USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 893 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 105 LYS NZ :NH3+ -133:sc= -0.0111 (180deg=-0.166) USER MOD Set 1.2: A 108 THR OG1 : rot 160:sc= 0 USER MOD Set 2.1: A 41 SER OG : rot 36:sc= 0.397 USER MOD Set 2.2: A 77 GLN : amide:sc= 0.471 K(o=0.87,f=-2.3) USER MOD Set 3.1: A 37 TYR OH : rot -147:sc= -0.749 USER MOD Set 3.2: A 39 SER OG : rot -110:sc= 0.00378 USER MOD Set 3.3: A 53 CYS SG : rot -30:sc= -0.805 USER MOD Set 3.4: A 75 TYR OH : rot 64:sc= 0.00415 USER MOD Single : A 10 THR OG1 : rot 36:sc= 0.134 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -5.61! C(o=-5.6!,f=-3.5!) USER MOD Single : A 31 SER OG : rot 180:sc= -0.417 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 160:sc= 0.0101 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 102:sc= 0.429 USER MOD Single : A 50 CYS SG : rot 180:sc= -1.31 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.0935 X(o=-0.093,f=0.0049) USER MOD Single : A 68 THR OG1 : rot -135:sc= 0.0949 USER MOD Single : A 71 CYS SG : rot 152:sc= 0.121 USER MOD Single : A 76 CYS SG : rot 91:sc= -0.0546 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -2.3! C(o=-2.3!,f=-4.6!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 162:sc= -0.0193 (180deg=-0.175) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -45:sc= 1.01 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 CYS SG : rot 151:sc= -2.78 USER MOD Single : A 118 CYS SG : rot -23:sc= 0.747 USER MOD Single : A 119 GLN : amide:sc= -1.51 K(o=-1.5,f=-2.3!) USER MOD Single : A 120 SER OG : rot 180:sc= 0.0314 USER MOD Single : A 121 SER OG : rot 180:sc= -0.0466 USER MOD Single : A 125 MET CE :methyl 155:sc= -0.145 (180deg=-0.649) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N THR A 10 0.357 4.537 6.715 1.00 0.00 N ATOM 103 CA THR A 10 -0.133 3.557 7.675 1.00 0.00 C ATOM 104 C THR A 10 -0.288 2.184 7.030 1.00 0.00 C ATOM 105 O THR A 10 -0.923 2.047 5.984 1.00 0.00 O ATOM 106 CB THR A 10 -1.486 3.984 8.275 1.00 0.00 C ATOM 107 OG1 THR A 10 -2.444 4.185 7.229 1.00 0.00 O ATOM 108 CG2 THR A 10 -1.338 5.262 9.087 1.00 0.00 C ATOM 0 HA THR A 10 0.608 3.500 8.472 1.00 0.00 H new ATOM 0 HB THR A 10 -1.833 3.190 8.937 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.291 3.531 6.515 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.306 5.544 9.501 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.630 5.097 9.899 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.972 6.062 8.443 1.00 0.00 H new ATOM 116 N PHE A 11 0.296 1.170 7.659 1.00 0.00 N ATOM 117 CA PHE A 11 0.224 -0.193 7.145 1.00 0.00 C ATOM 118 C PHE A 11 -0.391 -1.132 8.179 1.00 0.00 C ATOM 119 O PHE A 11 0.069 -1.202 9.318 1.00 0.00 O ATOM 120 CB PHE A 11 1.618 -0.688 6.754 1.00 0.00 C ATOM 121 CG PHE A 11 2.350 -1.365 7.877 1.00 0.00 C ATOM 122 CD1 PHE A 11 2.161 -2.714 8.131 1.00 0.00 C ATOM 123 CD2 PHE A 11 3.226 -0.653 8.680 1.00 0.00 C ATOM 124 CE1 PHE A 11 2.834 -3.341 9.163 1.00 0.00 C ATOM 125 CE2 PHE A 11 3.902 -1.274 9.713 1.00 0.00 C ATOM 126 CZ PHE A 11 3.704 -2.619 9.956 1.00 0.00 C ATOM 0 H PHE A 11 0.825 1.266 8.526 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.413 -0.188 6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 11 1.527 -1.383 5.919 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.210 0.157 6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.480 -3.282 7.515 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.382 0.400 8.497 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.680 -4.394 9.349 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.584 -0.708 10.330 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.229 -3.105 10.765 1.00 0.00 H new ATOM 136 N GLU A 12 -1.433 -1.850 7.772 1.00 0.00 N ATOM 137 CA GLU A 12 -2.111 -2.784 8.663 1.00 0.00 C ATOM 138 C GLU A 12 -2.043 -4.207 8.115 1.00 0.00 C ATOM 139 O GLU A 12 -2.247 -4.433 6.923 1.00 0.00 O ATOM 140 CB GLU A 12 -3.571 -2.370 8.857 1.00 0.00 C ATOM 141 CG GLU A 12 -4.315 -3.218 9.874 1.00 0.00 C ATOM 142 CD GLU A 12 -3.624 -3.250 11.224 1.00 0.00 C ATOM 143 OE1 GLU A 12 -3.663 -2.223 11.934 1.00 0.00 O ATOM 144 OE2 GLU A 