USER MOD reduce.3.24.130724 H: found=0, std=0, add=1104, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1104 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 CYS SG : rot -49:sc= -0.318 USER MOD Set 1.2: A 68 LYS NZ :NH3+ 164:sc= 1.41 (180deg=1.17) USER MOD Set 2.1: A 58 LYS NZ :NH3+ -164:sc= -0.795! (180deg=-1.7!) USER MOD Set 2.2: A 61 GLN :FLIP amide:sc= 0.368 F(o=-7.4!,f=-0.43) USER MOD Set 3.1: A 10 MET CE :methyl -109:sc= -1.24 (180deg=-1.62) USER MOD Set 3.2: A 51 HIS : no HD1:sc= -0.691 K(o=-1.9,f=-3.8) USER MOD Set 4.1: A 39 THR OG1 : rot 77:sc= 1.02 USER MOD Set 4.2: A 77 SER OG : rot -107:sc= 0.619 USER MOD Set 5.1: A 17 ASN :FLIP amide:sc= -0.113 F(o=-0.97,f=-0.12) USER MOD Set 5.2: A 55 SER OG : rot 131:sc=-0.00861 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 71:sc= 0.547 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.256 K(o=0.26,f=-0.29) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 155:sc= -0.0143 (180deg=-0.894) USER MOD Single : A 35 MET CE :methyl 177:sc= -2.16! (180deg=-2.17!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.248 F(o=-1.1,f=-0.25) USER MOD Single : A 40 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.000842) USER MOD Single : A 44 LYS NZ :NH3+ 133:sc= -0.749 (180deg=-1.06) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 30:sc= -0.14 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.00049) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 157:sc= -0.3 (180deg=-0.991) USER MOD Single : A 67 TYR OH : rot -18:sc= 1.29 USER MOD Single : A 73 TYR OH : rot 180:sc= -0.0074 USER MOD Single : A 81 GLN :FLIP amide:sc= -0.878 F(o=-2.4,f=-0.88) USER MOD Single : A 82 SER OG : rot 120:sc= 0.0658 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.542 F(o=-1.9,f=-0.54) USER MOD Single : A 85 GLN :FLIP amide:sc= -2.54! C(o=-4.1!,f=-2.5!) USER MOD Single : A 98 SER OG : rot -25:sc= 0.396 USER MOD Single : A 99 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.1) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 147:sc= -0.407 USER MOD Single : A 106 GLN : amide:sc= -0.661 K(o=-0.66,f=-1.5) USER MOD Single : A 107 ASN : amide:sc= -1.54 K(o=-1.5,f=-2.6!) USER MOD Single : A 109 TYR OH : rot -150:sc= 0.36 USER MOD Single : A 111 CYS SG : rot -30:sc= -1.87 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= 0.779 K(o=0.78,f=0) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=-6.8e-05) USER MOD Single : A 128 LYS NZ :NH3+ 162:sc= -0.0679 (180deg=-0.383) USER MOD Single : A 129 ASN : amide:sc= 0.436 X(o=0.44,f=0) USER MOD Single : A 130 ASN : amide:sc=-0.00676 X(o=-0.0068,f=-0.042) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 138 GLN : amide:sc= 0.288 K(o=0.29,f=-0.28) USER MOD Single : A 143 MET CE :methyl -160:sc= -0.67 (180deg=-1.82) USER MOD ----------------------------------------------------------------- ATOM 92 N MET A 10 -16.793 11.756 2.346 1.00 0.00 N ATOM 93 CA MET A 10 -15.569 11.066 1.955 1.00 0.00 C ATOM 94 C MET A 10 -15.888 9.795 1.174 1.00 0.00 C ATOM 95 O MET A 10 -15.277 8.750 1.396 1.00 0.00 O ATOM 96 CB MET A 10 -14.734 10.723 3.190 1.00 0.00 C ATOM 97 CG MET A 10 -14.306 11.941 3.992 1.00 0.00 C ATOM 98 SD MET A 10 -13.274 11.514 5.407 1.00 0.00 S ATOM 99 CE MET A 10 -11.844 10.816 4.585 1.00 0.00 C ATOM 0 HA MET A 10 -14.995 11.733 1.312 1.00 0.00 H new ATOM 0 HB2 MET A 10 -15.309 10.058 3.834 1.00 0.00 H new ATOM 0 HB3 MET A 10 -13.846 10.174 2.877 1.00 0.00 H new ATOM 0 HG2 MET A 10 -13.760 12.625 3.342 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.192 12.471 4.341 1.00 0.00 H new ATOM 0 HE1 MET A 10 -11.820 9.739 4.749 1.00 0.00 H new ATOM 0 HE2 MET A 10 -11.904 11.020 3.516 1.00 0.00 H new ATOM 0 HE3 MET A 10 -10.937 11.265 4.990 1.00 0.00 H new ATOM 109 N GLU A 11 -16.848 9.893 0.259 1.00 0.00 N ATOM 110 CA GLU A 11 -17.247 8.750 -0.554 1.00 0.00 C ATOM 111 C GLU A 11 -16.074 8.235 -1.382 1.00 0.00 C ATOM 112 O GLU A 11 -15.828 7.031 -1.446 1.00 0.00 O ATOM 113 CB GLU A 11 -18.407 9.132 -1.475 1.00 0.00 C ATOM 114 CG GLU A 11 -18.781 8.043 -2.467 1.00 0.00 C ATOM 115 CD GLU A 11 -20.131 8.282 -3.115 1.00 0.00 C ATOM 116 OE1 GLU A 11 -21.021 8.843 -2.442 1.00 0.00 O ATOM 117 OE2 GLU A 11 -20.297 7.908 -4.295 1.00 0.00 O ATOM 0 H GLU A 11 -17.363 10.751 0.063 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.572 7.955 0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.279 9.372 -0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -18.142 10.036 -2.023 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.016 7.984 -3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.793 7.080 -1.956 1.00 0.00 H new ATOM 124 N ALA A 12 -15.354 9.156 -2.014 1.00 0.00 N ATOM 125 CA ALA A 12 -14.206 8.796 -2.837 1.00 0.00 C ATOM 126 C ALA A 12 -13.285 7.828 -2.101 1.00 0.00 C ATOM 127 O ALA A 12 -12.930 6.772 -2.627 1.00 0.00 O ATOM 128 CB ALA A 12 -13.441 10.044 -3.251 1.00 0.00 C ATOM 0 H ALA A 12 -15.545 10.157 -1.972 1.00 0.00 H new ATOM 0 HA ALA A 12 -14.575 8.296 -3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.586 9.760 -3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.097 10.700 -3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.091 10.568 -2.362 1.00 0.00 H new ATOM 134 N VAL A 13 -12.901 8.194 -0.883 1.00 0.00 N ATOM 135 CA VAL A 13 -12.022 7.358 -0.074 1.00 0.00 C ATOM 136 C VAL A 13 -12.619 5.970 0.130 1.00 0.00 C ATOM 137 O VAL A 13 -12.110 4.979 -0.395 1.00 0.00 O ATOM 138 CB VAL A 13 -11.749 7.995 1.301 1.00 0.00 C ATOM 139 CG1 VAL A 13 -10.934 7.054 2.174 1.00 0.00 C ATOM 140 CG2 VAL A 13 -11.041 9.332 1.137 1.00 0.00 C ATOM 0 H VAL A 13 -13.185 9.065 -0.434 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.081 7.270 -0.617 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.704 8.173 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.751 7.522 3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.484 6.124 2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.982 6.841 1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.856 9.768 2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.092 9.181 0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.667 10.006 0.553 1.00 0.00 H new ATOM 150 N LYS A 14 -13.702 5.905 0.898 1.00 0.00 N ATOM 151 CA LYS A 14 -14.371 4.639 1.172 1.00 0.00 C ATOM 152 C LYS A 14 -14.286 3.707 -0.033 1.00 0.00 C ATOM 153 O LYS A 14 -14.078 2.502 0.114 1.00 0.00 O ATOM 154 CB LYS A 14 -15.836 4.882 1.540 1.00 0.00 C ATOM 155 CG LYS A 14 -16.018 5.779 2.753 1.00 0.00 C ATOM 156 CD LYS A 14 -17.358 6.494 2.721 1.00 0.00 C ATOM 157 CE LYS A 14 -17.314 7.795 3.509 1.00 0.00 C ATOM 158 NZ LYS A 14 -17.549 7.571 4.962 1.00 0.00 N ATOM 0 H LYS A 14 -14.135 6.715 1.342 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.866 4.164 2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.347 5.330 0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -16.318 3.923 1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.944 5.182 3.662 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.213 6.513 2.788 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -17.636 6.702 1.688 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -18.129 5.843 3.134 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.345 8.273 3.367 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -18.067 8.481 3.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.511 8.481 5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.485 7.138 5.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.816 6.937 5.339 1.00 0.00 H new ATOM 172 N THR A 15 -14.448 4.272 -1.225 1.00 0.00 N ATOM 173 CA THR A 15 -14.390 3.492 -2.455 1.00 0.00 C ATOM 174 C THR A 15 -13.021 2.844 -2.631 1.00 0.00 C ATOM 175 O THR A 15 -12.919 1.644 -2.887 1.00 0.00 O ATOM 176 CB THR A 15 -14.695 4.364 -3.688 1.00 0.00 C ATOM 177 OG1 THR A 15 -15.994 4.953 -3.562 1.00 0.00 O ATOM 178 CG2 THR A 15 -14.629 3.538 -4.964 1.00 0.00 C ATOM 0 H THR A 15 -14.621 5.268 -1.365 1.00 0.00 H new ATOM 0 HA THR A 15 -15.149 2.714 -2.372 1.00 0.00 H new ATOM 0 HB THR A 15 -13.943 5.151 -3.744 1.00 0.00 H new ATOM 0 HG1 THR A 15 -15.974 5.644 -2.868 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.848 4.175 -5.821 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.630 3.114 -5.072 1.00 0.00 H new ATOM 0 HG23 THR A 15 -15.361 2.732 -4.914 1.00 0.00 H new ATOM 186 N PHE A 16 -11.970 3.645 -2.491 1.00 0.00 N ATOM 187 CA PHE A 16 -10.606 3.150 -2.635 1.00 0.00 C ATOM 188 C PHE A 16 -10.250 2.198 -1.496 1.00 0.00 C ATOM 189 O PHE A 16 -9.538 1.215 -1.694 1.00 0.00 O ATOM 190 CB PHE A 16 -9.617 4.317 -2.667 1.00 0.00 C ATOM 191 CG PHE A 16 -8.180 3.886 -2.607 1.00 0.00 C ATOM 192 CD1 PHE A 16 -7.584 3.583 -1.393 1.00 0.00 C ATOM 193 CD2 PHE A 16 -7.423 3.785 -3.763 1.00 0.00 C ATOM 194 CE1 PHE A 16 -6.262 3.186 -1.334 1.00 0.00 C ATOM 195 CE2 PHE A 16 -6.101 3.388 -3.710 1.00 0.00 C ATOM 196 CZ PHE A 16 -5.519 3.090 -2.494 1.00 0.00 C ATOM 0 H PHE A 16 -12.037 4.640 -2.278 1.00 0.00 H new ATOM 0 HA PHE A 16 -10.542 2.603 -3.576 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.777 4.894 -3.578 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.824 4.982 -1.828 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.160 3.658 -0.482 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.872 4.019 -4.717 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.810 2.951 -0.382 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.523 3.311 -4.619 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.485 2.782 -2.450 1.00 0.00 H new ATOM 206 N ASN A 17 -10.752 2.500 -0.303 1.00 0.00 N ATOM 207 CA ASN A 17 -10.486 1.673 0.869 1.00 0.00 C ATOM 208 C ASN A 17 -10.929 0.233 0.630 1.00 0.00 C ATOM 209 O ASN A 17 -10.441 -0.693 1.278 1.00 0.00 O ATOM 210 CB ASN A 17 -11.204 2.243 2.094 1.00 0.00 C ATOM 211 CG ASN A 17 -10.341 3.221 2.868 1.00 0.00 C ATOM 212 OD1 ASN A 17 -9.835 4.237 2.179 1.00 0.00 O flip ATOM 213 ND2 ASN A 17 -10.131 3.064 4.071 1.00 0.00 N flip ATOM 0 H ASN A 17 -11.345 3.310 -0.122 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.411 1.678 1.051 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.119 2.743 1.775 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.500 1.425 2.751 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.540 2.268 4.561 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.548 3.730 4.578 1.00 0.00 H new ATOM 220 N SER A 18 -11.857 0.052 -0.305 1.00 0.00 N ATOM 221 CA SER A 18 -12.368 -1.275 -0.627 1.00 0.00 C ATOM 222 C SER A 18 -11.509 -1.943 -1.696 1.00 0.00 C ATOM 223 O SER A 18 -11.127 -3.105 -1.563 1.00 0.00 O ATOM 224 CB SER A 18 -13.818 -1.183 -1.107 1.00 0.00 C ATOM 225 OG SER A 18 -14.715 -1.128 -0.011 1.00 0.00 O ATOM 0 H SER A 18 -12.270 0.807 -0.852 1.00 0.00 H new ATOM 0 HA SER A 18 -12.329 -1.882 0.278 1.00 0.00 H new ATOM 0 HB2 SER A 18 -13.943 -0.296 -1.728 1.00 0.00 H new ATOM 0 HB3 SER A 18 -14.053 -2.045 -1.731 1.00 0.00 H new ATOM 0 HG SER A 18 -15.635 -1.068 -0.344 1.00 0.00 H new ATOM 231 N GLU A 19 -11.209 -1.199 -2.756 1.00 0.00 N ATOM 232 CA GLU A 19 -10.395 -1.719 -3.849 1.00 0.00 C ATOM 233 C GLU A 19 -8.982 -2.040 -3.370 1.00 0.00 C ATOM 234 O GLU A 19 -8.402 -3.057 -3.750 1.00 0.00 O ATOM 235 CB GLU A 19 -10.340 -0.710 -4.998 1.00 0.00 C ATOM 236 CG GLU A 19 -11.702 -0.173 -5.403 1.00 0.00 C ATOM 237 CD GLU A 19 -12.556 -1.213 -6.101 1.00 0.00 C ATOM 238 OE1 GLU A 19 -12.144 -1.690 -7.180 1.00 0.00 O ATOM 239 OE2 GLU A 19 -13.634 -1.551 -5.570 1.00 0.00 O ATOM 0 H GLU A 19 -11.517 -0.235 -2.881 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.856 -2.640 -4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.702 0.124 -4.707 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.873 -1.182 -5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.225 0.185 -4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.569 0.684 -6.063 1.00 0.00 H new ATOM 246 N LEU A 20 -8.434 -1.165 -2.534 1.00 0.00 N ATOM 247 CA LEU A 20 -7.089 -1.353 -2.003 1.00 0.00 C ATOM 248 C LEU A 20 -6.930 -2.747 -1.404 1.00 0.00 C ATOM 249 O LEU A 20 -6.075 -3.523 -1.831 1.00 0.00 O ATOM 250 CB LEU A 20 -6.785 -0.293 -0.943 1.00 0.00 C ATOM 251 CG LEU A 20 -5.315 -0.138 -0.551 1.00 0.00 C ATOM 252 CD1 LEU A 20 -4.907 -1.224 0.432 1.00 0.00 C ATOM 253 CD2 LEU A 20 -4.427 -0.174 -1.787 1.00 0.00 C ATOM 0 H LEU A 20 -8.901 -0.318 -2.209 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.382 -1.248 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.147 0.669 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.356 -0.531 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.189 0.829 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.858 -1.097 0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.521 -1.152 1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.049 -2.202 -0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.384 -0.062 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.558 -1.126 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.702 0.641 -2.457 1.00 0.00 H new ATOM 265 N TYR A 21 -7.761 -3.058 -0.416 1.00 0.00 N ATOM 266 CA TYR A 21 -7.712 -4.359 0.242 1.00 0.00 C ATOM 267 C TYR A 21 -8.257 -5.452 -0.672 1.00 0.00 C ATOM 268 O TYR A 21 -7.942 -6.630 -0.506 1.00 0.00 O ATOM 269 CB TYR A 21 -8.511 -4.324 1.546 1.00 0.00 C ATOM 270 CG TYR A 21 -7.817 -3.575 2.661 1.00 0.00 C ATOM 271 CD1 TYR A 21 -7.711 -2.190 2.632 1.00 0.00 C ATOM 272 CD2 TYR A 21 -7.267 -4.251 3.742 1.00 0.00 C ATOM 273 CE1 TYR A 21 -7.078 -1.500 3.648 1.00 0.00 C ATOM 274 CE2 TYR A 21 -6.633 -3.570 4.763 1.00 0.00 C ATOM 275 CZ TYR A 21 -6.541 -2.195 4.711 1.00 0.00 C ATOM 276 OH TYR A 21 -5.908 -1.513 5.726 1.00 0.00 O ATOM 0 H TYR A 21 -8.476 -2.428 -0.053 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.670 -4.585 0.468 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.480 -3.861 1.357 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.704 -5.346 1.872 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.131 -1.643 1.801 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.336 -5.328 3.785 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.004 -0.423 3.610 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.212 -4.111 5.597 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.587 -2.150 6.398 1.00 0.00 H new ATOM 286 N SER A 22 -9.078 -5.052 -1.639 1.00 0.00 N ATOM 287 CA SER A 22 -9.670 -5.996 -2.579 1.00 0.00 C ATOM 288 C SER A 22 -8.609 -6.930 -3.152 1.00 0.00 C ATOM 289 O SER A 22 -8.890 -8.085 -3.476 1.00 0.00 O ATOM 290 CB SER A 22 -10.373 -5.247 -3.713 1.00 0.00 C ATOM 291 OG SER A 22 -11.263 -6.100 -4.412 1.00 0.00 O ATOM 0 H SER A 22 -9.348 -4.080 -1.791 1.00 0.00 H new ATOM 0 HA SER A 22 -10.404 -6.595 -2.040 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.922 -4.398 -3.307 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.631 -4.846 -4.403 1.00 0.00 H new ATOM 0 HG SER A 22 -11.701 -5.598 -5.131 1.00 0.00 H new ATOM 297 N LEU A 23 -7.387 -6.423 -3.275 1.00 0.00 N ATOM 298 CA LEU A 23 -6.282 -7.211 -3.809 1.00 0.00 C ATOM 299 C LEU A 23 -6.327 -8.641 -3.281 1.00 0.00 C ATOM 300 O LEU A 23 -5.946 -9.582 -3.976 1.00 0.00 O ATOM 301 CB LEU A 23 -4.945 -6.563 -3.444 1.00 0.00 C ATOM 302 CG LEU A 23 -4.487 -5.415 -4.345 1.00 0.00 C ATOM 303 CD1 LEU A 23 -3.242 -4.754 -3.775 1.00 0.00 C ATOM 304 CD2 LEU A 23 -4.228 -5.917 -5.758 1.00 0.00 C ATOM 0 H LEU A 23 -7.137 -5.470 -3.012 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.381 -7.241 -4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.011 -6.191 -2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.175 -7.335 -3.453 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.282 -4.671 -4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.931 -3.940 -4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.461 -4.359 -2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.440 -5.489 -3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.903 -5.087 -6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.451 -6.681 -5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.144 -6.343 -6.166 1.00 0.00 H new ATOM 316 N ASN A 24 -6.799 -8.797 -2.049 1.00 0.00 N ATOM 317 CA ASN A 24 -6.897 -10.113 -1.428 1.00 0.00 C ATOM 318 C ASN A 24 -7.552 -11.114 -2.375 1.00 0.00 C ATOM 319 O ASN A 24 -7.071 -12.235 -2.540 1.00 0.00 O ATOM 320 CB ASN A 24 -7.695 -10.028 -0.126 1.00 0.00 C ATOM 321 CG ASN A 24 -6.817 -9.718 1.071 1.00 0.00 C ATOM 322 OD1 ASN A 24 -6.634 -10.556 1.955 1.00 0.00 O ATOM 323 ND2 ASN A 24 -6.269 -8.509 1.105 1.00 0.00 N ATOM 0 H ASN A 24 -7.120 -8.028 -1.460 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.887 -10.458 -1.205 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.460 -9.257 -0.221 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.213 -10.972 0.042 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.669 -8.243 1.886 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.448 -7.846 0.350 1.00 0.00 H new ATOM 330 N ASP A 25 -8.652 -10.700 -2.995 1.00 0.00 N ATOM 331 CA ASP A 25 -9.373 -11.559 -3.928 1.00 0.00 C ATOM 332 C ASP A 25 -8.418 -12.187 -4.937 1.00 0.00 C ATOM 333 O ASP A 25 -8.558 -13.357 -5.295 1.00 0.00 O ATOM 334 CB ASP A 25 -10.454 -10.760 -4.658 1.00 0.00 C ATOM 335 CG ASP A 25 -11.534 -11.649 -5.242 1.00 0.00 C ATOM 336 OD1 ASP A 25 -12.472 -12.009 -4.501 1.00 0.00 O ATOM 337 OD2 ASP A 25 -11.442 -11.983 -6.442 1.00 0.00 O ATOM 0 H ASP A 25 -9.064 -9.775 -2.869 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.846 -12.358 -3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.907 -10.050 -3.966 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -9.995 -10.178 -5.457 1.00 0.00 H new ATOM 342 N TYR A 26 -7.447 -11.403 -5.394 1.00 0.00 N ATOM 343 CA TYR A 26 -6.471 -11.882 -6.365 1.00 0.00 C ATOM 344 C TYR A 26 -5.134 -12.180 -5.692 1.00 0.00 C ATOM 345 O TYR A 26 -4.789 -11.577 -4.676 1.00 0.00 O ATOM 346 CB TYR A 26 -6.277 -10.848 -7.476 1.00 0.00 C ATOM 347 CG TYR A 26 -7.540 -10.100 -7.834 1.00 0.00 C ATOM 348 CD1 TYR A 26 -8.002 -9.056 -7.042 1.00 0.00 C ATOM 349 CD2 TYR A 26 -8.273 -10.436 -8.966 1.00 0.00 C ATOM 350 CE1 TYR A 26 -9.156 -8.369 -7.365 1.00 0.00 C ATOM 351 CE2 TYR A 26 -9.428 -9.754 -9.298 1.00 0.00 C ATOM 352 CZ TYR A 26 -9.866 -8.722 -8.494 1.00 0.00 C ATOM 353 OH TYR A 26 -11.015 -8.040 -8.820 1.00 0.00 O ATOM 0 H TYR A 26 -7.315 -10.433 -5.107 1.00 0.00 H new ATOM 0 HA TYR A 26 -6.852 -12.806 -6.800 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.516 -10.132 -7.165 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -5.898 -11.350 -8.366 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.449 -8.777 -6.158 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.934 -11.244 -9.597 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.500 -7.560 -6.737 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.985 -10.027 -10.182 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.393 -8.412 -9.644 1.00 0.00 H new ATOM 363 N LYS A 27 -4.385 -13.113 -6.269 1.00 0.00 N ATOM 364 CA LYS A 27 -3.084 -13.492 -5.729 1.00 0.00 C ATOM 365 C LYS A 27 -1.959 -13.039 -6.653 1.00 0.00 C ATOM 366 O LYS A 27 -2.029 -13.185 -7.874 1.00 0.00 O ATOM 367 CB LYS A 27 -3.015 -15.008 -5.527 1.00 0.00 C ATOM 368 CG LYS A 27 -4.203 -15.576 -4.771 1.00 0.00 C ATOM 369 CD LYS A 27 -4.345 -17.072 -4.998 1.00 0.00 C ATOM 370 CE LYS A 27 -5.042 -17.372 -6.316 1.00 0.00 C ATOM 371 NZ LYS A 27 -6.525 -17.358 -6.174 1.00 0.00 N ATOM 0 H LYS A 27 -4.656 -13.621 -7.111 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.960 -12.998 -4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.949 -15.493 -6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.101 -15.253 -4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.086 -15.378 -3.706 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.114 -15.070 -5.091 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.359 -17.537 -4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.910 -17.514 -4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.741 -16.636 -7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.721 -18.347 -6.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.964 -17.567 -7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.814 -18.078 -5.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.834 -16.420 -5.848 1.00 0.00 H new ATOM 385 N PRO A 28 -0.895 -12.478 -6.060 1.00 0.00 N ATOM 386 CA PRO A 28 0.267 -11.994 -6.812 1.00 0.00 C ATOM 387 C PRO A 28 0.766 -13.016 -7.829 1.00 0.00 C ATOM 388 O PRO A 28 0.914 -14.201 -7.532 1.00 0.00 O ATOM 389 CB PRO A 28 1.321 -11.762 -5.726 1.00 0.00 C ATOM 390 CG PRO A 28 0.536 -11.504 -4.486 1.00 0.00 C ATOM 391 CD PRO A 28 -0.744 -12.272 -4.610 1.00 0.00 C ATOM 0 HA PRO A 28 0.033 -11.103 -7.395 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.969 -12.631 -5.611 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.963 -10.916 -5.971 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.092 -11.822 -3.604 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.337 -10.439 -4.370 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.694 -13.220 -4.075 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.585 -11.716 -4.196 1.00 0.00 H new ATOM 399 N PRO A 29 1.032 -12.548 -9.057 1.00 0.00 N ATOM 400 CA PRO A 29 0.859 -11.138 -9.422 1.00 0.00 C ATOM 401 C PRO A 29 -0.609 -10.730 -9.478 1.00 0.00 C ATOM 402 O PRO A 29 -1.496 -11.579 -9.570 1.00 0.00 O ATOM 403 CB PRO A 29 1.492 -11.052 -10.813 1.00 0.00 C ATOM 404 CG PRO A 29 1.389 -12.433 -11.362 1.00 0.00 C ATOM 405 CD PRO A 29 1.522 -13.358 -10.184 1.00 0.00 C ATOM 0 HA PRO A 29 1.312 -10.469 -8.691 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.966 -10.335 -11.444 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.530 -10.725 -10.756 1.00 0.00 H new ATOM 0 HG2 PRO A 29 0.435 -12.581 -11.869 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.173 -12.621 -12.096 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.930 -14.264 -10.315 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.555 -13.672 -10.034 1.00 0.00 H new ATOM 413 N ILE A 30 -0.858 -9.426 -9.423 1.00 0.00 N ATOM 414 CA ILE A 30 -2.219 -8.906 -9.469 1.00 0.00 C ATOM 415 C ILE A 30 -2.586 -8.453 -10.878 1.00 0.00 C ATOM 416 O ILE A 30 -1.857 -7.684 -11.504 1.00 0.00 O ATOM 417 CB ILE A 30 -2.403 -7.725 -8.498 1.00 0.00 C ATOM 418 CG1 ILE A 30 -2.038 -8.147 -7.073 1.00 0.00 C ATOM 419 CG2 ILE A 30 -3.835 -7.212 -8.554 1.00 0.00 C ATOM 420 CD1 ILE A 30 -2.914 -9.252 -6.526 1.00 0.00 C ATOM 0 H ILE A 30 -0.135 -8.710 -9.347 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.879 -9.720 -9.168 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.736 -6.917 -8.800 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.999 -8.476 -7.055 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.109 -7.280 -6.417 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.950 -6.377 -7.862 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.063 -6.878 -9.566 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.519 -8.013 -8.273 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.598 -9.499 -5.513 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.952 -8.920 -6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.825 -10.134 -7.160 1.00 0.00 H new ATOM 432 N SER A 31 -3.724 -8.934 -11.370 1.00 0.00 N ATOM 433 CA SER A 31 -4.188 -8.580 -12.706 1.00 0.00 C ATOM 434 C SER A 31 -3.899 -7.113 -13.011 1.00 0.00 C ATOM 435 O SER A 31 -4.320 -6.219 -12.277 1.00 0.00 O ATOM 436 CB SER A 31 -5.688 -8.854 -12.837 1.00 0.00 C ATOM 437 OG SER A 31 -5.965 -10.239 -12.719 1.00 0.00 O ATOM 0 H SER A 31 -4.341 -9.569 -10.864 1.00 0.00 H new ATOM 0 HA SER A 31 -3.649 -9.196 -13.426 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.230 -8.305 -12.067 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.045 -8.489 -13.800 1.00 0.00 H new ATOM 0 HG SER A 31 -6.930 -10.388 -12.804 1.00 0.00 H new ATOM 443 N LYS A 32 -3.178 -6.873 -14.101 1.00 0.00 N ATOM 444 CA LYS A 32 -2.832 -5.516 -14.506 1.00 0.00 C ATOM 445 C LYS A 32 -4.059 -4.611 -14.481 1.00 0.00 C ATOM 446 O LYS A 32 -3.957 -3.420 -14.190 1.00 0.00 O ATOM 447 CB LYS A 32 -2.218 -5.521 -15.908 1.00 0.00 C ATOM 448 CG LYS A 32 -1.629 -4.183 -16.320 1.00 0.00 C ATOM 449 CD LYS A 32 -0.492 -4.356 -17.312 1.00 0.00 C ATOM 450 CE LYS A 32 0.829 -4.621 -16.606 1.00 0.00 C ATOM 451 NZ LYS A 32 1.512 -3.357 -16.215 1.00 0.00 N ATOM 0 H LYS A 32 -2.822 -7.601 -14.720 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.101 -5.128 -13.797 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.437 -6.280 -15.951 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.983 -5.809 -16.629 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.408 -3.562 -16.763 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.266 -3.657 -15.437 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.718 -5.183 -17.985 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.404 -3.460 -17.926 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.651 -5.227 -15.718 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.481 -5.199 -17.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.408 -3.580 -15.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.705 -2.789 -17.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.900 -2.817 -15.570 1.00 0.00 H new ATOM 465 N ALA A 33 -5.219 -5.185 -14.785 1.00 0.00 N ATOM 466 CA ALA A 33 -6.466 -4.431 -14.793 1.00 0.00 C ATOM 467 C ALA A 33 -6.876 -4.033 -13.379 1.00 0.00 C ATOM 468 O ALA A 33 -7.515 -3.001 -13.174 1.00 0.00 O ATOM 469 CB ALA A 33 -7.569 -5.242 -15.457 1.00 0.00 C ATOM 0 H ALA A 33 -5.320 -6.170 -15.029 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.306 -3.518 -15.367 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.495 -4.667 -15.456 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.285 -5.470 -16.484 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.719 -6.171 -14.907 1.00 0.00 H new ATOM 475 N LYS A 34 -6.505 -4.859 -12.407 1.00 0.00 N ATOM 476 CA LYS A 34 -6.834 -4.594 -11.011 1.00 0.00 C ATOM 477 C LYS A 34 -6.181 -3.301 -10.534 1.00 0.00 C ATOM 478 O LYS A 34 -6.864 -2.369 -10.110 1.00 0.00 O ATOM 479 CB LYS A 34 -6.383 -5.761 -10.129 1.00 0.00 C ATOM 480 CG LYS A 34 -6.512 -5.484 -8.641 1.00 0.00 C ATOM 481 CD LYS A 34 -7.961 -5.279 -8.235 1.00 0.00 C ATOM 482 CE LYS A 34 -8.077 -4.376 -7.017 1.00 0.00 C ATOM 483 NZ LYS A 34 -9.343 -3.592 -7.025 1.00 0.00 N ATOM 0 H LYS A 34 -5.976 -5.718 -12.560 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.916 -4.484 -10.933 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.973 -6.643 -10.378 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.344 -5.998 -10.357 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.090 -6.316 -8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.932 -4.598 -8.384 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.515 -4.843 -9.066 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.419 -6.244 -8.019 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.030 -4.981 -6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.228 -3.693 -6.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.597 -3.333 -6.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.213 -2.729 -7.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.104 -4.166 -7.440 1.00 0.00 H new ATOM 497 N MET A 35 -4.855 -3.251 -10.608 1.00 0.00 N ATOM 498 CA MET A 35 -4.111 -2.070 -10.186 1.00 0.00 C ATOM 499 C MET A 35 -4.803 -0.794 -10.655 1.00 0.00 C ATOM 500 O MET A 35 -4.754 0.236 -9.981 1.00 0.00 O ATOM 501 CB MET A 35 -2.682 -2.119 -10.732 1.00 0.00 C ATOM 502 CG MET A 35 -1.735 -2.948 -9.881 1.00 0.00 C ATOM 503 SD MET A 35 -1.470 -2.240 -8.245 1.00 0.00 S ATOM 504 CE MET A 35 -1.161 -3.718 -7.282 1.00 0.00 C ATOM 0 H MET A 35 -4.274 -4.014 -10.956 1.00 0.00 H new ATOM 0 HA MET A 35 -4.077 -2.064 -9.097 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.702 -2.528 -11.742 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.295 -1.103 -10.807 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.136 -3.956 -9.776 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.777 -3.038 -10.393 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.926 -3.440 -6.254 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.048 -4.351 -7.293 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.321 -4.263 -7.712 1.00 0.00 H new ATOM 514 N THR A 36 -5.450 -0.869 -11.814 1.00 0.00 N ATOM 515 CA THR A 36 -6.151 0.280 -12.374 1.00 0.00 C ATOM 516 C THR A 36 -7.451 0.548 -11.624 1.00 0.00 C ATOM 517 O THR A 36 -7.803 1.700 -11.368 1.00 0.00 O ATOM 518 CB THR A 36 -6.466 0.073 -13.867 1.00 0.00 C ATOM 519 OG1 THR A 36 -5.262 0.155 -14.638 1.00 0.00 O ATOM 520 CG2 THR A 36 -7.462 1.112 -14.359 1.00 0.00 C ATOM 0 H THR A 36 -5.503 -1.714 -12.383 1.00 0.00 H new ATOM 0 HA THR A 36 -5.488 1.139 -12.266 1.00 0.00 H new ATOM 0 HB THR A 36 -6.908 -0.916 -13.989 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.471 0.021 -15.586 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.669 0.946 -15.416 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.388 1.027 -13.790 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.044 2.109 -14.224 1.00 0.00 H new ATOM 528 N GLN A 37 -8.159 -0.521 -11.275 1.00 0.00 N ATOM 529 CA GLN A 37 -9.421 -0.398 -10.554 1.00 0.00 C ATOM 530 C GLN A 37 -9.236 0.391 -9.263 1.00 0.00 C ATOM 531 O GLN A 37 -10.134 1.115 -8.833 1.00 0.00 O ATOM 532 CB GLN A 37 -9.991 -1.783 -10.242 1.00 0.00 C ATOM 533 CG GLN A 37 -10.497 -2.524 -11.469 1.00 0.00 C ATOM 534 CD GLN A 37 -11.801 -1.958 -11.996 1.00 0.00 C ATOM 535 OE1 GLN A 37 -11.717 -0.840 -12.709 1.00 0.00 O flip ATOM 536 NE2 GLN A 37 -12.872 -2.518 -11.765 1.00 0.00 N flip ATOM 0 H GLN A 37 -7.881 -1.481 -11.479 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.123 0.141 -11.190 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.221 -2.383 -9.758 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -10.808 -1.678 -9.529 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.742 -2.478 -12.254 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.636 -3.576 -11.222 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -12.891 -3.375 -11.213 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -13.741 -2.125 -12.126 1.00 0.00 H new ATOM 545 N ILE A 38 -8.066 0.247 -8.649 1.00 0.00 N ATOM 546 CA ILE A 38 -7.764 0.947 -7.407 1.00 0.00 C ATOM 547 C ILE A 38 -7.320 2.381 -7.679 1.00 0.00 C ATOM 548 O ILE A 38 -7.880 3.331 -7.131 1.00 0.00 O ATOM 549 CB ILE A 38 -6.665 0.224 -6.606 1.00 0.00 C ATOM 550 CG1 ILE A 38 -6.921 -1.284 -6.593 1.00 0.00 C ATOM 551 CG2 ILE A 38 -6.600 0.768 -5.187 1.00 0.00 C ATOM 552 CD1 ILE A 38 -5.919 -2.061 -5.769 1.00 0.00 C ATOM 0 H ILE A 38 -7.312 -0.348 -8.992 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.682 0.958 -6.819 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.705 0.406 -7.089 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.922 -1.471 -6.204 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.903 -1.656 -7.617 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.819 0.247 -4.633 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.375 1.834 -5.216 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.559 0.613 -4.694 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.163 -3.123 -5.806 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.918 -1.905 -6.171 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.953 -1.717 -4.735 1.00 0.00 H new ATOM 564 N THR A 39 -6.309 2.530 -8.530 1.00 0.00 N ATOM 565 CA THR A 39 -5.790 3.847 -8.875 1.00 0.00 C ATOM 566 C THR A 39 -6.920 4.814 -9.208 1.00 0.00 C ATOM 567 O THR A 39 -6.862 5.996 -8.865 1.00 0.00 O ATOM 568 CB THR A 39 -4.823 3.774 -10.072 1.00 0.00 C ATOM 569 OG1 THR A 39 -3.714 2.926 -9.755 1.00 0.00 O ATOM 570 CG2 THR A 39 -4.318 5.159 -10.446 1.00 0.00 C ATOM 0 H THR A 39 -5.834 1.755 -8.992 1.00 0.00 H new ATOM 0 HA THR A 39 -5.249 4.212 -8.002 1.00 0.00 H new ATOM 0 HB THR A 39 -5.365 3.361 -10.923 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.993 1.988 -9.809 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.637 5.081 -11.294 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.162 5.794 -10.716 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.792 5.596 -9.597 1.00 0.00 H new ATOM 578 N LYS A 40 -7.949 4.306 -9.877 1.00 0.00 N ATOM 579 CA LYS A 40 -9.096 5.124 -10.255 1.00 0.00 C ATOM 580 C LYS A 40 -9.795 5.684 -9.020 1.00 0.00 C ATOM 581 O LYS A 40 -10.134 6.866 -8.970 1.00 0.00 O ATOM 582 CB LYS A 40 -10.084 4.301 -11.085 1.00 0.00 C ATOM 583 CG LYS A 40 -9.581 3.974 -12.480 1.00 0.00 C ATOM 584 CD LYS A 40 -10.169 2.670 -12.993 1.00 0.00 C ATOM 585 CE LYS A 40 -11.500 2.896 -13.693 1.00 0.00 C ATOM 586 NZ LYS A 40 -12.645 2.836 -12.741 1.00 0.00 N ATOM 0 H LYS A 40 -8.013 3.331 -10.169 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.734 5.959 -10.855 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.301 3.371 -10.559 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -11.023 4.849 -11.165 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.841 4.784 -13.161 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.493 3.904 -12.469 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.469 2.201 -13.684 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.307 1.980 -12.161 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.490 3.867 -14.188 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.634 2.144 -14.