 0.747 5.375 -9.728 1.00 40.15 C ATOM 250 O LEU A 21 0.621 6.373 -9.021 1.00 73.24 O ATOM 251 CB LEU A 21 0.408 3.229 -8.561 1.00 42.32 C ATOM 252 CG LEU A 21 -0.506 2.182 -7.938 1.00 22.43 C ATOM 253 CD1 LEU A 21 0.310 1.275 -7.074 1.00 3.20 C ATOM 254 CD2 LEU A 21 -1.566 2.834 -7.080 1.00 51.01 C ATOM 0 H LEU A 21 -0.056 2.613 -10.976 1.00 73.11 H new ATOM 0 HA LEU A 21 -1.165 4.542 -9.228 1.00 23.12 H new ATOM 0 HB2 LEU A 21 1.234 2.706 -9.044 1.00 42.32 H new ATOM 0 HB3 LEU A 21 0.835 3.822 -7.752 1.00 42.32 H new ATOM 0 HG LEU A 21 -0.990 1.625 -8.740 1.00 22.43 H new ATOM 0 HD11 LEU A 21 -0.337 0.522 -6.624 1.00 3.20 H new ATOM 0 HD12 LEU A 21 1.072 0.784 -7.679 1.00 3.20 H new ATOM 0 HD13 LEU A 21 0.791 1.857 -6.288 1.00 3.20 H new ATOM 0 HD21 LEU A 21 -2.206 2.066 -6.646 1.00 51.01 H new ATOM 0 HD22 LEU A 21 -1.089 3.402 -6.282 1.00 51.01 H new ATOM 0 HD23 LEU A 21 -2.168 3.505 -7.693 1.00 51.01 H new ATOM 262 N PHE A 22 1.669 5.270 -10.655 1.00 42.44 N ATOM 263 CA PHE A 22 2.699 6.268 -10.848 1.00 25.23 C ATOM 264 C PHE A 22 2.204 7.492 -11.582 1.00 22.04 C ATOM 265 O PHE A 22 2.958 8.428 -11.835 1.00 43.23 O ATOM 266 CB PHE A 22 3.975 5.668 -11.423 1.00 62.43 C ATOM 267 CG PHE A 22 4.525 4.625 -10.509 1.00 35.31 C ATOM 268 CD1 PHE A 22 5.164 4.988 -9.340 1.00 2.54 C ATOM 269 CD2 PHE A 22 4.381 3.287 -10.796 1.00 52.35 C ATOM 270 CE1 PHE A 22 5.645 4.037 -8.472 1.00 74.20 C ATOM 271 CE2 PHE A 22 4.862 2.332 -9.938 1.00 34.12 C ATOM 272 CZ PHE A 22 5.496 2.706 -8.771 1.00 43.35 C ATOM 0 H PHE A 22 1.728 4.484 -11.303 1.00 42.44 H new ATOM 0 HA PHE A 22 2.972 6.638 -9.860 1.00 25.23 H new ATOM 0 HB2 PHE A 22 3.769 5.231 -12.400 1.00 62.43 H new ATOM 0 HB3 PHE A 22 4.716 6.453 -11.575 1.00 62.43 H new ATOM 0 HD1 PHE A 22 5.288 6.035 -9.104 1.00 2.54 H new ATOM 0 HD2 PHE A 22 3.884 2.986 -11.706 1.00 52.35 H new ATOM 0 HE1 PHE A 22 6.138 4.336 -7.559 1.00 74.20 H new ATOM 0 HE2 PHE A 22 4.744 1.285 -10.176 1.00 34.12 H new ATOM 0 HZ PHE A 22 5.874 1.953 -8.095 1.00 43.35 H new ATOM 282 N ALA A 23 0.927 7.496 -11.917 1.00 23.44 N ATOM 283 CA ALA A 23 0.306 8.685 -12.458 1.00 64.25 C ATOM 284 C ALA A 23 0.087 9.648 -11.277 1.00 33.53 C ATOM 285 O ALA A 23 -0.057 10.850 -11.449 1.00 51.44 O ATOM 286 CB ALA A 23 -1.013 8.324 -13.134 1.00 71.24 C ATOM 0 H ALA A 23 0.305 6.693 -11.824 1.00 23.44 H new ATOM 0 HA ALA A 23 0.933 9.155 -13.216 1.00 64.25 H new ATOM 0 HB1 ALA A 23 -1.473 9.226 -13.538 1.00 71.24 H new ATOM 0 HB2 ALA A 23 -0.826 7.618 -13.943 1.00 71.24 H new ATOM 0 HB3 ALA A 23 -1.684 7.870 -12.404 1.00 71.24 H new ATOM 292 N CYS A 24 0.089 9.039 -10.084 1.00 21.34 N ATOM 293 CA CYS A 24 0.104 9.673 -8.762 1.00 24.52 C ATOM 294 C CYS A 24 -0.786 10.904 -8.555 1.00 35.02 C ATOM 295 O CYS A 24 -0.391 12.034 -8.870 1.00 44.13 O ATOM 296 CB CYS A 24 1.538 9.961 -8.313 1.00 45.31 C ATOM 297 SG CYS A 24 2.583 8.490 -8.171 1.00 14.23 S ATOM 0 H CYS A 24 0.080 8.021 -10.014 1.00 21.34 H new ATOM 0 HA CYS A 24 -0.362 8.921 -8.125 1.00 24.52 H new ATOM 0 HB2 CYS A 24 1.996 10.651 -9.021 1.00 45.31 H new ATOM 0 HB3 CYS A 24 1.510 10.467 -7.348 1.00 45.31 H new ATOM 0 HG CYS A 24 1.857 7.424 -8.337 1.00 14.23 H new ATOM 303 N PRO A 25 -2.004 10.698 -8.041 1.00 70.40 N ATOM 304 CA PRO A 25 -2.845 11.794 -7.560 1.00 10.45 C ATOM 305 C PRO A 25 -2.254 12.305 -6.232 1.00 10.02 C ATOM 306 O PRO A 25 -1.466 11.606 -5.613 1.00 42.05 O ATOM 307 CB PRO A 25 -4.204 11.117 -7.314 1.00 4.40 C ATOM 308 CG PRO A 25 -4.116 9.813 -8.028 1.00 71.40 C ATOM 309 CD PRO A 25 -2.685 9.407 -7.926 1.00 51.30 C ATOM 0 HA PRO A 25 -2.919 12.640 -8.243 1.00 10.45 H new ATOM 0 HB2 PRO A 25 -4.387 10.973 -6.249 1.00 4.40 H new ATOM 0 HB3 PRO A 25 -5.023 11.724 -7.699 1.00 4.40 H new ATOM 0 HG2 PRO A 25 -4.770 9.069 -7.572 1.00 71.40 H new ATOM 0 HG3 PRO A 25 -4.424 9.912 -9.069 1.00 71.40 H new ATOM 0 HD2 PRO A 25 -2.466 8.911 -6.980 1.00 51.30 H new ATOM 0 HD3 PRO A 25 -2.396 8.719 -8.721 1.00 51.30 H new ATOM 317 N LYS A 26 -2.632 13.482 -5.789 1.00 3.23 N ATOM 318 CA LYS A 26 -2.013 14.075 -4.587 1.00 24.15 C ATOM 319 C LYS A 26 -2.521 13.441 -3.284 1.00 24.25 C ATOM 320 O LYS A 26 -1.784 13.330 -2.297 1.00 4.13 O ATOM 321 CB LYS A 26 -2.265 15.589 -4.523 1.00 2.13 C ATOM 322 CG LYS A 26 -3.738 15.961 -4.388 1.00 64.35 C ATOM 323 CD LYS A 26 -3.939 17.434 -4.132 1.00 3.11 C ATOM 324 CE LYS A 26 -5.410 17.739 -3.929 1.00 44.12 C ATOM 325 NZ LYS A 26 -5.646 19.151 -3.598 1.00 73.42 N ATOM 0 H LYS A 26 -3.355 14.055 -6.224 1.00 3.23 H new ATOM 0 HA LYS A 26 -0.945 13.875 -4.676 1.00 24.15 H new ATOM 0 HB2 LYS A 26 -1.716 16.004 -3.678 1.00 2.13 H new ATOM 0 HB3 LYS A 26 -1.863 16.053 -5.424 1.00 2.13 H new ATOM 0 HG2 LYS A 26 -4.266 15.678 -5.299 1.00 64.35 H new ATOM 0 HG3 LYS A 26 -4.181 15.390 -3.572 1.00 64.35 H new ATOM 0 HD2 LYS A 26 -3.373 17.737 -3.251 1.00 3.11 H new ATOM 0 HD3 LYS A 26 -3.554 18.012 -4.972 1.00 3.11 H new ATOM 0 HE2 LYS A 26 -5.960 17.484 -4.835 1.00 44.12 H new ATOM 0 HE3 LYS A 26 -5.802 17.110 -3.130 1.00 44.12 H new ATOM 0 HZ1 LYS A 26 -6.665 19.312 -3.468 1.00 73.42 H new ATOM 0 HZ2 LYS A 26 -5.143 19.390 -2.720 1.00 73.42 H new ATOM 0 HZ3 LYS A 26 -5.296 19.752 -4.371 1.00 73.42 H new ATOM 339 N THR A 27 -3.747 13.034 -3.298 1.00 61.21 N ATOM 340 CA THR A 27 -4.434 12.583 -2.107 1.00 54.05 C ATOM 341 C THR A 27 -4.055 11.128 -1.744 1.00 23.45 C ATOM 342 O THR A 27 -4.075 10.733 -0.568 1.00 43.31 O ATOM 343 CB THR A 27 -5.954 12.689 -2.364 1.00 15.55 C ATOM 344 OG1 THR A 27 -6.233 13.979 -2.953 1.00 1.41 O ATOM 345 CG2 THR A 27 -6.729 12.592 -1.076 1.00 54.12 C ATOM 0 H THR A 27 -4.318 13.000 -4.143 1.00 61.21 H new ATOM 0 HA THR A 27 -4.139 13.209 -1.264 1.00 54.05 H new ATOM 0 HB THR A 27 -6.251 11.873 -3.023 1.00 15.55 H new ATOM 0 HG1 THR A 27 -7.195 14.060 -3.123 1.00 1.41 H new ATOM 0 HG21 THR A 27 -7.796 12.670 -1.286 1.00 54.12 H new ATOM 0 HG22 THR A 27 -6.522 11.634 -0.598 1.00 54.12 H new ATOM 0 HG23 THR A 27 -6.431 13.402 -0.410 1.00 54.12 H new ATOM 351 N ASP A 28 -3.695 10.381 -2.743 1.00 32.21 N ATOM 352 CA ASP A 28 -3.395 8.955 -2.626 1.00 5.00 C ATOM 353 C ASP A 28 -2.007 8.678 -2.029 1.00 55.23 C ATOM 354 O ASP A 28 -0.999 9.063 -2.604 1.00 24.44 O ATOM 355 CB ASP A 28 -3.460 8.326 -4.023 1.00 63.52 C ATOM 356 CG ASP A 28 -4.837 8.394 -4.661 1.00 30.41 C ATOM 357 OD1 ASP A 28 -5.345 9.509 -4.894 1.00 43.23 O ATOM 358 OD2 ASP A 28 -5.419 7.327 -4.936 1.00 53.31 O ATOM 0 H ASP A 28 -3.594 10.739 -3.693 1.00 32.21 H new ATOM 0 HA ASP A 28 -4.132 8.523 -1.949 1.00 5.00 H new ATOM 0 HB2 ASP A 28 -2.744 8.830 -4.672 1.00 63.52 H new ATOM 0 HB3 ASP A 28 -3.151 7.283 -3.957 1.00 63.52 H new ATOM 363 N SER A 29 -1.952 8.033 -0.882 1.00 62.14 N ATOM 364 CA SER A 29 -0.678 7.573 -0.335 1.00 62.41 C ATOM 365 C SER A 29 -0.422 6.158 -0.864 1.00 21.05 C ATOM 366 O SER A 29 -1.313 5.308 -0.825 1.00 71.15 O ATOM 367 CB SER A 29 -0.726 7.564 1.196 1.00 22.12 C ATOM 368 OG SER A 29 -0.958 8.869 1.710 1.00 50.52 O ATOM 0 H SER A 29 -2.766 7.813 -0.308 1.00 62.14 H new ATOM 0 HA SER A 29 0.125 8.243 -0.640 1.00 62.41 H new ATOM 0 HB2 SER A 29 -1.514 6.892 1.534 1.00 22.12 H new ATOM 0 HB3 SER A 29 0.214 7.177 1.590 1.00 22.12 H new ATOM 0 HG SER A 29 -0.828 8.866 2.681 1.00 50.52 H new ATOM 374 N LEU A 30 0.769 5.911 -1.344 1.00 71.51 N ATOM 375 CA LEU A 30 1.090 4.645 -1.986 1.00 13.01 C ATOM 376 C LEU A 30 1.551 3.599 -0.992 1.00 31.23 C ATOM 377 O LEU A 30 2.393 3.861 -0.146 1.00 43.53 O ATOM 378 CB LEU A 30 2.154 4.860 -3.056 1.00 33.13 C ATOM 379 CG LEU A 30 1.753 5.766 -4.222 1.00 51.30 C ATOM 380 CD1 LEU A 30 2.977 6.212 -5.016 1.00 72.12 C ATOM 381 CD2 LEU A 30 0.838 4.990 -5.130 1.00 0.20 C ATOM 0 H LEU A 30 1.545 6.571 -1.306 1.00 71.51 H new ATOM 0 HA LEU A 30 0.176 4.271 -2.448 1.00 13.01 H new ATOM 0 HB2 LEU A 30 3.040 5.282 -2.581 1.00 33.13 H new ATOM 0 HB3 LEU A 30 2.440 3.888 -3.458 1.00 33.13 H new ATOM 0 HG LEU A 30 1.257 6.653 -3.828 1.00 51.30 H new ATOM 0 HD11 LEU A 30 2.663 6.855 -5.838 1.00 72.12 H new ATOM 0 HD12 LEU A 30 3.653 6.763 -4.363 1.00 72.12 H new ATOM 0 HD13 LEU A 30 3.491 5.337 -5.415 1.00 72.12 H new ATOM 0 HD21 LEU A 30 0.540 5.618 -5.969 1.00 0.20 H new ATOM 0 HD22 LEU A 30 1.358 4.108 -5.504 1.00 0.20 H new ATOM 0 HD23 LEU A 30 -0.048 4.680 -4.576 1.00 0.20 H new ATOM 389 N ALA A 31 0.996 2.429 -1.100 1.00 61.25 N ATOM 390 CA ALA A 31 1.354 1.326 -0.253 1.00 12.24 C ATOM 391 C ALA A 31 1.568 0.085 -1.083 1.00 60.34 C ATOM 392 O ALA A 31 1.105 0.007 -2.220 1.00 61.51 O ATOM 393 CB ALA A 31 0.267 1.074 0.766 1.00 42.51 C ATOM 0 H ALA A 31 0.274 2.209 -1.786 1.00 61.25 H new ATOM 0 HA ALA A 31 2.279 1.574 0.268 1.00 12.24 H new ATOM 0 HB1 ALA A 31 0.551 0.235 1.401 1.00 42.51 H new ATOM 0 HB2 ALA A 31 0.130 1.964 1.380 1.00 42.51 H new ATOM 0 HB3 ALA A 31 -0.666 0.840 0.253 1.00 42.51 H new ATOM 399 N HIS A 32 2.292 -0.867 -0.534 1.00 14.40 N ATOM 400 CA HIS A 32 2.520 -2.148 -1.180 1.00 63.32 C ATOM 401 C HIS A 32 3.153 -3.123 -0.222 1.00 71.51 C ATOM 402 O HIS A 32 3.620 -2.737 0.848 1.00 71.03 O ATOM 403 CB HIS A 32 3.335 -2.039 -2.499 1.00 33.11 C ATOM 404 CG HIS A 32 4.686 -1.403 -2.380 1.00 30.30 C ATOM 405 ND1 HIS A 32 5.871 -2.086 -2.599 1.00 72.12 N ATOM 406 CD2 HIS A 32 5.038 -0.118 -2.141 1.00 44.45 C ATOM 407 CE1 HIS A 32 6.875 -1.249 -2.506 1.00 1.13 C ATOM 408 NE2 HIS A 32 6.399 -0.050 -2.226 1.00 64.22 N ATOM 0 H HIS A 32 2.742 -0.777 0.377 1.00 14.40 H new ATOM 0 HA HIS A 32 1.540 -2.527 -1.469 1.00 63.32 H new ATOM 0 HB2 HIS A 32 3.461 -3.041 -2.910 1.00 33.11 H new ATOM 0 HB3 HIS A 32 2.749 -1.470 -3.220 1.00 33.11 H new ATOM 0 HD2 HIS A 32 4.368 0.700 -1.924 1.00 44.45 H new ATOM 0 HE1 HIS A 32 7.918 -1.498 -2.637 1.00 1.13 H new ATOM 0 HE2 HIS A 32 6.959 0.793 -2.094 1.00 64.22 H new ATOM 417 N CYS A 33 3.177 -4.357 -0.615 1.00 34.33 N ATOM 418 CA CYS A 33 3.694 -5.426 0.192 1.00 74.21 C ATOM 419 C CYS A 33 5.110 -5.771 -0.246 1.00 33.32 C ATOM 420 O CYS A 33 5.444 -5.620 -1.427 1.00 71.24 O ATOM 421 CB CYS A 33 2.766 -6.636 0.025 1.00 33.32 C ATOM 422 SG CYS A 33 3.260 -8.117 0.906 1.00 71.43 S ATOM 0 H CYS A 33 2.831 -4.660 -1.525 1.00 34.33 H new ATOM 0 HA CYS A 33 3.732 -5.130 1.240 1.00 74.21 H new ATOM 0 HB2 CYS A 33 1.767 -6.354 0.357 1.00 33.32 H new ATOM 0 HB3 CYS A 33 2.695 -6.873 -1.037 1.00 33.32 H new ATOM 0 HG CYS A 33 2.395 -9.062 0.685 1.00 71.43 H new ATOM 428 N ILE A 34 5.946 -6.147 0.717 1.00 42.33 N ATOM 429 CA ILE A 34 7.308 -6.638 0.481 1.00 34.14 C ATOM 430 C ILE A 34 7.708 -7.596 1.598 1.00 4.51 C ATOM 431 O ILE A 34 6.955 -7.809 2.554 1.00 41.34 O ATOM 432 CB ILE A 34 8.405 -5.530 0.373 1.00 75.15 C ATOM 433 CG1 ILE A 34 8.425 -4.638 1.611 1.00 12.25 C ATOM 434 CG2 ILE A 34 8.294 -4.711 -0.915 1.00 70.34 C ATOM 435 CD1 ILE A 34 9.551 -3.639 1.599 1.00 24.22 C ATOM 0 H ILE A 34 5.694 -6.120 1.705 1.00 42.33 H new ATOM 0 HA ILE A 34 7.266 -7.128 -0.492 1.00 34.14 H new ATOM 0 HB ILE A 34 9.363 -6.047 0.324 1.00 75.15 H new ATOM 0 HG12 ILE A 34 7.476 -4.107 1.684 1.00 12.25 H new ATOM 0 HG13 ILE A 34 8.510 -5.262 2.500 1.00 12.25 H new ATOM 0 HG21 ILE A 34 9.081 -3.957 -0.936 1.00 70.34 H new ATOM 0 HG22 ILE A 34 8.401 -5.371 -1.776 1.00 70.34 H new ATOM 0 HG23 ILE A 34 7.321 -4.221 -0.952 1.00 70.34 H new ATOM 0 HD11 ILE A 34 9.511 -3.035 2.505 1.00 24.22 H new ATOM 0 HD12 ILE A 34 10.504 -4.166 1.556 1.00 24.22 H new ATOM 0 HD13 ILE A 34 9.454 -2.992 0.727 1.00 24.22 H new ATOM 442 N SER A 35 8.853 -8.193 1.463 1.00 24.33 N ATOM 443 CA SER A 35 9.401 -9.014 2.502 1.00 52.01 C ATOM 444 C SER A 35 10.379 -8.159 3.348 1.00 51.50 C ATOM 445 O SER A 35 10.812 -7.088 2.904 1.00 33.05 O ATOM 446 CB SER A 35 10.099 -10.227 1.874 1.00 14.04 C ATOM 447 OG SER A 35 11.031 -9.825 0.873 1.00 1.54 O ATOM 0 H SER A 35 9.435 -8.125 0.628 1.00 24.33 H new ATOM 0 HA SER A 35 8.615 -9.387 3.159 1.00 52.01 H new ATOM 0 HB2 SER A 35 10.615 -10.794 2.649 1.00 14.04 H new ATOM 0 HB3 SER A 35 9.354 -10.891 1.435 1.00 14.04 H new ATOM 0 HG SER A 35 11.462 -10.617 0.491 1.00 1.54 H new ATOM 453 N GLU A 36 10.727 -8.636 4.533 1.00 73.02 N ATOM 454 CA GLU A 36 11.595 -7.912 5.480 1.00 63.12 C ATOM 455 C GLU A 36 13.003 -7.725 4.900 1.00 20.32 C ATOM 456 O GLU A 36 13.684 -6.738 5.189 1.00 44.14 O ATOM 457 CB GLU A 36 11.668 -8.717 6.780 1.00 73.11 C ATOM 458 CG GLU A 36 12.353 -8.046 7.960 1.00 34.44 C ATOM 459 CD GLU A 36 12.365 -8.933 9.192 1.00 54.13 C ATOM 460 OE1 GLU A 36 11.407 -8.895 9.979 1.00 42.23 O ATOM 461 OE2 GLU A 36 13.328 -9.673 9.394 1.00 61.41 O ATOM 0 H GLU A 36 10.418 -9.545 4.878 1.00 73.02 H new ATOM 0 HA GLU A 36 11.178 -6.923 5.669 1.00 63.12 H new ATOM 0 HB2 GLU A 36 10.652 -8.975 7.078 1.00 73.11 H new ATOM 0 HB3 GLU A 36 12.187 -9.653 6.572 1.00 73.11 H new ATOM 0 HG2 GLU A 36 13.377 -7.791 7.687 1.00 34.44 H new ATOM 0 HG3 GLU A 36 11.843 -7.111 8.192 1.00 34.44 H new ATOM 468 N ASP A 37 13.406 -8.662 4.058 1.00 32.25 N ATOM 469 CA ASP A 37 14.742 -8.662 3.434 1.00 64.32 C ATOM 470 C ASP A 37 14.840 -7.557 2.395 1.00 34.12 C ATOM 471 O ASP A 37 15.933 -7.151 2.002 1.00 63.13 O ATOM 472 CB ASP A 37 15.003 -10.024 2.768 1.00 62.01 C ATOM 473 CG ASP A 37 16.417 -10.191 2.250 1.00 11.41 C ATOM 474 OD1 ASP A 37 17.295 -10.566 3.040 1.00 44.34 O ATOM 475 OD2 ASP A 37 16.657 -9.981 1.041 1.00 25.14 O ATOM 0 H ASP A 37 12.823 -9.451 3.780 1.00 32.25 H new ATOM 0 HA ASP A 37 15.491 -8.486 4.206 1.00 64.32 H new ATOM 0 HB2 ASP A 37 14.794 -10.816 3.487 1.00 62.01 H new ATOM 0 HB3 ASP A 37 14.305 -10.153 1.940 1.00 62.01 H new ATOM 480 N CYS A 38 13.675 -7.066 1.983 1.00 23.05 N ATOM 481 CA CYS A 38 13.545 -6.010 0.999 1.00 60.02 C ATOM 482 C CYS A 38 14.074 -6.455 -0.367 1.00 43.13 C ATOM 483 O CYS A 38 15.241 -6.237 -0.718 1.00 34.41 O ATOM 484 CB CYS A 38 14.214 -4.708 1.483 1.00 53.41 C ATOM 485 SG CYS A 38 13.617 -4.148 3.100 1.00 73.44 S ATOM 0 H CYS A 38 12.779 -7.402 2.335 1.00 23.05 H new ATOM 0 HA CYS A 38 12.483 -5.796 0.876 1.00 60.02 H new ATOM 0 HB2 CYS A 38 15.292 -4.860 1.535 1.00 53.41 H new ATOM 0 HB3 CYS A 38 14.038 -3.923 0.748 1.00 53.41 H new ATOM 0 HG CYS A 38 13.631 -5.143 3.936 1.00 73.44 H new ATOM 491 N ARG A 39 13.230 -7.147 -1.103 1.00 63.25 N ATOM 492 CA ARG A 39 13.578 -7.629 -2.405 1.00 12.20 C ATOM 493 C ARG A 39 12.658 -7.042 -3.450 1.00 12.02 C ATOM 494 O ARG A 39 11.563 -7.541 -3.688 1.00 72.23 O ATOM 495 CB ARG A 39 13.596 -9.159 -2.442 1.00 13.33 C ATOM 496 CG ARG A 39 14.662 -9.755 -1.537 1.00 1.03 C ATOM 497 CD ARG A 39 14.705 -11.270 -1.587 1.00 14.41 C ATOM 498 NE ARG A 39 15.762 -11.788 -0.708 1.00 23.31 N ATOM 499 CZ ARG A 39 16.188 -13.056 -0.653 1.00 13.44 C ATOM 500 NH1 ARG A 39 15.614 -13.994 -1.393 1.00 64.53 N ATOM 501 NH2 ARG A 39 17.192 -13.373 0.150 1.00 74.33 N ATOM 0 H ARG A 39 12.284 -7.387 -0.807 1.00 63.25 H new ATOM 0 HA ARG A 39 14.590 -7.298 -2.639 1.00 12.20 H new ATOM 0 HB2 ARG A 39 12.618 -9.537 -2.143 1.00 13.33 H new ATOM 0 HB3 ARG A 39 13.767 -9.492 -3.466 1.00 13.33 H new ATOM 0 HG2 ARG A 39 15.636 -9.360 -1.824 1.00 1.03 H new ATOM 0 HG3 ARG A 39 14.479 -9.436 -0.511 1.00 1.03 H new ATOM 0 HD2 ARG A 39 13.740 -11.677 -1.283 1.00 14.41 H new ATOM 0 HD3 ARG A 39 14.882 -11.600 -2.611 1.00 14.41 H new ATOM 0 HE ARG A 39 16.213 -11.120 -0.082 1.00 23.31 H new ATOM 0 HH11 ARG A 39 