12 -3.046 -4.301 11.570 1.00 0.00 O ATOM 0 H GLU A 12 -1.826 -1.803 6.832 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.603 -2.760 9.627 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.605 -1.327 9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.087 -2.431 7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.326 -2.829 9.996 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.409 -4.235 9.494 1.00 0.00 H new ATOM 151 N GLU A 13 -1.753 -5.160 8.995 1.00 0.00 N ATOM 152 CA GLU A 13 -1.657 -6.560 8.599 1.00 0.00 C ATOM 153 C GLU A 13 -2.940 -7.312 8.940 1.00 0.00 C ATOM 154 O GLU A 13 -3.384 -7.316 10.088 1.00 0.00 O ATOM 155 CB GLU A 13 -0.464 -7.227 9.287 1.00 0.00 C ATOM 156 CG GLU A 13 0.020 -8.484 8.585 1.00 0.00 C ATOM 157 CD GLU A 13 -1.074 -9.523 8.428 1.00 0.00 C ATOM 158 OE1 GLU A 13 -1.375 -10.222 9.419 1.00 0.00 O ATOM 159 OE2 GLU A 13 -1.629 -9.637 7.315 1.00 0.00 O ATOM 0 H GLU A 13 -1.581 -4.988 9.986 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.512 -6.596 7.519 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.358 -6.513 9.343 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.740 -7.477 10.312 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.409 -8.220 7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.847 -8.915 9.149 1.00 0.00 H new ATOM 166 N VAL A 14 -3.533 -7.946 7.933 1.00 0.00 N ATOM 167 CA VAL A 14 -4.765 -8.702 8.124 1.00 0.00 C ATOM 168 C VAL A 14 -4.600 -10.147 7.666 1.00 0.00 C ATOM 169 O VAL A 14 -4.496 -10.421 6.471 1.00 0.00 O ATOM 170 CB VAL A 14 -5.940 -8.063 7.360 1.00 0.00 C ATOM 171 CG1 VAL A 14 -7.206 -8.885 7.543 1.00 0.00 C ATOM 172 CG2 VAL A 14 -6.155 -6.628 7.818 1.00 0.00 C ATOM 0 H VAL A 14 -3.180 -7.951 6.976 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.984 -8.686 9.192 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.696 -8.049 6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.025 -8.418 6.996 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.043 -9.893 7.162 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.458 -8.934 8.602 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.989 -6.192 7.268 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.378 -6.616 8.885 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.252 -6.047 7.630 1.00 0.00 H new ATOM 182 N SER A 15 -4.578 -11.067 8.625 1.00 0.00 N ATOM 183 CA SER A 15 -4.423 -12.484 8.321 1.00 0.00 C ATOM 184 C SER A 15 -5.770 -13.118 7.984 1.00 0.00 C ATOM 185 O SER A 15 -6.742 -12.969 8.725 1.00 0.00 O ATOM 186 CB SER A 15 -3.785 -13.215 9.503 1.00 0.00 C ATOM 187 OG SER A 15 -3.723 -14.611 9.268 1.00 0.00 O ATOM 0 H SER A 15 -4.666 -10.856 9.619 1.00 0.00 H new ATOM 0 HA SER A 15 -3.770 -12.574 7.453 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.781 -12.827 9.675 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.361 -13.021 10.408 1.00 0.00 H new ATOM 0 HG SER A 15 -3.309 -15.054 10.038 1.00 0.00 H new ATOM 193 N VAL A 16 -5.819 -13.826 6.860 1.00 0.00 N ATOM 194 CA VAL A 16 -7.045 -14.484 6.424 1.00 0.00 C ATOM 195 C VAL A 16 -6.747 -15.842 5.798 1.00 0.00 C ATOM 196 O VAL A 16 -5.638 -16.088 5.321 1.00 0.00 O ATOM 197 CB VAL A 16 -7.814 -13.620 5.407 1.00 0.00 C ATOM 198 CG1 VAL A 16 -8.516 -12.468 6.109 1.00 0.00 C ATOM 199 CG2 VAL A 16 -6.875 -13.105 4.327 1.00 0.00 C ATOM 0 H VAL A 16 -5.024 -13.959 6.235 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.662 -14.624 7.311 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.573 -14.240 4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.054 -11.868 5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.220 -12.863 6.841 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.778 -11.846 6.615 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.436 -12.497 3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.092 -12.500 4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.424 -13.949 3.805 1.00 0.00 H new ATOM 209 N LEU A 17 -7.743 -16.720 5.802 1.00 0.00 N ATOM 210 CA LEU A 17 -7.589 -18.055 5.233 1.00 0.00 C ATOM 211 C LEU A 17 -8.726 -18.370 4.266 1.00 0.00 C ATOM 212 O LEU A 17 -9.868 -18.567 4.678 1.00 0.00 O ATOM 213 CB