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.318 2.107 -13.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.294 2.599 -11.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.122 3.760 -12.714 1.00 0.00 H new ATOM 600 N ALA A 41 -10.008 4.827 -8.027 1.00 0.00 N ATOM 601 CA ALA A 41 -10.664 5.238 -6.791 1.00 0.00 C ATOM 602 C ALA A 41 -9.779 6.185 -5.989 1.00 0.00 C ATOM 603 O ALA A 41 -10.245 7.206 -5.482 1.00 0.00 O ATOM 604 CB ALA A 41 -11.028 4.019 -5.957 1.00 0.00 C ATOM 0 H ALA A 41 -9.736 3.844 -8.054 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.578 5.771 -7.053 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.517 4.340 -5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.705 3.379 -6.524 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.123 3.463 -5.712 1.00 0.00 H new ATOM 610 N ALA A 42 -8.500 5.841 -5.876 1.00 0.00 N ATOM 611 CA ALA A 42 -7.550 6.661 -5.136 1.00 0.00 C ATOM 612 C ALA A 42 -7.468 8.068 -5.719 1.00 0.00 C ATOM 613 O ALA A 42 -7.836 9.044 -5.065 1.00 0.00 O ATOM 614 CB ALA A 42 -6.176 6.007 -5.134 1.00 0.00 C ATOM 0 H ALA A 42 -8.098 4.999 -6.288 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.902 6.742 -4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.477 6.631 -4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.241 5.026 -4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.825 5.895 -6.160 1.00 0.00 H new ATOM 620 N ILE A 43 -6.983 8.164 -6.953 1.00 0.00 N ATOM 621 CA ILE A 43 -6.853 9.451 -7.624 1.00 0.00 C ATOM 622 C ILE A 43 -8.141 10.260 -7.514 1.00 0.00 C ATOM 623 O ILE A 43 -8.115 11.491 -7.494 1.00 0.00 O ATOM 624 CB ILE A 43 -6.495 9.277 -9.111 1.00 0.00 C ATOM 625 CG1 ILE A 43 -5.168 8.528 -9.254 1.00 0.00 C ATOM 626 CG2 ILE A 43 -6.421 10.632 -9.800 1.00 0.00 C ATOM 627 CD1 ILE A 43 -3.955 9.393 -8.998 1.00 0.00 C ATOM 0 H ILE A 43 -6.674 7.366 -7.508 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.046 9.987 -7.125 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.277 8.689 -9.591 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.158 7.688 -8.560 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.102 8.112 -10.259 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.167 10.492 -10.851 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.386 11.132 -9.723 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.657 11.243 -9.320 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.051 8.796 -9.117 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.941 10.219 -9.709 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.998 9.788 -7.983 1.00 0.00 H new ATOM 639 N LYS A 44 -9.269 9.561 -7.442 1.00 0.00 N ATOM 640 CA LYS A 44 -10.568 10.212 -7.331 1.00 0.00 C ATOM 641 C LYS A 44 -10.774 10.782 -5.931 1.00 0.00 C ATOM 642 O LYS A 44 -11.473 11.779 -5.753 1.00 0.00 O ATOM 643 CB LYS A 44 -11.688 9.222 -7.659 1.00 0.00 C ATOM 644 CG LYS A 44 -12.068 9.199 -9.130 1.00 0.00 C ATOM 645 CD LYS A 44 -13.185 10.184 -9.432 1.00 0.00 C ATOM 646 CE LYS A 44 -12.693 11.622 -9.366 1.00 0.00 C ATOM 647 NZ LYS A 44 -11.538 11.856 -10.276 1.00 0.00 N ATOM 0 H LYS A 44 -9.309 8.542 -7.459 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.596 11.034 -8.047 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.377 8.222 -7.357 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.569 9.474 -7.069 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.195 9.440 -9.736 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.382 8.194 -9.410 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.591 9.982 -10.423 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.998 10.043 -8.720 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.507 12.297 -9.632 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.403 11.860 -8.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.696 12.728 -10.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.668 11.951 -9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.443 11.053 -10.930 1.00 0.00 H new ATOM 661 N ALA A 45 -10.158 10.144 -4.941 1.00 0.00 N ATOM 662 CA ALA A 45 -10.271 10.590 -3.558 1.00 0.00 C ATOM 663 C ALA A 45 -9.116 11.513 -3.183 1.00 0.00 C ATOM 664 O ALA A 45 -8.864 11.759 -2.003 1.00 0.00 O ATOM 665 CB ALA A 45 -10.318 9.394 -2.620 1.00 0.00 C ATOM 0 H ALA A 45 -9.576 9.317 -5.071 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.199 11.153 -3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.402 9.742 -1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.180 8.773 -2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.406 8.808 -2.731 1.00 0.00 H new ATOM 671 N ILE A 46 -8.418 12.021 -4.194 1.00 0.00 N ATOM 672 CA ILE A 46 -7.291 12.917 -3.969 1.00 0.00 C ATOM 673 C ILE A 46 -7.631 13.978 -2.929 1.00 0.00 C ATOM 674 O ILE A 46 -6.851 14.238 -2.012 1.00 0.00 O ATOM 675 CB ILE A 46 -6.856 13.612 -5.273 1.00 0.00 C ATOM 676 CG1 ILE A 46 -5.389 14.039 -5.184 1.00 0.00 C ATOM 677 CG2 ILE A 46 -7.747 14.813 -5.555 1.00 0.00 C ATOM 678 CD1 ILE A 46 -4.689 14.079 -6.524 1.00 0.00 C ATOM 0 H ILE A 46 -8.614 11.827 -5.176 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.468 12.303 -3.602 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.960 12.906 -6.097 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.334 15.026 -4.725 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.858 13.351 -4.526 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.428 15.294 -6.480 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.781 14.483 -5.656 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.672 15.523 -4.732 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.654 14.390 -6.384 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.713 13.088 -6.977 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.196 14.789 -7.178 1.00 0.00 H new ATOM 690 N LYS A 47 -8.803 14.588 -3.075 1.00 0.00 N ATOM 691 CA LYS A 47 -9.250 15.620 -2.147 1.00 0.00 C ATOM 692 C LYS A 47 -9.098 15.155 -0.702 1.00 0.00 C ATOM 693 O LYS A 47 -8.732 15.936 0.176 1.00 0.00 O ATOM 694 CB LYS A 47 -10.709 15.988 -2.426 1.00 0.00 C ATOM 695 CG LYS A 47 -11.642 14.789 -2.461 1.00 0.00 C ATOM 696 CD LYS A 47 -12.863 15.059 -3.324 1.00 0.00 C ATOM 697 CE LYS A 47 -13.697 13.802 -3.518 1.00 0.00 C ATOM 698 NZ LYS A 47 -14.491 13.851 -4.777 1.00 0.00 N ATOM 0 H LYS A 47 -9.461 14.385 -3.828 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.625 16.501 -2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.053 16.683 -1.660 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.767 16.511 -3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.107 13.921 -2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.959 14.543 -1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.473 15.834 -2.860 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.547 15.441 -4.295 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.042 12.931 -3.536 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.370 13.678 -2.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.045 12.976 -4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.135 14.668 -4.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.848 13.944 -5.589 1.00 0.00 H new ATOM 712 N PHE A 48 -9.381 13.879 -0.464 1.00 0.00 N ATOM 713 CA PHE A 48 -9.276 13.310 0.875 1.00 0.00 C ATOM 714 C PHE A 48 -8.168 12.262 0.935 1.00 0.00 C ATOM 715 O PHE A 48 -8.116 11.451 1.860 1.00 0.00 O ATOM 716 CB PHE A 48 -10.608 12.685 1.293 1.00 0.00 C ATOM 717 CG PHE A 48 -11.805 13.496 0.885 1.00 0.00 C ATOM 718 CD1 PHE A 48 -11.757 14.880 0.897 1.00 0.00 C ATOM 719 CD2 PHE A 48 -12.978 12.873 0.489 1.00 0.00 C ATOM 720 CE1 PHE A 48 -12.857 15.629 0.523 1.00 0.00 C ATOM 721 CE2 PHE A 48 -14.081 13.616 0.113 1.00 0.00 C ATOM 722 CZ PHE A 48 -14.020 14.996 0.129 1.00 0.00 C ATOM 0 H PHE A 48 -9.685 13.219 -1.180 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.028 14.115 1.566 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.687 11.690 0.855 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.617 12.558 2.376 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.850 15.380 1.202 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -13.031 11.794 0.474 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.807 16.708 0.539 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -14.989 13.118 -0.193 1.00 0.00 H new ATOM 0 HZ PHE A 48 -14.880 15.579 -0.166 1.00 0.00 H new ATOM 732 N TYR A 49 -7.287 12.285 -0.058 1.00 0.00 N ATOM 733 CA TYR A 49 -6.182 11.335 -0.121 1.00 0.00 C ATOM 734 C TYR A 49 -5.587 11.099 1.264 1.00 0.00 C ATOM 735 O TYR A 49 -5.112 10.005 1.570 1.00 0.00 O ATOM 736 CB TYR A 49 -5.098 11.844 -1.074 1.00 0.00 C ATOM 737 CG TYR A 49 -4.035 12.676 -0.393 1.00 0.00 C ATOM 738 CD1 TYR A 49 -4.332 13.932 0.121 1.00 0.00 C ATOM 739 CD2 TYR A 49 -2.734 12.206 -0.263 1.00 0.00 C ATOM 740 CE1 TYR A 49 -3.364 14.697 0.743 1.00 0.00 C ATOM 741 CE2 TYR A 49 -1.760 12.962 0.359 1.00 0.00 C ATOM 742 CZ TYR A 49 -2.080 14.207 0.860 1.00 0.00 C ATOM 743 OH TYR A 49 -1.112 14.964 1.480 1.00 0.00 O ATOM 0 H TYR A 49 -7.316 12.951 -0.830 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.571 10.388 -0.496 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.624 10.991 -1.560 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -5.566 12.439 -1.859 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.337 14.317 0.033 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.480 11.232 -0.655 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.611 15.672 1.135 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.754 12.581 0.453 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.528 15.533 2.161 1.00 0.00 H new ATOM 753 N LYS A 50 -5.618 12.132 2.098 1.00 0.00 N ATOM 754 CA LYS A 50 -5.084 12.040 3.452 1.00 0.00 C ATOM 755 C LYS A 50 -5.412 10.686 4.074 1.00 0.00 C ATOM 756 O LYS A 50 -4.701 10.211 4.961 1.00 0.00 O ATOM 757 CB LYS A 50 -5.650 13.164 4.323 1.00 0.00 C ATOM 758 CG LYS A 50 -5.144 14.544 3.940 1.00 0.00 C ATOM 759 CD LYS A 50 -6.080 15.637 4.428 1.00 0.00 C ATOM 760 CE LYS A 50 -7.241 15.845 3.468 1.00 0.00 C ATOM 761 NZ LYS A 50 -8.458 16.339 4.170 1.00 0.00 N ATOM 0 H LYS A 50 -6.008 13.044 1.860 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.000 12.143 3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.738 13.153 4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.395 12.969 5.365 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.151 14.699 4.363 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.043 14.608 2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.464 15.375 5.414 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.526 16.569 4.539 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.951 16.559 2.697 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.468 14.906 2.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.227 16.468 3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.749 15.646 4.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.249 17.248 4.630 1.00 0.00 H new ATOM 775 N HIS A 51 -6.491 10.069 3.603 1.00 0.00 N ATOM 776 CA HIS A 51 -6.911 8.768 4.113 1.00 0.00 C ATOM 777 C HIS A 51 -6.345 7.640 3.255 1.00 0.00 C ATOM 778 O HIS A 51 -5.800 6.666 3.774 1.00 0.00 O ATOM 779 CB HIS A 51 -8.437 8.680 4.150 1.00 0.00 C ATOM 780 CG HIS A 51 -9.034 9.169 5.433 1.00 0.00 C ATOM 781 ND1 HIS A 51 -10.025 8.489 6.109 1.00 0.00 N ATOM 782 CD2 HIS A 51 -8.774 10.278 6.165 1.00 0.00 C ATOM 783 CE1 HIS A 51 -10.350 9.159 7.201 1.00 0.00 C ATOM 784 NE2 HIS A 51 -9.604 10.248 7.258 1.00 0.00 N ATOM 0 H HIS A 51 -7.090 10.448 2.870 1.00 0.00 H new ATOM 0 HA HIS A 51 -6.524 8.660 5.126 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.846 9.261 3.324 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -8.737 7.644 3.991 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -8.049 11.044 5.932 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -11.098 8.866 7.923 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -9.639 10.952 7.995 1.00 0.00 H new ATOM 792 N VAL A 52 -6.479 7.779 1.940 1.00 0.00 N ATOM 793 CA VAL A 52 -5.981 6.772 1.010 1.00 0.00 C ATOM 794 C VAL A 52 -4.543 6.385 1.338 1.00 0.00 C ATOM 795 O VAL A 52 -4.272 5.261 1.760 1.00 0.00 O ATOM 796 CB VAL A 52 -6.048 7.271 -0.446 1.00 0.00 C ATOM 797 CG1 VAL A 52 -5.153 6.427 -1.341 1.00 0.00 C ATOM 798 CG2 VAL A 52 -7.484 7.256 -0.948 1.00 0.00 C ATOM 0 H VAL A 52 -6.928 8.579 1.494 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.623 5.897 1.116 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.687 8.299 -0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.213 6.794 -2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.123 6.493 -0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.481 5.388 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.513 7.611 -1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.874 6.239 -0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.095 7.907 -0.322 1.00 0.00 H new ATOM 808 N VAL A 53 -3.624 7.325 1.141 1.00 0.00 N ATOM 809 CA VAL A 53 -2.212 7.084 1.417 1.00 0.00 C ATOM 810 C VAL A 53 -2.037 6.161 2.618 1.00 0.00 C ATOM 811 O VAL A 53 -1.322 5.162 2.546 1.00 0.00 O ATOM 812 CB VAL A 53 -1.459 8.401 1.681 1.00 0.00 C ATOM 813 CG1 VAL A 53 -0.091 8.121 2.285 1.00 0.00 C ATOM 814 CG2 VAL A 53 -1.330 9.207 0.398 1.00 0.00 C ATOM 0 H VAL A 53 -3.832 8.260 0.791 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.793 6.606 0.531 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.032 8.991 2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.427 9.063 2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.212 7.587 3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.493 7.512 1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.795 10.134 0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.779 8.627 -0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.323 9.438 0.012 1.00 0.00 H new ATOM 824 N GLN A 54 -2.696 6.502 3.721 1.00 0.00 N ATOM 825 CA GLN A 54 -2.613 5.704 4.938 1.00 0.00 C ATOM 826 C GLN A 54 -3.004 4.255 4.666 1.00 0.00 C ATOM 827 O GLN A 54 -2.201 3.340 4.849 1.00 0.00 O ATOM 828 CB GLN A 54 -3.516 6.293 6.023 1.00 0.00 C ATOM 829 CG GLN A 54 -3.218 5.765 7.416 1.00 0.00 C ATOM 830 CD GLN A 54 -3.577 6.756 8.506 1.00 0.00 C ATOM 831 OE1 GLN A 54 -2.941 7.801 8.645 1.00 0.00 O ATOM 832 NE2 GLN A 54 -4.603 6.433 9.285 1.00 0.00 N ATOM 0 H GLN A 54 -3.293 7.325 3.796 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.580 5.724 5.285 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.408 7.378 6.024 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.555 6.076 5.776 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -3.771 4.839 7.575 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.158 5.520 7.488 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.102 5.556 9.134 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.892 7.062 10.034 1.00 0.00 H new ATOM 841 N SER A 55 -4.243 4.053 4.229 1.00 0.00 N ATOM 842 CA SER A 55 -4.742 2.715 3.937 1.00 0.00 C ATOM 843 C SER A 55 -3.719 1.917 3.135 1.00 0.00 C ATOM 844 O SER A 55 -3.526 0.723 3.366 1.00 0.00 O ATOM 845 CB SER A 55 -6.061 2.797 3.164 1.00 0.00 C ATOM 846 OG SER A 55 -7.158 2.963 4.045 1.00 0.00 O ATOM 0 H SER A 55 -4.920 4.799 4.069 1.00 0.00 H new ATOM 0 HA SER A 55 -4.915 2.204 4.884 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.024 3.631 2.463 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.198 1.890 2.574 1.00 0.00 H new ATOM 0 HG SER A 55 -7.720 3.702 3.732 1.00 0.00 H new ATOM 852 N VAL A 56 -3.065 2.585 2.190 1.00 0.00 N ATOM 853 CA VAL A 56 -2.060 1.941 1.353 1.00 0.00 C ATOM 854 C VAL A 56 -0.886 1.444 2.189 1.00 0.00 C ATOM 855 O VAL A 56 -0.310 0.394 1.905 1.00 0.00 O ATOM 856 CB VAL A 56 -1.535 2.899 0.268 1.00 0.00 C ATOM 857 CG1 VAL A 56 -0.435 2.233 -0.546 1.00 0.00 C ATOM 858 CG2 VAL A 56 -2.671 3.358 -0.632 1.00 0.00 C ATOM 0 H VAL A 56 -3.214 3.573 1.985 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.545 1.092 0.872 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.112 3.777 0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.076 2.925 -1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.389 1.959 0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.829 1.337 -1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.282 4.034 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.126 2.493 -1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.421 3.877 -0.035 1.00 0.00 H new ATOM 868 N GLU A 57 -0.537 2.205 3.221 1.00 0.00 N ATOM 869 CA GLU A 57 0.569 1.841 4.098 1.00 0.00 C ATOM 870 C GLU A 57 0.152 0.745 5.075 1.00 0.00 C ATOM 871 O GLU A 57 0.893 -0.211 5.307 1.00 0.00 O ATOM 872 CB GLU A 57 1.061 3.067 4.871 1.00 0.00 C ATOM 873 CG GLU A 57 1.621 4.163 3.980 1.00 0.00 C ATOM 874 CD GLU A 57 2.407 5.202 4.757 1.00 0.00 C ATOM 875 OE1 GLU A 57 2.085 5.423 5.943 1.00 0.00 O ATOM 876 OE2 GLU A 57 3.342 5.794 4.179 1.00 0.00 O ATOM 0 H GLU A 57 -1.004 3.077 3.470 1.00 0.00 H new ATOM 0 HA GLU A 57 1.380 1.461 3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.236 3.472 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.830 2.756 5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.266 3.717 3.223 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.802 4.652 3.453 1.00 0.00 H new ATOM 883 N LYS A 58 -1.039 0.891 5.645 1.00 0.00 N ATOM 884 CA LYS A 58 -1.557 -0.085 6.596 1.00 0.00 C ATOM 885 C LYS A 58 -1.822 -1.423 5.912 1.00 0.00 C ATOM 886 O LYS A 58 -1.247 -2.446 6.285 1.00 0.00 O ATOM 887 CB LYS A 58 -2.845 0.434 7.241 1.00 0.00 C ATOM 888 CG LYS A 58 -2.754 1.879 7.701 1.00 0.00 C ATOM 889 CD LYS A 58 -1.700 2.055 8.781 1.00 0.00 C ATOM 890 CE LYS A 58 -2.163 1.480 10.111 1.00 0.00 C ATOM 891 NZ LYS A 58 -1.777 0.049 10.262 1.00 0.00 N ATOM 0 H LYS A 58 -1.664 1.677 5.465 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.805 -0.235 7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.663 0.339 6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.093 -0.196 8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.515 2.518 6.851 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.723 2.203 8.081 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.777 1.564 8.473 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.474 3.114 8.901 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.732 2.060 10.927 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.246 1.574 10.