14.840 -13.753 -2.012 1.00 64.53 H new ATOM 0 HH12 ARG A 39 15.946 -14.957 -1.344 1.00 64.53 H new ATOM 0 HH21 ARG A 39 17.635 -12.653 0.721 1.00 74.33 H new ATOM 0 HH22 ARG A 39 17.522 -14.337 0.198 1.00 74.33 H new ATOM 513 N MET A 40 13.089 -5.931 -4.008 1.00 33.32 N ATOM 514 CA MET A 40 12.328 -5.214 -5.021 1.00 31.23 C ATOM 515 C MET A 40 12.760 -5.602 -6.419 1.00 40.13 C ATOM 516 O MET A 40 12.399 -4.939 -7.360 1.00 72.24 O ATOM 517 CB MET A 40 12.492 -3.695 -4.891 1.00 52.04 C ATOM 518 CG MET A 40 12.040 -3.057 -3.587 1.00 64.22 C ATOM 519 SD MET A 40 13.076 -3.437 -2.177 1.00 61.43 S ATOM 520 CE MET A 40 12.348 -2.325 -0.993 1.00 74.25 C ATOM 0 H MET A 40 13.980 -5.494 -3.774 1.00 33.32 H new ATOM 0 HA MET A 40 11.286 -5.489 -4.858 1.00 31.23 H new ATOM 0 HB2 MET A 40 13.545 -3.455 -5.037 1.00 52.04 H new ATOM 0 HB3 MET A 40 11.942 -3.225 -5.706 1.00 52.04 H new ATOM 0 HG2 MET A 40 12.009 -1.975 -3.718 1.00 64.22 H new ATOM 0 HG3 MET A 40 11.022 -3.382 -3.372 1.00 64.22 H new ATOM 0 HE1 MET A 40 13.078 -1.567 -0.709 1.00 74.25 H new ATOM 0 HE2 MET A 40 11.477 -1.842 -1.435 1.00 74.25 H new ATOM 0 HE3 MET A 40 12.043 -2.884 -0.109 1.00 74.25 H new ATOM 530 N GLY A 41 13.514 -6.684 -6.547 1.00 71.25 N ATOM 531 CA GLY A 41 14.096 -7.077 -7.848 1.00 43.03 C ATOM 532 C GLY A 41 13.084 -7.309 -8.986 1.00 75.00 C ATOM 533 O GLY A 41 13.476 -7.406 -10.161 1.00 34.00 O ATOM 0 H GLY A 41 13.744 -7.312 -5.776 1.00 71.25 H new ATOM 0 HA2 GLY A 41 14.797 -6.303 -8.161 1.00 43.03 H new ATOM 0 HA3 GLY A 41 14.673 -7.991 -7.707 1.00 43.03 H new ATOM 537 N ALA A 42 11.818 -7.380 -8.652 1.00 52.14 N ATOM 538 CA ALA A 42 10.762 -7.603 -9.601 1.00 44.43 C ATOM 539 C ALA A 42 9.467 -7.083 -9.018 1.00 60.25 C ATOM 540 O ALA A 42 9.423 -6.672 -7.846 1.00 1.12 O ATOM 541 CB ALA A 42 10.645 -9.085 -9.952 1.00 61.31 C ATOM 0 H ALA A 42 11.490 -7.282 -7.691 1.00 52.14 H new ATOM 0 HA ALA A 42 10.986 -7.070 -10.525 1.00 44.43 H new ATOM 0 HB1 ALA A 42 9.839 -9.226 -10.672 1.00 61.31 H new ATOM 0 HB2 ALA A 42 11.583 -9.431 -10.386 1.00 61.31 H new ATOM 0 HB3 ALA A 42 10.430 -9.657 -9.049 1.00 61.31 H new ATOM 547 N GLY A 43 8.422 -7.101 -9.812 1.00 53.22 N ATOM 548 CA GLY A 43 7.148 -6.601 -9.375 1.00 22.51 C ATOM 549 C GLY A 43 7.119 -5.094 -9.394 1.00 33.43 C ATOM 550 O GLY A 43 8.062 -4.456 -9.852 1.00 41.31 O ATOM 0 H GLY A 43 8.434 -7.459 -10.767 1.00 53.22 H new ATOM 0 HA2 GLY A 43 6.361 -6.991 -10.020 1.00 22.51 H new ATOM 0 HA3 GLY A 43 6.940 -6.959 -8.367 1.00 22.51 H new ATOM 554 N ILE A 44 6.059 -4.517 -8.894 1.00 22.22 N ATOM 555 CA ILE A 44 5.939 -3.067 -8.855 1.00 13.14 C ATOM 556 C ILE A 44 6.904 -2.460 -7.803 1.00 72.34 C ATOM 557 O ILE A 44 7.217 -1.269 -7.827 1.00 55.34 O ATOM 558 CB ILE A 44 4.476 -2.616 -8.590 1.00 21.45 C ATOM 559 CG1 ILE A 44 4.357 -1.093 -8.683 1.00 0.01 C ATOM 560 CG2 ILE A 44 4.002 -3.115 -7.237 1.00 63.11 C ATOM 561 CD1 ILE A 44 2.973 -0.559 -8.446 1.00 14.34 C ATOM 0 H ILE A 44 5.261 -5.020 -8.506 1.00 22.22 H new ATOM 0 HA ILE A 44 6.223 -2.691 -9.838 1.00 13.14 H new ATOM 0 HB ILE A 44 3.836 -3.053 -9.356 1.00 21.45 H new ATOM 0 HG12 ILE A 44 5.035 -0.644 -7.957 1.00 0.01 H new ATOM 0 HG13 ILE A 44 4.691 -0.775 -9.671 1.00 0.01 H new ATOM 0 HG21 ILE A 44 2.975 -2.790 -7.068 1.00 63.11 H new ATOM 0 HG22 ILE A 44 4.046 -4.204 -7.215 1.00 63.11 H new ATOM 0 HG23 ILE A 44 4.644 -2.710 -6.455 1.00 63.11 H new ATOM 0 HD11 ILE A 44 2.983 0.528 -8.531 1.00 14.34 H new ATOM 0 HD12 ILE A 44 2.291 -0.975 -9.187 1.00 14.34 H new ATOM 0 HD13 ILE A 44 2.640 -0.842 -7.447 1.00 14.34 H new ATOM 568 N ALA A 45 7.375 -3.308 -6.886 1.00 22.15 N ATOM 569 CA ALA A 45 8.263 -2.887 -5.808 1.00 74.23 C ATOM 570 C ALA A 45 9.514 -2.160 -6.334 1.00 61.11 C ATOM 571 O ALA A 45 9.955 -1.175 -5.734 1.00 13.23 O ATOM 572 CB ALA A 45 8.635 -4.073 -4.925 1.00 20.02 C ATOM 0 H ALA A 45 7.150 -4.303 -6.872 1.00 22.15 H new ATOM 0 HA ALA A 45 7.719 -2.165 -5.199 1.00 74.23 H new ATOM 0 HB1 ALA A 45 9.298 -3.739 -4.127 1.00 20.02 H new ATOM 0 HB2 ALA A 45 7.731 -4.501 -4.491 1.00 20.02 H new ATOM 0 HB3 ALA A 45 9.142 -4.828 -5.525 1.00 20.02 H new ATOM 578 N VAL A 46 10.054 -2.623 -7.468 1.00 61.32 N ATOM 579 CA VAL A 46 11.235 -1.993 -8.087 1.00 41.11 C ATOM 580 C VAL A 46 10.918 -0.572 -8.565 1.00 72.33 C ATOM 581 O VAL A 46 11.765 0.320 -8.513 1.00 13.11 O ATOM 582 CB VAL A 46 11.836 -2.854 -9.258 1.00 30.44 C ATOM 583 CG1 VAL A 46 10.835 -3.111 -10.363 1.00 45.32 C ATOM 584 CG2 VAL A 46 13.116 -2.233 -9.807 1.00 61.22 C ATOM 0 H VAL A 46 9.695 -3.430 -7.978 1.00 61.32 H new ATOM 0 HA VAL A 46 11.998 -1.935 -7.311 1.00 41.11 H new ATOM 0 HB VAL A 46 12.089 -3.824 -8.830 1.00 30.44 H new ATOM 0 HG11 VAL A 46 11.302 -3.709 -11.145 1.00 45.32 H new ATOM 0 HG12 VAL A 46 9.977 -3.648 -9.959 1.00 45.32 H new ATOM 0 HG13 VAL A 46 10.504 -2.161 -10.782 1.00 45.32 H new ATOM 0 HG21 VAL A 46 13.504 -2.854 -10.615 1.00 61.22 H new ATOM 0 HG22 VAL A 46 12.902 -1.234 -10.188 1.00 61.22 H new ATOM 0 HG23 VAL A 46 13.858 -2.166 -9.012 1.00 61.22 H new ATOM 590 N LEU A 47 9.690 -0.361 -8.983 1.00 72.32 N ATOM 591 CA LEU A 47 9.253 0.933 -9.459 1.00 53.11 C ATOM 592 C LEU A 47 9.216 1.948 -8.312 1.00 73.22 C ATOM 593 O LEU A 47 9.607 3.102 -8.488 1.00 12.33 O ATOM 594 CB LEU A 47 7.902 0.812 -10.165 1.00 33.12 C ATOM 595 CG LEU A 47 7.893 0.001 -11.472 1.00 74.11 C ATOM 596 CD1 LEU A 47 6.473 -0.189 -11.978 1.00 14.40 C ATOM 597 CD2 LEU A 47 8.716 0.715 -12.531 1.00 4.41 C ATOM 0 H LEU A 47 8.967 -1.080 -9.003 1.00 72.32 H new ATOM 0 HA LEU A 47 9.972 1.303 -10.190 1.00 53.11 H new ATOM 0 HB2 LEU A 47 7.193 0.357 -9.474 1.00 33.12 H new ATOM 0 HB3 LEU A 47 7.537 1.816 -10.381 1.00 33.12 H new ATOM 0 HG LEU A 47 8.327 -0.978 -11.270 1.00 74.11 H new ATOM 0 HD11 LEU A 47 6.490 -0.765 -12.903 1.00 14.40 H new ATOM 0 HD12 LEU A 47 5.888 -0.723 -11.229 1.00 14.40 H new ATOM 0 HD13 LEU A 47 6.020 0.785 -12.165 1.00 14.40 H new ATOM 0 HD21 LEU A 47 8.705 0.134 -13.453 1.00 4.41 H new ATOM 0 HD22 LEU A 47 8.291 1.701 -12.718 1.00 4.41 H new ATOM 0 HD23 LEU A 47 9.743 0.822 -12.182 1.00 4.41 H new ATOM 605 N PHE A 48 8.778 1.506 -7.137 1.00 22.34 N ATOM 606 CA PHE A 48 8.798 2.365 -5.944 1.00 71.14 C ATOM 607 C PHE A 48 10.230 2.569 -5.463 1.00 53.25 C ATOM 608 O PHE A 48 10.608 3.661 -5.030 1.00 73.14 O ATOM 609 CB PHE A 48 7.962 1.779 -4.803 1.00 25.04 C ATOM 610 CG PHE A 48 6.473 1.792 -5.006 1.00 34.44 C ATOM 611 CD1 PHE A 48 5.728 2.908 -4.664 1.00 22.23 C ATOM 612 CD2 PHE A 48 5.810 0.690 -5.500 1.00 73.34 C ATOM 613 CE1 PHE A 48 4.381 2.923 -4.813 1.00 10.42 C ATOM 614 CE2 PHE A 48 4.439 0.707 -5.642 1.00 12.24 C ATOM 615 CZ PHE A 48 3.728 1.835 -5.296 1.00 4.14 C ATOM 0 H PHE A 48 8.407 0.569 -6.980 1.00 22.34 H new ATOM 0 HA PHE A 48 8.362 3.322 -6.230 1.00 71.14 H new ATOM 0 HB2 PHE A 48 8.278 0.749 -4.639 1.00 25.04 H new ATOM 0 HB3 PHE A 48 8.190 2.331 -3.891 1.00 25.04 H new ATOM 0 HD1 PHE A 48 6.229 3.781 -4.272 1.00 22.23 H new ATOM 0 HD2 PHE A 48 6.368 -0.192 -5.778 1.00 73.34 H new ATOM 0 HE1 PHE A 48 3.822 3.808 -4.545 1.00 10.42 H new ATOM 0 HE2 PHE A 48 3.924 -0.162 -6.024 1.00 12.24 H new ATOM 0 HZ PHE A 48 2.654 1.854 -5.409 1.00 4.14 H new ATOM 625 N LYS A 49 11.011 1.503 -5.537 1.00 33.01 N ATOM 626 CA LYS A 49 12.415 1.500 -5.173 1.00 32.12 C ATOM 627 C LYS A 49 13.156 2.569 -5.991 1.00 41.12 C ATOM 628 O LYS A 49 13.860 3.409 -5.437 1.00 33.42 O ATOM 629 CB LYS A 49 12.950 0.075 -5.464 1.00 22.45 C ATOM 630 CG LYS A 49 14.375 -0.292 -5.023 1.00 33.23 C ATOM 631 CD LYS A 49 15.468 0.379 -5.833 1.00 73.32 C ATOM 632 CE LYS A 49 16.826 -0.174 -5.442 1.00 23.51 C ATOM 633 NZ LYS A 49 17.921 0.456 -6.190 1.00 62.14 N ATOM 0 H LYS A 49 10.676 0.595 -5.860 1.00 33.01 H new ATOM 0 HA LYS A 49 12.567 1.740 -4.121 1.00 32.12 H new ATOM 0 HB2 LYS A 49 12.268 -0.634 -4.995 1.00 22.45 H new ATOM 0 HB3 LYS A 49 12.887 -0.086 -6.540 1.00 22.45 H new ATOM 0 HG2 LYS A 49 14.499 -0.024 -3.974 1.00 33.23 H new ATOM 0 HG3 LYS A 49 14.498 -1.373 -5.093 1.00 33.23 H new ATOM 0 HD2 LYS A 49 15.294 0.217 -6.897 1.00 73.32 H new ATOM 0 HD3 LYS A 49 15.444 1.456 -5.667 1.00 73.32 H new ATOM 0 HE2 LYS A 49 16.984 -0.022 -4.374 1.00 23.51 H new ATOM 0 HE3 LYS A 49 16.842 -1.250 -5.617 1.00 23.51 H new ATOM 0 HZ1 LYS A 49 18.828 0.046 -5.889 1.00 62.14 H new ATOM 0 HZ2 LYS A 49 17.787 0.290 -7.208 1.00 62.14 H new ATOM 0 HZ3 LYS A 49 17.925 1.479 -6.004 1.00 62.14 H new ATOM 647 N LYS A 50 12.963 2.536 -7.290 1.00 33.24 N ATOM 648 CA LYS A 50 13.570 3.453 -8.195 1.00 2.45 C ATOM 649 C LYS A 50 13.062 4.901 -8.003 1.00 73.32 C ATOM 650 O LYS A 50 13.820 5.857 -8.175 1.00 60.20 O ATOM 651 CB LYS A 50 13.295 2.977 -9.629 1.00 45.23 C ATOM 652 CG LYS A 50 13.908 3.845 -10.684 1.00 55.30 C ATOM 653 CD LYS A 50 15.400 3.877 -10.520 1.00 23.32 C ATOM 654 CE LYS A 50 16.044 4.854 -11.482 1.00 20.31 C ATOM 655 NZ LYS A 50 15.558 6.245 -11.269 1.00 71.14 N ATOM 0 H LYS A 50 12.363 1.849 -7.746 1.00 33.24 H new ATOM 0 HA LYS A 50 14.641 3.473 -7.995 1.00 2.45 H new ATOM 0 HB2 LYS A 50 13.673 1.961 -9.743 1.00 45.23 H new ATOM 0 HB3 LYS A 50 12.217 2.936 -9.787 1.00 45.23 H new ATOM 0 HG2 LYS A 50 13.651 3.466 -11.673 1.00 55.30 H new ATOM 0 HG3 LYS A 50 13.505 4.855 -10.615 1.00 55.30 H new ATOM 0 HD2 LYS A 50 15.649 4.156 -9.496 1.00 23.32 H new ATOM 0 HD3 LYS A 50 15.807 2.880 -10.686 1.00 23.32 H new ATOM 0 HE2 LYS A 50 17.127 4.825 -11.359 1.00 20.31 H new ATOM 0 HE3 LYS A 50 15.832 4.548 -12.506 1.00 20.31 H new ATOM 0 HZ1 LYS A 50 16.200 6.913 -11.742 1.00 71.14 H new ATOM 0 HZ2 LYS A 50 14.602 6.343 -11.666 1.00 71.14 H new ATOM 0 HZ3 LYS A 50 15.532 6.452 -10.250 1.00 71.14 H new ATOM 669 N LYS A 51 11.807 5.047 -7.640 1.00 32.50 N ATOM 670 CA LYS A 51 11.182 6.349 -7.534 1.00 54.33 C ATOM 671 C LYS A 51 11.472 7.047 -6.197 1.00 51.13 C ATOM 672 O LYS A 51 11.768 8.240 -6.168 1.00 12.43 O ATOM 673 CB LYS A 51 9.676 6.193 -7.735 1.00 25.11 C ATOM 674 CG LYS A 51 8.895 7.484 -7.730 1.00 70.40 C ATOM 675 CD LYS A 51 7.416 7.215 -7.939 1.00 25.02 C ATOM 676 CE LYS A 51 6.603 8.494 -7.998 1.00 43.14 C ATOM 677 NZ LYS A 51 7.015 9.363 -9.118 1.00 11.41 N ATOM 0 H LYS A 51 11.190 4.268 -7.410 1.00 32.50 H new ATOM 0 HA LYS A 51 11.608 6.986 -8.309 1.00 54.33 H new ATOM 0 HB2 LYS A 51 9.502 5.684 -8.683 1.00 25.11 H new ATOM 0 HB3 LYS A 51 9.285 5.546 -6.950 1.00 25.11 H new ATOM 0 HG2 LYS A 51 9.045 8.003 -6.783 1.00 70.40 H new ATOM 0 HG3 LYS A 51 9.265 8.142 -8.516 1.00 70.40 H new ATOM 0 HD2 LYS A 51 7.278 6.656 -8.864 1.00 25.02 H new ATOM 0 HD3 LYS A 51 7.045 6.588 -7.129 1.00 25.02 H new ATOM 0 HE2 LYS A 51 5.546 8.247 -8.101 1.00 43.14 H new ATOM 0 HE3 LYS A 51 6.713 9.037 -7.059 1.00 43.14 H new ATOM 0 HZ1 LYS A 51 6.296 10.099 -9.269 1.00 11.41 H new ATOM 0 HZ2 LYS A 51 7.926 9.811 -8.893 1.00 11.41 H new ATOM 0 HZ3 LYS A 51 7.114 8.793 -9.982 1.00 11.41 H new ATOM 691 N PHE A 52 11.386 6.317 -5.105 1.00 54.12 N ATOM 692 CA PHE A 52 11.534 6.936 -3.793 1.00 1.41 C ATOM 693 C PHE A 52 12.859 6.610 -3.108 1.00 41.40 C ATOM 694 O PHE A 52 13.241 7.287 -2.148 1.00 3.11 O ATOM 695 CB PHE A 52 10.361 6.553 -2.873 1.00 41.12 C ATOM 696 CG PHE A 52 9.010 6.998 -3.379 1.00 3.15 C ATOM 697 CD1 PHE A 52 8.613 8.317 -3.250 1.00 33.11 C ATOM 698 CD2 PHE A 52 8.142 6.098 -3.983 1.00 74.32 C ATOM 699 CE1 PHE A 52 7.381 8.733 -3.711 1.00 34.31 C ATOM 700 CE2 PHE A 52 6.910 6.510 -4.446 1.00 15.12 C ATOM 701 CZ PHE A 52 6.530 7.830 -4.309 1.00 65.44 C ATOM 0 H PHE A 52 11.217 5.311 -5.092 1.00 54.12 H new ATOM 0 HA PHE A 52 11.529 8.011 -3.971 1.00 1.41 H new ATOM 0 HB2 PHE A 52 10.351 5.470 -2.746 1.00 41.12 H new ATOM 0 HB3 PHE A 52 10.529 6.988 -1.888 1.00 41.12 H new ATOM 0 HD1 PHE A 52 9.276 9.030 -2.783 1.00 33.11 H new ATOM 0 HD2 PHE A 52 8.435 5.064 -4.091 1.00 74.32 H new ATOM 0 HE1 PHE A 52 7.084 9.766 -3.603 1.00 34.31 H new ATOM 0 HE2 PHE A 52 6.244 5.801 -4.915 1.00 15.12 H new ATOM 0 HZ PHE A 52 5.566 8.155 -4.671 1.00 65.44 H new ATOM 711 N GLY A 53 13.561 5.587 -3.584 1.00 4.00 N ATOM 712 CA GLY A 53 14.798 5.174 -2.925 1.00 31.41 C ATOM 713 C GLY A 53 14.503 4.639 -1.538 1.00 10.53 C ATOM 714 O GLY A 53 15.257 4.861 -0.580 1.00 12.21 O ATOM 0 H GLY A 53 13.304 5.038 -4.405 1.00 4.00 H new ATOM 0 HA2 GLY A 53 15.296 4.408 -3.519 1.00 31.41 H new ATOM 0 HA3 GLY A 53 15.482 6.020 -2.858 1.00 31.41 H new ATOM 718 N GLY A 54 13.395 3.928 -1.449 1.00 40.00 N ATOM 719 CA GLY A 54 12.894 3.429 -0.192 1.00 5.20 C ATOM 720 C GLY A 54 13.753 2.374 0.461 1.00 3.23 C ATOM 721 O GLY A 54 13.742 2.257 1.678 1.00 41.11 O ATOM 0 H GLY A 54 12.818 3.682 -2.253 1.00 40.00 H new ATOM 0 HA2 GLY A 54 12.786 4.266 0.497 1.00 5.20 H new ATOM 0 HA3 GLY A 54 11.898 3.017 -0.352 1.00 5.20 H new ATOM 725 N VAL A 55 14.504 1.625 -0.345 1.00 61.51 N ATOM 726 CA VAL A 55 15.299 0.489 0.144 1.00 20.30 C ATOM 727 C VAL A 55 16.195 0.851 1.355 1.00 73.03 C ATOM 728 O VAL A 55 16.149 0.168 2.378 1.00 4.14 O ATOM 729 CB VAL A 55 16.126 -0.188 -0.997 1.00 5.24 C ATOM 730 CG1 VAL A 55 17.126 0.771 -1.628 1.00 70.43 C ATOM 731 CG2 VAL A 55 16.804 -1.463 -0.510 1.00 74.13 C ATOM 0 H VAL A 55 14.582 1.783 -1.350 1.00 61.51 H new ATOM 0 HA VAL A 55 14.575 -0.243 0.503 1.00 20.30 H new ATOM 0 HB VAL A 55 15.420 -0.467 -1.779 1.00 5.24 H new ATOM 0 HG11 VAL A 55 17.677 0.256 -2.415 1.00 70.43 H new ATOM 0 HG12 VAL A 55 16.595 1.622 -2.054 1.00 70.43 H new ATOM 0 HG13 VAL A 55 17.823 1.122 -0.867 1.00 70.43 H new ATOM 0 HG21 VAL A 55 17.371 -1.909 -1.327 1.00 74.13 H new ATOM 0 HG22 VAL A 55 17.479 -1.225 0.312 1.00 74.13 H new ATOM 0 HG23 VAL A 55 16.048 -2.168 -0.166 1.00 74.13 H new ATOM 737 N GLN A 56 16.966 1.942 1.256 1.00 61.51 N ATOM 738 CA GLN A 56 17.810 2.350 2.359 1.00 20.14 C ATOM 739 C GLN A 56 17.010 2.724 3.557 1.00 3.21 C ATOM 740 O GLN A 56 17.311 2.304 4.646 1.00 34.45 O ATOM 741 CB GLN A 56 18.740 3.479 1.995 1.00 51.43 C ATOM 742 CG GLN A 56 19.506 3.986 3.202 1.00 71.10 C ATOM 743 CD GLN A 56 20.695 4.758 2.819 1.00 35.34 C ATOM 744 OE1 GLN A 56 20.653 5.984 2.640 1.00 32.45 O ATOM 745 NE2 GLN A 56 21.765 4.051 2.674 1.00 51.00 N ATOM 0 H GLN A 56 17.015 2.542 0.433 1.00 61.51 H new ATOM 0 HA GLN A 56 18.420 1.479 2.600 1.00 20.14 H new ATOM 0 HB2 GLN A 56 19.443 3.140 1.234 1.00 51.43 H new ATOM 0 HB3 GLN A 56 18.166 4.297 1.558 1.00 51.43 H new ATOM 0 HG2 GLN A 56 18.851 4.609 3.811 1.00 71.10 H new ATOM 0 HG3 GLN A 56 19.807 3.141 3.821 1.00 71.10 H new ATOM 0 HE21 GLN A 56 21.737 3.044 2.836 1.00 51.00 H new ATOM 0 HE22 GLN A 56 22.639 4.499 2.398 1.00 51.00 H new ATOM 753 N GLU A 57 15.972 3.489 3.346 1.00 34.51 N ATOM 754 CA GLU A 57 15.138 3.939 4.423 1.00 12.35 C ATOM 755 C GLU A 57 14.489 2.791 5.167 1.00 35.41 C ATOM 756 O GLU A 57 14.302 2.856 6.367 1.00 4.13 O ATOM 757 CB GLU A 57 14.131 4.964 3.956 1.00 43.13 C ATOM 758 CG GLU A 57 14.771 6.264 3.519 1.00 15.43 C ATOM 759 CD GLU A 57 15.575 6.891 4.640 1.00 73.44 C ATOM 760 OE1 GLU A 57 14.987 7.592 5.481 1.00 33.53 O ATOM 761 OE2 GLU A 57 16.809 6.687 4.696 1.00 73.34 O ATOM 0 H GLU A 57 15.683 3.816 2.424 1.00 34.51 H new ATOM 0 HA GLU A 57 15.788 4.437 5.142 1.00 12.35 H new ATOM 0 HB2 GLU A 57 13.558 4.550 3.126 1.00 43.13 H new ATOM 0 HB3 GLU A 57 13.425 5.166 4.762 1.00 43.13 H new ATOM 0 HG2 GLU A 57 