LEU A 17 -7.546 -19.103 6.347 1.00 0.00 C ATOM 214 CG LEU A 17 -6.895 -20.439 5.986 1.00 0.00 C ATOM 215 CD1 LEU A 17 -6.841 -21.351 7.202 1.00 0.00 C ATOM 216 CD2 LEU A 17 -7.649 -21.110 4.847 1.00 0.00 C ATOM 0 H LEU A 17 -8.666 -16.532 6.193 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.650 -18.082 4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.012 -18.679 7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.567 -19.296 6.677 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.874 -20.247 5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.375 -22.297 6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.257 -20.874 7.989 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.853 -21.536 7.563 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.171 -22.059 4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.681 -21.290 5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.636 -20.462 3.970 1.00 0.00 H new ATOM 228 N GLY A 18 -8.403 -18.416 2.977 1.00 0.00 N ATOM 229 CA GLY A 18 -9.408 -18.710 1.971 1.00 0.00 C ATOM 230 C GLY A 18 -9.773 -17.493 1.144 1.00 0.00 C ATOM 231 O GLY A 18 -9.114 -16.456 1.228 1.00 0.00 O ATOM 0 H GLY A 18 -7.464 -18.255 2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.039 -19.496 1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.303 -19.096 2.458 1.00 0.00 H new ATOM 235 N PHE A 19 -10.824 -17.619 0.342 1.00 0.00 N ATOM 236 CA PHE A 19 -11.274 -16.521 -0.507 1.00 0.00 C ATOM 237 C PHE A 19 -12.360 -15.706 0.190 1.00 0.00 C ATOM 238 O PHE A 19 -12.318 -14.476 0.196 1.00 0.00 O ATOM 239 CB PHE A 19 -11.801 -17.061 -1.838 1.00 0.00 C ATOM 240 CG PHE A 19 -11.895 -16.016 -2.913 1.00 0.00 C ATOM 241 CD1 PHE A 19 -12.812 -14.982 -2.814 1.00 0.00 C ATOM 242 CD2 PHE A 19 -11.065 -16.067 -4.022 1.00 0.00 C ATOM 243 CE1 PHE A 19 -12.901 -14.020 -3.802 1.00 0.00 C ATOM 244 CE2 PHE A 19 -11.149 -15.107 -5.013 1.00 0.00 C ATOM 245 CZ PHE A 19 -12.068 -14.082 -4.902 1.00 0.00 C ATOM 0 H PHE A 19 -11.381 -18.470 0.261 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.422 -15.869 -0.699 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.148 -17.864 -2.179 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.787 -17.497 -1.679 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -13.464 -14.927 -1.955 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.344 -16.866 -4.113 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -13.621 -13.220 -3.714 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.497 -15.158 -5.873 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.135 -13.330 -5.674 1.00 0.00 H new ATOM 255 N GLU A 20 -13.331 -16.401 0.774 1.00 0.00 N ATOM 256 CA GLU A 20 -14.428 -15.741 1.472 1.00 0.00 C ATOM 257 C GLU A 20 -13.903 -14.669 2.422 1.00 0.00 C ATOM 258 O GLU A 20 -14.205 -13.486 2.267 1.00 0.00 O ATOM 259 CB GLU A 20 -15.257 -16.766 2.250 1.00 0.00 C ATOM 260 CG GLU A 20 -16.272 -17.504 1.394 1.00 0.00 C ATOM 261 CD GLU A 20 -15.636 -18.567 0.519 1.00 0.00 C ATOM 262 OE1 GLU A 20 -15.066 -19.529 1.074 1.00 0.00 O ATOM 263 OE2 GLU A 20 -15.709 -18.436 -0.721 1.00 0.00 O ATOM 0 H GLU A 20 -13.380 -17.420 0.778 1.00 0.00 H new ATOM 0 HA GLU A 20 -15.062 -15.261 0.726 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.585 -17.492 2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.779 -16.258 3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -17.017 -17.969 2.040 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.799 -16.788 0.764 1.00 0.00 H new ATOM 270 N GLU A 21 -13.115 -15.092 3.405 1.00 0.00 N ATOM 271 CA GLU A 21 -12.548 -14.169 4.380 1.00 0.00 C ATOM 272 C GLU A 21 -11.719 -13.089 3.690 1.00 0.00 C ATOM 273 O GLU A 21 -11.800 -11.911 4.039 1.00 0.00 O ATOM 274 CB GLU A 21 -11.682 -14.925 5.389 1.00 0.00 C ATOM 275 CG GLU A 21 -12.485 -15.721 6.405 1.00 0.00 C ATOM 276 CD GLU A 21 -13.239 -14.834 7.376 1.00 0.00 C ATOM 277 OE1 GLU A 21 -12.739 -13.731 7.683 1.00 0.00 O ATOM 278 OE2 GLU A 21 -14.329 -15.242 7.829 1.00 0.00 O ATOM 0 H GLU A 21 -12.855 -16.068 3.547 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.372 -13.689 4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.020 -15.603 4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.048 -14.212 5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.193 -16.363 5.881 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.813 -16.375 6.962 1.00 0.00 H new ATOM 285 N PHE A 22 -10.922 -13.500 2.710 1.00 0.00 N ATOM 286 CA PHE A 22 -10.076 -12.570 1.971 1.00 0.00 C ATOM 287 C PHE A 22 -10.886 -11.375 1.475 1.00 0.00 C ATOM 288 O PHE A 22 -10.627 -10.234 1.858 1.00 0.00 O ATOM 289 CB PHE A 22 -9.415 -13.278 0.787 1.00 0.00 C ATOM 290 CG PHE A 22 -8.936 -12.339 -0.282 1.00 0.00 C ATOM 291 CD1 PHE A 22 -8.244 -11.185 0.049 1.00 0.00 C ATOM 292 CD2 PHE A 22 -9.177 -12.610 -1.620 1.00 0.00 C ATOM 293 CE1 PHE A 22 -7.804 -10.319 -0.933 1.00 0.00 C ATOM 294 CE2 PHE A 22 -8.739 -11.747 -2.607 1.00 0.00 C ATOM 295 CZ PHE A 22 -8.050 -10.601 -2.263 1.00 0.00 C ATOM 0 H PHE A 22 -10.844 -14.471 2.409 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.301 -12.207 2.647 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.570 -13.864 1.150 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -10.126 -13.980 0.351 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.046 -10.960 1.087 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.713 -13.506 -1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.268 -9.422 -0.661 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -8.935 -11.969 -3.646 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.704 -9.926 -3.032 1.00 0.00 H new ATOM 305 N ASP A 23 -11.866 -11.646 0.621 1.00 0.00 N ATOM 306 CA ASP A 23 -12.715 -10.595 0.072 1.00 0.00 C ATOM 307 C ASP A 23 -13.237 -9.685 1.179 1.00 0.00 C ATOM 308 O ASP A 23 -13.125 -8.461 1.097 1.00 0.00 O ATOM 309 CB ASP A 23 -13.887 -11.206 -0.698 1.00 0.00 C ATOM 310 CG ASP A 23 -14.885 -10.162 -1.157 1.00 0.00 C ATOM 311 OD1 ASP A 23 -15.560 -9.565 -0.293 1.00 0.00 O ATOM 312 OD2 ASP A 23 -14.992 -9.942 -2.382 1.00 0.00 O ATOM 0 H ASP A 23 -12.093 -12.585 0.293 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.114 -9.997 -0.612 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.506 -11.746 -1.565 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.393 -11.935 -0.065 1.00 0.00 H new ATOM 317 N LYS A 24 -13.809 -10.289 2.215 1.00 0.00 N ATOM 318 CA LYS A 24 -14.349 -9.535 3.340 1.00 0.00 C ATOM 319 C LYS A 24 -13.369 -8.456 3.791 1.00 0.00 C ATOM 320 O LYS A 24 -13.746 -7.298 3.970 1.00 0.00 O ATOM 321 CB LYS A 24 -14.664 -10.474 4.506 1.00 0.00 C ATOM 322 CG LYS A 24 -15.571 -9.856 5.556 1.00 0.00 C ATOM 323 CD LYS A 24 -17.013 -9.793 5.080 1.00 0.00 C ATOM 324 CE LYS A 24 -17.674 -11.163 5.121 1.00 0.00 C ATOM 325 NZ LYS A 24 -18.096 -11.534 6.500 1.00 0.00 N ATOM 0 H LYS A 24 -13.911 -11.300 2.299 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.270 -9.051 3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.135 -11.377 4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.730 -10.779 4.978 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.515 -10.439 6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.221 -8.852 5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.574 -9.098 5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.045 -9.403 4.063 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -18.542 -11.167 4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.981 -11.912 4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.542 -12.474 6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.264 -11.555 7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -18.777 -10.833 6.855 1.00 0.00 H new ATOM 339 N ALA A 25 -12.111 -8.844 3.973 1.00 0.00 N ATOM 340 CA ALA A 25 -11.078 -7.910 4.400 1.00 0.00 C ATOM 341 C ALA A 25 -10.832 -6.841 3.340 1.00 0.00 C ATOM 342 O ALA A 25 -10.518 -5.695 3.661 1.00 0.00 O ATOM 343 CB ALA A 25 -9.788 -8.655 4.710 1.00 0.00 C ATOM 0 H ALA A 25 -11.783 -9.799 3.831 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.425 -7.413 5.306 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.025 -7.945 5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.967 -9.376 5.507 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.447 -9.179 3.817 1.00 0.00 