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.328 -0.380 11.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.970 -0.458 9.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.763 -0.016 10.484 1.00 0.00 H new ATOM 905 N PHE A 59 -2.695 -1.408 4.911 1.00 0.00 N ATOM 906 CA PHE A 59 -3.036 -2.620 4.175 1.00 0.00 C ATOM 907 C PHE A 59 -1.798 -3.481 3.944 1.00 0.00 C ATOM 908 O PHE A 59 -1.874 -4.710 3.950 1.00 0.00 O ATOM 909 CB PHE A 59 -3.681 -2.264 2.834 1.00 0.00 C ATOM 910 CG PHE A 59 -3.472 -3.306 1.773 1.00 0.00 C ATOM 911 CD1 PHE A 59 -4.377 -4.344 1.615 1.00 0.00 C ATOM 912 CD2 PHE A 59 -2.372 -3.248 0.932 1.00 0.00 C ATOM 913 CE1 PHE A 59 -4.187 -5.305 0.641 1.00 0.00 C ATOM 914 CE2 PHE A 59 -2.178 -4.206 -0.045 1.00 0.00 C ATOM 915 CZ PHE A 59 -3.087 -5.235 -0.192 1.00 0.00 C ATOM 0 H PHE A 59 -3.180 -0.570 4.590 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.748 -3.190 4.772 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.751 -2.117 2.982 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.274 -1.315 2.485 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.241 -4.402 2.261 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.658 -2.445 1.041 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.898 -6.111 0.531 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.316 -4.150 -0.693 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.938 -5.983 -0.956 1.00 0.00 H new ATOM 925 N ILE A 60 -0.659 -2.828 3.739 1.00 0.00 N ATOM 926 CA ILE A 60 0.595 -3.533 3.506 1.00 0.00 C ATOM 927 C ILE A 60 1.007 -4.342 4.732 1.00 0.00 C ATOM 928 O ILE A 60 1.465 -5.477 4.612 1.00 0.00 O ATOM 929 CB ILE A 60 1.731 -2.558 3.144 1.00 0.00 C ATOM 930 CG1 ILE A 60 1.554 -2.045 1.713 1.00 0.00 C ATOM 931 CG2 ILE A 60 3.083 -3.236 3.306 1.00 0.00 C ATOM 932 CD1 ILE A 60 2.511 -0.932 1.348 1.00 0.00 C ATOM 0 H ILE A 60 -0.579 -1.811 3.730 1.00 0.00 H new ATOM 0 HA ILE A 60 0.426 -4.208 2.667 1.00 0.00 H new ATOM 0 HB ILE A 60 1.690 -1.707 3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.692 -2.874 1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.531 -1.690 1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.875 -2.534 3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.207 -3.557 4.340 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.136 -4.103 2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.329 -0.618 0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.358 -0.086 2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.537 -1.289 1.442 1.00 0.00 H new ATOM 944 N GLN A 61 0.838 -3.749 5.909 1.00 0.00 N ATOM 945 CA GLN A 61 1.191 -4.415 7.157 1.00 0.00 C ATOM 946 C GLN A 61 0.146 -5.462 7.530 1.00 0.00 C ATOM 947 O GLN A 61 0.452 -6.451 8.196 1.00 0.00 O ATOM 948 CB GLN A 61 1.329 -3.391 8.285 1.00 0.00 C ATOM 949 CG GLN A 61 0.000 -2.832 8.765 1.00 0.00 C ATOM 950 CD GLN A 61 0.028 -2.436 10.228 1.00 0.00 C ATOM 951 OE1 GLN A 61 0.487 -1.221 10.505 1.00 0.00 O flip ATOM 952 NE2 GLN A 61 -0.359 -3.213 11.101 1.00 0.00 N flip ATOM 0 H GLN A 61 0.459 -2.809 6.025 1.00 0.00 H new ATOM 0 HA GLN A 61 2.147 -4.918 7.013 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.843 -3.856 9.126 1.00 0.00 H new ATOM 0 HB3 GLN A 61 1.957 -2.569 7.943 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.263 -1.963 8.162 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.781 -3.576 8.609 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.704 -4.138 10.844 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.334 -2.932 12.081 1.00 0.00 H new ATOM 961 N LYS A 62 -1.090 -5.237 7.097 1.00 0.00 N ATOM 962 CA LYS A 62 -2.181 -6.161 7.383 1.00 0.00 C ATOM 963 C LYS A 62 -2.184 -7.324 6.396 1.00 0.00 C ATOM 964 O LYS A 62 -2.595 -8.435 6.733 1.00 0.00 O ATOM 965 CB LYS A 62 -3.524 -5.428 7.328 1.00 0.00 C ATOM 966 CG LYS A 62 -3.505 -4.072 8.011 1.00 0.00 C ATOM 967 CD LYS A 62 -3.353 -4.208 9.517 1.00 0.00 C ATOM 968 CE LYS A 62 -4.637 -4.706 10.164 1.00 0.00 C ATOM 969 NZ LYS A 62 -5.526 -3.582 10.569 1.00 0.00 N ATOM 0 H LYS A 62 -1.361 -4.422 6.546 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.032 -6.560 8.386 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.814 -5.296 6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.287 -6.050 7.795 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.684 -3.475 7.614 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.427 -3.537 7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.540 -4.899 9.741 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.079 -3.244 9.945 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.167 -5.355 9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.393 -5.309 11.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.390 -3.963 11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.030 -2.976 11.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.780 -3.021 9.731 1.00 0.00 H new ATOM 983 N CYS A 63 -1.722 -7.061 5.179 1.00 0.00 N ATOM 984 CA CYS A 63 -1.670 -8.087 4.143 1.00 0.00 C ATOM 985 C CYS A 63 -0.719 -9.212 4.539 1.00 0.00 C ATOM 986 O CYS A 63 -0.103 -9.173 5.604 1.00 0.00 O ATOM 987 CB CYS A 63 -1.230 -7.475 2.812 1.00 0.00 C ATOM 988 SG CYS A 63 0.559 -7.259 2.655 1.00 0.00 S ATOM 0 H CYS A 63 -1.378 -6.147 4.885 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.670 -8.505 4.029 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.581 -8.110 1.999 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.714 -6.506 2.692 1.00 0.00 H new ATOM 0 HG CYS A 63 1.018 -6.660 3.714 1.00 0.00 H new ATOM 994 N LYS A 64 -0.606 -10.215 3.675 1.00 0.00 N ATOM 995 CA LYS A 64 0.269 -11.352 3.933 1.00 0.00 C ATOM 996 C LYS A 64 1.638 -11.141 3.296 1.00 0.00 C ATOM 997 O LYS A 64 1.798 -10.367 2.352 1.00 0.00 O ATOM 998 CB LYS A 64 -0.362 -12.639 3.396 1.00 0.00 C ATOM 999 CG LYS A 64 -1.711 -12.960 4.015 1.00 0.00 C ATOM 1000 CD LYS A 64 -2.851 -12.357 3.212 1.00 0.00 C ATOM 1001 CE LYS A 64 -4.167 -12.428 3.972 1.00 0.00 C ATOM 1002 NZ LYS A 64 -4.022 -11.961 5.378 1.00 0.00 N ATOM 0 H LYS A 64 -1.110 -10.263 2.789 1.00 0.00 H new ATOM 0 HA LYS A 64 0.400 -11.440 5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.479 -12.553 2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.319 -13.471 3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.838 -14.041 4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.743 -12.580 5.036 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.621 -11.318 2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.948 -12.885 2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.914 -11.819 3.462 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.535 -13.454 3.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.948 -11.654 5.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.661 -12.739 5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.355 -11.164 5.412 1.00 0.00 H new ATOM 1016 N PRO A 65 2.652 -11.845 3.822 1.00 0.00 N ATOM 1017 CA PRO A 65 4.025 -11.752 3.318 1.00 0.00 C ATOM 1018 C PRO A 65 4.095 -11.869 1.800 1.00 0.00 C ATOM 1019 O PRO A 65 5.081 -11.468 1.182 1.00 0.00 O ATOM 1020 CB PRO A 65 4.726 -12.942 3.979 1.00 0.00 C ATOM 1021 CG PRO A 65 3.948 -13.196 5.224 1.00 0.00 C ATOM 1022 CD PRO A 65 2.534 -12.786 4.949 1.00 0.00 C ATOM 0 HA PRO A 65 4.480 -10.789 3.549 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.724 -13.815 3.326 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.768 -12.713 4.203 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.997 -14.249 5.501 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.359 -12.627 6.058 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.912 -13.643 4.691 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.079 -12.313 5.819 1.00 0.00 H new ATOM 1030 N GLU A 66 3.043 -12.421 1.204 1.00 0.00 N ATOM 1031 CA GLU A 66 2.986 -12.590 -0.243 1.00 0.00 C ATOM 1032 C GLU A 66 2.453 -11.330 -0.918 1.00 0.00 C ATOM 1033 O GLU A 66 2.797 -11.032 -2.062 1.00 0.00 O ATOM 1034 CB GLU A 66 2.105 -13.788 -0.605 1.00 0.00 C ATOM 1035 CG GLU A 66 0.644 -13.602 -0.233 1.00 0.00 C ATOM 1036 CD GLU A 66 -0.090 -14.920 -0.074 1.00 0.00 C ATOM 1037 OE1 GLU A 66 -0.631 -15.422 -1.082 1.00 0.00 O ATOM 1038 OE2 GLU A 66 -0.122 -15.449 1.056 1.00 0.00 O ATOM 0 H GLU A 66 2.219 -12.759 1.701 1.00 0.00 H new ATOM 0 HA GLU A 66 3.999 -12.772 -0.602 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.178 -13.971 -1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.489 -14.676 -0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.579 -13.039 0.698 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.151 -13.006 -1.001 1.00 0.00 H new ATOM 1045 N TYR A 67 1.610 -10.594 -0.202 1.00 0.00 N ATOM 1046 CA TYR A 67 1.026 -9.368 -0.732 1.00 0.00 C ATOM 1047 C TYR A 67 1.914 -8.165 -0.426 1.00 0.00 C ATOM 1048 O TYR A 67 1.436 -7.036 -0.320 1.00 0.00 O ATOM 1049 CB TYR A 67 -0.369 -9.147 -0.144 1.00 0.00 C ATOM 1050 CG TYR A 67 -1.423 -10.060 -0.728 1.00 0.00 C ATOM 1051 CD1 TYR A 67 -2.011 -9.780 -1.956 1.00 0.00 C ATOM 1052 CD2 TYR A 67 -1.830 -11.205 -0.053 1.00 0.00 C ATOM 1053 CE1 TYR A 67 -2.975 -10.611 -2.492 1.00 0.00 C ATOM 1054 CE2 TYR A 67 -2.793 -12.042 -0.583 1.00 0.00 C ATOM 1055 CZ TYR A 67 -3.362 -11.741 -1.803 1.00 0.00 C ATOM 1056 OH TYR A 67 -4.321 -12.573 -2.335 1.00 0.00 O ATOM 0 H TYR A 67 1.316 -10.825 0.747 1.00 0.00 H new ATOM 0 HA TYR A 67 0.945 -9.473 -1.814 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.327 -9.297 0.935 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.665 -8.111 -0.311 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.709 -8.897 -2.500 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.386 -11.444 0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.424 -10.377 -3.446 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.099 -12.927 -0.045 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.820 -12.095 -3.030 1.00 0.00 H new ATOM 1066 N LYS A 68 3.212 -8.417 -0.287 1.00 0.00 N ATOM 1067 CA LYS A 68 4.170 -7.357 0.004 1.00 0.00 C ATOM 1068 C LYS A 68 4.592 -6.639 -1.275 1.00 0.00 C ATOM 1069 O LYS A 68 5.042 -5.494 -1.236 1.00 0.00 O ATOM 1070 CB LYS A 68 5.400 -7.933 0.708 1.00 0.00 C ATOM 1071 CG LYS A 68 5.101 -8.509 2.081 1.00 0.00 C ATOM 1072 CD LYS A 68 4.187 -7.597 2.881 1.00 0.00 C ATOM 1073 CE LYS A 68 4.204 -7.950 4.361 1.00 0.00 C ATOM 1074 NZ LYS A 68 3.567 -6.890 5.191 1.00 0.00 N ATOM 0 H LYS A 68 3.624 -9.346 -0.371 1.00 0.00 H new ATOM 0 HA LYS A 68 3.687 -6.635 0.662 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.834 -8.713 0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.151 -7.150 0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.635 -9.488 1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.034 -8.659 2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.499 -6.561 2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.169 -7.674 2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.682 -8.895 4.515 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.233 -8.097 4.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.352 -7.270 6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.217 -6.083 5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.686 -6.575 4.736 1.00 0.00 H new ATOM 1088 N VAL A 69 4.442 -7.319 -2.407 1.00 0.00 N ATOM 1089 CA VAL A 69 4.805 -6.745 -3.697 1.00 0.00 C ATOM 1090 C VAL A 69 3.690 -5.857 -4.237 1.00 0.00 C ATOM 1091 O VAL A 69 3.914 -4.720 -4.653 1.00 0.00 O ATOM 1092 CB VAL A 69 5.119 -7.843 -4.731 1.00 0.00 C ATOM 1093 CG1 VAL A 69 4.706 -7.397 -6.125 1.00 0.00 C ATOM 1094 CG2 VAL A 69 6.596 -8.203 -4.694 1.00 0.00 C ATOM 0 H VAL A 69 4.072 -8.268 -2.457 1.00 0.00 H new ATOM 0 HA VAL A 69 5.699 -6.142 -3.535 1.00 0.00 H new ATOM 0 HB VAL A 69 4.545 -8.734 -4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.935 -8.185 -6.842 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.635 -7.194 -6.140 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.251 -6.492 -6.394 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.800 -8.980 -5.431 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.192 -7.320 -4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.857 -8.568 -3.701 1.00 0.00 H new ATOM 1104 N PRO A 70 2.457 -6.386 -4.231 1.00 0.00 N ATOM 1105 CA PRO A 70 1.281 -5.658 -4.716 1.00 0.00 C ATOM 1106 C PRO A 70 1.201 -4.244 -4.152 1.00 0.00 C ATOM 1107 O PRO A 70 1.090 -3.272 -4.898 1.00 0.00 O ATOM 1108 CB PRO A 70 0.108 -6.503 -4.212 1.00 0.00 C ATOM 1109 CG PRO A 70 0.662 -7.879 -4.078 1.00 0.00 C ATOM 1110 CD PRO A 70 2.117 -7.736 -3.750 1.00 0.00 C ATOM 0 HA PRO A 70 1.298 -5.531 -5.798 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.266 -6.132 -3.258 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.727 -6.479 -4.912 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.142 -8.429 -3.294 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.529 -8.440 -5.003 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.297 -7.836 -2.680 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.716 -8.500 -4.247 1.00 0.00 H new ATOM 1118 N GLY A 71 1.258 -4.136 -2.828 1.00 0.00 N ATOM 1119 CA GLY A 71 1.190 -2.836 -2.186 1.00 0.00 C ATOM 1120 C GLY A 71 2.081 -1.811 -2.858 1.00 0.00 C ATOM 1121 O GLY A 71 1.618 -0.742 -3.259 1.00 0.00 O ATOM 0 H GLY A 71 1.350 -4.925 -2.189 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.159 -2.481 -2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.480 -2.935 -1.140 1.00 0.00 H new ATOM 1125 N LEU A 72 3.364 -2.134 -2.981 1.00 0.00 N ATOM 1126 CA LEU A 72 4.323 -1.232 -3.609 1.00 0.00 C ATOM 1127 C LEU A 72 3.795 -0.717 -4.944 1.00 0.00 C ATOM 1128 O LEU A 72 3.947 0.460 -5.271 1.00 0.00 O ATOM 1129 CB LEU A 72 5.661 -1.944 -3.818 1.00 0.00 C ATOM 1130 CG LEU A 72 6.880 -1.040 -4.005 1.00 0.00 C ATOM 1131 CD1 LEU A 72 6.632 -0.034 -5.119 1.00 0.00 C ATOM 1132 CD2 LEU A 72 7.220 -0.326 -2.705 1.00 0.00 C ATOM 0 H LEU A 72 3.764 -3.014 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 72 4.470 -0.380 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.843 -2.592 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.574 -2.589 -4.693 1.00 0.00 H new ATOM 0 HG LEU A 72 7.730 -1.662 -4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.510 0.601 -5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.438 -0.564 -6.052 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.770 0.583 -4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.090 0.313 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.372 0.284 -2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.441 -1.062 -1.933 1.00 0.00 H new ATOM 1144 N TYR A 73 3.171 -1.606 -5.709 1.00 0.00 N ATOM 1145 CA TYR A 73 2.619 -1.242 -7.009 1.00 0.00 C ATOM 1146 C TYR A 73 1.503 -0.212 -6.858 1.00 0.00 C ATOM 1147 O TYR A 73 1.452 0.777 -7.589 1.00 0.00 O ATOM 1148 CB TYR A 73 2.088 -2.483 -7.727 1.00 0.00 C ATOM 1149 CG TYR A 73 3.177 -3.420 -8.201 1.00 0.00 C ATOM 1150 CD1 TYR A 73 4.514 -3.157 -7.929 1.00 0.00 C ATOM 1151 CD2 TYR A 73 2.868 -4.568 -8.921 1.00 0.00 C ATOM 1152 CE1 TYR A 73 5.511 -4.009 -8.361 1.00 0.00 C ATOM 1153 CE2 TYR A 73 3.859 -5.426 -9.355 1.00 0.00 C ATOM 1154 CZ TYR A 73 5.179 -5.143 -9.073 1.00 0.00 C ATOM 1155 OH TYR A 73 6.169 -5.995 -9.505 1.00 0.00 O ATOM 0 H TYR A 73 3.035 -2.584 -5.452 1.00 0.00 H new ATOM 0 HA TYR A 73 3.419 -0.801 -7.604 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.422 -3.024 -7.055 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.491 -2.170 -8.584 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.778 -2.271 -7.370 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.836 -4.793 -9.145 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.545 -3.789 -8.143 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.602 -6.314 -9.913 1.00 0.00 H new ATOM 0 HH TYR A 73 5.766 -6.745 -9.990 1.00 0.00 H new ATOM 1165 N VAL A 74 0.610 -0.452 -5.903 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.504 0.453 -5.653 1.00 0.00 C ATOM 1167 C VAL A 74 -0.014 1.878 -5.420 1.00 0.00 C ATOM 1168 O VAL A 74 -0.699 2.844 -5.757 1.00 0.00 O ATOM 1169 CB VAL A 74 -1.333 0.002 -4.435 1.00 0.00 C ATOM 1170 CG1 VAL A 74 -2.323 1.084 -4.032 1.00 0.00 C ATOM 1171 CG2 VAL A 74 -2.050 -1.305 -4.735 1.00 0.00 C ATOM 0 H VAL A 74 0.637 -1.267 -5.290 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.135 0.429 -6.542 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.656 -0.166 -3.597 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.899 0.747 -3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.782 1.994 -3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.998 1.287 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.631 -1.609 -3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.717 -1.167 -5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.317 -2.077 -4.970 1.00 0.00 H new ATOM 1181 N ILE A 75 1.177 2.001 -4.843 1.00 0.00 N ATOM 1182 CA ILE A 75 1.760 3.307 -4.567 1.00 0.00 C ATOM 1183 C ILE A 75 2.253 3.971 -5.848 1.00 0.00 C ATOM 1184 O ILE A 75 2.114 5.182 -6.026 1.00 0.00 O ATOM 1185 CB ILE A 75 2.933 3.202 -3.574 1.00 0.00 C ATOM 1186 CG1 ILE A 75 2.443 2.658 -2.230 1.00 0.00 C ATOM 1187 CG2 ILE A 75 3.596 4.559 -3.392 1.00 0.00 C ATOM 1188 CD1 ILE A 75 3.561 2.187 -1.326 1.00 0.00 C ATOM 0 H ILE A 75 1.756 1.212 -4.558 1.00 0.00 H new ATOM 0 HA ILE A 75 0.972 3.916 -4.124 1.00 0.00 H new ATOM 0 HB ILE A 75 3.672 2.510 -3.978 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.875 3.435 -1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.759 1.829 -2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.423 4.468 -2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.974 4.911 -4.352 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.867 5.271 -3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.141 1.815 -0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.115 1.388 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.233 3.019 -1.115 1.00 0.00 H new ATOM 1200 N ASP A 76 2.828 3.171 -6.739 1.00 0.00 N ATOM 1201 CA ASP A 76 3.339 3.680 -8.007 1.00 0.00 C ATOM 1202 C ASP A 76 2.194 4.036 -8.951 1.00 0.00 C ATOM 1203 O ASP A 76 2.131 5.148 -9.475 1.00 0.00 O ATOM 1204 CB ASP A 76 4.256 2.647 -8.663 1.00 0.00 C ATOM 1205 CG ASP A 76 3.512 1.739 -9.623 1.00 0.00 C ATOM 1206 OD1 ASP A 76 3.037 2.238 -10.665 1.00 0.00 O ATOM 1207 OD2 ASP A 76 3.404 0.530 -9.332 1.00 0.00 O ATOM 0 H ASP A 76 2.952 2.167 -6.607 1.00 0.00 H new ATOM 0 HA ASP A 76 3.912 4.585 -7.803 1.00 0.00 H new ATOM 0 HB2 ASP A 76 5.054 3.162 -9.199 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.730 2.043 -7.889 1.00 0.00 H new ATOM 1212 N SER A 77 1.292 3.083 -9.164 1.00 0.00 N ATOM 1213 CA SER A 77 0.153 3.294 -10.049 1.00 0.00 C ATOM 1214 C SER A 77 -0.592 4.573 -9.680 1.00 0.00 C ATOM 1215 O SER A 77 -1.147 5.253 -10.544 1.00 0.00 O ATOM 1216 CB SER A 77 -0.800 2.098 -9.982 1.00 0.00 C ATOM 1217 OG SER A 77 -1.508 1.943 -11.199 1.00 0.00 O ATOM 0 H SER A 77 1.328 2.158 -8.736 1.00 0.00 H new ATOM 0 HA SER A 77 0.529 3.394 -11.067 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.236 1.191 -9.768 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.505 2.236 -9.162 1.00 0.00 H new ATOM 0 HG SER A 77 -2.439 2.221 -11.073 1.00 0.00 H new ATOM 1223 N ILE A 78 -0.600 4.895 -8.391 1.00 0.00 N ATOM 1224 CA ILE A 78 -1.276 6.092 -7.906 1.00 0.00 C ATOM 1225 C ILE A 78 -0.412 7.332 -8.113 1.00 0.00 C ATOM 1226 O ILE A 78 -0.766 8.228 -8.880 1.00 0.00 O ATOM 1227 CB ILE A 78 -1.633 5.972 -6.413 1.00 0.00 C ATOM 1228 CG1 ILE A 78 -2.818 5.022 -6.224 1.00 0.00 C ATOM 1229 CG2 ILE A 78 -1.948 7.343 -5.832 1.00 0.00 C ATOM 1230 CD1 ILE A 78 -2.892 4.417 -4.840 1.00 0.00 C ATOM 0 H ILE A 78 -0.146 4.343 -7.663 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.195 6.191 -8.483 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.775 5.562 -5.881 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.743 5.563 -6.425 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.751 4.220 -6.959 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.199 7.242 -4.776 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.078 7.992 -5.938 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.793 7.779 -6.365 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.756 3.755 -4.778 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.984 3.848 -4.643 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.990 5.212 -4.100 1.00 0.00 H new ATOM 1242 N VAL A 79 0.724 7.376 -7.425 1.00 0.00 N ATOM 1243 CA VAL A 79 1.641 8.504 -7.535 1.00 0.00 C ATOM 1244 C VAL A 79 1.853 8.900 -8.992 1.00 0.00 C ATOM 1245 O VAL A 79 1.752 10.075 -9.348 1.00 0.00 O ATOM 1246 CB VAL A 79 3.006 8.183 -6.899 1.00 0.00 C ATOM 1247 CG1 VAL A 79 3.991 9.315 -7.146 1.00 0.00 C ATOM 1248 CG2 VAL A 79 2.849 7.918 -5.409 1.00 0.00 C ATOM 0 H VAL A 79 1.031 6.643 -6.785 1.00 0.00 H new ATOM 0 HA VAL A 79 1.185 9.335 -6.998 1.00 0.00 H new ATOM 0 HB VAL A 79 3.402 7.281 -7.367 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.950 9.069 -6.689 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.125 9.453 -8.219 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.605 10.235 -6.707 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.823 7.693 -4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.431 8.800 -4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.180 7.071 -5.259 1.00 0.00 H new ATOM 1258 N ARG A 80 2.147 7.913 -9.831 1.00 0.00 N ATOM 1259 CA ARG A 80 2.374 8.158 -11.251 1.00 0.00 C ATOM 1260 C ARG A 80 1.188 8.890 -11.872 1.00 0.00 C ATOM 1261 O ARG A 80 1.365 9.819 -12.659 1.00 0.00 O ATOM 1262 CB ARG A 80 2.615 6.838 -11.986 1.00 0.00 C ATOM 1263 CG ARG A 80 3.999 6.255 -11.753 1.00 0.00 C ATOM 1264 CD ARG A 80 4.258 5.058 -12.655 1.00 0.00 C ATOM 1265 NE ARG A 80 3.173 4.082 -12.593 1.00 0.00 N ATOM 1266 CZ ARG A 80 2.920 3.202 -13.556 1.00 0.00 C ATOM 1267 NH1 ARG A 80 3.670 3.177 -14.649 1.00 0.00 N ATOM 1268 NH2 ARG A 80 1.915 2.346 -13.426 1.00 0.00 N ATOM 0 H ARG A 80 2.234 6.936 -9.553 1.00 0.00 H new ATOM 0 HA ARG A 80 3.259 8.787 -11.349 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.866 6.113 -11.668 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.472 6.996 -13.055 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.753 7.020 -11.937 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.098 5.954 -10.710 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.381 5.399 -13.683 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.193 4.580 -12.363 1.00 0.00 H new ATOM 0 HE ARG A 80 2.577 4.076 -11.765 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.443 3.834 -14.752 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.474 2.501 -15.387 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.336 2.363 -12.586 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.721 1.671 -14.166 1.00 0.00 H new ATOM 1282 N GLN A 81 -0.018 8.463 -11.513 1.00 0.00 N ATOM 1283 CA GLN A 81 -1.232 9.078 -12.037 1.00 0.00 C ATOM 1284 C GLN A 81 -1.385 10.506 -11.524 1.00 0.00 C ATOM 1285 O GLN A 81 -1.301 11.464 -12.292 1.00 0.00 O ATOM 1286 CB GLN A 81 -2.458 8.250 -11.646 1.00 0.00 C ATOM 1287 CG GLN A 81 -2.820 7.182 -12.666 1.00 0.00 C ATOM 1288 CD GLN A 81 -2.847 7.715 -14.085 1.00 0.00 C ATOM 1289 OE1 GLN A 81 -3.351 8.933 -14.251 1.00 0.00 O flip ATOM 1290 NE2 GLN A 81 -2.420 7.040 -15.022 1.00 0.00 N flip ATOM 0 H GLN A 81 -0.181 7.695 -10.862 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.153 9.108 -13.124 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.273 7.774 -10.683 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.310 8.917 -11.513 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.101 6.366 -12.602 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.797 6.766 -12.420 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.041 6.109 -14.849 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.445 7.412 -15.971 1.00 0.00 H new ATOM 1299 N SER A 82 -1.609 10.641 -10.221 1.00 0.00 N ATOM 1300 CA SER A 82 -1.778 11.952 -9.605 1.00 0.00 C ATOM 1301 C SER A 82 -0.705 12.922 -10.092 1.00 0.00 C ATOM 1302 O SER A 82 -1.009 14.035 -10.523 1.00 0.00 O ATOM 1303 CB SER A 82 -1.722 11.834 -8.081 1.00 0.00 C ATOM 1304 OG SER A 82 -0.671 10.976 -7.674 1.00 0.00 O ATOM 0 H SER A 82 -1.678 9.858 -9.571 1.00 0.00 H new ATOM 0 HA SER A 82 -2.754 12.341 -9.896 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.580 12.821 -7.642 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.672 11.452 -7.708 1.00 0.00 H new ATOM 0 HG SER A 82 -0.041 11.474 -7.113 1.00 0.00 H new ATOM 1310 N ARG A 83 0.550 12.491 -10.019 1.00 0.00 N ATOM 1311 CA ARG A 83 1.668 13.321 -10.450 1.00 0.00 C ATOM 1312 C ARG A 83 1.465 13.805 -11.883 1.00 0.00 C ATOM 1313 O ARG A 83 1.948 14.873 -12.263 1.00 0.00 O ATOM 1314 CB ARG A 83 2.980 12.541 -10.345 1.00 0.00 C ATOM 1315 CG ARG A 83 4.169 13.264 -10.955 1.00 0.00 C ATOM 1316 CD ARG A 83 5.246 12.288 -11.401 1.00 0.00 C ATOM 1317 NE ARG A 83 6.393 12.971 -11.994 1.00 0.00 N ATOM 1318 CZ ARG A 83 7.381 13.502 -11.282 1.00 0.00 C ATOM 1319 NH1 ARG A 83 7.363 13.428 -9.958 1.00 0.00 N ATOM 1320 NH2 ARG A 83 8.390 14.107 -11.894 1.00 0.00 N ATOM 0 H ARG A 83 0.818 11.572 -9.666 1.00 0.00 H new ATOM 0 HA ARG A 83 1.716 14.190 -9.794 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.189 12.338 -9.295 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.860 11.577 -10.838 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.837 13.856 -11.808 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.586 13.960 -10.227 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.577 11.699 -10.546 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.825 11.590 -12.125 1.00 0.00 H new ATOM 0 HE ARG A 83 6.438 13.044 -13.010 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.589 12.962 -9.484 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.123 13.837 -9.414 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.408 14.165 -12.912 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.148 14.514 -11.347 1.00 0.00 H new ATOM 1334 N HIS A 84 0.748 13.013 -12.674 1.00 0.00 N ATOM 1335 CA HIS A 84 0.481 13.361 -14.065 1.00 0.00 C ATOM 1336 C HIS A 84 -0.856 14.084 -14.197 1.00 0.00 C ATOM 1337 O HIS A 84 -0.900 15.274 -14.505 1.00 0.00 O ATOM 1338 CB HIS A 84 0.484 12.105 -14.936 1.00 0.00 C ATOM 1339 CG HIS A 84 -0.038 12.335 -16.321 1.00 0.00 C ATOM 1340 ND1 HIS A 84 -1.291 12.594 -16.763 1.00 0.00 N flip ATOM 1341 CD2 HIS A 84 0.765 12.311 -17.442 1.00 0.00 C flip ATOM 1342 CE1 HIS A 84 -1.223 12.721 -18.129 1.00 0.00 C flip ATOM 1343 NE2 HIS A 84 0.029 12.547 -18.513 1.00 0.00 N flip ATOM 0 H HIS A 84 0.342 12.126 -12.376 1.00 0.00 H new ATOM 0 HA HIS A 84 1.271 14.031 -14.405 1.00 0.00 H new ATOM 0 HB2 HIS A 84 1.502 11.719 -15.000 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -0.119 11.336 -14.453 1.00 0.00 H new ATOM 0 HD2 HIS A 84 1.829 12.128 -17.444 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.057 12.929 -18.783 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.370 12.588 -19.474 1.00 0.00 H new ATOM 1351 N GLN A 85 -1.942 13.355 -13.964 1.00 0.00 N ATOM 1352 CA GLN A 85 -3.280 13.927 -14.059 1.00 0.00 C ATOM 1353 C GLN A 85 -3.302 15.353 -13.519 1.00 0.00 C ATOM 1354 O GLN A 85 -3.618 16.297 -14.244 1.00 0.00 O ATOM 1355 CB GLN A 85 -4.283 13.063 -13.291 1.00 0.00 C ATOM 1356 CG GLN A 85 -4.928 11.980 -14.139 1.00 0.00 C ATOM 1357 CD GLN A 85 -6.336 11.646 -13.688 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -6.462 10.635 -12.837 1.00 0.00 O flip ATOM 1359 NE2 GLN A 85 -7.301 12.291 -14.100 1.00 0.00 N flip ATOM 0 H GLN A 85 -1.922 12.368 -13.708 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.563 13.952 -15.111 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.776 12.597 -12.446 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -5.063 13.704 -12.881 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.951 12.304 -15.179 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.315 11.080 -14.099 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.158 13.061 -14.754 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.243 12.055 -13.787 1.00 0.00 H new ATOM 1449 N ASP A 91 0.893 16.801 -7.189 1.00 0.00 N ATOM 1450 CA ASP A 91 0.940 15.485 -6.562 1.00 0.00 C ATOM 1451 C ASP A 91 0.812 15.600 -5.047 1.00 0.00 C ATOM 1452 O ASP A 91 1.315 16.546 -4.441 1.00 0.00 O ATOM 1453 CB ASP A 91 2.243 14.770 -6.924 1.00 0.00 C ATOM 1454 CG ASP A 91 2.191 13.285 -6.626 1.00 0.00 C ATOM 1455 OD1 ASP A 91 1.271 12.859 -5.896 1.00 0.00 O ATOM 1456 OD2 ASP A 91 3.070 12.548 -7.121 1.00 0.00 O ATOM 0 HA ASP A 91 0.099 14.901 -6.936 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.453 14.918 -7.983 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.067 15.220 -6.370 1.00 0.00 H new ATOM 1461 N VAL A 92 0.135 14.630 -4.440 1.00 0.00 N ATOM 1462 CA VAL A 92 -0.059 14.623 -2.994 1.00 0.00 C ATOM 1463 C VAL A 92 0.423 13.313 -2.382 1.00 0.00 C ATOM 1464 O VAL A 92 0.831 13.270 -1.221 1.00 0.00 O ATOM 1465 CB VAL A 92 -1.540 14.834 -2.626 1.00 0.00 C ATOM 1466 CG1 VAL A 92 -2.023 16.191 -3.114 1.00 0.00 C ATOM 1467 CG2 VAL A 92 -2.396 13.716 -3.200 1.00 0.00 C ATOM 0 H VAL A 92 -0.288 13.839 -4.926 1.00 0.00 H new ATOM 0 HA VAL A 92 0.529 15.447 -2.591 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.634 14.811 -1.540 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.071 16.322 -2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.428 16.977 -2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.917 16.247 -4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.439 13.881 -2.930 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.299 13.705 -4.286 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.064 12.760 -2.796 1.00 0.00 H new ATOM 1477 N PHE A 93 0.375 12.244 -3.171 1.00 0.00 N ATOM 1478 CA PHE A 93 0.807 10.931 -2.707 1.00 0.00 C ATOM 1479 C PHE A 93 2.328 10.815 -2.742 1.00 0.00 C ATOM 1480 O PHE A 93 2.923 10.069 -1.965 1.00 0.00 O ATOM 1481 CB PHE A 93 0.180 9.831 -3.566 1.00 0.00 C ATOM 1482 CG PHE A 93 -1.319 9.899 -3.626 1.00 0.00 C ATOM 1483 CD1 PHE A 93 -1.952 10.689 -4.572 1.00 0.00 C ATOM 1484 CD2 PHE A 93 -2.095 9.172 -2.738 1.00 0.00 C ATOM 1485 CE1 PHE A 93 -3.331 10.754 -4.629 1.00 0.00 C ATOM 1486 CE2 PHE A 93 -3.475 9.233 -2.791 1.00 0.00 C ATOM 1487 CZ PHE A 93 -4.094 10.024 -3.738 1.00 0.00 C ATOM 0 H PHE A 93 0.041 12.262 -4.135 1.00 0.00 H new ATOM 0 HA PHE A 93 0.475 10.810 -1.676 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.580 9.899 -4.578 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.476 8.859 -3.171 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.361 