15.420 6.082 2.662 1.00 15.43 H new ATOM 0 HG3 GLU A 57 13.998 6.959 3.191 1.00 15.43 H new ATOM 768 N LEU A 58 14.168 1.738 4.464 1.00 42.44 N ATOM 769 CA LEU A 58 13.592 0.564 5.084 1.00 74.42 C ATOM 770 C LEU A 58 14.627 -0.153 5.952 1.00 53.10 C ATOM 771 O LEU A 58 14.299 -0.689 7.020 1.00 70.20 O ATOM 772 CB LEU A 58 13.027 -0.359 4.029 1.00 45.32 C ATOM 773 CG LEU A 58 11.934 0.254 3.163 1.00 24.43 C ATOM 774 CD1 LEU A 58 11.488 -0.711 2.111 1.00 72.10 C ATOM 775 CD2 LEU A 58 10.758 0.697 4.011 1.00 14.24 C ATOM 0 H LEU A 58 14.295 1.665 3.455 1.00 42.44 H new ATOM 0 HA LEU A 58 12.776 0.877 5.735 1.00 74.42 H new ATOM 0 HB2 LEU A 58 13.840 -0.690 3.383 1.00 45.32 H new ATOM 0 HB3 LEU A 58 12.628 -1.247 4.519 1.00 45.32 H new ATOM 0 HG LEU A 58 12.349 1.133 2.669 1.00 24.43 H new ATOM 0 HD11 LEU A 58 10.707 -0.253 1.504 1.00 72.10 H new ATOM 0 HD12 LEU A 58 12.334 -0.973 1.476 1.00 72.10 H new ATOM 0 HD13 LEU A 58 11.097 -1.611 2.585 1.00 72.10 H new ATOM 0 HD21 LEU A 58 9.991 1.131 3.370 1.00 14.24 H new ATOM 0 HD22 LEU A 58 10.346 -0.163 4.539 1.00 14.24 H new ATOM 0 HD23 LEU A 58 11.091 1.441 4.734 1.00 14.24 H new ATOM 783 N LEU A 59 15.869 -0.138 5.505 1.00 54.12 N ATOM 784 CA LEU A 59 16.974 -0.727 6.254 1.00 31.53 C ATOM 785 C LEU A 59 17.352 0.208 7.411 1.00 24.20 C ATOM 786 O LEU A 59 17.726 -0.224 8.491 1.00 23.13 O ATOM 787 CB LEU A 59 18.178 -0.952 5.322 1.00 42.10 C ATOM 788 CG LEU A 59 17.918 -1.845 4.093 1.00 32.54 C ATOM 789 CD1 LEU A 59 19.170 -1.983 3.247 1.00 22.44 C ATOM 790 CD2 LEU A 59 17.398 -3.217 4.504 1.00 12.11 C ATOM 0 H LEU A 59 16.144 0.280 4.616 1.00 54.12 H new ATOM 0 HA LEU A 59 16.672 -1.692 6.661 1.00 31.53 H new ATOM 0 HB2 LEU A 59 18.530 0.019 4.974 1.00 42.10 H new ATOM 0 HB3 LEU A 59 18.986 -1.394 5.904 1.00 42.10 H new ATOM 0 HG LEU A 59 17.149 -1.359 3.492 1.00 32.54 H new ATOM 0 HD11 LEU A 59 18.959 -2.618 2.386 1.00 22.44 H new ATOM 0 HD12 LEU A 59 19.487 -0.999 2.903 1.00 22.44 H new ATOM 0 HD13 LEU A 59 19.964 -2.432 3.843 1.00 22.44 H new ATOM 0 HD21 LEU A 59 17.225 -3.822 3.614 1.00 12.11 H new ATOM 0 HD22 LEU A 59 18.134 -3.709 5.140 1.00 12.11 H new ATOM 0 HD23 LEU A 59 16.463 -3.102 5.052 1.00 12.11 H new ATOM 798 N ASN A 60 17.214 1.487 7.159 1.00 3.45 N ATOM 799 CA ASN A 60 17.480 2.556 8.119 1.00 33.02 C ATOM 800 C ASN A 60 16.420 2.566 9.237 1.00 14.13 C ATOM 801 O ASN A 60 16.724 2.847 10.398 1.00 74.10 O ATOM 802 CB ASN A 60 17.572 3.894 7.352 1.00 42.32 C ATOM 803 CG ASN A 60 17.745 5.141 8.196 1.00 44.53 C ATOM 804 OD1 ASN A 60 18.260 5.104 9.320 1.00 75.43 O ATOM 805 ND2 ASN A 60 17.382 6.271 7.621 1.00 54.20 N ATOM 0 H ASN A 60 16.903 1.835 6.252 1.00 3.45 H new ATOM 0 HA ASN A 60 18.433 2.390 8.622 1.00 33.02 H new ATOM 0 HB2 ASN A 60 18.409 3.833 6.656 1.00 42.32 H new ATOM 0 HB3 ASN A 60 16.668 4.008 6.754 1.00 42.32 H new ATOM 0 HD21 ASN A 60 17.523 7.158 8.105 1.00 54.20 H new ATOM 0 HD22 ASN A 60 16.960 6.258 6.692 1.00 54.20 H new ATOM 811 N GLN A 61 15.181 2.245 8.883 1.00 71.21 N ATOM 812 CA GLN A 61 14.119 2.067 9.876 1.00 65.44 C ATOM 813 C GLN A 61 14.326 0.781 10.627 1.00 50.51 C ATOM 814 O GLN A 61 14.041 0.688 11.823 1.00 24.55 O ATOM 815 CB GLN A 61 12.726 1.985 9.221 1.00 33.45 C ATOM 816 CG GLN A 61 12.205 3.280 8.609 1.00 44.42 C ATOM 817 CD GLN A 61 10.785 3.137 8.064 1.00 13.40 C ATOM 818 OE1 GLN A 61 9.812 3.342 8.781 1.00 63.52 O ATOM 819 NE2 GLN A 61 10.653 2.810 6.807 1.00 53.01 N ATOM 0 H GLN A 61 14.884 2.102 7.918 1.00 71.21 H new ATOM 0 HA GLN A 61 14.164 2.931 10.539 1.00 65.44 H new ATOM 0 HB2 GLN A 61 12.756 1.223 8.442 1.00 33.45 H new ATOM 0 HB3 GLN A 61 12.012 1.646 9.971 1.00 33.45 H new ATOM 0 HG2 GLN A 61 12.225 4.068 9.362 1.00 44.42 H new ATOM 0 HG3 GLN A 61 12.871 3.592 7.804 1.00 44.42 H new ATOM 0 HE21 GLN A 61 11.480 2.645 6.233 1.00 53.01 H new ATOM 0 HE22 GLN A 61 9.723 2.719 6.399 1.00 53.01 H new ATOM 827 N GLN A 62 14.850 -0.193 9.908 1.00 11.24 N ATOM 828 CA GLN A 62 14.947 -1.558 10.354 1.00 14.22 C ATOM 829 C GLN A 62 13.567 -2.104 10.557 1.00 74.41 C ATOM 830 O GLN A 62 13.093 -2.292 11.682 1.00 43.14 O ATOM 831 CB GLN A 62 15.848 -1.786 11.576 1.00 64.32 C ATOM 832 CG GLN A 62 17.289 -1.401 11.350 1.00 41.33 C ATOM 833 CD GLN A 62 18.183 -1.733 12.522 1.00 23.22 C ATOM 834 OE1 GLN A 62 17.746 -1.747 13.673 1.00 61.33 O ATOM 835 NE2 GLN A 62 19.435 -1.990 12.244 1.00 14.35 N ATOM 0 H GLN A 62 15.229 -0.046 8.972 1.00 11.24 H new ATOM 0 HA GLN A 62 15.457 -2.111 9.565 1.00 14.22 H new ATOM 0 HB2 GLN A 62 15.456 -1.213 12.417 1.00 64.32 H new ATOM 0 HB3 GLN A 62 15.803 -2.838 11.858 1.00 64.32 H new ATOM 0 HG2 GLN A 62 17.660 -1.912 10.462 1.00 41.33 H new ATOM 0 HG3 GLN A 62 17.346 -0.331 11.149 1.00 41.33 H new ATOM 0 HE21 GLN A 62 19.757 -1.968 11.277 1.00 14.35 H new ATOM 0 HE22 GLN A 62 20.089 -2.212 12.995 1.00 14.35 H new ATOM 843 N LYS A 63 12.876 -2.227 9.445 1.00 72.01 N ATOM 844 CA LYS A 63 11.566 -2.780 9.415 1.00 1.34 C ATOM 845 C LYS A 63 11.535 -4.242 9.866 1.00 13.21 C ATOM 846 O LYS A 63 12.551 -4.948 9.820 1.00 52.41 O ATOM 847 CB LYS A 63 10.892 -2.564 8.040 1.00 1.54 C ATOM 848 CG LYS A 63 11.722 -2.879 6.752 1.00 22.13 C ATOM 849 CD LYS A 63 12.420 -4.230 6.782 1.00 1.42 C ATOM 850 CE LYS A 63 13.888 -4.077 7.224 1.00 45.45 C ATOM 851 NZ LYS A 63 14.570 -5.378 7.425 1.00 73.54 N ATOM 0 H LYS A 63 13.225 -1.938 8.531 1.00 72.01 H new ATOM 0 HA LYS A 63 10.972 -2.234 10.148 1.00 1.34 H new ATOM 0 HB2 LYS A 63 9.990 -3.175 8.012 1.00 1.54 H new ATOM 0 HB3 LYS A 63 10.574 -1.523 7.985 1.00 1.54 H new ATOM 0 HG2 LYS A 63 11.060 -2.843 5.887 1.00 22.13 H new ATOM 0 HG3 LYS A 63 12.470 -2.098 6.614 1.00 22.13 H new ATOM 0 HD2 LYS A 63 11.898 -4.899 7.465 1.00 1.42 H new ATOM 0 HD3 LYS A 63 12.379 -4.688 5.794 1.00 1.42 H new ATOM 0 HE2 LYS A 63 14.430 -3.501 6.474 1.00 45.45 H new ATOM 0 HE3 LYS A 63 13.925 -3.506 8.152 1.00 45.45 H new ATOM 0 HZ1 LYS A 63 15.598 -5.249 7.335 1.00 73.54 H new ATOM 0 HZ2 LYS A 63 14.349 -5.743 8.373 1.00 73.54 H new ATOM 0 HZ3 LYS A 63 14.242 -6.056 6.708 1.00 73.54 H new ATOM 865 N LYS A 64 10.390 -4.683 10.276 1.00 72.30 N ATOM 866 CA LYS A 64 10.221 -6.003 10.821 1.00 22.33 C ATOM 867 C LYS A 64 8.913 -6.597 10.344 1.00 32.45 C ATOM 868 O LYS A 64 7.944 -5.873 10.111 1.00 32.24 O ATOM 869 CB LYS A 64 10.276 -5.926 12.356 1.00 52.21 C ATOM 870 CG LYS A 64 11.652 -5.514 12.900 1.00 61.23 C ATOM 871 CD LYS A 64 11.632 -5.173 14.379 1.00 70.33 C ATOM 872 CE LYS A 64 10.846 -3.891 14.632 1.00 74.43 C ATOM 873 NZ LYS A 64 10.879 -3.478 16.047 1.00 61.41 N ATOM 0 H LYS A 64 9.531 -4.134 10.244 1.00 72.30 H new ATOM 0 HA LYS A 64 11.025 -6.654 10.477 1.00 22.33 H new ATOM 0 HB2 LYS A 64 9.528 -5.213 12.703 1.00 52.21 H new ATOM 0 HB3 LYS A 64 10.006 -6.897 12.770 1.00 52.21 H new ATOM 0 HG2 LYS A 64 12.360 -6.325 12.730 1.00 61.23 H new ATOM 0 HG3 LYS A 64 12.014 -4.652 12.340 1.00 61.23 H new ATOM 0 HD2 LYS A 64 11.186 -5.994 14.940 1.00 70.33 H new ATOM 0 HD3 LYS A 64 12.653 -5.056 14.743 1.00 70.33 H new ATOM 0 HE2 LYS A 64 11.253 -3.091 14.014 1.00 74.43 H new ATOM 0 HE3 LYS A 64 9.811 -4.037 14.323 1.00 74.43 H new ATOM 0 HZ1 LYS A 64 10.331 -2.602 16.166 1.00 61.41 H new ATOM 0 HZ2 LYS A 64 10.466 -4.228 16.637 1.00 61.41 H new ATOM 0 HZ3 LYS A 64 11.864 -3.312 16.337 1.00 61.41 H new ATOM 887 N SER A 65 8.912 -7.897 10.185 1.00 30.42 N ATOM 888 CA SER A 65 7.782 -8.653 9.700 1.00 64.23 C ATOM 889 C SER A 65 6.544 -8.550 10.612 1.00 74.25 C ATOM 890 O SER A 65 6.653 -8.592 11.849 1.00 30.10 O ATOM 891 CB SER A 65 8.225 -10.105 9.467 1.00 44.20 C ATOM 892 OG SER A 65 8.813 -10.674 10.645 1.00 52.24 O ATOM 0 H SER A 65 9.723 -8.478 10.396 1.00 30.42 H new ATOM 0 HA SER A 65 7.455 -8.221 8.754 1.00 64.23 H new ATOM 0 HB2 SER A 65 7.366 -10.704 9.163 1.00 44.20 H new ATOM 0 HB3 SER A 65 8.944 -10.140 8.648 1.00 44.20 H new ATOM 0 HG SER A 65 8.790 -11.652 10.583 1.00 52.24 H new ATOM 898 N GLY A 66 5.376 -8.394 9.995 1.00 24.33 N ATOM 899 CA GLY A 66 4.132 -8.281 10.740 1.00 34.32 C ATOM 900 C GLY A 66 3.869 -6.850 11.166 1.00 42.51 C ATOM 901 O GLY A 66 3.028 -6.581 12.047 1.00 31.33 O ATOM 0 H GLY A 66 5.268 -8.343 8.982 1.00 24.33 H new ATOM 0 HA2 GLY A 66 3.305 -8.637 10.126 1.00 34.32 H new ATOM 0 HA3 GLY A 66 4.174 -8.922 11.620 1.00 34.32 H new ATOM 905 N GLU A 67 4.590 -5.947 10.557 1.00 42.35 N ATOM 906 CA GLU A 67 4.516 -4.538 10.838 1.00 72.12 C ATOM 907 C GLU A 67 4.608 -3.768 9.531 1.00 61.53 C ATOM 908 O GLU A 67 4.849 -4.365 8.474 1.00 60.22 O ATOM 909 CB GLU A 67 5.633 -4.104 11.806 1.00 5.45 C ATOM 910 CG GLU A 67 5.565 -4.769 13.176 1.00 2.20 C ATOM 911 CD GLU A 67 6.630 -4.282 14.118 1.00 64.43 C ATOM 912 OE1 GLU A 67 6.415 -3.257 14.782 1.00 21.42 O ATOM 913 OE2 GLU A 67 7.697 -4.916 14.206 1.00 62.44 O ATOM 0 H GLU A 67 5.266 -6.179 9.829 1.00 42.35 H new ATOM 0 HA GLU A 67 3.564 -4.321 11.323 1.00 72.12 H new ATOM 0 HB2 GLU A 67 6.599 -4.329 11.353 1.00 5.45 H new ATOM 0 HB3 GLU A 67 5.586 -3.023 11.936 1.00 5.45 H new ATOM 0 HG2 GLU A 67 4.585 -4.583 13.616 1.00 2.20 H new ATOM 0 HG3 GLU A 67 5.660 -5.848 13.055 1.00 2.20 H new ATOM 920 N VAL A 68 4.420 -2.473 9.582 1.00 51.10 N ATOM 921 CA VAL A 68 4.448 -1.687 8.378 1.00 4.21 C ATOM 922 C VAL A 68 5.496 -0.599 8.499 1.00 63.24 C ATOM 923 O VAL A 68 5.619 0.068 9.542 1.00 40.43 O ATOM 924 CB VAL A 68 3.048 -1.045 8.057 1.00 1.12 C ATOM 925 CG1 VAL A 68 2.644 -0.003 9.090 1.00 13.51 C ATOM 926 CG2 VAL A 68 3.022 -0.442 6.674 1.00 1.35 C ATOM 0 H VAL A 68 4.247 -1.946 10.438 1.00 51.10 H new ATOM 0 HA VAL A 68 4.699 -2.356 7.555 1.00 4.21 H new ATOM 0 HB VAL A 68 2.320 -1.855 8.097 1.00 1.12 H new ATOM 0 HG11 VAL A 68 1.671 0.412 8.827 1.00 13.51 H new ATOM 0 HG12 VAL A 68 2.585 -0.469 10.073 1.00 13.51 H new ATOM 0 HG13 VAL A 68 3.386 0.795 9.111 1.00 13.51 H new ATOM 0 HG21 VAL A 68 2.040 -0.007 6.485 1.00 1.35 H new ATOM 0 HG22 VAL A 68 3.783 0.335 6.601 1.00 1.35 H new ATOM 0 HG23 VAL A 68 3.224 -1.218 5.935 1.00 1.35 H new ATOM 932 N ALA A 69 6.263 -0.446 7.474 1.00 53.33 N ATOM 933 CA ALA A 69 7.258 0.575 7.423 1.00 12.53 C ATOM 934 C ALA A 69 6.724 1.679 6.563 1.00 50.55 C ATOM 935 O ALA A 69 6.057 1.414 5.572 1.00 42.33 O ATOM 936 CB ALA A 69 8.543 0.023 6.855 1.00 32.41 C ATOM 0 H ALA A 69 6.218 -1.030 6.639 1.00 53.33 H new ATOM 0 HA ALA A 69 7.479 0.951 8.422 1.00 12.53 H new ATOM 0 HB1 ALA A 69 9.294 0.812 6.821 1.00 32.41 H new ATOM 0 HB2 ALA A 69 8.900 -0.791 7.486 1.00 32.41 H new ATOM 0 HB3 ALA A 69 8.364 -0.351 5.847 1.00 32.41 H new ATOM 942 N VAL A 70 6.979 2.888 6.924 1.00 73.02 N ATOM 943 CA VAL A 70 6.423 3.985 6.195 1.00 65.33 C ATOM 944 C VAL A 70 7.432 5.081 6.002 1.00 2.32 C ATOM 945 O VAL A 70 8.269 5.331 6.871 1.00 54.13 O ATOM 946 CB VAL A 70 5.123 4.505 6.876 1.00 52.43 C ATOM 947 CG1 VAL A 70 5.363 4.930 8.322 1.00 32.32 C ATOM 948 CG2 VAL A 70 4.453 5.614 6.082 1.00 34.01 C ATOM 0 H VAL A 70 7.567 3.147 7.717 1.00 73.02 H new ATOM 0 HA VAL A 70 6.150 3.626 5.203 1.00 65.33 H new ATOM 0 HB VAL A 70 4.433 3.661 6.892 1.00 52.43 H new ATOM 0 HG11 VAL A 70 4.429 5.286 8.757 1.00 32.32 H new ATOM 0 HG12 VAL A 70 5.729 4.078 8.896 1.00 32.32 H new ATOM 0 HG13 VAL A 70 6.103 5.730 8.348 1.00 32.32 H new ATOM 0 HG21 VAL A 70 3.552 5.940 6.601 1.00 34.01 H new ATOM 0 HG22 VAL A 70 5.139 6.455 5.982 1.00 34.01 H new ATOM 0 HG23 VAL A 70 4.187 5.243 5.092 1.00 34.01 H new ATOM 954 N LEU A 71 7.358 5.719 4.875 1.00 11.35 N ATOM 955 CA LEU A 71 8.265 6.766 4.537 1.00 62.12 C ATOM 956 C LEU A 71 7.474 7.999 4.240 1.00 35.52 C ATOM 957 O LEU A 71 6.470 7.933 3.516 1.00 74.33 O ATOM 958 CB LEU A 71 9.047 6.394 3.273 1.00 10.12 C ATOM 959 CG LEU A 71 9.802 5.071 3.288 1.00 54.14 C ATOM 960 CD1 LEU A 71 10.517 4.861 1.970 1.00 72.21 C ATOM 961 CD2 LEU A 71 10.782 5.022 4.434 1.00 72.15 C ATOM 0 H LEU A 71 6.659 5.524 4.159 1.00 11.35 H new ATOM 0 HA LEU A 71 8.955 6.926 5.366 1.00 62.12 H new ATOM 0 HB2 LEU A 71 8.349 6.375 2.436 1.00 10.12 H new ATOM 0 HB3 LEU A 71 9.764 7.190 3.072 1.00 10.12 H new ATOM 0 HG LEU A 71 9.080 4.267 3.427 1.00 54.14 H new ATOM 0 HD11 LEU A 71 11.053 3.912 1.994 1.00 72.21 H new ATOM 0 HD12 LEU A 71 9.789 4.846 1.159 1.00 72.21 H new ATOM 0 HD13 LEU A 71 11.225 5.673 1.807 1.00 72.21 H new ATOM 0 HD21 LEU A 71 11.308 4.067 4.422 1.00 72.15 H new ATOM 0 HD22 LEU A 71 11.502 5.834 4.332 1.00 72.15 H new ATOM 0 HD23 LEU A 71 10.245 5.129 5.377 1.00 72.15 H new ATOM 969 N LYS A 72 7.880 9.108 4.793 1.00 15.35 N ATOM 970 CA LYS A 72 7.237 10.342 4.482 1.00 14.23 C ATOM 971 C LYS A 72 7.971 10.944 3.316 1.00 25.13 C ATOM 972 O LYS A 72 9.144 11.298 3.420 1.00 4.21 O ATOM 973 CB LYS A 72 7.245 11.297 5.665 1.00 73.55 C ATOM 974 CG LYS A 72 6.462 12.586 5.409 1.00 33.20 C ATOM 975 CD LYS A 72 6.449 13.508 6.624 1.00 53.22 C ATOM 976 CE LYS A 72 7.847 13.968 6.994 1.00 60.51 C ATOM 977 NZ LYS A 72 7.843 14.902 8.133 1.00 4.12 N ATOM 0 H LYS A 72 8.650 9.177 5.458 1.00 15.35 H new ATOM 0 HA LYS A 72 6.190 10.161 4.237 1.00 14.23 H new ATOM 0 HB2 LYS A 72 6.824 10.791 6.534 1.00 73.55 H new ATOM 0 HB3 LYS A 72 8.276 11.550 5.912 1.00 73.55 H new ATOM 0 HG2 LYS A 72 6.901 13.112 4.561 1.00 33.20 H new ATOM 0 HG3 LYS A 72 5.437 12.337 5.134 1.00 33.20 H new ATOM 0 HD2 LYS A 72 5.823 14.376 6.416 1.00 53.22 H new ATOM 0 HD3 LYS A 72 6.001 12.988 7.471 1.00 53.22 H new ATOM 0 HE2 LYS A 72 8.460 13.101 7.240 1.00 60.51 H new ATOM 0 HE3 LYS A 72 8.309 14.450 6.132 1.00 60.51 H new ATOM 0 HZ1 LYS A 72 8.819 15.189 8.350 1.00 4.12 H new ATOM 0 HZ2 LYS A 72 7.280 15.743 7.891 1.00 4.12 H new ATOM 0 HZ3 LYS A 72 7.427 14.435 8.964 1.00 4.12 H new ATOM 991 N ARG A 73 7.317 11.021 2.221 1.00 12.44 N ATOM 992 CA ARG A 73 7.916 11.510 1.003 1.00 23.34 C ATOM 993 C ARG A 73 7.117 12.653 0.475 1.00 24.12 C ATOM 994 O ARG A 73 5.956 12.480 0.135 1.00 62.32 O ATOM 995 CB ARG A 73 7.961 10.403 -0.062 1.00 61.23 C ATOM 996 CG ARG A 73 8.845 9.186 0.246 1.00 22.41 C ATOM 997 CD ARG A 73 10.345 9.516 0.253 1.00 32.02 C ATOM 998 NE ARG A 73 10.761 10.376 1.365 1.00 22.14 N ATOM 999 CZ ARG A 73 11.940 11.005 1.444 1.00 74.43 C ATOM 1000 NH1 ARG A 73 12.771 11.020 0.399 1.00 54.13 N ATOM 1001 NH2 ARG A 73 12.265 11.646 2.554 1.00 42.33 N ATOM 0 H ARG A 73 6.339 10.748 2.125 1.00 12.44 H new ATOM 0 HA ARG A 73 8.933 11.833 1.227 1.00 23.34 H new ATOM 0 HB2 ARG A 73 6.943 10.051 -0.230 1.00 61.23 H new ATOM 0 HB3 ARG A 73 8.304 10.845 -0.998 1.00 61.23 H new ATOM 0 HG2 ARG A 73 8.565 8.777 1.217 1.00 22.41 H new ATOM 0 HG3 ARG A 73 8.654 8.409 -0.494 1.00 22.41 H new ATOM 0 HD2 ARG A 73 10.911 8.585 0.295 1.00 32.02 H new ATOM 0 HD3 ARG A 73 10.604 10.004 -0.687 1.00 32.02 H new ATOM 0 HE ARG A 73 10.104 10.504 2.135 1.00 22.14 H new ATOM 0 HH11 ARG A 73 12.509 10.550 -0.468 1.00 54.13 H new ATOM 0 HH12 ARG A 73 13.668 11.502 0.467 1.00 54.13 H new ATOM 0 HH21 ARG A 73 11.619 11.659 3.343 1.00 42.33 H new ATOM 0 HH22 ARG A 73 13.162 12.127 2.621 1.00 42.33 H new ATOM 1013 N ASP A 74 7.723 13.822 0.444 1.00 35.31 N ATOM 1014 CA ASP A 74 7.109 15.040 -0.129 1.00 32.35 C ATOM 1015 C ASP A 74 5.776 15.372 0.547 1.00 22.44 C ATOM 1016 O ASP A 74 4.892 16.002 -0.053 1.00 13.01 O ATOM 1017 CB ASP A 74 6.906 14.865 -1.647 1.00 3.00 C ATOM 1018 CG ASP A 74 8.201 14.680 -2.403 1.00 54.14 