H new ATOM 349 N VAL A 26 -10.976 -7.224 2.075 1.00 0.00 N ATOM 350 CA VAL A 26 -10.769 -6.299 0.968 1.00 0.00 C ATOM 351 C VAL A 26 -11.897 -5.276 0.889 1.00 0.00 C ATOM 352 O VAL A 26 -11.669 -4.073 1.011 1.00 0.00 O ATOM 353 CB VAL A 26 -10.672 -7.045 -0.376 1.00 0.00 C ATOM 354 CG1 VAL A 26 -10.698 -6.061 -1.536 1.00 0.00 C ATOM 355 CG2 VAL A 26 -9.416 -7.901 -0.421 1.00 0.00 C ATOM 0 H VAL A 26 -11.235 -8.169 1.792 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.827 -5.784 1.158 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.536 -7.703 -0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.629 -6.606 -2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.629 -5.495 -1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.855 -5.376 -1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.364 -8.421 -1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.538 -7.265 -0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.444 -8.631 0.388 1.00 0.00 H new ATOM 365 N LYS A 27 -13.117 -5.763 0.685 1.00 0.00 N ATOM 366 CA LYS A 27 -14.283 -4.893 0.591 1.00 0.00 C ATOM 367 C LYS A 27 -14.347 -3.940 1.780 1.00 0.00 C ATOM 368 O LYS A 27 -15.048 -2.930 1.740 1.00 0.00 O ATOM 369 CB LYS A 27 -15.563 -5.728 0.522 1.00 0.00 C ATOM 370 CG LYS A 27 -15.691 -6.542 -0.754 1.00 0.00 C ATOM 371 CD LYS A 27 -16.393 -5.757 -1.849 1.00 0.00 C ATOM 372 CE LYS A 27 -16.308 -6.471 -3.189 1.00 0.00 C ATOM 373 NZ LYS A 27 -16.878 -5.649 -4.293 1.00 0.00 N ATOM 0 H LYS A 27 -13.323 -6.757 0.582 1.00 0.00 H new ATOM 0 HA LYS A 27 -14.193 -4.302 -0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -15.593 -6.403 1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -16.424 -5.065 0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.700 -6.840 -1.097 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -16.246 -7.457 -0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -17.439 -5.610 -1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -15.944 -4.767 -1.934 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.267 -6.705 -3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -16.842 -7.420 -3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.801 -6.171 -5.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -17.879 -5.447 -4.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.353 -4.755 -4.367 1.00 0.00 H new ATOM 387 N GLU A 28 -13.611 -4.269 2.837 1.00 0.00 N ATOM 388 CA GLU A 28 -13.586 -3.441 4.037 1.00 0.00 C ATOM 389 C GLU A 28 -12.615 -2.276 3.874 1.00 0.00 C ATOM 390 O GLU A 28 -12.937 -1.133 4.202 1.00 0.00 O ATOM 391 CB GLU A 28 -13.192 -4.281 5.255 1.00 0.00 C ATOM 392 CG GLU A 28 -14.375 -4.924 5.959 1.00 0.00 C ATOM 393 CD GLU A 28 -15.152 -3.940 6.811 1.00 0.00 C ATOM 394 OE1 GLU A 28 -15.713 -2.978 6.246 1.00 0.00 O ATOM 395 OE2 GLU A 28 -15.200 -4.133 8.044 1.00 0.00 O ATOM 0 H GLU A 28 -13.025 -5.102 2.887 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.587 -3.038 4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.500 -5.062 4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.658 -3.649 5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.042 -5.361 5.216 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.019 -5.741 6.587 1.00 0.00 H new ATOM 402 N HIS A 29 -11.423 -2.573 3.364 1.00 0.00 N ATOM 403 CA HIS A 29 -10.404 -1.550 3.157 1.00 0.00 C ATOM 404 C HIS A 29 -10.327 -1.150 1.686 1.00 0.00 C ATOM 405 O HIS A 29 -9.285 -0.701 1.210 1.00 0.00 O ATOM 406 CB HIS A 29 -9.041 -2.054 3.632 1.00 0.00 C ATOM 407 CG HIS A 29 -9.107 -2.858 4.895 1.00 0.00 C ATOM 408 ND1 HIS A 29 -9.446 -2.314 6.116 1.00 0.00 N ATOM 409 CD2 HIS A 29 -8.877 -4.172 5.121 1.00 0.00 C ATOM 410 CE1 HIS A 29 -9.419 -3.259 7.039 1.00 0.00 C ATOM 411 NE2 HIS A 29 -9.077 -4.396 6.461 1.00 0.00 N ATOM 0 H HIS A 29 -11.140 -3.513 3.087 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.682 -0.672 3.740 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.594 -2.663 2.846 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -8.381 -1.200 3.788 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.590 -4.908 4.385 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -9.639 -3.124 8.088 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -8.978 -5.295 6.933 1.00 0.00 H new ATOM 420 N GLU A 30 -11.436 -1.319 0.973 1.00 0.00 N ATOM 421 CA GLU A 30 -11.492 -0.977 -0.443 1.00 0.00 C ATOM 422 C GLU A 30 -11.203 0.506 -0.657 1.00 0.00 C ATOM 423 O GLU A 30 -10.737 0.912 -1.721 1.00 0.00 O ATOM 424 CB GLU A 30 -12.864 -1.329 -1.022 1.00 0.00 C ATOM 425 CG GLU A 30 -13.975 -0.399 -0.563 1.00 0.00 C ATOM 426 CD GLU A 30 -15.319 -0.750 -1.171 1.00 0.00 C ATOM 427 OE1 GLU A 30 -15.559 -0.375 -2.338 1.00 0.00 O ATOM 428 OE2 GLU A 30 -16.130 -1.401 -0.480 1.00 0.00 O ATOM 0 H GLU A 30 -12.307 -1.690 1.352 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.728 -1.557 -0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.807 -1.304 -2.110 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.117 -2.351 -0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.051 -0.438 0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.718 0.627 -0.828 1.00 0.00 H new ATOM 435 N SER A 31 -11.485 1.311 0.363 1.00 0.00 N ATOM 436 CA SER A 31 -11.259 2.750 0.287 1.00 0.00 C ATOM 437 C SER A 31 -9.785 3.057 0.045 1.00 0.00 C ATOM 438 O SER A 31 -9.440 3.875 -0.808 1.00 0.00 O ATOM 439 CB SER A 31 -11.729 3.430 1.574 1.00 0.00 C ATOM 440 OG SER A 31 -11.197 4.739 1.683 1.00 0.00 O ATOM 0 H SER A 31 -11.870 0.991 1.252 1.00 0.00 H new ATOM 0 HA SER A 31 -11.835 3.139 -0.552 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.818 3.474 1.589 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.422 2.837 2.435 1.00 0.00 H new ATOM 0 HG SER A 31 -11.514 5.153 2.513 1.00 0.00 H new ATOM 446 N LYS A 32 -8.917 2.393 0.802 1.00 0.00 N ATOM 447 CA LYS A 32 -7.478 2.592 0.671 1.00 0.00 C ATOM 448 C LYS A 32 -6.839 1.446 -0.106 1.00 0.00 C ATOM 449 O LYS A 32 -7.500 0.460 -0.435 1.00 0.00 O ATOM 450 CB LYS A 32 -6.831 2.710 2.052 1.00 0.00 C ATOM 451 CG LYS A 32 -7.303 3.918 2.844 1.00 0.00 C ATOM 452 CD LYS A 32 -8.602 3.630 3.579 1.00 0.00 C ATOM 453 CE LYS A 32 -8.776 4.545 4.781 1.00 0.00 C ATOM 454 NZ LYS A 32 -9.899 4.104 5.655 1.00 0.00 N ATOM 0 H LYS A 32 -9.185 1.712 1.513 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.313 3.518 0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.045 1.806 2.622 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.749 2.764 1.934 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.535 4.207 3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.445 4.763 2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.443 3.758 2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.613 2.591 3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.852 4.565 5.359 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.960 5.563 4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.985 4.753 6.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.785 4.109 5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.711 3.142 6.002 1.00 0.00 H new ATOM 468 N THR A 33 -5.548 1.580 -0.395 1.00 0.00 N ATOM 469 CA THR A 33 -4.820 0.555 -1.132 1.00 0.00 C ATOM 470 C THR A 33 -4.747 -0.745 -0.340 1.00 0.00 C ATOM 471 O THR A 33 -4.417 -0.742 0.847 1.00 0.00 O ATOM 472 CB THR A 33 -3.390 1.017 -1.472 1.00 0.00 C ATOM 473 OG1 THR A 33 -3.432 2.272 -2.161 1.00 0.00 O ATOM 474 CG2 THR A 33 -2.678 -0.016 -2.332 1.00 0.00 C ATOM 0 H THR A 33 -4.986 2.388 -0.130 1.00 0.00 H new ATOM 0 HA THR A 33 -5.368 0.382 -2.058 1.00 0.00 H new ATOM 0 HB THR A 33 -2.837 1.133 -0.540 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.559 2.712 -2.093 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.670 0.332 -2.559 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.622 -0.962 -1.793 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.230 -0.159 -3.261 1.00 0.00 H new ATOM 482 N ILE A 34 -5.056 -1.854 -1.002 1.00 0.00 N ATOM 483 CA ILE A 34 -5.023 -3.162 -0.359 1.00 0.00 C ATOM 484 C ILE A 34 -3.940 -4.046 -0.967 1.00 0.00 C ATOM 485 O ILE A 34 -3.708 -4.020 -2.176 1.00 0.00 O ATOM 486 CB ILE A 34 -6.380 -3.880 -0.474 1.00 0.00 C ATOM 487 CG1 ILE A 34 -7.455 -3.113 0.301 1.00 0.00 C ATOM 488 CG2 ILE A 34 -6.269 -5.308 0.038 1.00 0.00 C ATOM 489 CD1 ILE A 34 -8.863 -3.407 -0.168 1.00 0.00 C ATOM 0 H ILE A 34 -5.332 -1.873 -1.984 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.800 -2.990 0.694 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.669 -3.913 -1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.374 -3.360 1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.265 -2.044 0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.236 -5.802 -0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.530 -5.850 -0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.961 -5.297 1.084 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.572 -2.829 0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.961 -3.134 -1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.072 -4.470 -0.049 1.00 0.00 H new ATOM 501 N PHE A 35 -3.280 -4.830 -0.121 1.00 0.00 N ATOM 502 CA PHE A 35 -2.221 -5.725 -0.574 1.00 0.00 C ATOM 503 C PHE A 35 -2.508 -7.164 -0.155 1.00 0.00 C ATOM 504 O PHE A 35 -2.440 -7.502 1.026 1.00 0.00 O ATOM 505 CB PHE A 35 -0.870 -5.277 -0.012 1.00 0.00 C ATOM 506 CG PHE A 35 -0.327 -4.042 -0.670 1.00 0.00 C ATOM 507 CD1 PHE A 35 0.435 -4.134 -1.824 1.00 0.00 C ATOM 508 CD2 PHE A 35 -0.577 -2.788 -0.136 1.00 0.00 C ATOM 509 CE1 PHE A 35 0.937 -2.999 -2.432 1.00 0.00 C ATOM 510 CE2 PHE A 35 -0.078 -1.649 -0.739 1.00 0.00 C ATOM 511 CZ PHE A 35 0.679 -1.755 -1.889 1.00 0.00 C ATOM 0 H PHE A 35 -3.460 -4.864 0.882 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.185 -5.683 -1.663 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.973 -5.094 1.057 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.150 -6.087 -0.128 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.639 -5.104 -2.253 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.169 -2.700 0.763 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.530 -3.084 -3.330 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.280 -0.678 -0.312 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.069 -0.867 -2.363 1.00 0.00 H new ATOM 521 N ALA A 36 -2.828 -8.006 -1.132 1.00 0.00 N ATOM 522 CA ALA A 36 -3.124 -9.408 -0.865 1.00 0.00 C ATOM 523 C ALA A 36 -1.903 -10.285 -1.124 1.00 0.00 C ATOM 524 O ALA A 36 -1.395 -10.345 -2.244 1.00 0.00 O ATOM 525 CB ALA A 36 -4.298 -9.871 -1.715 1.00 0.00 C ATOM 0 H ALA A 36 -2.889 -7.742 -2.115 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.392 -9.503 0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.508 -10.920 -1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.177 -9.271 -1.479 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.051 -9.754 -2.770 1.00 0.00 H new ATOM 531 N TYR A 37 -1.436 -10.963 -0.081 1.00 0.00 N ATOM 532 CA TYR A 37 -0.273 -11.834 -0.195 1.00 0.00 C ATOM 533 C TYR A 37 -0.692 -13.301 -0.221 1.00 0.00 C ATOM 534 O TYR A 37 -0.808 -13.945 0.823 1.00 0.00 O ATOM 535 CB TYR A 37 0.690 -11.588 0.968 1.00 0.00 C ATOM 536 CG TYR A 37 1.994 -12.345 0.844 1.00 0.00 C ATOM 537 CD1 TYR A 37 2.833 -12.148 -0.245 1.00 0.00 C ATOM 538 CD2 TYR A 37 2.385 -13.256 1.817 1.00 0.00 C ATOM 539 CE1 TYR A 37 4.025 -12.837 -0.362 1.00 0.00 C ATOM 540 CE2 TYR A 37 3.576 -13.949 1.708 1.00 0.00 C ATOM 541 CZ TYR A 37 4.392 -13.736 0.617 1.00 0.00 C ATOM 542 OH TYR A 37 5.578 -14.425 0.505 1.00 0.00 O ATOM 0 H TYR A 37 -1.845 -10.926 0.853 1.00 0.00 H new ATOM 0 HA TYR A 37 0.233 -11.602 -1.132 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.903 -10.521 1.033 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.201 -11.872 1.900 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.549 -11.444 -1.013 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.748 -13.426 2.673 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.666 -12.672 -1.216 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.866 -14.654 2.473 1.00 0.00 H new ATOM 0 HH TYR A 37 5.476 -15.318 0.895 1.00 0.00 H new ATOM 552 N PHE A 38 -0.916 -13.824 -1.422 1.00 0.00 N ATOM 553 CA PHE A 38 -1.322 -15.215 -1.586 1.00 0.00 C ATOM 554 C PHE A 38 -0.132 -16.154 -1.412 1.00 0.00 C ATOM 555 O PHE A 38 0.850 -16.072 -2.150 1.00 0.00 O ATOM 556 CB PHE A 38 -1.954 -15.425 -2.964 1.00 0.00 C ATOM 557 CG PHE A 38 -2.935 -14.352 -3.343 1.00 0.00 