11.260 -5.273 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.616 8.550 -1.996 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.812 11.375 -5.370 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -4.068 8.662 -2.092 1.00 0.00 H new ATOM 0 HZ PHE A 93 -5.172 10.072 -3.782 1.00 0.00 H new ATOM 1497 N ALA A 94 2.951 11.558 -3.651 1.00 0.00 N ATOM 1498 CA ALA A 94 4.403 11.540 -3.787 1.00 0.00 C ATOM 1499 C ALA A 94 5.078 12.103 -2.542 1.00 0.00 C ATOM 1500 O ALA A 94 5.856 11.426 -1.868 1.00 0.00 O ATOM 1501 CB ALA A 94 4.826 12.325 -5.020 1.00 0.00 C ATOM 0 H ALA A 94 2.474 12.180 -4.304 1.00 0.00 H new ATOM 0 HA ALA A 94 4.720 10.504 -3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.912 12.304 -5.110 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.380 11.877 -5.908 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.490 13.358 -4.927 1.00 0.00 H new ATOM 1507 N PRO A 95 4.778 13.372 -2.226 1.00 0.00 N ATOM 1508 CA PRO A 95 5.346 14.053 -1.060 1.00 0.00 C ATOM 1509 C PRO A 95 4.811 13.496 0.255 1.00 0.00 C ATOM 1510 O PRO A 95 5.456 13.610 1.297 1.00 0.00 O ATOM 1511 CB PRO A 95 4.901 15.506 -1.246 1.00 0.00 C ATOM 1512 CG PRO A 95 3.666 15.420 -2.075 1.00 0.00 C ATOM 1513 CD PRO A 95 3.859 14.238 -2.984 1.00 0.00 C ATOM 0 HA PRO A 95 6.427 13.928 -1.002 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.702 15.985 -0.287 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.671 16.096 -1.743 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.784 15.290 -1.448 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.517 16.334 -2.650 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.915 13.735 -3.195 1.00 0.00 H new ATOM 0 HD3 PRO A 95 4.284 14.534 -3.943 1.00 0.00 H new ATOM 1521 N ARG A 96 3.627 12.894 0.199 1.00 0.00 N ATOM 1522 CA ARG A 96 3.005 12.320 1.386 1.00 0.00 C ATOM 1523 C ARG A 96 3.606 10.955 1.709 1.00 0.00 C ATOM 1524 O ARG A 96 3.871 10.641 2.869 1.00 0.00 O ATOM 1525 CB ARG A 96 1.494 12.189 1.183 1.00 0.00 C ATOM 1526 CG ARG A 96 0.762 11.640 2.397 1.00 0.00 C ATOM 1527 CD ARG A 96 0.613 12.695 3.481 1.00 0.00 C ATOM 1528 NE ARG A 96 -0.148 12.200 4.625 1.00 0.00 N ATOM 1529 CZ ARG A 96 -0.064 12.721 5.845 1.00 0.00 C ATOM 1530 NH1 ARG A 96 0.742 13.747 6.077 1.00 0.00 N ATOM 1531 NH2 ARG A 96 -0.789 12.215 6.835 1.00 0.00 N ATOM 0 H ARG A 96 3.080 12.791 -0.656 1.00 0.00 H new ATOM 0 HA ARG A 96 3.196 12.989 2.225 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.083 13.167 0.933 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.306 11.537 0.330 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.223 11.282 2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 96 1.306 10.783 2.794 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.600 13.015 3.814 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.116 13.572 3.067 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.778 11.411 4.480 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.300 14.139 5.318 1.00 0.00 H new ATOM 0 HH12 ARG A 96 0.804 14.145 7.014 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -1.411 11.426 6.660 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.724 12.615 7.771 1.00 0.00 H new ATOM 1545 N PHE A 97 3.818 10.148 0.675 1.00 0.00 N ATOM 1546 CA PHE A 97 4.386 8.817 0.848 1.00 0.00 C ATOM 1547 C PHE A 97 5.817 8.900 1.373 1.00 0.00 C ATOM 1548 O PHE A 97 6.233 8.091 2.202 1.00 0.00 O ATOM 1549 CB PHE A 97 4.361 8.051 -0.477 1.00 0.00 C ATOM 1550 CG PHE A 97 3.056 7.356 -0.742 1.00 0.00 C ATOM 1551 CD1 PHE A 97 2.437 6.614 0.250 1.00 0.00 C ATOM 1552 CD2 PHE A 97 2.449 7.446 -1.984 1.00 0.00 C ATOM 1553 CE1 PHE A 97 1.236 5.973 0.008 1.00 0.00 C ATOM 1554 CE2 PHE A 97 1.248 6.807 -2.232 1.00 0.00 C ATOM 1555 CZ PHE A 97 0.641 6.071 -1.234 1.00 0.00 C ATOM 0 H PHE A 97 3.605 10.393 -0.292 1.00 0.00 H new ATOM 0 HA PHE A 97 3.779 8.283 1.579 1.00 0.00 H new ATOM 0 HB2 PHE A 97 4.567 8.744 -1.292 1.00 0.00 H new ATOM 0 HB3 PHE A 97 5.163 7.313 -0.476 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.898 6.535 1.224 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.919 8.022 -2.767 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.764 5.396 0.790 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.786 6.884 -3.205 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.298 5.573 -1.425 1.00 0.00 H new ATOM 1565 N SER A 98 6.565 9.883 0.882 1.00 0.00 N ATOM 1566 CA SER A 98 7.950 10.070 1.297 1.00 0.00 C ATOM 1567 C SER A 98 8.046 10.235 2.811 1.00 0.00 C ATOM 1568 O SER A 98 9.061 9.898 3.419 1.00 0.00 O ATOM 1569 CB SER A 98 8.552 11.292 0.601 1.00 0.00 C ATOM 1570 OG SER A 98 7.841 12.472 0.935 1.00 0.00 O ATOM 0 H SER A 98 6.235 10.562 0.196 1.00 0.00 H new ATOM 0 HA SER A 98 8.513 9.182 1.009 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.598 11.400 0.889 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.533 11.145 -0.479 1.00 0.00 H new ATOM 0 HG SER A 98 6.923 12.240 1.189 1.00 0.00 H new ATOM 1576 N ASN A 99 6.981 10.755 3.412 1.00 0.00 N ATOM 1577 CA ASN A 99 6.944 10.965 4.855 1.00 0.00 C ATOM 1578 C ASN A 99 7.403 9.714 5.598 1.00 0.00 C ATOM 1579 O ASN A 99 8.439 9.719 6.262 1.00 0.00 O ATOM 1580 CB ASN A 99 5.531 11.347 5.300 1.00 0.00 C ATOM 1581 CG ASN A 99 5.056 12.641 4.667 1.00 0.00 C ATOM 1582 OD1 ASN A 99 5.839 13.374 4.064 1.00 0.00 O ATOM 1583 ND2 ASN A 99 3.766 12.927 4.804 1.00 0.00 N ATOM 0 H ASN A 99 6.132 11.039 2.923 1.00 0.00 H new ATOM 0 HA ASN A 99 7.626 11.780 5.096 1.00 0.00 H new ATOM 0 HB2 ASN A 99 4.841 10.544 5.040 1.00 0.00 H new ATOM 0 HB3 ASN A 99 5.509 11.447 6.385 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.388 13.784 4.401 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.153 12.289 5.313 1.00 0.00 H new ATOM 1590 N ASN A 100 6.624 8.644 5.481 1.00 0.00 N ATOM 1591 CA ASN A 100 6.950 7.385 6.142 1.00 0.00 C ATOM 1592 C ASN A 100 7.284 6.304 5.119 1.00 0.00 C ATOM 1593 O ASN A 100 7.279 5.114 5.435 1.00 0.00 O ATOM 1594 CB ASN A 100 5.783 6.929 7.020 1.00 0.00 C ATOM 1595 CG ASN A 100 5.079 8.091 7.696 1.00 0.00 C ATOM 1596 OD1 ASN A 100 4.068 8.590 7.202 1.00 0.00 O ATOM 1597 ND2 ASN A 100 5.612 8.526 8.831 1.00 0.00 N ATOM 0 H ASN A 100 5.763 8.623 4.935 1.00 0.00 H new ATOM 0 HA ASN A 100 7.826 7.549 6.770 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.066 6.379 6.410 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.151 6.239 7.779 1.00 0.00 H new ATOM 0 HD21 ASN A 100 5.182 9.304 9.331 1.00 0.00 H new ATOM 0 HD22 ASN A 100 6.451 8.082 9.204 1.00 0.00 H new ATOM 1604 N ILE A 101 7.573 6.727 3.893 1.00 0.00 N ATOM 1605 CA ILE A 101 7.911 5.795 2.825 1.00 0.00 C ATOM 1606 C ILE A 101 8.749 4.635 3.351 1.00 0.00 C ATOM 1607 O ILE A 101 8.537 3.482 2.975 1.00 0.00 O ATOM 1608 CB ILE A 101 8.681 6.496 1.690 1.00 0.00 C ATOM 1609 CG1 ILE A 101 9.021 5.496 0.582 1.00 0.00 C ATOM 1610 CG2 ILE A 101 9.946 7.146 2.230 1.00 0.00 C ATOM 1611 CD1 ILE A 101 7.959 5.398 -0.490 1.00 0.00 C ATOM 0 H ILE A 101 7.580 7.708 3.615 1.00 0.00 H new ATOM 0 HA ILE A 101 6.970 5.411 2.432 1.00 0.00 H new ATOM 0 HB ILE A 101 8.047 7.276 1.269 1.00 0.00 H new ATOM 0 HG12 ILE A 101 9.966 5.784 0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.170 4.512 1.025 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.479 7.637 1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 101 9.681 7.884 2.987 1.00 0.00 H new ATOM 0 HG23 ILE A 101 10.586 6.383 2.674 1.00 0.00 H new ATOM 0 HD11 ILE A 101 8.267 4.671 -1.242 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.018 5.080 -0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 101 7.826 6.372 -0.960 1.00 0.00 H new ATOM 1623 N ILE A 102 9.700 4.948 4.225 1.00 0.00 N ATOM 1624 CA ILE A 102 10.567 3.931 4.806 1.00 0.00 C ATOM 1625 C ILE A 102 9.754 2.862 5.529 1.00 0.00 C ATOM 1626 O ILE A 102 9.815 1.682 5.183 1.00 0.00 O ATOM 1627 CB ILE A 102 11.575 4.548 5.793 1.00 0.00 C ATOM 1628 CG1 ILE A 102 12.398 5.637 5.102 1.00 0.00 C ATOM 1629 CG2 ILE A 102 12.486 3.470 6.363 1.00 0.00 C ATOM 1630 CD1 ILE A 102 13.304 5.110 4.011 1.00 0.00 C ATOM 0 H ILE A 102 9.889 5.898 4.546 1.00 0.00 H new ATOM 0 HA ILE A 102 11.112 3.473 3.981 1.00 0.00 H new ATOM 0 HB ILE A 102 11.023 5.003 6.616 1.00 0.00 H new ATOM 0 HG12 ILE A 102 11.721 6.377 4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.003 6.152 5.848 1.00 0.00 H new ATOM 0 HG21 ILE A 102 13.193 3.922 7.059 1.00 0.00 H new ATOM 0 HG22 ILE A 102 11.886 2.726 6.887 1.00 0.00 H new ATOM 0 HG23 ILE A 102 13.032 2.989 5.552 1.00 0.00 H new ATOM 0 HD11 ILE A 102 13.856 5.937 3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.006 4.392 4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 102 12.704 4.620 3.244 1.00 0.00 H new ATOM 1642 N SER A 103 8.992 3.284 6.532 1.00 0.00 N ATOM 1643 CA SER A 103 8.167 2.363 7.306 1.00 0.00 C ATOM 1644 C SER A 103 7.245 1.561 6.392 1.00 0.00 C ATOM 1645 O SER A 103 6.871 0.430 6.704 1.00 0.00 O ATOM 1646 CB SER A 103 7.340 3.130 8.338 1.00 0.00 C ATOM 1647 OG SER A 103 7.020 2.308 9.448 1.00 0.00 O ATOM 0 H SER A 103 8.928 4.258 6.828 1.00 0.00 H new ATOM 0 HA SER A 103 8.829 1.669 7.825 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.896 4.004 8.677 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.423 3.495 7.875 1.00 0.00 H new ATOM 0 HG SER A 103 6.492 2.822 10.094 1.00 0.00 H new ATOM 1653 N THR A 104 6.881 2.156 5.260 1.00 0.00 N ATOM 1654 CA THR A 104 6.002 1.500 4.300 1.00 0.00 C ATOM 1655 C THR A 104 6.731 0.384 3.560 1.00 0.00 C ATOM 1656 O THR A 104 6.206 -0.719 3.408 1.00 0.00 O ATOM 1657 CB THR A 104 5.445 2.503 3.272 1.00 0.00 C ATOM 1658 OG1 THR A 104 4.532 3.402 3.911 1.00 0.00 O ATOM 1659 CG2 THR A 104 4.739 1.777 2.136 1.00 0.00 C ATOM 0 H THR A 104 7.182 3.091 4.986 1.00 0.00 H new ATOM 0 HA THR A 104 5.174 1.075 4.868 1.00 0.00 H new ATOM 0 HB THR A 104 6.280 3.068 2.858 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.592 4.284 3.488 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.354 2.505 1.422 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.444 1.115 1.634 1.00 0.00 H new ATOM 0 HG23 THR A 104 3.913 1.190 2.537 1.00 0.00 H new ATOM 1667 N PHE A 105 7.944 0.677 3.104 1.00 0.00 N ATOM 1668 CA PHE A 105 8.745 -0.303 2.379 1.00 0.00 C ATOM 1669 C PHE A 105 9.170 -1.445 3.298 1.00 0.00 C ATOM 1670 O PHE A 105 9.224 -2.602 2.883 1.00 0.00 O ATOM 1671 CB PHE A 105 9.981 0.365 1.773 1.00 0.00 C ATOM 1672 CG PHE A 105 9.756 0.895 0.386 1.00 0.00 C ATOM 1673 CD1 PHE A 105 8.685 1.731 0.114 1.00 0.00 C ATOM 1674 CD2 PHE A 105 10.615 0.556 -0.647 1.00 0.00 C ATOM 1675 CE1 PHE A 105 8.475 2.221 -1.161 1.00 0.00 C ATOM 1676 CE2 PHE A 105 10.411 1.043 -1.925 1.00 0.00 C ATOM 1677 CZ PHE A 105 9.339 1.875 -2.182 1.00 0.00 C ATOM 0 H PHE A 105 8.394 1.585 3.223 1.00 0.00 H new ATOM 0 HA PHE A 105 8.132 -0.714 1.577 1.00 0.00 H new ATOM 0 HB2 PHE A 105 10.295 1.184 2.420 1.00 0.00 H new ATOM 0 HB3 PHE A 105 10.799 -0.355 1.750 1.00 0.00 H new ATOM 0 HD1 PHE A 105 8.006 2.003 0.908 1.00 0.00 H new ATOM 0 HD2 PHE A 105 11.453 -0.096 -0.452 1.00 0.00 H new ATOM 0 HE1 PHE A 105 7.637 2.873 -1.359 1.00 0.00 H new ATOM 0 HE2 PHE A 105 11.089 0.773 -2.721 1.00 0.00 H new ATOM 0 HZ PHE A 105 9.176 2.255 -3.180 1.00 0.00 H new ATOM 1687 N GLN A 106 9.471 -1.109 4.549 1.00 0.00 N ATOM 1688 CA GLN A 106 9.892 -2.106 5.526 1.00 0.00 C ATOM 1689 C GLN A 106 8.922 -3.281 5.558 1.00 0.00 C ATOM 1690 O GLN A 106 9.335 -4.440 5.555 1.00 0.00 O ATOM 1691 CB GLN A 106 9.994 -1.476 6.916 1.00 0.00 C ATOM 1692 CG GLN A 106 11.116 -0.457 7.042 1.00 0.00 C ATOM 1693 CD GLN A 106 12.486 -1.103 7.111 1.00 0.00 C ATOM 1694 OE1 GLN A 106 12.605 -2.314 7.295 1.00 0.00 O ATOM 1695 NE2 GLN A 106 13.529 -0.295 6.964 1.00 0.00 N ATOM 0 H GLN A 106 9.431 -0.155 4.909 1.00 0.00 H new ATOM 0 HA GLN A 106 10.873 -2.477 5.229 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.047 -0.993 7.157 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.146 -2.265 7.653 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.082 0.223 6.191 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.957 0.144 7.937 1.00 0.00 H new ATOM 0 HE21 GLN A 106 13.384 0.703 6.813 1.00 0.00 H new ATOM 0 HE22 GLN A 106 14.476 -0.672 7.002 1.00 0.00 H new ATOM 1704 N ASN A 107 7.629 -2.975 5.588 1.00 0.00 N ATOM 1705 CA ASN A 107 6.599 -4.007 5.621 1.00 0.00 C ATOM 1706 C ASN A 107 6.548 -4.767 4.299 1.00 0.00 C ATOM 1707 O ASN A 107 6.003 -5.869 4.225 1.00 0.00 O ATOM 1708 CB ASN A 107 5.233 -3.384 5.917 1.00 0.00 C ATOM 1709 CG ASN A 107 5.257 -2.494 7.145 1.00 0.00 C ATOM 1710 OD1 ASN A 107 6.259 -2.427 7.857 1.00 0.00 O ATOM 1711 ND2 ASN A 107 4.150 -1.805 7.398 1.00 0.00 N ATOM 0 H ASN A 107 7.269 -2.020 5.590 1.00 0.00 H new ATOM 0 HA ASN A 107 6.850 -4.711 6.415 1.00 0.00 H new ATOM 0 HB2 ASN A 107 4.908 -2.801 5.055 1.00 0.00 H new ATOM 0 HB3 ASN A 107 4.499 -4.177 6.060 1.00 0.00 H new ATOM 0 HD21 ASN A 107 4.107 -1.189 8.210 1.00 0.00 H new ATOM 0 HD22 ASN A 107 3.343 -1.892 6.780 1.00 0.00 H new ATOM 1718 N LEU A 108 7.120 -4.172 3.258 1.00 0.00 N ATOM 1719 CA LEU A 108 7.141 -4.792 1.938 1.00 0.00 C ATOM 1720 C LEU A 108 8.415 -5.607 1.740 1.00 0.00 C ATOM 1721 O LEU A 108 8.422 -6.600 1.011 1.00 0.00 O ATOM 1722 CB LEU A 108 7.030 -3.724 0.849 1.00 0.00 C ATOM 1723 CG LEU A 108 5.833 -2.779 0.955 1.00 0.00 C ATOM 1724 CD1 LEU A 108 6.046 -1.548 0.088 1.00 0.00 C ATOM 1725 CD2 LEU A 108 4.550 -3.496 0.559 1.00 0.00 C ATOM 0 H LEU A 108 7.576 -3.261 3.303 1.00 0.00 H new ATOM 0 HA LEU A 108 6.286 -5.465 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 108 7.941 -3.126 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.988 -4.224 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 108 5.741 -2.457 1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.184 -0.887 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.942 -1.022 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.165 -1.852 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 108 3.709 -2.808 0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 108 4.632 -3.848 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 108 4.389 -4.346 1.222 1.00 0.00 H new ATOM 1737 N TYR A 109 9.490 -5.183 2.394 1.00 0.00 N ATOM 1738 CA TYR A 109 10.770 -5.873 2.290 1.00 0.00 C ATOM 1739 C TYR A 109 10.800 -7.104 3.190 1.00 0.00 C ATOM 1740 O TYR A 109 11.831 -7.764 3.324 1.00 0.00 O ATOM 1741 CB TYR A 109 11.914 -4.928 2.661 1.00 0.00 C ATOM 1742 CG TYR A 109 12.259 -3.938 1.571 1.00 0.00 C ATOM 1743 CD1 TYR A 109 12.404 -4.348 0.252 1.00 0.00 C ATOM 1744 CD2 TYR A 109 12.439 -2.591 1.862 1.00 0.00 C ATOM 1745 CE1 TYR A 109 12.720 -3.447 -0.746 1.00 0.00 C ATOM 1746 CE2 TYR A 109 12.753 -1.682 0.870 1.00 0.00 C ATOM 1747 CZ TYR A 109 12.893 -2.115 -0.432 1.00 0.00 C ATOM 1748 OH TYR A 109 13.207 -1.214 -1.424 1.00 0.00 O ATOM 0 H TYR A 109 9.501 -4.364 3.002 1.00 0.00 H new ATOM 0 HA TYR A 109 10.896 -6.198 1.257 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.644 -4.381 3.565 1.00 0.00 H new ATOM 0 HB3 TYR A 109 12.799 -5.518 2.898 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.267 -5.390 0.002 1.00 0.00 H new ATOM 0 HD2 TYR A 109 12.332 -2.249 2.881 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.831 -3.783 -1.766 1.00 0.00 H new ATOM 0 HE2 TYR A 109 12.888 -0.638 1.113 1.00 0.00 H new ATOM 0 HH TYR A 109 13.737 -0.482 -1.045 1.00 0.00 H new ATOM 1758 N ARG A 110 9.661 -7.408 3.804 1.00 0.00 N ATOM 1759 CA ARG A 110 9.556 -8.559 4.692 1.00 0.00 C ATOM 1760 C ARG A 110 9.406 -9.851 3.893 1.00 0.00 C ATOM 1761 O ARG A 110 9.640 -10.943 4.410 1.00 0.00 O ATOM 1762 CB ARG A 110 8.367 -8.392 5.640 1.00 0.00 C ATOM 1763 CG ARG A 110 8.255 -6.999 6.237 1.00 0.00 C ATOM 1764 CD ARG A 110 7.620 -7.034 7.618 1.00 0.00 C ATOM 1765 NE ARG A 110 8.329 -7.934 8.524 1.00 0.00 N ATOM 1766 CZ ARG A 110 8.051 -8.042 9.818 1.00 0.00 C ATOM 1767 NH1 ARG A 110 7.084 -7.312 10.356 1.00 0.00 N ATOM 1768 NH2 ARG A 110 8.741 -8.884 10.578 1.00 0.00 N ATOM 0 H ARG A 110 8.798 -6.873 3.703 1.00 0.00 H new ATOM 0 HA ARG A 110 10.473 -8.619 5.278 1.00 0.00 H new ATOM 0 HB2 ARG A 110 7.448 -8.622 5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 110 8.453 -9.119 6.448 1.00 0.00 H new ATOM 0 HG2 ARG A 110 9.246 -6.549 6.302 1.00 0.00 H new ATOM 0 HG3 ARG A 110 7.661 -6.366 5.578 1.00 0.00 H new ATOM 0 HD2 ARG A 110 7.612 -6.029 8.039 1.00 0.00 H new ATOM 0 HD3 ARG A 110 6.581 -7.352 7.531 1.00 0.00 H new ATOM 0 HE ARG A 110 9.078 -8.511 8.142 1.00 0.00 H new ATOM 0 HH11 ARG A 110 6.551 -6.665 9.776 