C ATOM 1019 OD1 ASP A 74 8.645 13.532 -2.558 1.00 54.04 O ATOM 1020 OD2 ASP A 74 8.804 15.694 -2.851 1.00 23.50 O ATOM 0 H ASP A 74 8.662 13.973 0.814 1.00 35.31 H new ATOM 0 HA ASP A 74 7.789 15.873 0.051 1.00 32.35 H new ATOM 0 HB2 ASP A 74 6.263 14.003 -1.824 1.00 3.00 H new ATOM 0 HB3 ASP A 74 6.385 15.738 -2.040 1.00 3.00 H new ATOM 1025 N GLY A 75 5.668 15.007 1.813 1.00 44.22 N ATOM 1026 CA GLY A 75 4.463 15.259 2.571 1.00 34.40 C ATOM 1027 C GLY A 75 3.418 14.153 2.448 1.00 24.33 C ATOM 1028 O GLY A 75 2.356 14.240 3.052 1.00 45.13 O ATOM 0 H GLY A 75 6.405 14.534 2.336 1.00 44.22 H new ATOM 0 HA2 GLY A 75 4.725 15.384 3.622 1.00 34.40 H new ATOM 0 HA3 GLY A 75 4.025 16.200 2.238 1.00 34.40 H new ATOM 1032 N ARG A 76 3.711 13.117 1.679 1.00 64.11 N ATOM 1033 CA ARG A 76 2.776 12.010 1.529 1.00 20.53 C ATOM 1034 C ARG A 76 3.395 10.791 2.208 1.00 33.22 C ATOM 1035 O ARG A 76 4.565 10.833 2.611 1.00 14.53 O ATOM 1036 CB ARG A 76 2.526 11.703 0.033 1.00 4.35 C ATOM 1037 CG ARG A 76 3.581 10.804 -0.613 1.00 75.11 C ATOM 1038 CD ARG A 76 3.459 10.755 -2.112 1.00 23.53 C ATOM 1039 NE ARG A 76 2.109 10.493 -2.582 1.00 64.12 N ATOM 1040 CZ ARG A 76 1.645 10.923 -3.756 1.00 14.14 C ATOM 1041 NH1 ARG A 76 2.437 11.599 -4.591 1.00 75.44 N ATOM 1042 NH2 ARG A 76 0.418 10.666 -4.095 1.00 22.41 N ATOM 0 H ARG A 76 4.579 13.018 1.153 1.00 64.11 H new ATOM 0 HA ARG A 76 1.818 12.266 1.982 1.00 20.53 H new ATOM 0 HB2 ARG A 76 1.550 11.229 -0.070 1.00 4.35 H new ATOM 0 HB3 ARG A 76 2.483 12.644 -0.516 1.00 4.35 H new ATOM 0 HG2 ARG A 76 4.574 11.164 -0.344 1.00 75.11 H new ATOM 0 HG3 ARG A 76 3.489 9.795 -0.211 1.00 75.11 H new ATOM 0 HD2 ARG A 76 3.800 11.704 -2.526 1.00 23.53 H new ATOM 0 HD3 ARG A 76 4.124 9.982 -2.496 1.00 23.53 H new ATOM 0 HE ARG A 76 1.484 9.953 -1.983 1.00 64.12 H new ATOM 0 HH11 ARG A 76 3.405 11.790 -4.333 1.00 75.44 H new ATOM 0 HH12 ARG A 76 2.074 11.924 -5.487 1.00 75.44 H new ATOM 0 HH21 ARG A 76 -0.185 10.138 -3.465 1.00 22.41 H new ATOM 0 HH22 ARG A 76 0.058 10.992 -4.992 1.00 22.41 H new ATOM 1054 N TYR A 77 2.652 9.725 2.327 1.00 53.14 N ATOM 1055 CA TYR A 77 3.177 8.527 2.932 1.00 42.00 C ATOM 1056 C TYR A 77 3.264 7.372 1.974 1.00 63.43 C ATOM 1057 O TYR A 77 2.460 7.252 1.046 1.00 23.25 O ATOM 1058 CB TYR A 77 2.410 8.145 4.183 1.00 54.03 C ATOM 1059 CG TYR A 77 2.659 9.077 5.325 1.00 5.00 C ATOM 1060 CD1 TYR A 77 3.902 9.115 5.927 1.00 0.02 C ATOM 1061 CD2 TYR A 77 1.669 9.905 5.812 1.00 31.02 C ATOM 1062 CE1 TYR A 77 4.158 9.946 6.980 1.00 30.02 C ATOM 1063 CE2 TYR A 77 1.916 10.751 6.874 1.00 30.52 C ATOM 1064 CZ TYR A 77 3.164 10.763 7.452 1.00 43.12 C ATOM 1065 OH TYR A 77 3.412 11.586 8.514 1.00 72.33 O ATOM 0 H TYR A 77 1.683 9.659 2.015 1.00 53.14 H new ATOM 0 HA TYR A 77 4.200 8.765 3.224 1.00 42.00 H new ATOM 0 HB2 TYR A 77 1.343 8.130 3.959 1.00 54.03 H new ATOM 0 HB3 TYR A 77 2.688 7.133 4.479 1.00 54.03 H new ATOM 0 HD1 TYR A 77 4.688 8.474 5.557 1.00 0.02 H new ATOM 0 HD2 TYR A 77 0.690 9.891 5.357 1.00 31.02 H new ATOM 0 HE1 TYR A 77 5.136 9.959 7.437 1.00 30.02 H new ATOM 0 HE2 TYR A 77 1.136 11.398 7.248 1.00 30.52 H new ATOM 0 HH TYR A 77 2.699 12.255 8.583 1.00 72.33 H new ATOM 1075 N ILE A 78 4.261 6.542 2.191 1.00 33.35 N ATOM 1076 CA ILE A 78 4.488 5.355 1.399 1.00 31.23 C ATOM 1077 C ILE A 78 4.576 4.193 2.374 1.00 22.24 C ATOM 1078 O ILE A 78 5.460 4.179 3.239 1.00 55.45 O ATOM 1079 CB ILE A 78 5.827 5.442 0.592 1.00 42.55 C ATOM 1080 CG1 ILE A 78 5.888 6.727 -0.265 1.00 63.13 C ATOM 1081 CG2 ILE A 78 5.999 4.210 -0.298 1.00 31.41 C ATOM 1082 CD1 ILE A 78 4.800 6.842 -1.317 1.00 53.50 C ATOM 0 H ILE A 78 4.947 6.676 2.934 1.00 33.35 H new ATOM 0 HA ILE A 78 3.680 5.235 0.678 1.00 31.23 H new ATOM 0 HB ILE A 78 6.644 5.477 1.313 1.00 42.55 H new ATOM 0 HG12 ILE A 78 5.827 7.591 0.396 1.00 63.13 H new ATOM 0 HG13 ILE A 78 6.858 6.772 -0.760 1.00 63.13 H new ATOM 0 HG21 ILE A 78 6.935 4.288 -0.851 1.00 31.41 H new ATOM 0 HG22 ILE A 78 6.018 3.313 0.321 1.00 31.41 H new ATOM 0 HG23 ILE A 78 5.167 4.149 -1.000 1.00 31.41 H new ATOM 0 HD11 ILE A 78 4.924 7.774 -1.868 1.00 53.50 H new ATOM 0 HD12 ILE A 78 4.870 6.001 -2.007 1.00 53.50 H new ATOM 0 HD13 ILE A 78 3.823 6.833 -0.833 1.00 53.50 H new ATOM 1089 N TYR A 79 3.670 3.256 2.258 1.00 10.42 N ATOM 1090 CA TYR A 79 3.585 2.153 3.200 1.00 42.25 C ATOM 1091 C TYR A 79 4.152 0.861 2.636 1.00 22.33 C ATOM 1092 O TYR A 79 3.900 0.490 1.474 1.00 2.32 O ATOM 1093 CB TYR A 79 2.143 1.925 3.648 1.00 64.11 C ATOM 1094 CG TYR A 79 1.496 3.096 4.354 1.00 62.31 C ATOM 1095 CD1 TYR A 79 0.803 4.073 3.646 1.00 13.20 C ATOM 1096 CD2 TYR A 79 1.562 3.213 5.730 1.00 72.23 C ATOM 1097 CE1 TYR A 79 0.196 5.130 4.294 1.00 70.54 C ATOM 1098 CE2 TYR A 79 0.961 4.264 6.386 1.00 52.23 C ATOM 1099 CZ TYR A 79 0.278 5.219 5.666 1.00 35.04 C ATOM 1100 OH TYR A 79 -0.333 6.268 6.329 1.00 65.10 O ATOM 0 H TYR A 79 2.971 3.229 1.515 1.00 10.42 H new ATOM 0 HA TYR A 79 4.192 2.438 4.060 1.00 42.25 H new ATOM 0 HB2 TYR A 79 1.543 1.672 2.774 1.00 64.11 H new ATOM 0 HB3 TYR A 79 2.118 1.061 4.313 1.00 64.11 H new ATOM 0 HD1 TYR A 79 0.739 4.003 2.570 1.00 13.20 H new ATOM 0 HD2 TYR A 79 2.095 2.467 6.301 1.00 72.23 H new ATOM 0 HE1 TYR A 79 -0.338 5.880 3.730 1.00 70.54 H new ATOM 0 HE2 TYR A 79 1.025 4.339 7.461 1.00 52.23 H new ATOM 0 HH TYR A 79 -1.250 6.016 6.565 1.00 65.10 H new ATOM 1110 N TYR A 80 4.923 0.201 3.448 1.00 14.01 N ATOM 1111 CA TYR A 80 5.511 -1.070 3.131 1.00 54.14 C ATOM 1112 C TYR A 80 5.046 -2.115 4.114 1.00 1.24 C ATOM 1113 O TYR A 80 5.443 -2.092 5.287 1.00 74.31 O ATOM 1114 CB TYR A 80 7.032 -0.981 3.162 1.00 15.04 C ATOM 1115 CG TYR A 80 7.610 -0.086 2.108 1.00 63.35 C ATOM 1116 CD1 TYR A 80 7.747 1.280 2.308 1.00 50.12 C ATOM 1117 CD2 TYR A 80 8.020 -0.613 0.906 1.00 23.11 C ATOM 1118 CE1 TYR A 80 8.277 2.085 1.329 1.00 75.54 C ATOM 1119 CE2 TYR A 80 8.549 0.179 -0.072 1.00 42.45 C ATOM 1120 CZ TYR A 80 8.679 1.526 0.138 1.00 72.14 C ATOM 1121 OH TYR A 80 9.196 2.317 -0.852 1.00 52.51 O ATOM 0 H TYR A 80 5.169 0.541 4.378 1.00 14.01 H new ATOM 0 HA TYR A 80 5.196 -1.352 2.126 1.00 54.14 H new ATOM 0 HB2 TYR A 80 7.345 -0.621 4.142 1.00 15.04 H new ATOM 0 HB3 TYR A 80 7.447 -1.982 3.043 1.00 15.04 H new ATOM 0 HD1 TYR A 80 7.433 1.716 3.245 1.00 50.12 H new ATOM 0 HD2 TYR A 80 7.922 -1.674 0.732 1.00 23.11 H new ATOM 0 HE1 TYR A 80 8.377 3.148 1.493 1.00 75.54 H new ATOM 0 HE2 TYR A 80 8.864 -0.256 -1.009 1.00 42.45 H new ATOM 0 HH TYR A 80 9.430 1.762 -1.625 1.00 52.51 H new ATOM 1131 N LEU A 81 4.200 -2.997 3.659 1.00 11.30 N ATOM 1132 CA LEU A 81 3.711 -4.081 4.483 1.00 15.55 C ATOM 1133 C LEU A 81 4.775 -5.166 4.502 1.00 32.24 C ATOM 1134 O LEU A 81 5.123 -5.714 3.448 1.00 53.14 O ATOM 1135 CB LEU A 81 2.395 -4.628 3.906 1.00 31.02 C ATOM 1136 CG LEU A 81 1.251 -3.607 3.728 1.00 33.25 C ATOM 1137 CD1 LEU A 81 0.061 -4.263 3.071 1.00 3.23 C ATOM 1138 CD2 LEU A 81 0.833 -3.004 5.060 1.00 32.13 C ATOM 0 H LEU A 81 3.827 -2.990 2.710 1.00 11.30 H new ATOM 0 HA LEU A 81 3.513 -3.733 5.497 1.00 15.55 H new ATOM 0 HB2 LEU A 81 2.607 -5.077 2.936 1.00 31.02 H new ATOM 0 HB3 LEU A 81 2.042 -5.428 4.557 1.00 31.02 H new ATOM 0 HG LEU A 81 1.621 -2.804 3.090 1.00 33.25 H new ATOM 0 HD11 LEU A 81 -0.738 -3.531 2.952 1.00 3.23 H new ATOM 0 HD12 LEU A 81 0.351 -4.646 2.093 1.00 3.23 H new ATOM 0 HD13 LEU A 81 -0.291 -5.086 3.693 1.00 3.23 H new ATOM 0 HD21 LEU A 81 0.026 -2.289 4.899 1.00 32.13 H new ATOM 0 HD22 LEU A 81 0.489 -3.796 5.726 1.00 32.13 H new ATOM 0 HD23 LEU A 81 1.684 -2.494 5.512 1.00 32.13 H new ATOM 1146 N ILE A 82 5.305 -5.454 5.674 1.00 4.21 N ATOM 1147 CA ILE A 82 6.400 -6.394 5.793 1.00 44.05 C ATOM 1148 C ILE A 82 5.865 -7.792 6.134 1.00 40.31 C ATOM 1149 O ILE A 82 5.302 -8.009 7.213 1.00 0.04 O ATOM 1150 CB ILE A 82 7.398 -5.963 6.896 1.00 33.11 C ATOM 1151 CG1 ILE A 82 7.821 -4.485 6.737 1.00 21.24 C ATOM 1152 CG2 ILE A 82 8.625 -6.852 6.835 1.00 23.12 C ATOM 1153 CD1 ILE A 82 8.598 -4.161 5.470 1.00 52.22 C ATOM 0 H ILE A 82 4.994 -5.050 6.558 1.00 4.21 H new ATOM 0 HA ILE A 82 6.918 -6.413 4.834 1.00 44.05 H new ATOM 0 HB ILE A 82 6.903 -6.067 7.862 1.00 33.11 H new ATOM 0 HG12 ILE A 82 6.926 -3.864 6.763 1.00 21.24 H new ATOM 0 HG13 ILE A 82 8.429 -4.204 7.597 1.00 21.24 H new ATOM 0 HG21 ILE A 82 9.330 -6.552 7.610 1.00 23.12 H new ATOM 0 HG22 ILE A 82 8.331 -7.889 6.994 1.00 23.12 H new ATOM 0 HG23 ILE A 82 9.097 -6.754 5.857 1.00 23.12 H new ATOM 0 HD11 ILE A 82 8.846 -3.100 5.457 1.00 52.22 H new ATOM 0 HD12 ILE A 82 9.516 -4.748 5.446 1.00 52.22 H new ATOM 0 HD13 ILE A 82 7.990 -4.403 4.598 1.00 52.22 H new ATOM 1160 N THR A 83 6.059 -8.719 5.231 1.00 25.44 N ATOM 1161 CA THR A 83 5.553 -10.068 5.385 1.00 10.31 C ATOM 1162 C THR A 83 6.442 -11.000 6.230 1.00 30.43 C ATOM 1163 O THR A 83 6.210 -11.184 7.420 1.00 53.31 O ATOM 1164 CB THR A 83 5.289 -10.690 4.016 1.00 54.25 C ATOM 1165 OG1 THR A 83 6.429 -10.456 3.157 1.00 15.13 O ATOM 1166 CG2 THR A 83 4.038 -10.116 3.404 1.00 4.32 C ATOM 0 H THR A 83 6.573 -8.564 4.364 1.00 25.44 H new ATOM 0 HA THR A 83 4.624 -9.968 5.946 1.00 10.31 H new ATOM 0 HB THR A 83 5.141 -11.764 4.133 1.00 54.25 H new ATOM 0 HG1 THR A 83 6.446 -9.514 2.886 1.00 15.13 H new ATOM 0 HG21 THR A 83 3.868 -10.572 2.429 1.00 4.32 H new ATOM 0 HG22 THR A 83 3.188 -10.321 4.054 1.00 4.32 H new ATOM 0 HG23 THR A 83 4.152 -9.039 3.285 1.00 4.32 H new ATOM 1172 N LYS A 84 7.435 -11.584 5.599 1.00 71.41 N ATOM 1173 CA LYS A 84 8.363 -12.516 6.241 1.00 34.43 C ATOM 1174 C LYS A 84 9.771 -12.028 6.086 1.00 73.32 C ATOM 1175 O LYS A 84 10.013 -11.110 5.308 1.00 32.10 O ATOM 1176 CB LYS A 84 8.241 -13.937 5.648 1.00 35.23 C ATOM 1177 CG LYS A 84 7.192 -14.862 6.288 1.00 52.14 C ATOM 1178 CD LYS A 84 5.786 -14.326 6.261 1.00 15.42 C ATOM 1179 CE LYS A 84 4.831 -15.319 6.913 1.00 1.54 C ATOM 1180 NZ LYS A 84 5.159 -15.555 8.340 1.00 63.33 N ATOM 0 H LYS A 84 7.632 -11.429 4.610 1.00 71.41 H new ATOM 0 HA LYS A 84 8.104 -12.565 7.299 1.00 34.43 H new ATOM 0 HB2 LYS A 84 8.012 -13.845 4.586 1.00 35.23 H new ATOM 0 HB3 LYS A 84 9.214 -14.422 5.723 1.00 35.23 H new ATOM 0 HG2 LYS A 84 7.211 -15.822 5.773 1.00 52.14 H new ATOM 0 HG3 LYS A 84 7.476 -15.050 7.324 1.00 52.14 H new ATOM 0 HD2 LYS A 84 5.743 -13.371 6.785 1.00 15.42 H new ATOM 0 HD3 LYS A 84 5.480 -14.139 5.232 1.00 15.42 H new ATOM 0 HE2 LYS A 84 3.810 -14.945 6.833 1.00 1.54 H new ATOM 0 HE3 LYS A 84 4.867 -16.265 6.372 1.00 1.54 H new ATOM 0 HZ1 LYS A 84 4.474 -16.223 8.748 1.00 63.33 H new ATOM 0 HZ2 LYS A 84 6.117 -15.952 8.415 1.00 63.33 H new ATOM 0 HZ3 LYS A 84 5.116 -14.655 8.860 1.00 63.33 H new ATOM 1194 N LYS A 85 10.712 -12.662 6.802 1.00 4.33 N ATOM 1195 CA LYS A 85 12.120 -12.252 6.763 1.00 2.33 C ATOM 1196 C LYS A 85 12.692 -12.253 5.373 1.00 1.52 C ATOM 1197 O LYS A 85 13.347 -11.319 4.982 1.00 2.52 O ATOM 1198 CB LYS A 85 13.037 -13.075 7.685 1.00 52.22 C ATOM 1199 CG LYS A 85 12.888 -12.813 9.174 1.00 45.42 C ATOM 1200 CD LYS A 85 11.561 -13.258 9.715 1.00 72.14 C ATOM 1201 CE LYS A 85 11.440 -12.924 11.168 1.00 24.02 C ATOM 1202 NZ LYS A 85 11.430 -11.453 11.400 1.00 24.22 N ATOM 0 H LYS A 85 10.523 -13.457 7.412 1.00 4.33 H new ATOM 0 HA LYS A 85 12.099 -11.229 7.138 1.00 2.33 H new ATOM 0 HB2 LYS A 85 12.850 -14.133 7.501 1.00 52.22 H new ATOM 0 HB3 LYS A 85 14.072 -12.881 7.403 1.00 52.22 H new ATOM 0 HG2 LYS A 85 13.685 -13.329 9.710 1.00 45.42 H new ATOM 0 HG3 LYS A 85 13.014 -11.747 9.365 1.00 45.42 H new ATOM 0 HD2 LYS A 85 10.757 -12.777 9.159 1.00 72.14 H new ATOM 0 HD3 LYS A 85 11.448 -14.333 9.574 1.00 72.14 H new ATOM 0 HE2 LYS A 85 10.524 -13.361 11.566 1.00 24.02 H new ATOM 0 HE3 LYS A 85 12.270 -13.372 11.714 1.00 24.02 H new ATOM 0 HZ1 LYS A 85 11.379 -11.263 12.421 1.00 24.22 H new ATOM 0 HZ2 LYS A 85 12.300 -11.035 11.013 1.00 24.22 H new ATOM 0 HZ3 LYS A 85 10.604 -11.033 10.928 1.00 24.22 H new ATOM 1216 N ARG A 86 12.442 -13.298 4.622 1.00 55.34 N ATOM 1217 CA ARG A 86 12.975 -13.386 3.285 1.00 61.33 C ATOM 1218 C ARG A 86 11.903 -13.858 2.342 1.00 31.33 C ATOM 1219 O ARG A 86 10.959 -14.514 2.767 1.00 42.53 O ATOM 1220 CB ARG A 86 14.210 -14.312 3.229 1.00 32.34 C ATOM 1221 CG ARG A 86 15.321 -13.876 4.173 1.00 12.13 C ATOM 1222 CD ARG A 86 16.618 -14.636 3.967 1.00 72.14 C ATOM 1223 NE ARG A 86 17.673 -14.108 4.843 1.00 14.00 N ATOM 1224 CZ ARG A 86 18.906 -13.743 4.447 1.00 42.13 C ATOM 1225 NH1 ARG A 86 19.303 -13.941 3.189 1.00 23.13 N ATOM 1226 NH2 ARG A 86 19.744 -13.203 5.323 1.00 30.32 N ATOM 0 H ARG A 86 11.876 -14.095 4.912 1.00 55.34 H new ATOM 0 HA ARG A 86 13.305 -12.393 2.978 1.00 61.33 H new ATOM 0 HB2 ARG A 86 13.907 -15.329 3.478 1.00 32.34 H new ATOM 0 HB3 ARG A 86 14.595 -14.335 2.209 1.00 32.34 H new ATOM 0 HG2 ARG A 86 15.507 -12.811 4.036 1.00 12.13 H new ATOM 0 HG3 ARG A 86 14.988 -14.012 5.202 1.00 12.13 H new ATOM 0 HD2 ARG A 86 16.462 -15.695 4.174 1.00 72.14 H new ATOM 0 HD3 ARG A 86 16.930 -14.558 2.926 1.00 72.14 H new ATOM 0 HE ARG A 86 17.452 -14.010 5.834 1.00 14.00 H new ATOM 0 HH11 ARG A 86 18.670 -14.373 2.516 1.00 23.13 H new ATOM 0 HH12 ARG A 86 20.240 -13.660 2.900 1.00 23.13 H new ATOM 0 HH21 ARG A 86 19.452 -13.067 6.291 1.00 30.32 H new ATOM 0 HH22 ARG A 86 20.680 -12.924 5.029 1.00 30.32 H new ATOM 1238 N ALA A 87 12.054 -13.524 1.064 1.00 13.35 N ATOM 1239 CA ALA A 87 11.087 -13.892 0.016 1.00 15.40 C ATOM 1240 C ALA A 87 11.002 -15.406 -0.162 1.00 31.50 C ATOM 1241 O ALA A 87 10.036 -15.922 -0.704 1.00 62.45 O ATOM 1242 CB ALA A 87 11.444 -13.217 -1.298 1.00 54.41 C ATOM 0 H ALA A 87 12.850 -12.989 0.717 1.00 13.35 H new ATOM 0 HA ALA A 87 10.104 -13.542 0.333 1.00 15.40 H new ATOM 0 HB1 ALA A 87 10.719 -13.500 -2.061 1.00 54.41 H new ATOM 0 HB2 ALA A 87 11.429 -12.135 -1.167 1.00 54.41 H new ATOM 0 HB3 ALA A 87 12.440 -13.531 -1.610 1.00 54.41 H new ATOM 1248 N SER A 88 12.025 -16.099 0.301 1.00 32.42 N ATOM 1249 CA SER A 88 12.087 -17.541 0.229 1.00 65.34 C ATOM 1250 C SER A 88 11.146 -18.185 1.275 1.00 31.32 C ATOM 1251 O SER A 88 10.983 -19.404 1.319 1.00 60.21 O ATOM 1252 CB SER A 88 13.524 -17.967 0.472 1.00 41.23 C ATOM 1253 OG SER A 88 14.398 -17.241 -0.388 1.00 20.10 O ATOM 0 H SER A 88 12.840 -15.671 0.740 1.00 32.42 H new ATOM 0 HA SER A 88 11.759 -17.875 -0.755 1.00 65.34 H new ATOM 0 HB2 SER A 88 13.794 -17.789 1.513 1.00 41.23 H new ATOM 0 HB3 SER A 88 13.630 -19.037 0.293 1.00 41.23 H new ATOM 0 HG SER A 88 15.323 -17.519 -0.225 1.00 20.10 H new ATOM 1259 N HIS A 89 10.541 -17.355 2.110 1.00 25.31 N ATOM 1260 CA HIS A 89 9.596 -17.824 3.104 1.00 30.30 C ATOM 1261 C HIS A 89 8.203 -17.682 2.525 1.00 63.30 C ATOM 1262 O HIS A 89 7.971 -16.811 1.681 1.00 23.30 O ATOM 1263 CB HIS A 89 9.667 -17.001 4.407 1.00 44.21 C ATOM 1264 CG HIS A 89 10.978 -17.021 5.158 1.00 52.44 C ATOM 1265 ND1 HIS A 89 12.191 -17.542 4.857 1.00 10.23 N flip ATOM 1266 CD2 HIS A 89 11.137 -16.395 6.377 1.00 51.11 C flip ATOM 1267 CE1 HIS A 89 13.041 -17.207 5.888 1.00 41.52 C flip ATOM 1268 NE2 HIS A 89 12.381 -16.513 6.787 1.00 42.33 N flip ATOM 0 H HIS A 89 10.691 -16.346 2.116 1.00 25.31 H new ATOM 0 HA HIS A 89 9.837 -18.859 3.347 1.00 30.30 H new ATOM 0 HB2 HIS A 89 9.429 -15.965 4.167 1.00 44.21 H new ATOM 0 HB3 HIS A 89 8.886 -17.360 5.078 1.00 44.21 H new ATOM 0 HD1 HIS A 89 12.430 -18.081 4.024 1.00 10.23 H new ATOM 0 HD2 HIS A 89 10.354 -15.883 6.916 1.00 51.11 H new ATOM 0 HE1 HIS A 89 14.086 -17.473 5.948 1.00 41.52 H new ATOM 1277 N LYS A 90 7.290 -18.501 2.972 1.00 63.12 N ATOM 1278 CA LYS A 90 5.931 -18.460 2.473 1.00 74.43 C ATOM 1279 C LYS A 90 5.102 -17.465 3.271 1.00 25.31 C ATOM 1280 O LYS A 90 4.911 -17.634 4.489 1.00 53.30 O ATOM 1281 CB LYS A 90 5.295 -19.842 2.535 1.00 33.33 C ATOM 1282 CG LYS A 90 6.052 -20.889 1.755 1.00 32.32 C ATOM 1283 CD LYS A 90 5.372 -22.233 1.824 1.00 51.43 C ATOM 1284 CE LYS A 90 6.176 -23.274 1.084 1.00 74.30 C ATOM 1285 NZ LYS A 90 5.509 -24.589 1.079 1.00 72.35 N ATOM 0 H LYS A 90 7.458 -19.211 3.685 1.00 63.12 H new ATOM 0 HA LYS A 90 5.959 -18.138 1.432 1.00 74.43 H new ATOM 0 HB2 LYS A 90 5.227 -20.155 3.577 1.00 33.33 H new ATOM 0 HB3 LYS A 90 4.276 -19.782 2.153 1.00 33.33 H new ATOM 0 HG2 LYS A 90 6.137 -20.577 0.714 1.00 32.32 H new ATOM 0 HG3 LYS A 90 7.066 -20.973 2.147 1.00 32.32 H new ATOM 0 HD2 LYS A 90 5.250 -22.532 2.865 1.00 51.43 H new ATOM 0 HD3 LYS A 90 4.373 -22.164 1.394 1.00 51.43 H new ATOM 0 HE2 LYS A 90 6.336 -22.945 0.057 1.00 74.30 H new ATOM 0 HE3 LYS A 90 7.159 -23.368 1.546 1.00 74.30 H new ATOM 0 HZ1 LYS A 90 6.095 -25.274 0.560 1.00 72.35 H new ATOM 0 HZ2 LYS A 90 5.379 -24.916 2.058 1.00 72.35 H new ATOM 0 HZ3 LYS A 90 4.582 -24.506 0.615 1.00 72.35 H new ATOM 1299 N PRO A 91 4.612 -16.404 2.621 1.00 60.22 N ATOM 1300 CA PRO A 91 3.825 -15.396 3.283 1.00 3.54 C ATOM 1301 C PRO A 91 2.405 -15.859 3.567 1.00 34.30 C ATOM 1302 O PRO A 91 1.787 -16.578 2.770 1.00 34.43 O ATOM 1303 CB PRO A 91 3.842 -14.213 2.319 1.00 21.44 C ATOM 1304 CG PRO A 91 4.075 -14.811 0.975 1.00 74.43 C ATOM 1305 CD PRO A 91 4.799 -16.114 1.186 1.00 11.32 C ATOM 0 HA PRO A 91 4.233 -15.148 4.263 1.00 3.54 H new ATOM 0 HB2 PRO A 91 2.900 -13.666 2.349 1.00 21.44 H new ATOM 0 HB3 PRO A 91 4.630 -13.505 2.577 1.00 21.44 H new ATOM 0 HG2 PRO A 91 3.130 -14.976 0.458 1.00 74.43 H new ATOM 0 HG3 PRO A 91 4.666 -14.139 0.352 1.00 74.43 H new ATOM 0 HD2 PRO A 91 4.384 -16.906 0.562 1.00 11.32 H new ATOM 0 HD3 PRO A 91 5.855 -16.028 0.931 1.00 11.32 H new ATOM 1313 N THR A 92 1.914 -15.476 4.706 1.00 50.11 N ATOM 1314 CA THR A 92 0.623 -15.790 5.135 1.00 1.32 C ATOM 1315 C THR A 92 -0.233 -14.541 5.106 1.00 31.15 C ATOM 1316 O THR A 92 0.296 -13.415 5.179 1.00 64.22 O ATOM 1317 CB THR A 92 0.713 -16.318 6.558 1.00 54.10 C ATOM 1318 OG1 THR A 92 1.527 -15.418 7.339 1.00 71.44 O ATOM 1319 CG2 THR A 92 1.302 -17.718 6.587 1.00 54.21 C ATOM 0 H THR A 92 2.439 -14.914 5.376 1.00 50.11 H new ATOM 0 HA THR A 92 0.176 -16.541 4.484 1.00 1.32 H new ATOM 0 HB THR A 92 -0.290 -16.373 6.980 1.00 54.10 H new ATOM 0 HG1 THR A 92 1.590 -15.749 8.259 1.00 71.44 H new ATOM 0 HG21 THR A 92 1.354 -18.070 7.617 1.00 54.21 H new ATOM 0 HG22 THR A 92 0.671 -18.390 6.006 1.00 54.21 H new ATOM 0 HG23 THR A 92 2.304 -17.700 6.159 1.00 54.21 H new ATOM 1325 N TYR A 93 -1.527 -14.724 5.019 1.00 2.43 N ATOM 1326 CA TYR A 93 -2.451 -13.617 4.996 1.00 20.12 C ATOM 1327 C TYR A 93 -2.477 -12.928 6.347 1.00 13.02 C ATOM 1328 O TYR A 93 -2.646 -11.725 6.421 1.00 31.41 O ATOM 1329 CB TYR A 93 -3.859 -14.070 4.580 1.00 33.13 C ATOM 1330 CG TYR A 93 -3.940 -14.625 3.167 1.00 34.41 C ATOM 1331 CD1 TYR A 93 -3.729 -15.976 2.905 1.00 63.34 C ATOM 1332 CD2 TYR A 93 -4.229 -13.793 2.097 1.00 31.04 C ATOM 1333 CE1 TYR A 93 -3.803 -16.474 1.616 1.00 34.15 C ATOM 1334 CE2 TYR A 93 -4.306 -14.283 0.809 1.00 32.34 C ATOM 1335 CZ TYR A 93 -4.092 -15.621 0.571 1.00 42.14 C ATOM 1336 OH TYR A 93 -4.169 -16.112 -0.723 1.00 2.43 O ATOM 0 H TYR A 93 -1.969 -15.642 4.962 1.00 2.43 H new ATOM 0 HA TYR A 93 -2.107 -12.902 4.249 1.00 20.12 H new ATOM 0 HB2 TYR A 93 -4.205 -14.832 5.279 1.00 33.13 H new ATOM 0 HB3 TYR A 93 -4.541 -13.225 4.667 1.00 33.13 H new ATOM 0 HD1 TYR A 93 -3.504 -16.646 3.721 1.00 63.34 H new ATOM 0 HD2 TYR A 93 -4.397 -12.741 2.274 1.00 31.04 H new ATOM 0 HE1 TYR A 93 -3.635 -17.524 1.429 1.00 34.15 H new ATOM 0 HE2 TYR A 93 -4.534 -13.617 -0.010 1.00 32.34 H new ATOM 0 HH TYR A 93 -5.003 -15.809 -1.139 1.00 2.43 H new ATOM 1346 N GLU A 94 -2.258 -13.708 7.411 1.00 51.50 N ATOM 1347 CA GLU A 94 -2.245 -13.183 8.780 1.00 40.34 C ATOM 1348 C GLU A 94 -1.235 -12.058 8.927 1.00 32.43 C ATOM 1349 O GLU A 94 -1.558 -10.985 9.414 1.00 63.21 O ATOM 1350 CB GLU A 94 -1.864 -14.261 9.772 1.00 34.11 C ATOM 1351 CG GLU A 94 -2.740 -15.477 9.773 1.00 33.21 C ATOM 1352 CD GLU A 94 -2.338 -16.415 10.865 1.00 12.04 C ATOM 1353 OE1 GLU A 94 -1.355 -17.160 10.695 1.00 52.10 O ATOM 1354 OE2 GLU A 94 -2.978 -16.399 11.933 1.00 33.45 O ATOM 0 H GLU A 94 -2.086 -14.712 7.349 1.00 51.50 H new ATOM 0 HA GLU A 94 -3.252 -12.817 8.981 1.00 40.34 H new ATOM 0 HB2 GLU A 94 -0.840 -14.573 9.567 1.00 34.11 H new ATOM 0 HB3 GLU A 94 -1.872 -13.829 10.773 1.00 34.11 H new ATOM 0 HG2 GLU A 94 -3.781 -15.182 9.905 1.00 33.21 H new ATOM 0 HG3 GLU A 94 -2.672 -15.982 8.809 1.00 33.21 H new ATOM 1361 N ASN A 95 -0.009 -12.312 8.472 1.00 31.10 N ATOM 1362 CA ASN A 95 1.087 -11.333 8.602 1.00 3.31 C ATOM 1363 C ASN A 95 0.806 -10.109 7.775 1.00 72.12 C ATOM 1364 O ASN A 95 1.149 -8.984 8.158 1.00 63.52 O ATOM 1365 CB ASN A 95 2.444 -11.945 8.209 1.00 2.12 C ATOM 1366 CG ASN A 95 2.975 -13.001 9.188 1.00 33.20 C ATOM 1367 OD1 ASN A 95 4.177 -13.190 9.305 1.00 13.23 O ATOM 1368 ND2 ASN A 95 2.105 -13.677 9.898 1.00 44.55 N ATOM 0 H ASN A 95 0.257 -13.182 8.011 1.00 31.10 H new ATOM 0 HA ASN A 95 1.144 -11.043 9.651 1.00 3.31 H new ATOM 0 HB2 ASN A 95 2.352 -12.397 7.222 1.00 2.12 H new ATOM 0 HB3 ASN A 95 3.179 -11.144 8.125 1.00 2.12 H new ATOM 0 HD21 ASN A 95 2.426 -14.378 10.565 1.00 44.55 H new ATOM 0 HD22 ASN A 95 1.107 -13.502 9.783 1.00 44.55 H new ATOM 1374 N LEU A 96 0.161 -10.323 6.654 1.00 45.22 N ATOM 1375 CA LEU A 96 -0.212 -9.246 5.780 1.00 5.21 C ATOM 1376 C LEU A 96 -1.310 -8.417 6.451 1.00 31.32 C ATOM 1377 O LEU A 96 -1.273 -7.187 6.431 1.00 22.00 O ATOM 1378 CB LEU A 96 -0.681 -9.811 4.432 1.00 2.14 C ATOM 1379 CG LEU A 96 -1.046 -8.798 3.348 1.00 25.12 C ATOM 1380 CD1 LEU A 96 0.148 -7.921 3.008 1.00 11.13 C ATOM 1381 CD2 LEU A 96 -1.538 -9.519 2.107 1.00 13.33 C ATOM 0 H LEU A 96 -0.118 -11.248 6.326 1.00 45.22 H new ATOM 0 HA LEU A 96 0.645 -8.599 5.591 1.00 5.21 H new ATOM 0 HB2 LEU A 96 0.106 -10.456 4.042 1.00 2.14 H new ATOM 0 HB3 LEU A 96 -1.551 -10.443 4.613 1.00 2.14 H new ATOM 0 HG LEU A 96 -1.844 -8.159 3.726 1.00 25.12 H new ATOM 0 HD11 LEU A 96 -0.134 -7.207 2.234 1.00 11.13 H new ATOM 0 HD12 LEU A 96 0.469 -7.382 3.899 1.00 11.13 H new ATOM 0 HD13 LEU A 96 0.966 -8.544 2.646 1.00 11.13 H new ATOM 0 HD21 LEU A 96 -1.796 -8.789 1.340 1.00 13.33 H new ATOM 0 HD22 LEU A 96 -0.753 -10.176 1.733 1.00 13.33 H new ATOM 0 HD23 LEU A 96 -2.419 -10.111 2.355 1.00 13.33 H new ATOM 1389 N GLN A 97 -2.258 -9.110 7.081 1.00 15.54 N ATOM 1390 CA GLN A 97 -3.343 -8.483 7.811 1.00 12.14 C ATOM 1391 C GLN A 97 -2.807 -7.643 8.963 1.00 32.15 C ATOM 1392 O GLN A 97 -3.258 -6.530 9.178 1.00 31.32 O ATOM 1393 CB GLN A 97 -4.314 -9.539 8.344 1.00 11.32 C ATOM 1394 CG GLN A 97 -5.482 -8.968 9.116 1.00 51.40 C ATOM 1395 CD GLN A 97 -6.423 -10.029 9.643 1.00 13.44 C ATOM 1396 OE1 GLN A 97 -6.019 -11.156 9.935 1.00 53.42 O ATOM 1397 NE2 GLN A 97 -7.676 -9.687 9.765 1.00 33.24 N ATOM 0 H GLN A 97 -2.289 -10.129 7.095 1.00 15.54 H new ATOM 0 HA GLN A 97 -3.877 -7.829 7.122 1.00 12.14 H new ATOM 0 HB2 GLN A 97 -4.696 -10.122 7.506 1.00 11.32 H new ATOM 0 HB3 GLN A 97 -3.768 -10.228 8.989 1.00 11.32 H new ATOM 0 HG2 GLN A 97 -5.104 -8.379 9.952 1.00 51.40 H new ATOM 0 HG3 GLN A 97 -6.037 -8.287 8.471 1.00 51.40 H new ATOM 0 HE21 GLN A 97 -7.974 -8.745 9.513 1.00 33.24 H new ATOM 0 HE22 GLN A 97 -8.357 -10.362 10.112 1.00 33.24 H new ATOM 1405 N LYS A 98 -1.829 -8.175 9.687 1.00 22.42 N ATOM 1406 CA LYS A 98 -1.236 -7.455 10.816 1.00 32.21 C ATOM 1407 C LYS A 98 -0.561 -6.183 10.334 1.00 74.54 C ATOM 1408 O LYS A 98 -0.554 -5.166 11.028 1.00 52.41 O ATOM 1409 CB LYS A 98 -0.235 -8.334 11.575 1.00 52.04 C ATOM 1410 CG LYS A 98 -0.821 -9.649 12.061 1.00 3.15 C ATOM 1411 CD LYS A 98 -2.042 -9.443 12.940 1.00 22.42 C ATOM 1412 CE LYS A 98 -2.657 -10.773 13.331 1.00 54.21 C ATOM 1413 NZ LYS A 98 -3.854 -10.605 14.165 1.00 71.02 N ATOM 0 H LYS A 98 -1.429 -9.098 9.516 1.00 22.42 H new ATOM 0 HA LYS A 98 -2.039 -7.191 11.504 1.00 32.21 H new ATOM 0 HB2 LYS A 98 0.616 -8.543 10.926 1.00 52.04 H new ATOM 0 HB3 LYS A 98 0.146 -7.778 12.431 1.00 52.04 H new ATOM 0 HG2 LYS A 98 -1.093 -10.263 11.202 1.00 3.15 H new ATOM 0 HG3 LYS A 98 -0.063 -10.199 12.619 1.00 3.15 H new ATOM 0 HD2 LYS A 98 -1.761 -8.890 13.836 1.00 22.42 H new ATOM 0 HD3 LYS A 98 -2.779 -8.839 12.411 1.00 22.42 H new ATOM 0 HE2 LYS A 98 -2.918 -11.330 12.431 1.00 54.21 H new ATOM 0 HE3 LYS A 98 -1.920 -11.368 13.871 1.00 54.21 H new ATOM 0 HZ1 LYS A 98 -4.241 -11.539 14.409 1.00 71.02 H new ATOM 0 HZ2 LYS A 98 -3.601 -10.097 15.037 1.00 71.02 H new ATOM 0 HZ3 LYS A 98 -4.568 -10.060 13.641 1.00 71.02 H new ATOM 1427 N SER A 99 -0.026 -6.240 9.138 1.00 4.34 N ATOM 1428 CA SER A 99 0.600 -5.102 8.534 1.00 71.43 C ATOM 1429 C SER A 99 -0.479 -4.068 8.099 1.00 72.15 C ATOM 1430 O SER A 99 -0.279 -2.851 8.223 1.00 54.12 O ATOM 1431 CB SER A 99 1.472 -5.567 7.366 1.00 31.43 C ATOM 1432 OG SER A 99 2.445 -6.500 7.818 1.00 75.41 O ATOM 0 H SER A 99 -0.015 -7.081 8.560 1.00 4.34 H new ATOM 0 HA SER A 99 1.248 -4.600 9.252 1.00 71.43 H new ATOM 0 HB2 SER A 99 0.849 -6.025 6.598 1.00 31.43 H new ATOM 0 HB3 SER A 99 1.965 -4.710 6.908 1.00 31.43 H new ATOM 0 HG SER A 99 2.024 -7.375 7.947 1.00 75.41 H new ATOM 1438 N LEU A 100 -1.630 -4.567 7.623 1.00 70.32 N ATOM 1439 CA LEU A 100 -2.778 -3.709 7.264 1.00 61.34 C ATOM 1440 C LEU A 100 -3.241 -2.973 8.517 1.00 44.22 C ATOM 1441 O LEU A 100 -3.476 -1.754 8.508 1.00 51.40 O ATOM 1442 CB LEU A 100 -3.955 -4.563 6.741 1.00 25.33 C ATOM 1443 CG LEU A 100 -3.706 -5.457 5.517 1.00 43.35 C ATOM 1444 CD1 LEU A 100 -4.955 -6.263 5.193 1.00 42.25 C ATOM 1445 CD2 LEU A 100 -3.299 -4.633 4.315 1.00 4.00 C ATOM 0 H LEU A 100 -1.794 -5.563 7.476 1.00 70.32 H new ATOM 0 HA LEU A 100 -2.469 -3.011 6.486 1.00 61.34 H new ATOM 0 HB2 LEU A 100 -4.294 -5.201 7.557 1.00 25.33 H new ATOM 0 HB3 LEU A 100 -4.777 -3.888 6.501 1.00 25.33 H new ATOM 0 HG LEU A 100 -2.890 -6.139 5.757 1.00 43.35 H new ATOM 0 HD11 LEU A 100 -4.766 -6.893 4.324 1.00 42.25 H new ATOM 0 HD12 LEU A 100 -5.215 -6.890 6.046 1.00 42.25 H new ATOM 0 HD13 LEU A 100 -5.780 -5.584 4.977 1.00 42.25 H new ATOM 0 HD21 LEU A 100 -3.129 -5.291 3.463 1.00 4.00 H new ATOM 0 HD22 LEU A 100 -4.092 -3.925 4.074 1.00 4.00 H new ATOM 0 HD23 LEU A 100 -2.382 -4.088 4.541 1.00 4.00 H new ATOM 1453 N GLU A 101 -3.333 -3.742 9.590 1.00 62.15 N ATOM 1454 CA GLU A 101 -3.730 -3.268 10.927 1.00 1.12 C ATOM 1455 C GLU A 101 -2.769 -2.205 11.438 1.00 21.20 C ATOM 1456 O GLU A 101 -3.146 -1.300 12.193 1.00 23.00 O ATOM 1457 CB GLU A 101 -3.760 -4.452 11.900 1.00 55.31 C ATOM 1458 CG GLU A 101 -4.913 -5.424 11.689 1.00 30.53 C ATOM 1459 CD GLU A 101 -6.229 -4.897 12.222 1.00 61.34 C ATOM 1460 OE1 GLU A 101 -6.941 -4.166 11.523 1.00 14.30 O ATOM 1461 OE2 GLU A 101 -6.574 -5.235 13.374 1.00 32.20 O ATOM 0 H GLU A 101 -3.130 -4.741 9.565 1.00 62.15 H new ATOM 0 HA GLU A 101 -4.722 -2.823 10.856 1.00 1.12 H new ATOM 0 HB2 GLU A 101 -2.821 -4.999 11.813 1.00 55.31 H new ATOM 0 HB3 GLU A 101 -3.811 -4.066 12.918 1.00 55.31 H new ATOM 0 HG2 GLU A 101 -5.015 -5.634 10.624 1.00 30.53 H new ATOM 0 HG3 GLU A 101 -4.680 -6.369 12.179 1.00 30.53 H new ATOM 1468 N ALA A 102 -1.545 -2.303 11.014 1.00 21.43 N ATOM 1469 CA ALA A 102 -0.545 -1.371 11.413 1.00 25.02 C ATOM 1470 C ALA A 102 -0.703 -0.033 10.688 1.00 71.13 C ATOM 1471 O ALA A 102 -0.686 1.030 11.319 1.00 11.01 O ATOM 1472 CB ALA A 102 0.843 -1.956 11.216 1.00 71.21 C ATOM 0 H ALA A 102 -1.216 -3.033 10.382 1.00 21.43 H new ATOM 0 HA ALA A 102 -0.675 -1.172 12.477 1.00 25.02 H new ATOM 0 HB1 ALA A 102 1.592 -1.228 11.527 1.00 71.21 H new ATOM 0 HB2 ALA A 102 0.945 -2.860 11.816 1.00 71.21 H new ATOM 0 HB3 ALA A 102 0.989 -2.200 10.164 1.00 71.21 H new ATOM 1478 N MET A 103 -0.908 -0.070 9.366 1.00 25.11 N ATOM 1479 CA MET A 103 -0.990 1.171 8.618 1.00 23.12 C ATOM 1480 C MET A 103 -2.274 1.938 8.878 1.00 45.42 C ATOM 1481 O MET A 103 -2.271 3.167 8.855 1.00 15.41 O ATOM 1482 CB MET A 103 -0.713 1.001 7.129 1.00 43.33 C ATOM 1483 CG MET A 103 -1.642 0.104 6.395 1.00 54.12 C ATOM 1484 SD MET A 103 -1.205 -0.005 4.657 1.00 41.30 S ATOM 1485 CE MET A 103 -2.451 -1.126 4.098 1.00 22.24 C ATOM 0 H MET A 103 -1.016 -0.921 8.814 1.00 25.11 H new ATOM 0 HA MET A 103 -0.179 1.787 9.006 1.00 23.12 H new ATOM 0 HB2 MET A 103 -0.741 1.984 6.659 1.00 43.33 H new ATOM 0 HB3 MET A 103 0.301 0.619 7.009 1.00 43.33 H new ATOM 0 HG2 MET A 103 -1.619 -0.890 6.841 1.00 54.12 H new ATOM 0 HG3 MET A 103 -2.662 0.474 6.493 1.00 54.12 H new ATOM 0 HE1 MET A 103 -2.050 -1.746 3.296 1.00 22.24 H new ATOM 0 HE2 MET A 103 -2.766 -1.762 4.925 1.00 22.24 H new ATOM 0 HE3 MET A 103 -3.307 -0.563 3.727 1.00 22.24 H new ATOM 1495 N LYS A 104 -3.366 1.228 9.131 1.00 75.43 N ATOM 1496 CA LYS A 104 -4.631 1.880 9.466 1.00 64.31 C ATOM 1497 C LYS A 104 -4.499 2.707 10.736 1.00 14.34 C ATOM 1498 O LYS A 104 -4.958 3.849 10.794 1.00 35.00 O ATOM 1499 CB LYS A 104 -5.754 0.869 9.576 1.00 71.44 C ATOM 1500 CG LYS A 104 -5.512 -0.226 10.569 1.00 20.34 C ATOM 1501 CD LYS A 104 -6.692 -1.141 10.680 1.00 25.22 C ATOM 1502 CE LYS A 104 -7.898 -0.372 11.082 1.00 1.24 C ATOM 1503 NZ LYS A 104 -9.017 -1.272 11.463 1.00 10.23 N ATOM 0 H LYS A 104 -3.405 0.209 9.112 1.00 75.43 H new ATOM 0 HA LYS A 104 -4.883 2.562 8.654 1.00 64.31 H new ATOM 0 HB2 LYS A 104 -6.671 1.392 9.848 1.00 71.44 H new ATOM 0 HB3 LYS A 104 -5.921 0.422 8.596 1.00 71.44 H new ATOM 0 HG2 LYS A 104 -4.633 -0.799 10.273 1.00 20.34 H new ATOM 0 HG3 LYS A 104 -5.295 0.209 11.545 1.00 20.34 H new ATOM 0 HD2 LYS A 104 -6.869 -1.637 9.725 1.00 25.22 H new ATOM 0 HD3 LYS A 104 -6.489 -1.922 11.412 1.00 25.22 H new ATOM 0 HE2 LYS A 104 -7.652 0.279 11.921 1.00 1.24 H new ATOM 0 HE3 LYS A 104 -8.211 0.271 10.260 1.00 1.24 H new ATOM 0 HZ1 LYS A 104 -9.734 -0.731 11.987 1.00 10.23 H new ATOM 0 HZ2 LYS A 104 -9.445 -1.676 10.606 1.00 10.23 H new ATOM 0 HZ3 LYS A 104 -8.656 -2.040 12.064 1.00 10.23 H new ATOM 1517 N SER A 105 -3.833 2.139 11.721 1.00 65.43 N ATOM 1518 CA SER A 105 -3.572 2.807 12.983 1.00 12.12 C ATOM 1519 C SER A 105 -2.726 4.093 12.772 1.00 64.55 C ATOM 1520 O SER A 105 -2.882 5.086 13.493 1.00 23.12 O ATOM 1521 CB SER A 105 -2.868 1.829 13.928 1.00 4.14 C ATOM 1522 OG SER A 105 -3.660 0.657 14.103 1.00 51.44 O ATOM 0 H SER A 105 -3.454 1.193 11.669 1.00 65.43 H new ATOM 0 HA SER A 105 -4.517 3.118 13.428 1.00 12.12 H new ATOM 0 HB2 SER A 105 -1.892 1.560 13.524 1.00 4.14 H new ATOM 0 HB3 SER A 105 -2.693 2.306 14.892 1.00 4.14 H new ATOM 0 HG SER A 105 -3.428 -0.001 13.414 1.00 51.44 H new ATOM 1528 N HIS A 106 -1.851 4.062 11.775 1.00 53.02 N ATOM 1529 CA HIS A 106 -1.033 5.225 11.422 1.00 44.53 C ATOM 1530 C HIS A 106 -1.874 6.283 10.710 1.00 2.54 C ATOM 1531 O HIS A 106 -1.781 7.474 11.018 1.00 24.24 O