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.873 -7.398 11.350 1.00 0.00 H new ATOM 0 HH21 ARG A 110 9.485 -9.448 10.168 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.527 -8.966 11.572 1.00 0.00 H new ATOM 1782 N CYS A 111 9.013 -9.717 2.631 1.00 0.00 N ATOM 1783 CA CYS A 111 8.830 -10.872 1.761 1.00 0.00 C ATOM 1784 C CYS A 111 9.992 -11.850 1.903 1.00 0.00 C ATOM 1785 O CYS A 111 11.091 -11.489 2.323 1.00 0.00 O ATOM 1786 CB CYS A 111 8.700 -10.425 0.304 1.00 0.00 C ATOM 1787 SG CYS A 111 10.211 -9.709 -0.385 1.00 0.00 S ATOM 0 H CYS A 111 8.815 -8.820 2.188 1.00 0.00 H new ATOM 0 HA CYS A 111 7.913 -11.379 2.061 1.00 0.00 H new ATOM 0 HB2 CYS A 111 8.407 -11.282 -0.303 1.00 0.00 H new ATOM 0 HB3 CYS A 111 7.897 -9.692 0.230 1.00 0.00 H new ATOM 0 HG CYS A 111 10.889 -9.131 0.562 1.00 0.00 H new ATOM 1793 N PRO A 112 9.744 -13.120 1.548 1.00 0.00 N ATOM 1794 CA PRO A 112 10.757 -14.176 1.629 1.00 0.00 C ATOM 1795 C PRO A 112 12.086 -13.754 1.012 1.00 0.00 C ATOM 1796 O PRO A 112 13.149 -14.203 1.438 1.00 0.00 O ATOM 1797 CB PRO A 112 10.136 -15.325 0.829 1.00 0.00 C ATOM 1798 CG PRO A 112 8.667 -15.100 0.921 1.00 0.00 C ATOM 1799 CD PRO A 112 8.456 -13.621 1.040 1.00 0.00 C ATOM 0 HA PRO A 112 10.993 -14.436 2.661 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.474 -15.314 -0.207 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.415 -16.293 1.245 1.00 0.00 H new ATOM 0 HG2 PRO A 112 8.161 -15.492 0.039 1.00 0.00 H new ATOM 0 HG3 PRO A 112 8.251 -15.619 1.784 1.00 0.00 H new ATOM 0 HD2 PRO A 112 8.205 -13.174 0.078 1.00 0.00 H new ATOM 0 HD3 PRO A 112 7.639 -13.387 1.723 1.00 0.00 H new ATOM 1807 N GLY A 113 12.017 -12.887 0.006 1.00 0.00 N ATOM 1808 CA GLY A 113 13.222 -12.419 -0.653 1.00 0.00 C ATOM 1809 C GLY A 113 13.128 -12.505 -2.163 1.00 0.00 C ATOM 1810 O GLY A 113 13.575 -11.603 -2.872 1.00 0.00 O ATOM 0 H GLY A 113 11.148 -12.501 -0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 113 13.413 -11.386 -0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 113 14.072 -13.009 -0.311 1.00 0.00 H new ATOM 1814 N ASP A 114 12.547 -13.592 -2.657 1.00 0.00 N ATOM 1815 CA ASP A 114 12.395 -13.793 -4.094 1.00 0.00 C ATOM 1816 C ASP A 114 11.411 -12.788 -4.682 1.00 0.00 C ATOM 1817 O ASP A 114 11.177 -12.768 -5.891 1.00 0.00 O ATOM 1818 CB ASP A 114 11.923 -15.219 -4.384 1.00 0.00 C ATOM 1819 CG ASP A 114 11.863 -15.518 -5.869 1.00 0.00 C ATOM 1820 OD1 ASP A 114 12.937 -15.690 -6.483 1.00 0.00 O ATOM 1821 OD2 ASP A 114 10.743 -15.578 -6.418 1.00 0.00 O ATOM 0 H ASP A 114 12.173 -14.348 -2.084 1.00 0.00 H new ATOM 0 HA ASP A 114 13.367 -13.638 -4.563 1.00 0.00 H new ATOM 0 HB2 ASP A 114 12.596 -15.927 -3.901 1.00 0.00 H new ATOM 0 HB3 ASP A 114 10.936 -15.368 -3.946 1.00 0.00 H new ATOM 1826 N ASP A 115 10.837 -11.956 -3.820 1.00 0.00 N ATOM 1827 CA ASP A 115 9.877 -10.947 -4.255 1.00 0.00 C ATOM 1828 C ASP A 115 10.509 -9.559 -4.254 1.00 0.00 C ATOM 1829 O ASP A 115 10.144 -8.698 -5.054 1.00 0.00 O ATOM 1830 CB ASP A 115 8.645 -10.961 -3.348 1.00 0.00 C ATOM 1831 CG ASP A 115 7.569 -11.905 -3.847 1.00 0.00 C ATOM 1832 OD1 ASP A 115 7.368 -11.978 -5.078 1.00 0.00 O ATOM 1833 OD2 ASP A 115 6.929 -12.571 -3.008 1.00 0.00 O ATOM 0 H ASP A 115 11.019 -11.960 -2.816 1.00 0.00 H new ATOM 0 HA ASP A 115 9.572 -11.186 -5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 115 8.942 -11.254 -2.341 1.00 0.00 H new ATOM 0 HB3 ASP A 115 8.236 -9.953 -3.280 1.00 0.00 H new ATOM 1838 N LYS A 116 11.460 -9.348 -3.349 1.00 0.00 N ATOM 1839 CA LYS A 116 12.144 -8.065 -3.243 1.00 0.00 C ATOM 1840 C LYS A 116 12.379 -7.458 -4.622 1.00 0.00 C ATOM 1841 O LYS A 116 12.262 -6.246 -4.806 1.00 0.00 O ATOM 1842 CB LYS A 116 13.479 -8.235 -2.514 1.00 0.00 C ATOM 1843 CG LYS A 116 13.381 -8.037 -1.011 1.00 0.00 C ATOM 1844 CD LYS A 116 14.657 -8.468 -0.308 1.00 0.00 C ATOM 1845 CE LYS A 116 14.505 -8.417 1.205 1.00 0.00 C ATOM 1846 NZ LYS A 116 15.415 -9.377 1.887 1.00 0.00 N ATOM 0 H LYS A 116 11.774 -10.050 -2.679 1.00 0.00 H new ATOM 0 HA LYS A 116 11.508 -7.388 -2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 116 13.869 -9.233 -2.716 1.00 0.00 H new ATOM 0 HB3 LYS A 116 14.198 -7.523 -2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 116 13.181 -6.988 -0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 116 12.539 -8.609 -0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.918 -9.481 -0.614 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.479 -7.821 -0.614 1.00 0.00 H new ATOM 0 HE2 LYS A 116 14.713 -7.407 1.557 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.473 -8.642 1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 15.281 -9.311 2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 15.200 -10.344 1.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 16.402 -9.147 1.651 1.00 0.00 H new ATOM 1860 N SER A 117 12.710 -8.308 -5.589 1.00 0.00 N ATOM 1861 CA SER A 117 12.964 -7.854 -6.952 1.00 0.00 C ATOM 1862 C SER A 117 11.834 -6.955 -7.444 1.00 0.00 C ATOM 1863 O SER A 117 12.075 -5.891 -8.015 1.00 0.00 O ATOM 1864 CB SER A 117 13.123 -9.052 -7.889 1.00 0.00 C ATOM 1865 OG SER A 117 13.202 -8.635 -9.241 1.00 0.00 O ATOM 0 H SER A 117 12.809 -9.314 -5.454 1.00 0.00 H new ATOM 0 HA SER A 117 13.889 -7.278 -6.951 1.00 0.00 H new ATOM 0 HB2 SER A 117 14.022 -9.608 -7.624 1.00 0.00 H new ATOM 0 HB3 SER A 117 12.279 -9.731 -7.763 1.00 0.00 H new ATOM 0 HG SER A 117 13.305 -9.419 -9.820 1.00 0.00 H new ATOM 1871 N LYS A 118 10.599 -7.390 -7.218 1.00 0.00 N ATOM 1872 CA LYS A 118 9.430 -6.626 -7.637 1.00 0.00 C ATOM 1873 C LYS A 118 9.347 -5.302 -6.883 1.00 0.00 C ATOM 1874 O LYS A 118 8.637 -4.385 -7.297 1.00 0.00 O ATOM 1875 CB LYS A 118 8.154 -7.438 -7.405 1.00 0.00 C ATOM 1876 CG LYS A 118 7.894 -8.482 -8.478 1.00 0.00 C ATOM 1877 CD LYS A 118 8.530 -9.816 -8.124 1.00 0.00 C ATOM 1878 CE LYS A 118 8.120 -10.905 -9.103 1.00 0.00 C ATOM 1879 NZ LYS A 118 9.110 -12.017 -9.142 1.00 0.00 N ATOM 0 H LYS A 118 10.382 -8.268 -6.747 1.00 0.00 H new ATOM 0 HA LYS A 118 9.529 -6.413 -8.701 1.00 0.00 H new ATOM 0 HB2 LYS A 118 8.220 -7.933 -6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 118 7.304 -6.758 -7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.820 -8.613 -8.607 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.289 -8.131 -9.431 1.00 0.00 H new ATOM 0 HD2 LYS A 118 9.615 -9.715 -8.124 1.00 0.00 H new ATOM 0 HD3 LYS A 118 8.237 -10.104 -7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 118 7.143 -11.298 -8.821 1.00 0.00 H new ATOM 0 HE3 LYS A 118 8.015 -10.477 -10.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 8.795 -12.739 -9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 10.036 -11.647 -9.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 9.191 -12.443 -8.197 1.00 0.00 H new ATOM 1893 N ILE A 119 10.075 -5.211 -5.775 1.00 0.00 N ATOM 1894 CA ILE A 119 10.085 -3.998 -4.966 1.00 0.00 C ATOM 1895 C ILE A 119 11.209 -3.061 -5.393 1.00 0.00 C ATOM 1896 O ILE A 119 11.023 -1.847 -5.473 1.00 0.00 O ATOM 1897 CB ILE A 119 10.243 -4.322 -3.469 1.00 0.00 C ATOM 1898 CG1 ILE A 119 9.188 -5.340 -3.030 1.00 0.00 C ATOM 1899 CG2 ILE A 119 10.138 -3.052 -2.638 1.00 0.00 C ATOM 1900 CD1 ILE A 119 9.380 -5.839 -1.616 1.00 0.00 C ATOM 0 H ILE A 119 10.665 -5.962 -5.417 1.00 0.00 H new ATOM 0 HA ILE A 119 9.126 -3.505 -5.124 1.00 0.00 H new ATOM 0 HB ILE A 119 11.229 -4.757 -3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 119 8.200 -4.887 -3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 119 9.209 -6.190 -3.712 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.252 -3.298 -1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 119 10.923 -2.357 -2.935 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.164 -2.590 -2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.596 -6.557 -1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 119 10.353 -6.322 -1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.329 -4.999 -0.924 1.00 0.00 H new ATOM 1912 N VAL A 120 12.377 -3.633 -5.669 1.00 0.00 N ATOM 1913 CA VAL A 120 13.531 -2.849 -6.091 1.00 0.00 C ATOM 1914 C VAL A 120 13.363 -2.351 -7.522 1.00 0.00 C ATOM 1915 O VAL A 120 13.968 -1.355 -7.919 1.00 0.00 O ATOM 1916 CB VAL A 120 14.832 -3.668 -5.994 1.00 0.00 C ATOM 1917 CG1 VAL A 120 14.909 -4.390 -4.657 1.00 0.00 C ATOM 1918 CG2 VAL A 120 14.928 -4.654 -7.148 1.00 0.00 C ATOM 0 H VAL A 120 12.549 -4.637 -5.608 1.00 0.00 H new ATOM 0 HA VAL A 120 13.597 -1.995 -5.417 1.00 0.00 H new ATOM 0 HB VAL A 120 15.678 -2.984 -6.060 1.00 0.00 H new ATOM 0 HG11 VAL A 120 15.834 -4.964 -4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 120 14.889 -3.660 -3.848 1.00 0.00 H new ATOM 0 HG13 VAL A 120 14.058 -5.064 -4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 120 15.853 -5.224 -7.064 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.078 -5.335 -7.116 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.922 -4.110 -8.093 1.00 0.00 H new ATOM 1928 N ARG A 121 12.537 -3.051 -8.293 1.00 0.00 N ATOM 1929 CA ARG A 121 12.290 -2.680 -9.682 1.00 0.00 C ATOM 1930 C ARG A 121 11.496 -1.380 -9.764 1.00 0.00 C ATOM 1931 O ARG A 121 11.629 -0.619 -10.723 1.00 0.00 O ATOM 1932 CB ARG A 121 11.535 -3.798 -10.403 1.00 0.00 C ATOM 1933 CG ARG A 121 10.060 -3.867 -10.043 1.00 0.00 C ATOM 1934 CD ARG A 121 9.227 -4.385 -11.205 1.00 0.00 C ATOM 1935 NE ARG A 121 8.727 -3.301 -12.047 1.00 0.00 N ATOM 1936 CZ ARG A 121 7.721 -3.439 -12.903 1.00 0.00 C ATOM 1937 NH1 ARG A 121 7.110 -4.608 -13.030 1.00 0.00 N ATOM 1938 NH2 ARG A 121 7.324 -2.405 -13.634 1.00 0.00 N ATOM 0 H ARG A 121 12.028 -3.877 -7.980 1.00 0.00 H new ATOM 0 HA ARG A 121 13.253 -2.528 -10.169 1.00 0.00 H new ATOM 0 HB2 ARG A 121 11.631 -3.655 -11.479 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.003 -4.753 -10.165 1.00 0.00 H new ATOM 0 HG2 ARG A 121 9.925 -4.517 -9.179 1.00 0.00 H new ATOM 0 HG3 ARG A 121 9.708 -2.877 -9.754 1.00 0.00 H new ATOM 0 HD2 ARG A 121 9.829 -5.064 -11.808 1.00 0.00 H new ATOM 0 HD3 ARG A 121 8.386 -4.962 -10.819 1.00 0.00 H new ATOM 0 HE ARG A 121 9.175 -2.388 -11.973 1.00 0.00 H new ATOM 0 HH11 ARG A 121 7.412 -5.405 -12.469 1.00 0.00 H new ATOM 0 HH12 ARG A 121 6.338 -4.711 -13.688 1.00 0.00 H new ATOM 0 HH21 ARG A 121 7.792 -1.504 -13.539 1.00 0.00 H new ATOM 0 HH22 ARG A 121 6.551 -2.512 -14.291 1.00 0.00 H new ATOM 1952 N VAL A 122 10.671 -1.131 -8.752 1.00 0.00 N ATOM 1953 CA VAL A 122 9.856 0.077 -8.710 1.00 0.00 C ATOM 1954 C VAL A 122 10.712 1.308 -8.435 1.00 0.00 C ATOM 1955 O VAL A 122 10.574 2.335 -9.100 1.00 0.00 O ATOM 1956 CB VAL A 122 8.759 -0.023 -7.633 1.00 0.00 C ATOM 1957 CG1 VAL A 122 7.754 1.108 -7.787 1.00 0.00 C ATOM 1958 CG2 VAL A 122 8.067 -1.376 -7.702 1.00 0.00 C ATOM 0 H VAL A 122 10.549 -1.750 -7.950 1.00 0.00 H new ATOM 0 HA VAL A 122 9.386 0.176 -9.689 1.00 0.00 H new ATOM 0 HB VAL A 122 9.227 0.071 -6.653 1.00 0.00 H new ATOM 0 HG11 VAL A 122 6.987 1.020 -7.018 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.265 2.065 -7.683 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.289 1.050 -8.771 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.295 -1.429 -6.934 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.611 -1.502 -8.684 1.00 0.00 H new ATOM 0 HG23 VAL A 122 8.798 -2.167 -7.537 1.00 0.00 H new ATOM 1968 N LEU A 123 11.597 1.198 -7.450 1.00 0.00 N ATOM 1969 CA LEU A 123 12.478 2.302 -7.087 1.00 0.00 C ATOM 1970 C LEU A 123 13.266 2.792 -8.297 1.00 0.00 C ATOM 1971 O LEU A 123 13.316 3.990 -8.574 1.00 0.00 O ATOM 1972 CB LEU A 123 13.440 1.870 -5.979 1.00 0.00 C ATOM 1973 CG LEU A 123 12.797 1.450 -4.657 1.00 0.00 C ATOM 1974 CD1 LEU A 123 13.857 0.983 -3.672 1.00 0.00 C ATOM 1975 CD2 LEU A 123 11.989 2.598 -4.069 1.00 0.00 C ATOM 0 H LEU A 123 11.723 0.356 -6.889 1.00 0.00 H new ATOM 0 HA LEU A 123 11.859 3.122 -6.724 1.00 0.00 H new ATOM 0 HB2 LEU A 123 14.038 1.038 -6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 123 14.127 2.693 -5.781 1.00 0.00 H new ATOM 0 HG LEU A 123 12.121 0.618 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 123 13.380 0.688 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 123 14.393 0.131 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 123 14.559 1.795 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 123 11.538 2.281 -3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 123 12.645 3.450 -3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 123 11.204 2.886 -4.768 1.00 0.00 H new ATOM 1987 N ASN A 124 13.878 1.857 -9.017 1.00 0.00 N ATOM 1988 CA ASN A 124 14.662 2.194 -10.199 1.00 0.00 C ATOM 1989 C ASN A 124 13.833 3.008 -11.188 1.00 0.00 C ATOM 1990 O ASN A 124 14.349 3.900 -11.862 1.00 0.00 O ATOM 1991 CB ASN A 124 15.177 0.921 -10.875 1.00 0.00 C ATOM 1992 CG ASN A 124 16.476 0.429 -10.267 1.00 0.00 C ATOM 1993 OD1 ASN A 124 17.561 0.843 -10.677 1.00 0.00 O ATOM 1994 ND2 ASN A 124 16.372 -0.458 -9.285 1.00 0.00 N ATOM 0 H ASN A 124 13.846 0.860 -8.802 1.00 0.00 H new ATOM 0 HA ASN A 124 15.512 2.798 -9.881 1.00 0.00 H new ATOM 0 HB2 ASN A 124 14.422 0.139 -10.794 1.00 0.00 H new ATOM 0 HB3 ASN A 124 15.326 1.112 -11.938 1.00 0.00 H new ATOM 0 HD21 ASN A 124 17.212 -0.825 -8.838 1.00 0.00 H new ATOM 0 HD22 ASN A 124 15.452 -0.773 -8.978 1.00 0.00 H new ATOM 2001 N LEU A 125 12.544 2.694 -11.270 1.00 0.00 N ATOM 2002 CA LEU A 125 11.642 3.397 -12.176 1.00 0.00 C ATOM 2003 C LEU A 125 11.279 4.772 -11.625 1.00 0.00 C ATOM 2004 O LEU A 125 11.156 5.740 -12.375 1.00 0.00 O ATOM 2005 CB LEU A 125 10.373 2.574 -12.402 1.00 0.00 C ATOM 2006 CG LEU A 125 10.505 1.385 -13.354 1.00 0.00 C ATOM 2007 CD1 LEU A 125 9.441 0.340 -13.054 1.00 0.00 C ATOM 2008 CD2 LEU A 125 10.408 1.847 -14.801 1.00 0.00 C ATOM 0 H LEU A 125 12.101 1.958 -10.721 1.00 0.00 H new ATOM 0 HA LEU A 125 12.155 3.532 -13.128 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.027 2.204 -11.437 1.00 0.00 H new ATOM 0 HB3 LEU A 125 9.598 3.237 -12.786 1.00 0.00 H new ATOM 0 HG LEU A 125 11.484 0.931 -13.203 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.551 -0.499 -13.742 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.557 -0.013 -12.029 1.00 0.00 H new ATOM 0 HD13 LEU A 125 8.452 0.782 -13.176 1.00 0.00 H new ATOM 0 HD21 LEU A 125 10.504 0.988 -15.465 1.00 0.00 H new ATOM 0 HD22 LEU A 125 9.443 2.327 -14.966 1.00 0.00 H new ATOM 0 HD23 LEU A 125 11.207 2.558 -15.010 1.00 0.00 H new ATOM 2020 N TRP A 126 11.110 4.850 -10.310 1.00 0.00 N ATOM 2021 CA TRP A 126 10.763 6.108 -9.658 1.00 0.00 C ATOM 2022 C TRP A 126 11.862 7.146 -9.858 1.00 0.00 C ATOM 2023 O TRP A 126 11.597 8.266 -10.293 1.00 0.00 O ATOM 2024 CB TRP A 126 10.523 5.883 -8.164 1.00 0.00 C ATOM 2025 CG TRP A 126 9.153 5.360 -7.855 1.00 0.00 C ATOM 2026 CD1 TRP A 126 8.114 5.215 -8.730 1.00 0.00 C ATOM 2027 CD2 TRP A 126 8.673 4.916 -6.581 1.00 0.00 C ATOM 2028 NE1 TRP A 126 7.017 4.707 -8.077 1.00 0.00 N ATOM 2029 CE2 TRP A 126 7.334 4.514 -6.758 1.00 0.00 C ATOM 2030 CE3 TRP A 126 9.243 4.816 -5.310 1.00 0.00 C ATOM 2031 CZ2 TRP A 126 6.560 4.022 -5.710 1.00 0.00 C ATOM 2032 CZ3 TRP A 126 8.474 4.328 -4.271 1.00 0.00 C ATOM 2033 CH2 TRP A 126 7.145 3.935 -4.476 1.00 0.00 C ATOM 0 H TRP A 126 11.207 4.058 -9.675 1.00 0.00 H new ATOM 0 HA TRP A 126 9.847 6.484 -10.113 1.00 0.00 H new ATOM 0 HB2 TRP A 126 11.266 5.181 -7.786 1.00 0.00 H new ATOM 0 HB3 TRP A 126 10.673 6.823 -7.633 1.00 0.00 H new ATOM 0 HD1 TRP A 126 8.150 5.463 -9.780 1.00 0.00 H new ATOM 0 HE1 TRP A 126 6.113 4.506 -8.505 1.00 0.00 H new ATOM 0 HE3 TRP A 126 10.267 5.115 -5.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 5.535 3.720 -5.