ATOM 1532 CB HIS A 106 0.160 4.801 10.522 1.00 43.23 C ATOM 1533 CG HIS A 106 1.012 5.952 10.019 1.00 74.33 C ATOM 1534 ND1 HIS A 106 0.821 6.548 8.786 1.00 34.33 N ATOM 1535 CD2 HIS A 106 2.051 6.615 10.583 1.00 51.42 C ATOM 1536 CE1 HIS A 106 1.686 7.511 8.626 1.00 64.54 C ATOM 1537 NE2 HIS A 106 2.445 7.579 9.691 1.00 44.15 N ATOM 0 H HIS A 106 -1.686 3.242 11.191 1.00 53.02 H new ATOM 0 HA HIS A 106 -0.642 5.654 12.345 1.00 44.53 H new ATOM 0 HB2 HIS A 106 0.795 4.114 11.082 1.00 43.23 H new ATOM 0 HB3 HIS A 106 -0.227 4.250 9.664 1.00 43.23 H new ATOM 0 HD1 HIS A 106 0.112 6.276 8.105 1.00 34.33 H new ATOM 0 HD2 HIS A 106 2.486 6.421 11.552 1.00 51.42 H new ATOM 0 HE1 HIS A 106 1.764 8.148 7.757 1.00 64.54 H new ATOM 1546 N CYS A 107 -2.687 5.839 9.772 1.00 72.33 N ATOM 1547 CA CYS A 107 -3.480 6.727 8.936 1.00 54.11 C ATOM 1548 C CYS A 107 -4.428 7.621 9.732 1.00 54.31 C ATOM 1549 O CYS A 107 -4.339 8.842 9.627 1.00 31.22 O ATOM 1550 CB CYS A 107 -4.225 5.937 7.875 1.00 51.44 C ATOM 1551 SG CYS A 107 -3.148 5.034 6.743 1.00 65.30 S ATOM 0 H CYS A 107 -2.819 4.849 9.565 1.00 72.33 H new ATOM 0 HA CYS A 107 -2.779 7.402 8.445 1.00 54.11 H new ATOM 0 HB2 CYS A 107 -4.894 5.230 8.366 1.00 51.44 H new ATOM 0 HB3 CYS A 107 -4.850 6.620 7.299 1.00 51.44 H new ATOM 0 HG CYS A 107 -2.638 4.007 7.356 1.00 65.30 H new ATOM 1557 N LEU A 108 -5.293 7.031 10.560 1.00 34.01 N ATOM 1558 CA LEU A 108 -6.269 7.828 11.330 1.00 5.41 C ATOM 1559 C LEU A 108 -5.595 8.792 12.297 1.00 45.01 C ATOM 1560 O LEU A 108 -6.108 9.874 12.557 1.00 24.21 O ATOM 1561 CB LEU A 108 -7.317 6.964 12.078 1.00 71.31 C ATOM 1562 CG LEU A 108 -8.388 6.234 11.236 1.00 21.14 C ATOM 1563 CD1 LEU A 108 -7.791 5.179 10.338 1.00 61.41 C ATOM 1564 CD2 LEU A 108 -9.449 5.630 12.135 1.00 4.43 C ATOM 0 H LEU A 108 -5.344 6.025 10.718 1.00 34.01 H new ATOM 0 HA LEU A 108 -6.806 8.411 10.581 1.00 5.41 H new ATOM 0 HB2 LEU A 108 -6.779 6.214 12.658 1.00 71.31 H new ATOM 0 HB3 LEU A 108 -7.833 7.607 12.790 1.00 71.31 H new ATOM 0 HG LEU A 108 -8.851 6.979 10.590 1.00 21.14 H new ATOM 0 HD11 LEU A 108 -8.584 4.695 9.768 1.00 61.41 H new ATOM 0 HD12 LEU A 108 -7.082 5.643 9.652 1.00 61.41 H new ATOM 0 HD13 LEU A 108 -7.275 4.435 10.944 1.00 61.41 H new ATOM 0 HD21 LEU A 108 -10.195 5.120 11.526 1.00 4.43 H new ATOM 0 HD22 LEU A 108 -8.986 4.915 12.815 1.00 4.43 H new ATOM 0 HD23 LEU A 108 -9.930 6.420 12.712 1.00 4.43 H new ATOM 1572 N LYS A 109 -4.440 8.405 12.799 1.00 63.40 N ATOM 1573 CA LYS A 109 -3.701 9.218 13.738 1.00 61.10 C ATOM 1574 C LYS A 109 -3.017 10.402 13.033 1.00 53.35 C ATOM 1575 O LYS A 109 -2.837 11.463 13.617 1.00 71.23 O ATOM 1576 CB LYS A 109 -2.695 8.337 14.476 1.00 4.30 C ATOM 1577 CG LYS A 109 -1.852 9.047 15.521 1.00 75.22 C ATOM 1578 CD LYS A 109 -1.025 8.050 16.319 1.00 71.45 C ATOM 1579 CE LYS A 109 -0.053 7.267 15.445 1.00 1.12 C ATOM 1580 NZ LYS A 109 0.703 6.265 16.227 1.00 20.21 N ATOM 0 H LYS A 109 -3.990 7.520 12.567 1.00 63.40 H new ATOM 0 HA LYS A 109 -4.390 9.648 14.465 1.00 61.10 H new ATOM 0 HB2 LYS A 109 -3.236 7.524 14.961 1.00 4.30 H new ATOM 0 HB3 LYS A 109 -2.028 7.883 13.743 1.00 4.30 H new ATOM 0 HG2 LYS A 109 -1.193 9.766 15.035 1.00 75.22 H new ATOM 0 HG3 LYS A 109 -2.498 9.611 16.194 1.00 75.22 H new ATOM 0 HD2 LYS A 109 -0.468 8.581 17.091 1.00 71.45 H new ATOM 0 HD3 LYS A 109 -1.692 7.354 16.828 1.00 71.45 H new ATOM 0 HE2 LYS A 109 -0.603 6.767 14.648 1.00 1.12 H new ATOM 0 HE3 LYS A 109 0.643 7.957 14.968 1.00 1.12 H new ATOM 0 HZ1 LYS A 109 1.354 5.753 15.598 1.00 20.21 H new ATOM 0 HZ2 LYS A 109 1.248 6.745 16.972 1.00 20.21 H new ATOM 0 HZ3 LYS A 109 0.040 5.592 16.662 1.00 20.21 H new ATOM 1594 N ASN A 110 -2.644 10.209 11.777 1.00 44.33 N ATOM 1595 CA ASN A 110 -1.999 11.284 10.989 1.00 21.22 C ATOM 1596 C ASN A 110 -3.007 12.093 10.191 1.00 25.33 C ATOM 1597 O ASN A 110 -2.672 13.134 9.634 1.00 51.13 O ATOM 1598 CB ASN A 110 -0.917 10.748 10.027 1.00 14.12 C ATOM 1599 CG ASN A 110 0.355 10.255 10.700 1.00 32.15 C ATOM 1600 OD1 ASN A 110 0.250 9.731 11.885 1.00 42.33 O flip ATOM 1601 ND2 ASN A 110 1.434 10.338 10.130 1.00 61.44 N flip ATOM 0 H ASN A 110 -2.769 9.331 11.272 1.00 44.33 H new ATOM 0 HA ASN A 110 -1.523 11.930 11.726 1.00 21.22 H new ATOM 0 HB2 ASN A 110 -1.342 9.930 9.445 1.00 14.12 H new ATOM 0 HB3 ASN A 110 -0.655 11.538 9.323 1.00 14.12 H new ATOM 0 HD21 ASN A 110 1.489 10.754 9.200 1.00 61.44 H new ATOM 0 HD22 ASN A 110 2.279 9.992 10.584 1.00 61.44 H new ATOM 1607 N GLY A 111 -4.228 11.612 10.119 1.00 61.41 N ATOM 1608 CA GLY A 111 -5.245 12.303 9.356 1.00 73.43 C ATOM 1609 C GLY A 111 -5.194 11.924 7.890 1.00 0.14 C ATOM 1610 O GLY A 111 -5.703 12.643 7.035 1.00 61.03 O ATOM 0 H GLY A 111 -4.540 10.754 10.574 1.00 61.41 H new ATOM 0 HA2 GLY A 111 -6.229 12.065 9.760 1.00 73.43 H new ATOM 0 HA3 GLY A 111 -5.110 13.380 9.459 1.00 73.43 H new ATOM 1614 N VAL A 112 -4.570 10.793 7.611 1.00 11.12 N ATOM 1615 CA VAL A 112 -4.449 10.275 6.262 1.00 42.33 C ATOM 1616 C VAL A 112 -5.588 9.316 6.034 1.00 22.15 C ATOM 1617 O VAL A 112 -5.724 8.329 6.743 1.00 74.53 O ATOM 1618 CB VAL A 112 -3.092 9.536 6.045 1.00 31.24 C ATOM 1619 CG1 VAL A 112 -2.980 8.991 4.617 1.00 34.43 C ATOM 1620 CG2 VAL A 112 -1.934 10.471 6.342 1.00 0.42 C ATOM 0 H VAL A 112 -4.131 10.205 8.320 1.00 11.12 H new ATOM 0 HA VAL A 112 -4.482 11.105 5.557 1.00 42.33 H new ATOM 0 HB VAL A 112 -3.053 8.691 6.732 1.00 31.24 H new ATOM 0 HG11 VAL A 112 -2.024 8.481 4.496 1.00 34.43 H new ATOM 0 HG12 VAL A 112 -3.792 8.288 4.431 1.00 34.43 H new ATOM 0 HG13 VAL A 112 -3.044 9.815 3.907 1.00 34.43 H new ATOM 0 HG21 VAL A 112 -0.992 9.944 6.187 1.00 0.42 H new ATOM 0 HG22 VAL A 112 -1.982 11.332 5.676 1.00 0.42 H new ATOM 0 HG23 VAL A 112 -1.995 10.809 7.377 1.00 0.42 H new ATOM 1626 N THR A 113 -6.414 9.614 5.089 1.00 24.11 N ATOM 1627 CA THR A 113 -7.568 8.810 4.852 1.00 25.34 C ATOM 1628 C THR A 113 -7.539 8.096 3.507 1.00 13.53 C ATOM 1629 O THR A 113 -8.393 7.281 3.231 1.00 34.30 O ATOM 1630 CB THR A 113 -8.850 9.645 4.988 1.00 62.01 C ATOM 1631 OG1 THR A 113 -8.769 10.808 4.141 1.00 4.24 O ATOM 1632 CG2 THR A 113 -9.067 10.078 6.426 1.00 41.53 C ATOM 0 H THR A 113 -6.312 10.413 4.464 1.00 24.11 H new ATOM 0 HA THR A 113 -7.560 8.033 5.617 1.00 25.34 H new ATOM 0 HB THR A 113 -9.693 9.026 4.682 1.00 62.01 H new ATOM 0 HG1 THR A 113 -9.590 11.336 4.231 1.00 4.24 H new ATOM 0 HG21 THR A 113 -9.981 10.668 6.494 1.00 41.53 H new ATOM 0 HG22 THR A 113 -9.155 9.197 7.062 1.00 41.53 H new ATOM 0 HG23 THR A 113 -8.221 10.681 6.756 1.00 41.53 H new ATOM 1638 N ASP A 114 -6.576 8.388 2.674 1.00 13.31 N ATOM 1639 CA ASP A 114 -6.536 7.738 1.368 1.00 3.33 C ATOM 1640 C ASP A 114 -5.350 6.849 1.260 1.00 43.23 C ATOM 1641 O ASP A 114 -4.211 7.269 1.520 1.00 20.41 O ATOM 1642 CB ASP A 114 -6.578 8.738 0.214 1.00 55.43 C ATOM 1643 CG ASP A 114 -7.844 9.556 0.209 1.00 31.14 C ATOM 1644 OD1 ASP A 114 -7.918 10.566 0.944 1.00 53.30 O ATOM 1645 OD2 ASP A 114 -8.797 9.200 -0.505 1.00 64.10 O ATOM 0 H ASP A 114 -5.823 9.051 2.857 1.00 13.31 H new ATOM 0 HA ASP A 114 -7.437 7.130 1.287 1.00 3.33 H new ATOM 0 HB2 ASP A 114 -5.718 9.404 0.283 1.00 55.43 H new ATOM 0 HB3 ASP A 114 -6.491 8.202 -0.731 1.00 55.43 H new ATOM 1650 N LEU A 115 -5.599 5.634 0.885 1.00 72.10 N ATOM 1651 CA LEU A 115 -4.582 4.631 0.821 1.00 20.33 C ATOM 1652 C LEU A 115 -4.708 3.975 -0.559 1.00 55.51 C ATOM 1653 O LEU A 115 -5.810 3.551 -0.946 1.00 43.43 O ATOM 1654 CB LEU A 115 -4.888 3.593 1.921 1.00 2.14 C ATOM 1655 CG LEU A 115 -3.752 2.706 2.464 1.00 61.23 C ATOM 1656 CD1 LEU A 115 -2.971 2.028 1.376 1.00 64.25 C ATOM 1657 CD2 LEU A 115 -2.854 3.482 3.389 1.00 54.53 C ATOM 0 H LEU A 115 -6.525 5.306 0.611 1.00 72.10 H new ATOM 0 HA LEU A 115 -3.580 5.034 0.965 1.00 20.33 H new ATOM 0 HB2 LEU A 115 -5.316 4.130 2.767 1.00 2.14 H new ATOM 0 HB3 LEU A 115 -5.665 2.931 1.538 1.00 2.14 H new ATOM 0 HG LEU A 115 -4.224 1.910 3.040 1.00 61.23 H new ATOM 0 HD11 LEU A 115 -2.185 1.417 1.819 1.00 64.25 H new ATOM 0 HD12 LEU A 115 -3.637 1.394 0.791 1.00 64.25 H new ATOM 0 HD13 LEU A 115 -2.523 2.780 0.726 1.00 64.25 H new ATOM 0 HD21 LEU A 115 -2.061 2.831 3.757 1.00 54.53 H new ATOM 0 HD22 LEU A 115 -2.414 4.321 2.850 1.00 54.53 H new ATOM 0 HD23 LEU A 115 -3.436 3.857 4.231 1.00 54.53 H new ATOM 1665 N SER A 116 -3.629 3.906 -1.292 1.00 52.34 N ATOM 1666 CA SER A 116 -3.662 3.336 -2.606 1.00 4.12 C ATOM 1667 C SER A 116 -2.575 2.299 -2.785 1.00 44.32 C ATOM 1668 O SER A 116 -1.387 2.570 -2.554 1.00 34.52 O ATOM 1669 CB SER A 116 -3.516 4.448 -3.622 1.00 22.11 C ATOM 1670 OG SER A 116 -4.498 5.433 -3.379 1.00 42.31 O ATOM 0 H SER A 116 -2.712 4.241 -0.996 1.00 52.34 H new ATOM 0 HA SER A 116 -4.615 2.827 -2.751 1.00 4.12 H new ATOM 0 HB2 SER A 116 -2.520 4.887 -3.558 1.00 22.11 H new ATOM 0 HB3 SER A 116 -3.625 4.051 -4.631 1.00 22.11 H new ATOM 0 HG SER A 116 -4.721 5.887 -4.219 1.00 42.31 H new ATOM 1676 N MET A 117 -2.970 1.121 -3.180 1.00 51.23 N ATOM 1677 CA MET A 117 -2.037 0.066 -3.443 1.00 31.34 C ATOM 1678 C MET A 117 -2.411 -0.576 -4.772 1.00 0.03 C ATOM 1679 O MET A 117 -3.526 -0.369 -5.268 1.00 62.32 O ATOM 1680 CB MET A 117 -2.040 -1.031 -2.322 1.00 63.41 C ATOM 1681 CG MET A 117 -3.274 -1.939 -2.285 1.00 42.21 C ATOM 1682 SD MET A 117 -4.726 -1.153 -1.604 1.00 63.40 S ATOM 1683 CE MET A 117 -4.220 -0.994 0.103 1.00 65.31 C ATOM 0 H MET A 117 -3.947 0.867 -3.328 1.00 51.23 H new ATOM 0 HA MET A 117 -1.035 0.495 -3.471 1.00 31.34 H new ATOM 0 HB2 MET A 117 -1.156 -1.656 -2.448 1.00 63.41 H new ATOM 0 HB3 MET A 117 -1.946 -0.537 -1.355 1.00 63.41 H new ATOM 0 HG2 MET A 117 -3.496 -2.276 -3.297 1.00 42.21 H new ATOM 0 HG3 MET A 117 -3.043 -2.827 -1.696 1.00 42.21 H new ATOM 0 HE1 MET A 117 -4.870 -0.281 0.610 1.00 65.31 H new ATOM 0 HE2 MET A 117 -4.290 -1.964 0.595 1.00 65.31 H new ATOM 0 HE3 MET A 117 -3.190 -0.639 0.146 1.00 65.31 H new ATOM 1693 N PRO A 118 -1.496 -1.314 -5.389 1.00 31.11 N ATOM 1694 CA PRO A 118 -1.806 -2.095 -6.569 1.00 52.23 C ATOM 1695 C PRO A 118 -2.377 -3.435 -6.120 1.00 34.21 C ATOM 1696 O PRO A 118 -2.712 -3.610 -4.937 1.00 44.33 O ATOM 1697 CB PRO A 118 -0.430 -2.300 -7.203 1.00 10.12 C ATOM 1698 CG PRO A 118 0.502 -2.351 -6.044 1.00 22.12 C ATOM 1699 CD PRO A 118 -0.078 -1.439 -5.000 1.00 62.11 C ATOM 0 HA PRO A 118 -2.526 -1.633 -7.245 1.00 52.23 H new ATOM 0 HB2 PRO A 118 -0.393 -3.221 -7.785 1.00 10.12 H new ATOM 0 HB3 PRO A 118 -0.178 -1.484 -7.881 1.00 10.12 H new ATOM 0 HG2 PRO A 118 0.595 -3.368 -5.664 1.00 22.12 H new ATOM 0 HG3 PRO A 118 1.501 -2.026 -6.333 1.00 22.12 H new ATOM 0 HD2 PRO A 118 0.027 -1.859 -4.000 1.00 62.11 H new ATOM 0 HD3 PRO A 118 0.422 -0.470 -4.993 1.00 62.11 H new ATOM 1707 N ARG A 119 -2.491 -4.378 -7.011 1.00 53.12 N ATOM 1708 CA ARG A 119 -2.942 -5.673 -6.603 1.00 0.13 C ATOM 1709 C ARG A 119 -1.820 -6.448 -5.935 1.00 44.42 C ATOM 1710 O ARG A 119 -1.087 -7.198 -6.575 1.00 75.24 O ATOM 1711 CB ARG A 119 -3.591 -6.469 -7.733 1.00 2.31 C ATOM 1712 CG ARG A 119 -4.871 -5.846 -8.261 1.00 4.00 C ATOM 1713 CD ARG A 119 -5.545 -6.742 -9.276 1.00 43.14 C ATOM 1714 NE ARG A 119 -6.782 -6.144 -9.795 1.00 3.32 N ATOM 1715 CZ ARG A 119 -7.852 -6.841 -10.211 1.00 63.34 C ATOM 1716 NH1 ARG A 119 -7.882 -8.171 -10.101 1.00 1.14 N ATOM 1717 NH2 ARG A 119 -8.891 -6.204 -10.731 1.00 24.21 N ATOM 0 H ARG A 119 -2.282 -4.277 -8.004 1.00 53.12 H new ATOM 0 HA ARG A 119 -3.732 -5.514 -5.868 1.00 0.13 H new ATOM 0 HB2 ARG A 119 -2.879 -6.566 -8.553 1.00 2.31 H new ATOM 0 HB3 ARG A 119 -3.807 -7.477 -7.378 1.00 2.31 H new ATOM 0 HG2 ARG A 119 -5.553 -5.655 -7.432 1.00 4.00 H new ATOM 0 HG3 ARG A 119 -4.647 -4.882 -8.717 1.00 4.00 H new ATOM 0 HD2 ARG A 119 -4.860 -6.935 -10.102 1.00 43.14 H new ATOM 0 HD3 ARG A 119 -5.771 -7.705 -8.818 1.00 43.14 H new ATOM 0 HE ARG A 119 -6.832 -5.126 -9.843 1.00 3.32 H new ATOM 0 HH11 ARG A 119 -7.087 -8.667 -9.698 1.00 1.14 H new ATOM 0 HH12 ARG A 119 -8.700 -8.691 -10.420 1.00 1.14 H new ATOM 0 HH21 ARG A 119 -8.876 -5.188 -10.814 1.00 24.21 H new ATOM 0 HH22 ARG A 119 -9.705 -6.730 -11.048 1.00 24.21 H new ATOM 1729 N ILE A 120 -1.641 -6.191 -4.666 1.00 32.35 N ATOM 1730 CA ILE A 120 -0.656 -6.869 -3.882 1.00 41.11 C ATOM 1731 C ILE A 120 -1.206 -8.194 -3.427 1.00 24.24 C ATOM 1732 O ILE A 120 -2.243 -8.264 -2.782 1.00 52.12 O ATOM 1733 CB ILE A 120 -0.158 -6.020 -2.674 1.00 61.30 C ATOM 1734 CG1 ILE A 120 -1.333 -5.557 -1.783 1.00 21.24 C ATOM 1735 CG2 ILE A 120 0.649 -4.832 -3.171 1.00 13.11 C ATOM 1736 CD1 ILE A 120 -0.914 -4.761 -0.561 1.00 12.25 C ATOM 0 H ILE A 120 -2.182 -5.499 -4.148 1.00 32.35 H new ATOM 0 HA ILE A 120 0.218 -7.034 -4.512 1.00 41.11 H new ATOM 0 HB ILE A 120 0.485 -6.649 -2.058 1.00 61.30 H new ATOM 0 HG12 ILE A 120 -2.011 -4.950 -2.383 1.00 21.24 H new ATOM 0 HG13 ILE A 120 -1.894 -6.433 -1.457 1.00 21.24 H new ATOM 0 HG21 ILE A 120 0.993 -4.244 -2.320 1.00 13.11 H new ATOM 0 HG22 ILE A 120 1.509 -5.188 -3.738 1.00 13.11 H new ATOM 0 HG23 ILE A 120 0.024 -4.210 -3.812 1.00 13.11 H new ATOM 0 HD11 ILE A 120 -1.799 -4.476 0.008 1.00 12.25 H new ATOM 0 HD12 ILE A 120 -0.261 -5.370 0.064 1.00 12.25 H new ATOM 0 HD13 ILE A 120 -0.381 -3.864 -0.876 1.00 12.25 H new ATOM 1743 N GLY A 121 -0.535 -9.225 -3.783 1.00 62.41 N ATOM 1744 CA GLY A 121 -1.014 -10.521 -3.474 1.00 4.12 C ATOM 1745 C GLY A 121 -1.427 -11.238 -4.714 1.00 32.40 C ATOM 1746 O GLY A 121 -2.543 -11.705 -4.811 1.00 24.10 O ATOM 0 H GLY A 121 0.350 -9.198 -4.290 1.00 62.41 H new ATOM 0 HA2 GLY A 121 -0.238 -11.089 -2.961 1.00 4.12 H new ATOM 0 HA3 GLY A 121 -1.860 -10.448 -2.791 1.00 4.12 H new ATOM 1750 N CYS A 122 -0.527 -11.305 -5.686 1.00 24.42 N ATOM 1751 CA CYS A 122 -0.832 -12.001 -6.923 1.00 33.25 C ATOM 1752 C CYS A 122 0.431 -12.441 -7.671 1.00 53.53 C ATOM 1753 O CYS A 122 0.427 -13.474 -8.348 1.00 53.23 O ATOM 1754 CB CYS A 122 -1.732 -11.148 -7.834 1.00 71.10 C ATOM 1755 SG CYS A 122 -1.019 -9.551 -8.309 1.00 75.13 S ATOM 0 H CYS A 122 0.405 -10.892 -5.642 1.00 24.42 H new ATOM 0 HA CYS A 122 -1.376 -12.904 -6.647 1.00 33.25 H new ATOM 0 HB2 CYS A 122 -1.955 -11.715 -8.737 1.00 71.10 H new ATOM 0 HB3 CYS A 122 -2.680 -10.972 -7.326 1.00 71.10 H new ATOM 0 HG CYS A 122 -1.429 -8.631 -7.487 1.00 75.13 H new ATOM 1761 N GLY A 123 1.512 -11.683 -7.532 1.00 1.12 N ATOM 1762 CA GLY A 123 2.724 -12.005 -8.251 1.00 12.32 C ATOM 1763 C GLY A 123 3.719 -12.710 -7.371 1.00 24.34 C ATOM 1764 O GLY A 123 3.521 -13.871 -7.002 1.00 74.23 O ATOM 0 H GLY A 123 1.569 -10.856 -6.937 1.00 1.12 H new ATOM 0 HA2 GLY A 123 2.483 -12.636 -9.107 1.00 12.32 H new ATOM 0 HA3 GLY A 123 3.169 -11.091 -8.644 1.00 12.32 H new ATOM 1768 N LEU A 124 4.768 -11.990 -6.984 1.00 41.15 N ATOM 1769 CA LEU A 124 5.837 -12.522 -6.107 1.00 42.21 C ATOM 1770 C LEU A 124 5.255 -12.916 -4.756 1.00 41.11 C ATOM 1771 O LEU A 124 5.803 -13.741 -4.034 1.00 54.43 O ATOM 1772 CB LEU A 124 6.941 -11.457 -5.848 1.00 24.42 C ATOM 1773 CG LEU A 124 7.821 -10.967 -7.023 1.00 53.44 C ATOM 1774 CD1 LEU A 124 7.017 -10.251 -8.103 1.00 25.51 C ATOM 1775 CD2 LEU A 124 8.921 -10.059 -6.495 1.00 31.51 C ATOM 0 H LEU A 124 4.912 -11.020 -7.263 1.00 41.15 H new ATOM 0 HA LEU A 124 6.270 -13.384 -6.614 1.00 42.21 H new ATOM 0 HB2 LEU A 124 6.455 -10.582 -5.417 1.00 24.42 H new ATOM 0 HB3 LEU A 124 7.609 -11.858 -5.086 1.00 24.42 H new ATOM 0 HG LEU A 124 8.259 -11.849 -7.491 1.00 53.44 H new ATOM 0 HD11 LEU A 124 7.686 -9.930 -8.902 1.00 25.51 H new ATOM 0 HD12 LEU A 124 6.267 -10.930 -8.509 1.00 25.51 H new ATOM 0 HD13 LEU A 124 6.522 -9.381 -7.672 1.00 25.51 H new ATOM 0 HD21 LEU A 124 9.539 -9.716 -7.325 1.00 31.51 H new ATOM 0 HD22 LEU A 124 8.475 -9.199 -5.995 1.00 31.51 H new ATOM 0 HD23 LEU A 124 9.539 -10.610 -5.786 1.00 31.51 H new ATOM 1783 N ASP A 125 4.120 -12.326 -4.475 1.00 34.23 N ATOM 1784 CA ASP A 125 3.409 -12.406 -3.212 1.00 52.22 C ATOM 1785 C ASP A 125 2.979 -13.827 -2.882 1.00 4.14 C ATOM 1786 O ASP A 125 2.775 -14.151 -1.728 1.00 61.11 O ATOM 1787 CB ASP A 125 2.157 -11.558 -3.311 1.00 1.41 C ATOM 1788 CG ASP A 125 2.371 -10.242 -4.027 1.00 45.10 C ATOM 1789 OD1 ASP A 125 2.898 -9.307 -3.442 1.00 61.42 O ATOM 1790 OD2 ASP A 125 1.988 -10.161 -5.233 1.00 2.35 O ATOM 0 H ASP A 125 3.635 -11.742 -5.157 1.00 34.23 H new ATOM 0 HA ASP A 125 4.083 -12.058 -2.430 1.00 52.22 H new ATOM 0 HB2 ASP A 125 1.385 -12.124 -3.832 1.00 1.41 H new ATOM 0 HB3 ASP A 125 1.783 -11.359 -2.307 1.00 1.41 H new ATOM 1795 N ARG A 126 2.809 -14.665 -3.927 1.00 72.03 N ATOM 1796 CA ARG A 126 2.380 -16.075 -3.785 1.00 75.50 C ATOM 1797 C ARG A 126 0.957 -16.196 -3.244 1.00 44.22 C ATOM 1798 O ARG A 126 0.537 -17.273 -2.832 1.00 43.12 O ATOM 1799 CB ARG A 126 3.306 -16.852 -2.865 1.00 14.25 C ATOM 1800 CG ARG A 126 4.746 -16.871 -3.289 1.00 13.43 C ATOM 1801 CD ARG A 126 5.508 -17.727 -2.353 1.00 34.22 C ATOM 1802 NE ARG A 126 6.957 -17.652 -2.550 1.00 3.30 N ATOM 1803 CZ ARG A 126 7.825 -18.632 -2.260 1.00 23.13 C ATOM 1804 NH1 ARG A 126 7.387 -19.833 -1.893 1.00 24.12 N ATOM 1805 NH2 ARG A 126 9.123 -18.410 -2.374 1.00 4.53 N ATOM 0 H ARG A 126 2.965 -14.383 -4.895 1.00 72.03 H new ATOM 0 HA ARG A 126 2.418 -16.496 -4.790 1.00 75.50 H new ATOM 0 HB2 ARG A 126 3.242 -16.425 -1.864 1.00 14.25 H new ATOM 0 HB3 ARG A 126 2.949 -17.879 -2.797 1.00 14.25 H new ATOM 0 HG2 ARG A 126 4.835 -17.252 -4.306 1.00 13.43 H new ATOM 0 HG3 ARG A 126 5.152 -15.859 -3.291 1.00 13.43 H new ATOM 0 HD2 ARG A 126 5.272 -17.435 -1.330 1.00 34.22 H new ATOM 0 HD3 ARG A 126 5.185 -18.761 -2.472 1.00 34.22 H new ATOM 0 HE ARG A 126 7.335 -16.788 -2.938 1.00 3.30 H new ATOM 0 HH11 ARG A 126 6.385 -20.013 -1.831 1.00 24.12 H new ATOM 0 HH12 ARG A 126 8.053 -20.574 -1.674 1.00 24.12 H new ATOM 0 HH21 ARG A 126 9.459 -17.497 -2.681 1.00 4.53 H new ATOM 0 HH22 ARG A 126 9.788 -19.151 -2.155 1.00 4.53 H new ATOM 1817 N LEU A 127 0.206 -15.116 -3.275 1.00 55.33 N ATOM 1818 CA LEU A 127 -1.126 -15.109 -2.697 1.00 32.23 C ATOM 1819 C LEU A 127 -2.153 -14.813 -3.764 1.00 51.13 C ATOM 1820 O LEU A 127 -1.796 -14.422 -4.873 1.00 74.15 O ATOM 1821 CB LEU A 127 -1.218 -14.052 -1.580 1.00 11.22 C ATOM 1822 CG LEU A 127 -0.236 -14.198 -0.407 1.00 63.45 C ATOM 1823 CD1 LEU A 127 -0.427 -13.073 0.595 1.00 11.44 C ATOM 1824 CD2 LEU A 127 -0.396 -15.550 0.279 1.00 55.11 C ATOM 0 H LEU A 127 0.492 -14.231 -3.693 1.00 55.33 H new ATOM 0 HA LEU A 127 -1.325 -16.093 -2.271 1.00 32.23 H new ATOM 0 HB2 LEU A 127 -1.068 -13.070 -2.028 1.00 11.22 H new ATOM 0 HB3 LEU A 127 -2.231 -14.068 -1.179 1.00 11.22 H new ATOM 0 HG LEU A 127 0.775 -14.139 -0.810 1.00 63.45 H new ATOM 0 HD11 LEU A 127 0.278 -13.195 1.418 1.00 11.44 H new ATOM 0 HD12 LEU A 127 -0.251 -12.115 0.105 1.00 11.44 H new ATOM 0 HD13 LEU A 127 -1.445 -13.100 0.983 1.00 11.44 H new ATOM 0 HD21 LEU A 127 0.311 -15.625 1.105 1.00 55.11 H new ATOM 0 HD22 LEU A 127 -1.412 -15.646 0.662 1.00 55.11 H new ATOM 0 HD23 LEU A 127 -0.202 -16.347 -0.438 1.00 55.11 H new ATOM 1832 N GLN A 128 -3.413 -15.052 -3.454 1.00 32.03 N ATOM 1833 CA GLN A 128 -4.511 -14.722 -4.357 1.00 11.03 C ATOM 1834 C GLN A 128 -5.163 -13.409 -3.931 1.00 2.21 C ATOM 1835 O GLN A 128 -5.579 -13.269 -2.763 1.00 12.04 O ATOM 1836 CB GLN A 128 -5.578 -15.822 -4.405 1.00 54.22 C ATOM 1837 CG GLN A 128 -5.233 -17.117 -5.140 1.00 52.15 C ATOM 1838 CD GLN A 128 -4.069 -17.911 -4.558 1.00 64.13 C ATOM 1839 OE1 GLN A 128 -4.255 -18.754 -3.677 1.00 53.03 O ATOM 1840 NE2 GLN A 128 -2.885 -17.696 -5.069 1.00 3.43 N ATOM 0 H GLN A 128 -3.708 -15.478 -2.575 1.00 32.03 H new ATOM 0 HA GLN A 128 -4.084 -14.626 -5.355 1.00 11.03 H new ATOM 0 HB2 GLN A 128 -5.841 -16.079 -3.379 1.00 54.22 H new ATOM 0 HB3 GLN A 128 -6.471 -15.402 -4.867 1.00 54.22 H new ATOM 0 HG2 GLN A 128 -6.117 -17.755 -5.150 1.00 52.15 H new ATOM 0 HG3 GLN A 128 -5.003 -16.875 -6.178 1.00 52.15 H new ATOM 0 HE21 GLN A 128 -2.764 -16.992 -5.797 1.00 3.43 H new ATOM 0 HE22 GLN A 128 -2.082 -18.233 -4.740 1.00 3.43 H new ATOM 1848 N TRP A 129 -5.291 -12.480 -4.865 1.00 14.42 N ATOM 1849 CA TRP A 129 -5.847 -11.148 -4.595 1.00 72.40 C ATOM 1850 C TRP A 129 -7.259 -11.182 -4.084 1.00 54.51 C ATOM 1851 O TRP A 129 -7.611 -10.382 -3.238 1.00 14.24 O ATOM 1852 CB TRP A 129 -5.687 -10.197 -5.802 1.00 32.31 C ATOM 1853 CG TRP A 129 -6.419 -8.885 -5.656 1.00 74.22 C ATOM 1854 CD1 TRP A 129 -7.606 -8.545 -6.244 1.00 0.24 C ATOM 1855 CD2 TRP A 129 -6.034 -7.758 -4.856 1.00 14.44 C ATOM 1856 NE1 TRP A 129 -7.977 -7.288 -5.859 1.00 21.34 N ATOM 1857 CE2 TRP A 129 -7.031 -6.779 -5.012 1.00 42.34 C ATOM 1858 CE3 TRP A 129 -4.951 -7.485 -4.029 1.00 30.20 C ATOM 1859 CZ2 TRP A 129 -6.975 -5.546 -4.368 1.00 54.54 C ATOM 1860 CZ3 TRP A 129 -4.894 -6.260 -3.392 1.00 24.12 C ATOM 1861 CH2 TRP A 129 -5.898 -5.309 -3.562 1.00 32.24 C ATOM 0 H TRP A 129 -5.014 -12.621 -5.836 1.00 14.42 H new ATOM 0 HA TRP A 129 -5.250 -10.738 -3.780 1.00 72.40 H new ATOM 0 HB2 TRP A 129 -4.627 -9.994 -5.953 1.00 32.31 H new ATOM 0 HB3 TRP A 129 -6.045 -10.702 -6.699 1.00 32.31 H new ATOM 0 HD1 TRP A 129 -8.168 -9.178 -6.915 1.00 0.24 H new ATOM 0 HE1 TRP A 129 -8.825 -6.805 -6.156 1.00 21.34 H new ATOM 0 HE3 TRP A 129 -4.169 -8.216 -3.887 1.00 30.20 H new ATOM 0 HZ2 TRP A 129 -7.751 -4.807 -4.500 1.00 54.54 H new ATOM 0 HZ3 TRP A 129 -4.055 -6.035 -2.750 1.00 24.12 H new ATOM 0 HH2 TRP A 129 -5.823 -4.364 -3.045 1.00 32.24 H new ATOM 1872 N GLU A 130 -8.054 -12.110 -4.561 1.00 33.15 N ATOM 1873 CA GLU A 130 -9.436 -12.222 -4.105 1.00 15.23 C ATOM 1874 C GLU A 130 -9.495 -12.373 -2.587 1.00 24.15 C ATOM 1875 O GLU A 130 -10.365 -11.810 -1.925 1.00 72.33 O ATOM 1876 CB GLU A 130 -10.118 -13.391 -4.772 1.00 30.40 C ATOM 1877 CG GLU A 130 -10.201 -13.256 -6.271 1.00 41.02 C ATOM 1878 CD GLU A 130 -10.872 -14.427 -6.896 1.00 35.42 C ATOM 1879 OE1 GLU A 130 -12.107 -14.401 -7.037 1.00 22.10 O ATOM 1880 OE2 GLU A 130 -10.180 -15.401 -7.236 1.00 3.41 O ATOM 0 H GLU A 130 -7.778 -12.799 -5.261 1.00 33.15 H new ATOM 0 HA GLU A 130 -9.960 -11.307 -4.380 1.00 15.23 H new ATOM 0 HB2 GLU A 130 -9.579 -14.306 -4.526 1.00 30.40 H new ATOM 0 HB3 GLU A 130 -11.125 -13.495 -4.367 1.00 30.40 H new ATOM 0 HG2 GLU A 130 -10.747 -12.347 -6.524 1.00 41.02 H new ATOM 0 HG3 GLU A 130 -9.197 -13.150 -6.682 1.00 41.02 H new ATOM 1887 N ASN A 131 -8.547 -13.111 -2.050 1.00 44.23 N ATOM 1888 CA ASN A 131 -8.465 -13.317 -0.609 1.00 70.52 C ATOM 1889 C ASN A 131 -7.915 -12.082 0.079 1.00 55.44 C ATOM 1890 O ASN A 131 -8.445 -11.645 1.102 1.00 23.12 O ATOM 1891 CB ASN A 131 -7.590 -14.514 -0.275 1.00 55.53 C ATOM 1892 CG ASN A 131 -8.084 -15.781 -0.894 1.00 73.20 C ATOM 1893 OD1 ASN A 131 -7.627 -16.052 -2.080 1.00 65.12 O flip ATOM 1894 ND2 ASN A 131 -8.874 -16.510 -0.311 1.00 62.12 N flip ATOM 0 H ASN A 131 -7.818 -13.582 -2.586 1.00 44.23 H new ATOM 0 HA ASN A 131 -9.475 -13.509 -0.248 1.00 70.52 H new ATOM 0 HB2 ASN A 131 -6.573 -14.321 -0.615 1.00 55.53 H new ATOM 0 HB3 ASN A 131 -7.547 -14.636 0.807 1.00 55.53 H new ATOM 0 HD21 ASN A 131 -9.208 -16.259 0.620 1.00 62.12 H new ATOM 0 HD22 ASN A 131 -9.199 -17.369 -0.755 1.00 62.12 H new ATOM 1900 N VAL A 132 -6.852 -11.523 -0.495 1.00 60.43 N ATOM 1901 CA VAL A 132 -6.194 -10.340 0.060 1.00 72.21 C ATOM 1902 C VAL A 132 -7.157 -9.161 0.103 1.00 33.24 C ATOM 1903 O VAL A 132 -7.342 -8.546 1.143 1.00 31.12 O ATOM 1904 CB VAL A 132 -4.934 -9.948 -0.756 1.00 71.40 C ATOM 1905 CG1 VAL A 132 -4.266 -8.717 -0.166 1.00 11.31 C ATOM 1906 CG2 VAL A 132 -3.953 -11.104 -0.812 1.00 24.33 C ATOM 0 H VAL A 132 -6.424 -11.873 -1.352 1.00 60.43 H new ATOM 0 HA VAL A 132 -5.882 -10.592 1.073 1.00 72.21 H new ATOM 0 HB VAL A 132 -5.251 -9.711 -1.772 1.00 71.40 H new ATOM 0 HG11 VAL A 132 -3.385 -8.463 -0.756 1.00 11.31 H new ATOM 0 HG12 VAL A 132 -4.966 -7.881 -0.180 1.00 11.31 H new ATOM 0 HG13 VAL A 132 -3.967 -8.923 0.862 1.00 11.31 H new ATOM 0 HG21 VAL A 132 -3.076 -10.809 -1.389 1.00 24.33 H new ATOM 0 HG22 VAL A 132 -3.649 -11.372 0.200 1.00 24.33 H new ATOM 0 HG23 VAL A 132 -4.428 -11.962 -1.287 1.00 24.33 H new ATOM 1912 N SER A 133 -7.776 -8.891 -1.021 1.00 40.10 N ATOM 1913 CA SER A 133 -8.730 -7.815 -1.180 1.00 22.12 C ATOM 1914 C SER A 133 -9.868 -7.924 -0.152 1.00 64.04 C ATOM 1915 O SER A 133 -10.166 -6.956 0.552 1.00 41.14 O ATOM 1916 CB SER A 133 -9.258 -7.828 -2.627 1.00 4.41 C ATOM 1917 OG SER A 133 -10.269 -6.871 -2.851 1.00 62.55 O ATOM 0 H SER A 133 -7.627 -9.428 -1.876 1.00 40.10 H new ATOM 0 HA SER A 133 -8.239 -6.860 -0.993 1.00 22.12 H new ATOM 0 HB2 SER A 133 -8.431 -7.642 -3.312 1.00 4.41 H new ATOM 0 HB3 SER A 133 -9.646 -8.820 -2.858 1.00 4.41 H new ATOM 0 HG SER A 133 -10.393 -6.746 -3.815 1.00 62.55 H new ATOM 1923 N ALA A 134 -10.455 -9.121 -0.027 1.00 20.41 N ATOM 1924 CA ALA A 134 -11.546 -9.358 0.921 1.00 44.41 C ATOM 1925 C ALA A 134 -11.099 -9.070 2.345 1.00 74.24 C ATOM 1926 O ALA A 134 -11.865 -8.522 3.154 1.00 24.33 O ATOM 1927 CB ALA A 134 -12.050 -10.787 0.810 1.00 74.05 C ATOM 0 H ALA A 134 -10.190 -9.941 -0.573 1.00 20.41 H new ATOM 0 HA ALA A 134 -12.361 -8.679 0.671 1.00 44.41 H new ATOM 0 HB1 ALA A 134 -12.860 -10.943 1.522 1.00 74.05 H new ATOM 0 HB2 ALA A 134 -12.416 -10.966 -0.201 1.00 74.05 H new ATOM 0 HB3 ALA A 134 -11.236 -11.478 1.029 1.00 74.05 H new ATOM 1933 N MET A 135 -9.862 -9.420 2.631 1.00 5.25 N ATOM 1934 CA MET A 135 -9.272 -9.202 3.934 1.00 3.23 C ATOM 1935 C MET A 135 -9.035 -7.714 4.167 1.00 41.13 C ATOM 1936 O MET A 135 -9.358 -7.193 5.229 1.00 14.32 O ATOM 1937 CB MET A 135 -7.972 -10.001 4.060 1.00 1.51 C ATOM 1938 CG MET A 135 -7.249 -9.852 5.387 1.00 23.11 C ATOM 1939 SD MET A 135 -5.802 -10.925 5.504 1.00 14.33 S ATOM 1940 CE MET A 135 -4.818 -10.365 4.116 1.00 54.43 C ATOM 0 H MET A 135 -9.235 -9.866 1.962 1.00 5.25 H new ATOM 0 HA MET A 135 -9.961 -9.552 4.702 1.00 3.23 H new ATOM 0 HB2 MET A 135 -8.196 -11.056 3.903 1.00 1.51 H new ATOM 0 HB3 MET A 135 -7.297 -9.696 3.260 1.00 1.51 H new ATOM 0 HG2 MET A 135 -6.940 -8.815 5.515 1.00 23.11 H new ATOM 0 HG3 MET A 135 -7.937 -10.083 6.201 1.00 23.11 H new ATOM 0 HE1 MET A 135 -3.762 -10.538 4.325 1.00 54.43 H new ATOM 0 HE2 MET A 135 -5.105 -10.916 3.220 1.00 54.43 H new ATOM 0 HE3 MET A 135 -4.987 -9.300 3.956 1.00 54.43 H new ATOM 1950 N ILE A 136 -8.501 -7.032 3.158 1.00 33.43 N ATOM 1951 CA ILE A 136 -8.251 -5.601 3.233 1.00 34.33 C ATOM 1952 C ILE A 136 -9.557 -4.849 3.483 1.00 10.12 C ATOM 1953 O ILE A 136 -9.631 -3.997 4.378 1.00 63.12 O ATOM 1954 CB ILE A 136 -7.568 -5.072 1.939 1.00 64.54 C ATOM 1955 CG1 ILE A 136 -6.194 -5.724 1.737 1.00 61.25 C ATOM 1956 CG2 ILE A 136 -7.431 -3.559 1.982 1.00 52.30 C ATOM 1957 CD1 ILE A 136 -5.483 -5.291 0.466 1.00 62.04 C ATOM 0 H ILE A 136 -8.231 -7.456 2.270 1.00 33.43 H new ATOM 0 HA ILE A 136 -7.570 -5.426 4.066 1.00 34.33 H new ATOM 0 HB ILE A 136 -8.202 -5.340 1.094 1.00 64.54 H new ATOM 0 HG12 ILE A 136 -5.562 -5.487 2.593 1.00 61.25 H new ATOM 0 HG13 ILE A 136 -6.316 -6.807 1.721 1.00 61.25 H new ATOM 0 HG21 ILE A 136 -6.951 -3.211 1.067 1.00 52.30 H new ATOM 0 HG22 ILE A 136 -8.419 -3.107 2.068 1.00 52.30 H new ATOM 0 HG23 ILE A 136 -6.825 -3.273 2.841 1.00 52.30 H new ATOM 0 HD11 ILE A 136 -4.520 -5.796 0.398 1.00 62.04 H new ATOM 0 HD12 ILE A 136 -6.092 -5.553 -0.399 1.00 62.04 H new ATOM 0 HD13 ILE A 136 -5.326 -4.213 0.486 1.00 62.04 H new ATOM 1964 N GLU A 137 -10.592 -5.194 2.722 1.00 54.32 N ATOM 1965 CA GLU A 137 -11.899 -4.571 2.879 1.00 20.14 C ATOM 1966 C GLU A 137 -12.426 -4.742 4.290 1.00 61.03 C ATOM 1967 O GLU A 137 -12.935 -3.813 4.872 1.00 13.44 O ATOM 1968 CB GLU A 137 -12.907 -5.140 1.895 1.00 1.05 C ATOM 1969 CG GLU A 137 -12.576 -4.901 0.449 1.00 25.32 C ATOM 1970 CD GLU A 137 -13.622 -5.442 -0.469 1.00 31.22 C ATOM 1971 OE1 GLU A 137 -13.577 -6.625 -0.805 1.00 35.13 O ATOM 1972 OE2 GLU A 137 -14.531 -4.681 -0.861 1.00 62.23 O ATOM 0 H GLU A 137 -10.549 -5.903 1.990 1.00 54.32 H new ATOM 0 HA GLU A 137 -11.767 -3.508 2.675 1.00 20.14 H new ATOM 0 HB2 GLU A 137 -12.991 -6.214 2.062 1.00 1.05 H new ATOM 0 HB3 GLU A 137 -13.885 -4.707 2.106 1.00 1.05 H new ATOM 0 HG2 GLU A 137 -12.463 -3.831 0.277 1.00 25.32 H new ATOM 0 HG3 GLU A 137 -11.617 -5.364 0.217 1.00 25.32 H new ATOM 1979 N GLU A 138 -12.269 -5.931 4.834 1.00 73.32 N ATOM 1980 CA GLU A 138 -12.739 -6.248 6.155 1.00 43.30 C ATOM 1981 C GLU A 138 -11.955 -5.462 7.240 1.00 53.22 C ATOM 1982 O GLU A 138 -12.505 -5.079 8.277 1.00 72.35 O ATOM 1983 CB GLU A 138 -12.603 -7.750 6.360 1.00 64.35 C ATOM 1984 CG GLU A 138 -13.082 -8.225 7.685 1.00 73.11 C ATOM 1985 CD GLU A 138 -12.929 -9.703 7.859 1.00 22.33 C ATOM 1986 OE1 GLU A 138 -11.808 -10.169 8.119 1.00 21.52 O ATOM 1987 OE2 GLU A 138 -13.929 -10.430 7.740 1.00 34.15 O ATOM 0 H GLU A 138 -11.806 -6.708 4.362 1.00 73.32 H new ATOM 0 HA GLU A 138 -13.784 -5.953 6.252 1.00 43.30 H new ATOM 0 HB2 GLU A 138 -13.160 -8.265 5.578 1.00 64.35 H new ATOM 0 HB3 GLU A 138 -11.556 -8.029 6.242 1.00 64.35 H new ATOM 0 HG2 GLU A 138 -12.529 -7.712 8.472 1.00 73.11 H new ATOM 0 HG3 GLU A 138 -14.131 -7.956 7.805 1.00 73.11 H new ATOM 1994 N VAL A 139 -10.687 -5.224 6.985 1.00 11.22 N ATOM 1995 CA VAL A 139 -9.817 -4.500 7.915 1.00 42.11 C ATOM 1996 C VAL A 139 -10.103 -2.978 7.936 1.00 22.21 C ATOM 1997 O VAL A 139 -10.116 -2.341 9.006 1.00 23.12 O ATOM 1998 CB VAL A 139 -8.303 -4.773 7.601 1.00 4.23 C ATOM 1999 CG1 VAL A 139 -7.391 -3.885 8.424 1.00 30.34 C ATOM 2000 CG2 VAL A 139 -7.961 -6.231 7.873 1.00 74.23 C ATOM 0 H VAL A 139 -10.220 -5.523 6.129 1.00 11.22 H new ATOM 0 HA VAL A 139 -10.042 -4.882 8.911 1.00 42.11 H new ATOM 0 HB VAL A 139 -8.145 -4.546 6.547 1.00 4.23 H new ATOM 0 HG11 VAL A 139 -6.352 -4.104 8.178 1.00 30.34 H new ATOM 0 HG12 VAL A 139 -7.604 -2.839 8.202 1.00 30.34 H new ATOM 0 HG13 VAL A 139 -7.560 -4.073 9.484 1.00 30.34 H new ATOM 0 HG21 VAL A 139 -6.908 -6.405 7.651 1.00 74.23 H new ATOM 0 HG22 VAL A 139 -8.154 -6.460 8.921 1.00 74.23 H new ATOM 0 HG23 VAL A 139 -8.576 -6.873 7.242 1.00 74.23 H new ATOM 2006 N PHE A 140 -10.327 -2.404 6.776 1.00 65.51 N ATOM 2007 CA PHE A 140 -10.519 -0.958 6.663 1.00 11.05 C ATOM 2008 C PHE A 140 -11.998 -0.533 6.618 1.00 11.20 C ATOM 2009 O PHE A 140 -12.306 0.663 6.616 1.00 24.54 O ATOM 2010 CB PHE A 140 -9.756 -0.422 5.455 1.00 52.31 C ATOM 2011 CG PHE A 140 -8.262 -0.597 5.579 1.00 34.30 C ATOM 2012 CD1 PHE A 140 -7.651 -1.785 5.229 1.00 14.13 C ATOM 2013 CD2 PHE A 140 -7.482 0.431 6.049 1.00 21.24 C ATOM 2014 CE1 PHE A 140 -6.291 -1.942 5.348 1.00 5.31 C ATOM 2015 CE2 PHE A 140 -6.116 0.283 6.170 1.00 12.12 C ATOM 2016 CZ PHE A 140 -5.522 -0.905 5.820 1.00 2.04 C ATOM 0 H PHE A 140 -10.383 -2.908 5.891 1.00 65.51 H new ATOM 0 HA PHE A 140 -10.115 -0.516 7.574 1.00 11.05 H new ATOM 0 HB2 PHE A 140 -10.103 -0.932 4.557 1.00 52.31 H new ATOM 0 HB3 PHE A 140 -9.983 0.636 5.328 1.00 52.31 H new ATOM 0 HD1 PHE A 140 -8.251 -2.602 4.856 1.00 14.13 H new ATOM 0 HD2 PHE A 140 -7.944 1.367 6.327 1.00 21.24 H new ATOM 0 HE1 PHE A 140 -5.828 -2.878 5.071 1.00 5.31 H new ATOM 0 HE2 PHE A 140 -5.514 1.100 6.539 1.00 12.12 H new ATOM 0 HZ PHE A 140 -4.453 -1.024 5.915 1.00 2.04 H new ATOM 2026 N GLU A 141 -12.885 -1.506 6.619 1.00 50.03 N ATOM 2027 CA GLU A 141 -14.349 -1.303 6.508 1.00 43.15 C ATOM 2028 C GLU A 141 -14.904 -0.290 7.519 1.00 62.10 C ATOM 2029 O GLU A 141 -15.765 0.534 7.192 1.00 12.22 O ATOM 2030 CB GLU A 141 -15.052 -2.661 6.658 1.00 1.42 C ATOM 2031 CG GLU A 141 -16.568 -2.640 6.597 1.00 22.24 C ATOM 2032 CD GLU A 141 -17.137 -4.028 6.752 1.00 12.22 C ATOM 2033 OE1 GLU A 141 -17.146 -4.551 7.888 1.00 72.40 O ATOM 2034 OE2 GLU A 141 -17.573 -4.626 5.740 1.00 42.34 O ATOM 0 H GLU A 141 -12.622 -2.488 6.698 1.00 50.03 H new ATOM 0 HA GLU A 141 -14.548 -0.876 5.525 1.00 43.15 H new ATOM 0 HB2 GLU A 141 -14.687 -3.325 5.874 1.00 1.42 H new ATOM 0 HB3 GLU A 141 -14.753 -3.098 7.611 1.00 1.42 H new ATOM 0 HG2 GLU A 141 -16.958 -1.994 7.384 1.00 22.24 H new ATOM 0 HG3 GLU A 141 -16.891 -2.215 5.647 1.00 22.24 H new ATOM 2041 N ALA A 142 -14.399 -0.337 8.707 1.00 34.20 N ATOM 2042 CA ALA A 142 -14.892 0.516 9.780 1.00 71.41 C ATOM 2043 C ALA A 142 -14.054 1.781 9.959 1.00 40.11 C ATOM 2044 O ALA A 142 -14.186 2.468 10.964 1.00 63.11 O ATOM 2045 CB ALA A 142 -14.938 -0.268 11.085 1.00 42.43 C ATOM 0 H ALA A 142 -13.637 -0.958 8.978 1.00 34.20 H new ATOM 0 HA ALA A 142 -15.896 0.835 9.502 1.00 71.41 H new ATOM 0 HB1 ALA A 142 -15.308 0.376 11.883 1.00 42.43 H new ATOM 0 HB2 ALA A 142 -15.603 -1.124 10.972 1.00 42.43 H new ATOM 0 HB3 ALA A 142 -13.936 -0.617 11.335 1.00 42.43 H new ATOM 2051 N THR A 143 -13.216 2.108 8.995 1.00 63.13 N ATOM 2052 CA THR A 143 -12.373 3.284 9.140 1.00 62.25 C ATOM 2053 C THR A 143 -12.755 4.402 8.178 1.00 74.40 C ATOM 2054 O THR A 143 -13.618 4.232 7.305 1.00 5.20 O ATOM 2055 CB THR A 143 -10.869 2.963 9.013 1.00 64.41 C ATOM 2056 OG1 THR A 143 -10.576 2.358 7.749 1.00 53.52 O ATOM 2057 CG2 THR A 143 -10.406 2.054 10.132 1.00 73.32 C ATOM 0 H THR A 143 -13.099 1.593 8.123 1.00 63.13 H new ATOM 0 HA THR A 143 -12.553 3.637 10.155 1.00 62.25 H new ATOM 0 HB THR A 143 -10.331 3.908 9.084 1.00 64.41 H new ATOM 0 HG1 THR A 143 -11.241 1.665 7.556 1.00 53.52 H new ATOM 0 HG21 THR A 143 -9.342 1.846 10.015 1.00 73.32 H new ATOM 0 HG22 THR A 143 -10.577 2.542 11.092 1.00 73.32 H new ATOM 0 HG23 THR A 143 -10.965 1.119 10.096 1.00 73.32 H new ATOM 2063 N ASP A 144 -12.078 5.542 8.320 1.00 70.14 N ATOM 2064 CA ASP A 144 -12.338 6.716 7.486 1.00 44.33 C ATOM 2065 C ASP A 144 -11.493 6.658 6.238 1.00 12.52 C ATOM 2066 O ASP A 144 -11.474 7.590 5.435 1.00 54.43 O ATOM 2067 CB ASP A 144 -11.997 8.017 8.229 1.00 54.35 C ATOM 2068 CG ASP A 144 -12.778 8.224 9.490 1.00 32.04 C ATOM 2069 OD1 ASP A 144 -13.931 8.649 9.413 1.00 73.32 O ATOM 2070 OD2 ASP A 144 -12.229 7.972 10.596 1.00 13.13 O ATOM 0 H ASP A 144 -11.340 5.677 9.011 1.00 70.14 H new ATOM 0 HA ASP A 144 -13.399 6.709 7.236 1.00 44.33 H new ATOM 0 HB2 ASP A 144 -10.934 8.018 8.469 1.00 54.35 H new ATOM 0 HB3 ASP A 144 -12.174 8.861 7.562 1.00 54.35 H new ATOM 2075 N ILE A 145 -10.821 5.559 6.073 1.00 15.00 N ATOM 2076 CA ILE A 145 -9.926 5.360 4.981 1.00 70.54 C ATOM 2077 C ILE A 145 -10.685 4.934 3.724 1.00 52.21 C ATOM 2078 O ILE A 145 -11.634 4.143 3.784 1.00 42.24 O ATOM 2079 CB ILE A 145 -8.839 4.310 5.352 1.00 20.30 C ATOM 2080 CG1 ILE A 145 -8.063 4.792 6.583 1.00 35.41 C ATOM 2081 CG2 ILE A 145 -7.880 4.069 4.183 1.00 71.41 C ATOM 2082 CD1 ILE A 145 -7.023 3.818 7.082 1.00 31.01 C ATOM 0 H ILE A 145 -10.883 4.763 6.707 1.00 15.00 H new ATOM 0 HA ILE A 145 -9.430 6.307 4.769 1.00 70.54 H new ATOM 0 HB ILE A 145 -9.332 3.365 5.578 1.00 20.30 H new ATOM 0 HG12 ILE A 145 -7.574 5.736 6.343 1.00 35.41 H new ATOM 0 HG13 ILE A 145 -8.770 4.994 7.387 1.00 35.41 H new ATOM 0 HG21 ILE A 145 -7.132 3.331 4.472 1.00 71.41 H new ATOM 0 HG22 ILE A 145 -8.440 3.701 3.323 1.00 71.41 H new ATOM 0 HG23 ILE A 145 -7.385 5.004 3.920 1.00 71.41 H new ATOM 0 HD11 ILE A 145 -6.521 4.237 7.954 1.00 31.01 H new ATOM 0 HD12 ILE A 145 -7.505 2.880 7.356 1.00 31.01 H new ATOM 0 HD13 ILE A 145 -6.291 3.633 6.296 1.00 31.01 H new ATOM 2089 N LYS A 146 -10.294 5.518 2.621 1.00 33.43 N ATOM 2090 CA LYS A 146 -10.803 5.178 1.318 1.00 50.42 C ATOM 2091 C LYS A 146 -9.710 4.443 0.598 1.00 32.34 C ATOM 2092 O LYS A 146 -8.638 5.017 0.333 1.00 71.01 O ATOM 2093 CB LYS A 146 -11.170 6.427 0.467 1.00 75.04 C ATOM 2094 CG LYS A 146 -12.347 7.302 0.933 1.00 32.32 C ATOM 2095 CD LYS A 146 -12.120 7.976 2.274 1.00 62.25 C ATOM 2096 CE LYS A 146 -10.860 8.854 2.292 1.00 61.42 C ATOM 2097 NZ LYS A 146 -10.827 9.878 1.236 1.00 74.34 N ATOM 0 H LYS A 146 -9.596 6.261 2.604 1.00 33.43 H new ATOM 0 HA LYS A 146 -11.710 4.588 1.449 1.00 50.42 H new ATOM 0 HB2 LYS A 146 -10.286 7.062 0.408 1.00 75.04 H new ATOM 0 HB3 LYS A 146 -11.387 6.088 -0.546 1.00 75.04 H new ATOM 0 HG2 LYS A 146 -12.538 8.067 0.181 1.00 32.32 H new ATOM 0 HG3 LYS A 146 -13.243 6.685 0.995 1.00 32.32 H new ATOM 0 HD2 LYS A 146 -12.988 8.588 2.519 1.00 62.25 H new ATOM 0 HD3 LYS A 146 -12.038 7.214 3.049 1.00 62.25 H new ATOM 0 HE2 LYS A 146 -10.786 9.345 3.262 1.00 61.42 H new ATOM 0 HE3 LYS A 146 -9.983 8.215 2.191 1.00 61.42 H new ATOM 0 HZ1 LYS A 146 -10.319 10.717 1.582 1.00 74.34 H new ATOM 0 HZ2 LYS A 146 -10.340 9.498 0.399 1.00 74.34 H new ATOM 0 HZ3 LYS A 146 -11.799 10.144 0.980 1.00 74.34 H new ATOM 2111 N ILE A 147 -9.932 3.205 0.307 1.00 14.22 N ATOM 2112 CA ILE A 147 -8.937 2.453 -0.408 1.00 72.42 C ATOM 2113 C ILE A 147 -9.291 2.302 -1.851 1.00 45.25 C ATOM 2114 O ILE A 147 -10.395 1.888 -2.208 1.00 2.33 O ATOM 2115 CB ILE A 147 -8.587 1.097 0.245 1.00 22.34 C ATOM 2116 CG1 ILE A 147 -7.987 1.379 1.603 1.00 74.24 C ATOM 2117 CG2 ILE A 147 -7.608 0.293 -0.626 1.00 61.34 C ATOM 2118 CD1 ILE A 147 -7.446 0.181 2.325 1.00 22.43 C ATOM 0 H ILE A 147 -10.780 2.691 0.546 1.00 14.22 H new ATOM 0 HA ILE A 147 -8.024 3.045 -0.348 1.00 72.42 H new ATOM 0 HB ILE A 147 -9.488 0.493 0.346 1.00 22.34 H new ATOM 0 HG12 ILE A 147 -7.182 2.105 1.483 1.00 74.24 H new ATOM 0 HG13 ILE A 147 -8.748 1.847 2.228 1.00 74.24 H new ATOM 0 HG21 ILE A 147 -7.382 -0.655 -0.139 1.00 61.34 H new ATOM 0 HG22 ILE A 147 -8.060 0.102 -1.600 1.00 61.34 H new ATOM 0 HG23 ILE A 147 -6.687 0.861 -0.758 1.00 61.34 H new ATOM 0 HD11 ILE A 147 -7.039 0.490 3.288 1.00 22.43 H new ATOM 0 HD12 ILE A 147 -8.248 -0.540 2.485 1.00 22.43 H new ATOM 0 HD13 ILE A 147 -6.658 -0.278 1.728 1.00 22.43 H new ATOM 2125 N THR A 148 -8.371 2.663 -2.670 1.00 63.23 N ATOM 2126 CA THR A 148 -8.543 2.601 -4.079 1.00 61.42 C ATOM 2127 C THR A 148 -7.347 1.881 -4.689 1.00 30.23 C ATOM 2128 O THR A 148 -6.202 2.289 -4.480 1.00 21.24 O ATOM 2129 CB THR A 148 -8.659 4.032 -4.658 1.00 55.35 C ATOM 2130 OG1 THR A 148 -9.702 4.747 -3.963 1.00 41.02 O ATOM 2131 CG2 THR A 148 -8.997 3.994 -6.133 1.00 60.40 C ATOM 0 H THR A 148 -7.460 3.016 -2.376 1.00 63.23 H new ATOM 0 HA THR A 148 -9.457 2.056 -4.318 1.00 61.42 H new ATOM 0 HB THR A 148 -7.699 4.532 -4.527 1.00 55.35 H new ATOM 0 HG1 THR A 148 -9.776 5.654 -4.327 1.00 41.02 H new ATOM 0 HG21 THR A 148 -9.073 5.012 -6.515 1.00 60.40 H new ATOM 0 HG22 THR A 148 -8.214 3.461 -6.672 1.00 60.40 H new ATOM 0 HG23 THR A 148 -9.948 3.481 -6.275 1.00 60.40 H new ATOM 2137 N VAL A 149 -7.597 0.811 -5.416 1.00 65.42 N ATOM 2138 CA VAL A 149 -6.511 0.096 -6.032 1.00 22.50 C ATOM 2139 C VAL A 149 -6.459 0.448 -7.486 1.00 54.22 C ATOM 2140 O VAL A 149 -7.502 0.525 -8.168 1.00 12.04 O ATOM 2141 CB VAL A 149 -6.569 -1.465 -5.865 1.00 61.43 C ATOM 2142 CG1 VAL A 149 -6.780 -1.869 -4.429 1.00 10.20 C ATOM 2143 CG2 VAL A 149 -7.569 -2.145 -6.790 1.00 10.23 C ATOM 0 H VAL A 149 -8.526 0.427 -5.590 1.00 65.42 H new ATOM 0 HA VAL A 149 -5.607 0.408 -5.510 1.00 22.50 H new ATOM 0 HB VAL A 149 -5.588 -1.825 -6.174 1.00 61.43 H new ATOM 0 HG11 VAL A 149 -6.814 -2.956 -4.358 1.00 10.20 H new ATOM 0 HG12 VAL A 149 -5.959 -1.491 -3.820 1.00 10.20 H new ATOM 0 HG13 VAL A 149 -7.720 -1.452 -4.068 1.00 10.20 H new ATOM 0 HG21 VAL A 149 -7.552 -3.221 -6.616 1.00 10.23 H new ATOM 0 HG22 VAL A 149 -8.569 -1.761 -6.590 1.00 10.23 H new ATOM 0 HG23 VAL A 149 -7.303 -1.941 -7.827 1.00 10.23 H new ATOM 2149 N TYR A 150 -5.298 0.711 -7.954 1.00 32.30 N ATOM 2150 CA TYR A 150 -5.124 1.038 -9.323 1.00 32.04 C ATOM 2151 C TYR A 150 -4.745 -0.201 -10.069 1.00 64.32 C ATOM 2152 O TYR A 150 -3.748 -0.862 -9.755 1.00 24.50 O ATOM 2153 CB TYR A 150 -4.104 2.170 -9.483 1.00 22.31 C ATOM 2154 CG TYR A 150 -4.611 3.506 -8.943 1.00 12.50 C ATOM 2155 CD1 TYR A 150 -4.856 3.688 -7.583 1.00 32.40 C ATOM 2156 CD2 TYR A 150 -4.875 4.564 -9.797 1.00 25.52 C ATOM 2157 CE1 TYR A 150 -5.338 4.876 -7.096 1.00 61.34 C ATOM 2158 CE2 TYR A 150 -5.366 5.764 -9.310 1.00 75.10 C ATOM 2159 CZ TYR A 150 -5.591 5.911 -7.958 1.00 71.44 C ATOM 2160 OH TYR A 150 -6.092 7.090 -7.469 1.00 11.02 O ATOM 0 H TYR A 150 -4.440 0.707 -7.402 1.00 32.30 H new ATOM 0 HA TYR A 150 -6.056 1.413 -9.746 1.00 32.04 H new ATOM 0 HB2 TYR A 150 -3.184 1.900 -8.965 1.00 22.31 H new ATOM 0 HB3 TYR A 150 -3.854 2.281 -10.538 1.00 22.31 H new ATOM 0 HD1 TYR A 150 -4.662 2.876 -6.898 1.00 32.40 H new ATOM 0 HD2 TYR A 150 -4.696 4.452 -10.856 1.00 25.52 H new ATOM 0 HE1 TYR A 150 -5.517 4.995 -6.038 1.00 61.34 H new ATOM 0 HE2 TYR A 150 -5.572 6.581 -9.986 1.00 75.10 H new ATOM 0 HH TYR A 150 -6.118 7.054 -6.490 1.00 11.02 H new ATOM 2170 N THR A 151 -5.557 -0.541 -11.020 1.00 73.02 N ATOM 2171 CA THR A 151 -5.375 -1.724 -11.772 1.00 72.35 C ATOM 2172 C THR A 151 -5.106 -1.385 -13.232 1.00 0.13 C ATOM 2173 O THR A 151 -5.925 -0.766 -13.915 1.00 52.51 O ATOM 2174 CB THR A 151 -6.612 -2.637 -11.631 1.00 34.11 C ATOM 2175 OG1 THR A 151 -6.857 -2.870 -10.228 1.00 42.41 O ATOM 2176 CG2 THR A 151 -6.375 -3.972 -12.297 1.00 5.41 C ATOM 0 H THR A 151 -6.372 0.008 -11.293 1.00 73.02 H new ATOM 0 HA THR A 151 -4.509 -2.262 -11.386 1.00 72.35 H new ATOM 0 HB THR A 151 -7.462 -2.147 -12.106 1.00 34.11 H new ATOM 0 HG1 THR A 151 -7.725 -3.310 -10.116 1.00 42.41 H new ATOM 0 HG21 THR A 151 -7.261 -4.597 -12.184 1.00 5.41 H new ATOM 0 HG22 THR A 151 -6.172 -3.819 -13.357 1.00 5.41 H new ATOM 0 HG23 THR A 151 -5.521 -4.464 -11.831 1.00 5.41 H new ATOM 2182 N LEU A 152 -3.946 -1.744 -13.663 1.00 20.53 N ATOM 2183 CA LEU A 152 -3.498 -1.546 -14.993 1.00 42.31 C ATOM 2184 C LEU A 152 -2.987 -2.842 -15.589 1.00 51.12 C ATOM 2185 O LEU A 152 -3.508 -3.262 -16.627 1.00 38.53 O ATOM 2186 CB LEU A 152 -2.496 -0.348 -15.114 1.00 22.02 C ATOM 2187 CG LEU A 152 -1.236 -0.260 -14.190 1.00 43.10 C ATOM 2188 CD1 LEU A 152 -1.573 -0.287 -12.733 1.00 53.44 C ATOM 2189 CD2 LEU A 152 -0.164 -1.261 -14.525 1.00 64.23 C ATOM 2190 OXT LEU A 152 -2.126 -3.496 -14.974 1.00 38.53 O ATOM 0 H LEU A 152 -3.255 -2.204 -13.069 1.00 20.53 H new ATOM 0 HA LEU A 152 -4.354 -1.248 -15.599 1.00 42.31 H new ATOM 0 HB2 LEU A 152 -2.139 -0.332 -16.144 1.00 22.02 H new ATOM 0 HB3 LEU A 152 -3.070 0.566 -14.961 1.00 22.02 H new ATOM 0 HG LEU A 152 -0.814 0.722 -14.404 1.00 43.10 H new ATOM 0 HD11 LEU A 152 -0.657 -0.223 -12.146 1.00 53.44 H new ATOM 0 HD12 LEU A 152 -2.218 0.559 -12.493 1.00 53.44 H new ATOM 0 HD13 LEU A 152 -2.091 -1.217 -12.496 1.00 53.44 H new ATOM 0 HD21 LEU A 152 0.676 -1.137 -13.841 1.00 64.23 H new ATOM 0 HD22 LEU A 152 -0.565 -2.270 -14.428 1.00 64.23 H new ATOM 0 HD23 LEU A 152 0.175 -1.102 -15.549 1.00 64.23 H new TER 2198 LEU A 152 HETATM 2199 N1 APR A 186 1.163 0.760 -11.088 1.00 41.52 N HETATM 2200 C2 APR A 186 0.215 0.076 -10.445 1.00 41.25 C HETATM 2201 N3 APR A 186 0.275 -1.255 -10.352 1.00 4.24 N HETATM 2202 C4 APR A 186 1.294 -1.936 -10.908 1.00 64.42 C HETATM 2203 C5 APR A 186 2.273 -1.262 -11.574 1.00 60.03 C HETATM 2204 C6 APR A 186 2.198 0.112 -11.660 1.00 13.52 C HETATM 2205 N6 APR A 186 3.125 0.790 -12.311 1.00 24.42 N HETATM 2206 N7 APR A 186 3.162 -2.149 -12.001 1.00 32.31 N HETATM 2207 C8 APR A 186 2.744 -3.364 -11.612 1.00 23.34 C HETATM 2208 N9 APR A 186 1.591 -3.223 -10.945 1.00 73.41 N HETATM 2209 C1' APR A 186 0.746 -4.335 -10.361 1.00 11.22 C HETATM 2210 C2' APR A 186 0.664 -5.499 -11.387 1.00 52.42 C HETATM 2211 O2' APR A 186 -0.271 -5.229 -12.380 1.00 65.34 O HETATM 2212 C3' APR A 186 0.200 -6.658 -10.485 1.00 34.11 C HETATM 2213 O3' APR A 186 -1.188 -6.728 -10.446 1.00 40.13 O HETATM 2214 O4' APR A 186 1.300 -4.898 -9.178 1.00 40.05 O HETATM 2215 C4' APR A 186 0.773 -6.250 -9.068 1.00 3.11 C HETATM 2216 C5' APR A 186 1.876 -7.274 -8.663 1.00 32.22 C HETATM 2217 O5' APR A 186 1.992 -7.383 -7.243 1.00 5.40 O HETATM 2218 PA APR A 186 3.075 -6.497 -6.453 1.00 53.20 P HETATM 2219 O1A APR A 186 2.485 -5.305 -5.771 1.00 32.15 O HETATM 2220 O2A APR A 186 4.202 -6.054 -7.545 1.00 64.12 O HETATM 2221 O3A APR A 186 3.816 -7.471 -5.419 1.00 71.24 O HETATM 2222 PB APR A 186 4.469 -6.889 -4.065 1.00 75.11 P HETATM 2223 O1B APR A 186 3.479 -6.614 -2.973 1.00 23.33 O HETATM 2224 O2B APR A 186 5.268 -5.529 -4.469 1.00 3.15 O HETATM 2225 O5D APR A 186 5.610 -7.944 -3.618 1.00 60.04 O HETATM 2226 C5D APR A 186 5.669 -8.444 -2.278 1.00 62.40 C HETATM 2227 O4D APR A 186 7.101 -10.400 -2.753 1.00 31.11 O HETATM 2228 O1D APR A 186 8.530 -9.142 -1.310 1.00 64.32 O HETATM 2229 C1D APR A 186 7.973 -10.449 -1.631 1.00 75.52 C HETATM 2230 O2D APR A 186 7.194 -12.371 -0.337 1.00 45.12 O HETATM 2231 C2D APR A 186 7.124 -10.981 -0.422 1.00 24.33 C HETATM 2232 O3D APR A 186 4.742 -11.528 -0.666 1.00 50.40 O HETATM 2233 C3D APR A 186 5.692 -10.521 -0.786 1.00 61.51 C HETATM 2234 C4D APR A 186 5.831 -9.988 -2.268 1.00 64.24 C HETATM 0 HR'4 APR A 186 5.056 -10.394 -2.919 1.00 64.24 H new HETATM 0 HR'3 APR A 186 5.325 -9.758 -0.100 1.00 61.51 H new HETATM 0 HR'2 APR A 186 7.466 -10.612 0.545 1.00 24.33 H new HETATM 0 HR'1 APR A 186 8.819 -11.099 -1.852 1.00 75.52 H new HETATM 0 HOR3 APR A 186 3.844 -11.139 -0.719 1.00 50.40 H new HETATM 0 HOR2 APR A 186 6.291 -12.748 -0.387 1.00 45.12 H new HETATM 0 HOR1 APR A 186 8.505 -8.571 -2.106 1.00 64.32 H new HETATM 0 HO'3 APR A 186 -1.462 -7.490 -9.894 1.00 40.13 H new HETATM 0 HO'2 APR A 186 -1.104 -5.705 -12.183 1.00 65.34 H new HETATM 0 H5R2 APR A 186 6.504 -7.984 -1.750 1.00 62.40 H new HETATM 0 H5R1 APR A 186 4.761 -8.166 -1.742 1.00 62.40 H new HETATM 0 H5'2 APR A 186 1.641 -8.251 -9.086 1.00 32.22 H new HETATM 0 H5'1 APR A 186 2.833 -6.966 -9.085 1.00 32.22 H new HETATM 0 H8 APR A 186 3.256 -4.306 -11.806 1.00 23.34 H new HETATM 0 H62 APR A 186 3.907 0.298 -12.743 1.00 24.42 H new HETATM 0 H61 APR A 186 3.059 1.805 -12.382 1.00 24.42 H new HETATM 0 H2 APR A 186 -0.619 0.610 -9.990 1.00 41.25 H new HETATM 0 H'4 APR A 186 0.004 -6.265 -8.295 1.00 3.11 H new HETATM 0 H'3 APR A 186 0.541 -7.635 -10.829 1.00 34.11 H new HETATM 0 H'2 APR A 186 1.593 -5.692 -11.923 1.00 52.42 H new HETATM 0 H'1 APR A 186 -0.222 -3.891 -10.129 1.00 11.22 H new