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 8.905 4.248 -3.284 1.00 0.00 H new ATOM 0 HH2 TRP A 126 6.571 3.556 -3.644 1.00 0.00 H new ATOM 2044 N GLN A 127 13.095 6.766 -9.538 1.00 0.00 N ATOM 2045 CA GLN A 127 14.233 7.666 -9.682 1.00 0.00 C ATOM 2046 C GLN A 127 14.371 8.141 -11.125 1.00 0.00 C ATOM 2047 O GLN A 127 14.898 9.223 -11.386 1.00 0.00 O ATOM 2048 CB GLN A 127 15.520 6.970 -9.237 1.00 0.00 C ATOM 2049 CG GLN A 127 16.551 7.918 -8.645 1.00 0.00 C ATOM 2050 CD GLN A 127 17.920 7.282 -8.512 1.00 0.00 C ATOM 2051 OE1 GLN A 127 18.565 6.954 -9.508 1.00 0.00 O ATOM 2052 NE2 GLN A 127 18.372 7.103 -7.276 1.00 0.00 N ATOM 0 H GLN A 127 13.331 5.841 -9.178 1.00 0.00 H new ATOM 0 HA GLN A 127 14.060 8.535 -9.047 1.00 0.00 H new ATOM 0 HB2 GLN A 127 15.274 6.207 -8.499 1.00 0.00 H new ATOM 0 HB3 GLN A 127 15.960 6.456 -10.092 1.00 0.00 H new ATOM 0 HG2 GLN A 127 16.626 8.805 -9.274 1.00 0.00 H new ATOM 0 HG3 GLN A 127 16.212 8.250 -7.664 1.00 0.00 H new ATOM 0 HE21 GLN A 127 17.804 7.390 -6.479 1.00 0.00 H new ATOM 0 HE22 GLN A 127 19.287 6.679 -7.124 1.00 0.00 H new ATOM 2061 N LYS A 128 13.893 7.326 -12.059 1.00 0.00 N ATOM 2062 CA LYS A 128 13.962 7.663 -13.476 1.00 0.00 C ATOM 2063 C LYS A 128 12.837 8.617 -13.865 1.00 0.00 C ATOM 2064 O LYS A 128 13.080 9.677 -14.439 1.00 0.00 O ATOM 2065 CB LYS A 128 13.885 6.393 -14.327 1.00 0.00 C ATOM 2066 CG LYS A 128 13.332 6.628 -15.722 1.00 0.00 C ATOM 2067 CD LYS A 128 13.344 5.354 -16.549 1.00 0.00 C ATOM 2068 CE LYS A 128 12.941 5.621 -17.992 1.00 0.00 C ATOM 2069 NZ LYS A 128 13.890 6.546 -18.670 1.00 0.00 N ATOM 0 H LYS A 128 13.454 6.427 -11.860 1.00 0.00 H new ATOM 0 HA LYS A 128 14.915 8.160 -13.659 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.882 5.960 -14.409 1.00 0.00 H new ATOM 0 HB3 LYS A 128 13.260 5.661 -13.816 1.00 0.00 H new ATOM 0 HG2 LYS A 128 12.312 7.007 -15.651 1.00 0.00 H new ATOM 0 HG3 LYS A 128 13.923 7.394 -16.224 1.00 0.00 H new ATOM 0 HD2 LYS A 128 14.340 4.913 -16.524 1.00 0.00 H new ATOM 0 HD3 LYS A 128 12.662 4.627 -16.108 1.00 0.00 H new ATOM 0 HE2 LYS A 128 12.900 4.679 -18.538 1.00 0.00 H new ATOM 0 HE3 LYS A 128 11.938 6.047 -18.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 13.773 6.469 -19.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 13.695 7.523 -18.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 14.865 6.293 -18.412 1.00 0.00 H new ATOM 2083 N ASN A 129 11.605 8.233 -13.545 1.00 0.00 N ATOM 2084 CA ASN A 129 10.443 9.055 -13.860 1.00 0.00 C ATOM 2085 C ASN A 129 10.428 10.323 -13.012 1.00 0.00 C ATOM 2086 O ASN A 129 9.542 11.165 -13.152 1.00 0.00 O ATOM 2087 CB ASN A 129 9.154 8.262 -13.633 1.00 0.00 C ATOM 2088 CG ASN A 129 8.817 7.360 -14.804 1.00 0.00 C ATOM 2089 OD1 ASN A 129 8.077 7.748 -15.708 1.00 0.00 O ATOM 2090 ND2 ASN A 129 9.359 6.148 -14.793 1.00 0.00 N ATOM 0 H ASN A 129 11.386 7.358 -13.068 1.00 0.00 H new ATOM 0 HA ASN A 129 10.506 9.341 -14.910 1.00 0.00 H new ATOM 0 HB2 ASN A 129 9.256 7.659 -12.731 1.00 0.00 H new ATOM 0 HB3 ASN A 129 8.330 8.955 -13.462 1.00 0.00 H new ATOM 0 HD21 ASN A 129 9.168 5.497 -15.554 1.00 0.00 H new ATOM 0 HD22 ASN A 129 9.967 5.868 -14.023 1.00 0.00 H new ATOM 2097 N ASN A 130 11.417 10.453 -12.133 1.00 0.00 N ATOM 2098 CA ASN A 130 11.518 11.618 -11.263 1.00 0.00 C ATOM 2099 C ASN A 130 10.371 11.647 -10.257 1.00 0.00 C ATOM 2100 O ASN A 130 9.978 12.711 -9.778 1.00 0.00 O ATOM 2101 CB ASN A 130 11.515 12.903 -12.094 1.00 0.00 C ATOM 2102 CG ASN A 130 12.554 12.880 -13.198 1.00 0.00 C ATOM 2103 OD1 ASN A 130 13.705 12.503 -12.975 1.00 0.00 O ATOM 2104 ND2 ASN A 130 12.152 13.284 -14.397 1.00 0.00 N ATOM 0 H ASN A 130 12.160 9.765 -12.005 1.00 0.00 H new ATOM 0 HA ASN A 130 12.457 11.550 -10.714 1.00 0.00 H new ATOM 0 HB2 ASN A 130 10.527 13.047 -12.532 1.00 0.00 H new ATOM 0 HB3 ASN A 130 11.702 13.755 -11.441 1.00 0.00 H new ATOM 0 HD21 ASN A 130 12.807 13.290 -15.179 1.00 0.00 H new ATOM 0 HD22 ASN A 130 11.188 13.588 -14.536 1.00 0.00 H new ATOM 2111 N VAL A 131 9.839 10.471 -9.941 1.00 0.00 N ATOM 2112 CA VAL A 131 8.738 10.361 -8.991 1.00 0.00 C ATOM 2113 C VAL A 131 9.188 10.735 -7.583 1.00 0.00 C ATOM 2114 O VAL A 131 8.460 11.397 -6.842 1.00 0.00 O ATOM 2115 CB VAL A 131 8.156 8.935 -8.969 1.00 0.00 C ATOM 2116 CG1 VAL A 131 6.838 8.907 -8.210 1.00 0.00 C ATOM 2117 CG2 VAL A 131 7.975 8.413 -10.386 1.00 0.00 C ATOM 0 H VAL A 131 10.152 9.581 -10.329 1.00 0.00 H new ATOM 0 HA VAL A 131 7.966 11.056 -9.320 1.00 0.00 H new ATOM 0 HB VAL A 131 8.859 8.282 -8.452 1.00 0.00 H new ATOM 0 HG11 VAL A 131 6.442 7.891 -8.205 1.00 0.00 H new ATOM 0 HG12 VAL A 131 7.002 9.237 -7.184 1.00 0.00 H new ATOM 0 HG13 VAL A 131 6.124 9.572 -8.696 1.00 0.00 H new ATOM 0 HG21 VAL A 131 7.563 7.404 -10.352 1.00 0.00 H new ATOM 0 HG22 VAL A 131 7.292 9.066 -10.930 1.00 0.00 H new ATOM 0 HG23 VAL A 131 8.940 8.394 -10.893 1.00 0.00 H new ATOM 2127 N PHE A 132 10.393 10.309 -7.219 1.00 0.00 N ATOM 2128 CA PHE A 132 10.940 10.599 -5.899 1.00 0.00 C ATOM 2129 C PHE A 132 12.405 11.015 -5.998 1.00 0.00 C ATOM 2130 O PHE A 132 13.133 10.562 -6.882 1.00 0.00 O ATOM 2131 CB PHE A 132 10.805 9.377 -4.988 1.00 0.00 C ATOM 2132 CG PHE A 132 9.381 9.017 -4.676 1.00 0.00 C ATOM 2133 CD1 PHE A 132 8.631 8.266 -5.567 1.00 0.00 C ATOM 2134 CD2 PHE A 132 8.792 9.428 -3.491 1.00 0.00 C ATOM 2135 CE1 PHE A 132 7.320 7.934 -5.283 1.00 0.00 C ATOM 2136 CE2 PHE A 132 7.481 9.099 -3.201 1.00 0.00 C ATOM 2137 CZ PHE A 132 6.745 8.349 -4.098 1.00 0.00 C ATOM 0 H PHE A 132 11.009 9.762 -7.820 1.00 0.00 H new ATOM 0 HA PHE A 132 10.373 11.426 -5.471 1.00 0.00 H new ATOM 0 HB2 PHE A 132 11.291 8.525 -5.462 1.00 0.00 H new ATOM 0 HB3 PHE A 132 11.336 9.569 -4.055 1.00 0.00 H new ATOM 0 HD1 PHE A 132 9.076 7.936 -6.494 1.00 0.00 H new ATOM 0 HD2 PHE A 132 9.364 10.012 -2.786 1.00 0.00 H new ATOM 0 HE1 PHE A 132 6.746 7.350 -5.987 1.00 0.00 H new ATOM 0 HE2 PHE A 132 7.033 9.428 -2.275 1.00 0.00 H new ATOM 0 HZ PHE A 132 5.722 8.088 -3.873 1.00 0.00 H new ATOM 2147 N LYS A 133 12.831 11.880 -5.083 1.00 0.00 N ATOM 2148 CA LYS A 133 14.209 12.358 -5.065 1.00 0.00 C ATOM 2149 C LYS A 133 15.169 11.234 -4.688 1.00 0.00 C ATOM 2150 O LYS A 133 14.802 10.307 -3.966 1.00 0.00 O ATOM 2151 CB LYS A 133 14.354 13.519 -4.078 1.00 0.00 C ATOM 2152 CG LYS A 133 14.492 13.075 -2.632 1.00 0.00 C ATOM 2153 CD LYS A 133 14.414 14.254 -1.677 1.00 0.00 C ATOM 2154 CE LYS A 133 15.323 15.391 -2.120 1.00 0.00 C ATOM 2155 NZ LYS A 133 15.698 16.276 -0.983 1.00 0.00 N ATOM 0 H LYS A 133 12.242 12.264 -4.344 1.00 0.00 H new ATOM 0 HA LYS A 133 14.460 12.707 -6.067 1.00 0.00 H new ATOM 0 HB2 LYS A 133 15.227 14.111 -4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 133 13.485 14.172 -4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 133 13.705 12.360 -2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 133 15.443 12.559 -2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 133 13.385 14.610 -1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 133 14.695 13.931 -0.675 1.00 0.00 H new ATOM 0 HE2 LYS A 133 16.225 14.979 -2.573 1.00 0.00 H new ATOM 0 HE3 LYS A 133 14.821 15.979 -2.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 16.317 17.038 -1.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 14.839 16.689 -0.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 16.200 15.720 -0.261 1.00 0.00 H new ATOM 2169 N SER A 134 16.400 11.324 -5.181 1.00 0.00 N ATOM 2170 CA SER A 134 17.413 10.314 -4.898 1.00 0.00 C ATOM 2171 C SER A 134 17.661 10.199 -3.397 1.00 0.00 C ATOM 2172 O SER A 134 18.026 9.135 -2.897 1.00 0.00 O ATOM 2173 CB SER A 134 18.719 10.654 -5.618 1.00 0.00 C ATOM 2174 OG SER A 134 19.323 11.808 -5.059 1.00 0.00 O ATOM 0 H SER A 134 16.720 12.086 -5.779 1.00 0.00 H new ATOM 0 HA SER A 134 17.045 9.355 -5.263 1.00 0.00 H new ATOM 0 HB2 SER A 134 19.406 9.811 -5.550 1.00 0.00 H new ATOM 0 HB3 SER A 134 18.522 10.820 -6.677 1.00 0.00 H new ATOM 0 HG SER A 134 20.157 12.004 -5.535 1.00 0.00 H new ATOM 2180 N GLU A 135 17.462 11.304 -2.685 1.00 0.00 N ATOM 2181 CA GLU A 135 17.665 11.328 -1.241 1.00 0.00 C ATOM 2182 C GLU A 135 16.592 10.510 -0.527 1.00 0.00 C ATOM 2183 O GLU A 135 16.730 10.181 0.652 1.00 0.00 O ATOM 2184 CB GLU A 135 17.652 12.768 -0.725 1.00 0.00 C ATOM 2185 CG GLU A 135 17.173 12.896 0.711 1.00 0.00 C ATOM 2186 CD GLU A 135 18.060 12.152 1.690 1.00 0.00 C ATOM 2187 OE1 GLU A 135 19.261 11.983 1.393 1.00 0.00 O ATOM 2188 OE2 GLU A 135 17.552 11.739 2.754 1.00 0.00 O ATOM 0 H GLU A 135 17.161 12.193 -3.084 1.00 0.00 H new ATOM 0 HA GLU A 135 18.637 10.883 -1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 135 18.658 13.182 -0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 135 17.010 13.370 -1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 135 17.139 13.950 0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 135 16.155 12.514 0.786 1.00 0.00 H new ATOM 2195 N ILE A 136 15.524 10.188 -1.248 1.00 0.00 N ATOM 2196 CA ILE A 136 14.429 9.409 -0.685 1.00 0.00 C ATOM 2197 C ILE A 136 14.506 7.951 -1.126 1.00 0.00 C ATOM 2198 O ILE A 136 14.257 7.039 -0.337 1.00 0.00 O ATOM 2199 CB ILE A 136 13.060 9.985 -1.093 1.00 0.00 C ATOM 2200 CG1 ILE A 136 12.771 11.271 -0.315 1.00 0.00 C ATOM 2201 CG2 ILE A 136 11.962 8.959 -0.858 1.00 0.00 C ATOM 2202 CD1 ILE A 136 11.768 12.176 -0.995 1.00 0.00 C ATOM 0 H ILE A 136 15.394 10.455 -2.224 1.00 0.00 H new ATOM 0 HA ILE A 136 14.529 9.464 0.399 1.00 0.00 H new ATOM 0 HB ILE A 136 13.085 10.224 -2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 136 12.400 11.011 0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 136 13.703 11.817 -0.173 1.00 0.00 H new ATOM 0 HG21 ILE A 136 11.001 9.381 -1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 136 12.163 8.068 -1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 136 11.934 8.692 0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 136 11.612 13.068 -0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 136 12.146 12.466 -1.975 1.00 0.00 H new ATOM 0 HD13 ILE A 136 10.822 11.647 -1.113 1.00 0.00 H new ATOM 2214 N ILE A 137 14.855 7.740 -2.390 1.00 0.00 N ATOM 2215 CA ILE A 137 14.969 6.393 -2.936 1.00 0.00 C ATOM 2216 C ILE A 137 16.312 5.766 -2.579 1.00 0.00 C ATOM 2217 O ILE A 137 16.399 4.566 -2.321 1.00 0.00 O ATOM 2218 CB ILE A 137 14.804 6.390 -4.467 1.00 0.00 C ATOM 2219 CG1 ILE A 137 13.492 7.071 -4.862 1.00 0.00 C ATOM 2220 CG2 ILE A 137 14.850 4.966 -5.002 1.00 0.00 C ATOM 2221 CD1 ILE A 137 13.032 6.730 -6.262 1.00 0.00 C ATOM 0 H ILE A 137 15.064 8.484 -3.056 1.00 0.00 H new ATOM 0 HA ILE A 137 14.167 5.804 -2.491 1.00 0.00 H new ATOM 0 HB ILE A 137 15.629 6.950 -4.908 1.00 0.00 H new ATOM 0 HG12 ILE A 137 12.715 6.784 -4.153 1.00 0.00 H new ATOM 0 HG13 ILE A 137 13.614 8.151 -4.781 1.00 0.00 H new ATOM 0 HG21 ILE A 137 14.732 4.980 -6.085 1.00 0.00 H new ATOM 0 HG22 ILE A 137 15.808 4.512 -4.747 1.00 0.00 H new ATOM 0 HG23 ILE A 137 14.043 4.384 -4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 137 12.096 7.248 -6.474 1.00 0.00 H new ATOM 0 HD12 ILE A 137 13.790 7.042 -6.980 1.00 0.00 H new ATOM 0 HD13 ILE A 137 12.877 5.654 -6.342 1.00 0.00 H new ATOM 2233 N GLN A 138 17.357 6.588 -2.565 1.00 0.00 N ATOM 2234 CA GLN A 138 18.697 6.114 -2.238 1.00 0.00 C ATOM 2235 C GLN A 138 18.647 5.057 -1.140 1.00 0.00 C ATOM 2236 O GLN A 138 19.176 3.955 -1.281 1.00 0.00 O ATOM 2237 CB GLN A 138 19.581 7.283 -1.799 1.00 0.00 C ATOM 2238 CG GLN A 138 20.726 6.870 -0.888 1.00 0.00 C ATOM 2239 CD GLN A 138 21.794 6.078 -1.617 1.00 0.00 C ATOM 2240 OE1 GLN A 138 22.723 6.648 -2.190 1.00 0.00 O ATOM 2241 NE2 GLN A 138 21.668 4.757 -1.597 1.00 0.00 N ATOM 0 H GLN A 138 17.302 7.584 -2.776 1.00 0.00 H new ATOM 0 HA GLN A 138 19.124 5.661 -3.133 1.00 0.00 H new ATOM 0 HB2 GLN A 138 19.989 7.771 -2.684 1.00 0.00 H new ATOM 0 HB3 GLN A 138 18.965 8.020 -1.284 1.00 0.00 H new ATOM 0 HG2 GLN A 138 21.175 7.761 -0.449 1.00 0.00 H new ATOM 0 HG3 GLN A 138 20.334 6.272 -0.065 1.00 0.00 H new ATOM 0 HE21 GLN A 138 20.882 4.327 -1.110 1.00 0.00 H new ATOM 0 HE22 GLN A 138 22.357 4.172 -2.069 1.00 0.00 H new ATOM 2250 N PRO A 139 17.998 5.399 -0.017 1.00 0.00 N ATOM 2251 CA PRO A 139 17.864 4.493 1.127 1.00 0.00 C ATOM 2252 C PRO A 139 16.937 3.319 0.832 1.00 0.00 C ATOM 2253 O PRO A 139 17.217 2.182 1.214 1.00 0.00 O ATOM 2254 CB PRO A 139 17.266 5.386 2.218 1.00 0.00 C ATOM 2255 CG PRO A 139 16.551 6.462 1.477 1.00 0.00 C ATOM 2256 CD PRO A 139 17.343 6.697 0.221 1.00 0.00 C ATOM 0 HA PRO A 139 18.817 4.040 1.402 1.00 0.00 H new ATOM 0 HB2 PRO A 139 16.584 4.826 2.858 1.00 0.00 H new ATOM 0 HB3 PRO A 139 18.043 5.798 2.862 1.00 0.00 H new ATOM 0 HG2 PRO A 139 15.529 6.162 1.244 1.00 0.00 H new ATOM 0 HG3 PRO A 139 16.488 7.372 2.074 1.00 0.00 H new ATOM 0 HD2 PRO A 139 16.700 6.982 -0.612 1.00 0.00 H new ATOM 0 HD3 PRO A 139 18.072 7.497 0.349 1.00 0.00 H new ATOM 2264 N LEU A 140 15.832 3.601 0.150 1.00 0.00 N ATOM 2265 CA LEU A 140 14.863 2.567 -0.197 1.00 0.00 C ATOM 2266 C LEU A 140 15.512 1.472 -1.036 1.00 0.00 C ATOM 2267 O LEU A 140 15.066 0.324 -1.032 1.00 0.00 O ATOM 2268 CB LEU A 140 13.686 3.179 -0.959 1.00 0.00 C ATOM 2269 CG LEU A 140 12.880 4.241 -0.210 1.00 0.00 C ATOM 2270 CD1 LEU A 140 11.827 4.853 -1.120 1.00 0.00 C ATOM 2271 CD2 LEU A 140 12.234 3.642 1.031 1.00 0.00 C ATOM 0 H LEU A 140 15.585 4.536 -0.173 1.00 0.00 H new ATOM 0 HA LEU A 140 14.497 2.121 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 140 14.066 3.622 -1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 140 13.009 2.375 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 140 13.561 5.032 0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 140 11.264 5.606 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 140 12.313 5.318 -1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 140 11.148 4.074 -1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 140 11.664 4.411 1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 140 11.566 2.832 0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 140 13.008 3.253 1.693 1.00 0.00 H new ATOM 2283 N LEU A 141 16.570 1.833 -1.755 1.00 0.00 N ATOM 2284 CA LEU A 141 17.284 0.880 -2.598 1.00 0.00 C ATOM 2285 C LEU A 141 18.132 -0.065 -1.753 1.00 0.00 C ATOM 2286 O LEU A 141 18.370 -1.211 -2.136 1.00 0.00 O ATOM 2287 CB LEU A 141 18.170 1.621 -3.601 1.00 0.00 C ATOM 2288 CG LEU A 141 17.456 2.220 -4.813 1.00 0.00 C ATOM 2289 CD1 LEU A 141 18.351 3.231 -5.514 1.00 0.00 C ATOM 2290 CD2 LEU A 141 17.032 1.122 -5.778 1.00 0.00 C ATOM 0 H LEU A 141 16.952 2.779 -1.771 1.00 0.00 H new ATOM 0 HA LEU A 141 16.547 0.289 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 141 18.686 2.424 -3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 141 18.934 0.931 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 141 16.562 2.737 -4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 141 17.826 3.647 -6.374 1.00 0.00 H new ATOM 0 HD12 LEU A 141 18.605 4.033 -4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 141 19.264 2.738 -5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 141 16.525 1.566 -6.635 1.00 0.00 H new ATOM 0 HD22 LEU A 141 17.912 0.578 -6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 141 16.354 0.435 -5.272 1.00 0.00 H new ATOM 2302 N ASP A 142 18.584 0.421 -0.603 1.00 0.00 N ATOM 2303 CA ASP A 142 19.403 -0.381 0.298 1.00 0.00 C ATOM 2304 C ASP A 142 18.530 -1.255 1.193 1.00 0.00 C ATOM 2305 O ASP A 142 18.785 -2.448 1.352 1.00 0.00 O ATOM 2306 CB ASP A 142 20.291 0.522 1.155 1.00 0.00 C ATOM 2307 CG ASP A 142 21.597 -0.146 1.539 1.00 0.00 C ATOM 2308 OD1 ASP A 142 21.629 -0.832 2.582 1.00 0.00 O ATOM 2309 OD2 ASP A 142 22.586 0.015 0.795 1.00 0.00 O ATOM 0 H ASP A 142 18.397 1.368 -0.272 1.00 0.00 H new ATOM 0 HA ASP A 142 20.036 -1.030 -0.307 1.00 0.00 H new ATOM 0 HB2 ASP A 142 20.503 1.441 0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 142 19.752 0.805 2.059 1.00 0.00 H new ATOM 2314 N MET A 143 17.499 -0.651 1.777 1.00 0.00 N ATOM 2315 CA MET A 143 16.588 -1.374 2.657 1.00 0.00 C ATOM 2316 C MET A 143 16.252 -2.746 2.081 1.00 0.00 C ATOM 2317 O MET A 143 16.127 -3.725 2.817 1.00 0.00 O ATOM 2318 CB MET A 143 15.305 -0.569 2.871 1.00 0.00 C ATOM 2319 CG MET A 143 15.551 0.840 3.384 1.00 0.00 C ATOM 2320 SD MET A 143 14.254 1.409 4.500 1.00 0.00 S ATOM 2321 CE MET A 143 12.788 0.935 3.585 1.00 0.00 C ATOM 0 H MET A 143 17.274 0.337 1.656 1.00 0.00 H new ATOM 0 HA MET A 143 17.084 -1.514 3.617 1.00 0.00 H new ATOM 0 HB2 MET A 143 14.759 -0.514 1.929 1.00 0.00 H new ATOM 0 HB3 MET A 143 14.667 -1.099 3.579 1.00 0.00 H new ATOM 0 HG2 MET A 143 16.510 0.872 3.901 1.00 0.00 H new ATOM 0 HG3 MET A 143 15.622 1.523 2.538 1.00 0.00 H new ATOM 0 HE1 MET A 143 11.934 1.511 3.942 1.00 0.00 H new ATOM 0 HE2 MET A 143 12.941 1.133 2.524 1.00 0.00 H new ATOM 0 HE3 MET A 143 12.596 -0.128 3.731 1.00 0.00 H new ATOM 2331 N ALA A 144 16.106 -2.810 0.762 1.00 0.00 N ATOM 2332 CA ALA A 144 15.785 -4.062 0.088 1.00 0.00 C ATOM 2333 C ALA A 144 16.914 -5.075 0.246 1.00 0.00 C ATOM 2334 O ALA A 144 16.670 -6.270 0.412 1.00 0.00 O ATOM 2335 CB ALA A 144 15.501 -3.811 -1.385 1.00 0.00 C ATOM 0 H ALA A 144 16.205 -2.009 0.138 1.00 0.00 H new ATOM 0 HA ALA A 144 14.891 -4.478 0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 144 15.263 -4.755 -1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 144 14.657 -3.129 -1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 144 16.380 -3.369 -1.855 1.00 0.00 H new