C ATOM 558 CD1 PHE A 38 -4.211 -14.340 -2.804 1.00 0.00 C ATOM 559 CD2 PHE A 38 -2.580 -13.356 -4.239 1.00 0.00 C ATOM 560 CE1 PHE A 38 -5.116 -13.354 -3.151 1.00 0.00 C ATOM 561 CE2 PHE A 38 -3.481 -12.368 -4.589 1.00 0.00 C ATOM 562 CZ PHE A 38 -4.750 -12.368 -4.045 1.00 0.00 C ATOM 0 H PHE A 38 -0.823 -13.306 -2.296 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.059 -15.445 -0.816 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.165 -15.466 -3.715 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.460 -16.391 -2.980 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.502 -15.110 -2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.589 -13.352 -4.668 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.108 -13.355 -2.723 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.193 -11.596 -5.288 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.455 -11.597 -4.319 1.00 0.00 H new ATOM 572 N SER A 39 -0.227 -17.044 -0.429 1.00 0.00 N ATOM 573 CA SER A 39 0.844 -17.995 -0.154 1.00 0.00 C ATOM 574 C SER A 39 0.302 -19.232 0.556 1.00 0.00 C ATOM 575 O SER A 39 -0.851 -19.260 0.986 1.00 0.00 O ATOM 576 CB SER A 39 1.931 -17.339 0.699 1.00 0.00 C ATOM 577 OG SER A 39 1.574 -17.339 2.070 1.00 0.00 O ATOM 0 H SER A 39 -1.034 -17.126 0.190 1.00 0.00 H new ATOM 0 HA SER A 39 1.276 -18.303 -1.106 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.873 -17.871 0.565 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.093 -16.315 0.362 1.00 0.00 H new ATOM 0 HG SER A 39 1.385 -16.422 2.359 1.00 0.00 H new ATOM 583 N GLY A 40 1.144 -20.254 0.676 1.00 0.00 N ATOM 584 CA GLY A 40 0.732 -21.481 1.334 1.00 0.00 C ATOM 585 C GLY A 40 0.393 -21.268 2.796 1.00 0.00 C ATOM 586 O GLY A 40 0.883 -20.329 3.424 1.00 0.00 O ATOM 0 H GLY A 40 2.103 -20.255 0.330 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.136 -21.892 0.819 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.530 -22.219 1.253 1.00 0.00 H new ATOM 590 N SER A 41 -0.449 -22.141 3.340 1.00 0.00 N ATOM 591 CA SER A 41 -0.858 -22.041 4.736 1.00 0.00 C ATOM 592 C SER A 41 0.340 -22.210 5.666 1.00 0.00 C ATOM 593 O SER A 41 1.295 -22.918 5.346 1.00 0.00 O ATOM 594 CB SER A 41 -1.919 -23.096 5.055 1.00 0.00 C ATOM 595 OG SER A 41 -2.438 -22.919 6.362 1.00 0.00 O ATOM 0 H SER A 41 -0.861 -22.926 2.835 1.00 0.00 H new ATOM 0 HA SER A 41 -1.282 -21.050 4.895 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.728 -23.034 4.328 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.485 -24.092 4.965 1.00 0.00 H new ATOM 0 HG SER A 41 -2.485 -21.962 6.568 1.00 0.00 H new ATOM 601 N LYS A 42 0.282 -21.554 6.820 1.00 0.00 N ATOM 602 CA LYS A 42 1.359 -21.630 7.799 1.00 0.00 C ATOM 603 C LYS A 42 1.150 -22.806 8.748 1.00 0.00 C ATOM 604 O LYS A 42 0.031 -23.296 8.908 1.00 0.00 O ATOM 605 CB LYS A 42 1.445 -20.327 8.597 1.00 0.00 C ATOM 606 CG LYS A 42 1.611 -19.092 7.728 1.00 0.00 C ATOM 607 CD LYS A 42 1.677 -17.826 8.565 1.00 0.00 C ATOM 608 CE LYS A 42 0.291 -17.256 8.825 1.00 0.00 C ATOM 609 NZ LYS A 42 0.315 -16.191 9.864 1.00 0.00 N ATOM 0 H LYS A 42 -0.501 -20.963 7.100 1.00 0.00 H new ATOM 0 HA LYS A 42 2.295 -21.781 7.261 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.543 -20.219 9.199 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.284 -20.389 9.289 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.520 -19.184 7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.778 -19.024 7.028 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.167 -18.042 9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.287 -17.082 8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.114 -16.850 7.898 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.377 -18.057 9.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.649 -15.829 10.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.678 -16.584 10.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.933 -15.415 9.551 1.00 0.00 H new ATOM 693 N SER A 48 5.488 -21.179 6.281 1.00 0.00 N ATOM 694 CA SER A 48 4.827 -21.773 5.125 1.00 0.00 C ATOM 695 C SER A 48 5.624 -22.961 4.594 1.00 0.00 C ATOM 696 O SER A 48 6.853 -22.925 4.544 1.00 0.00 O ATOM 697 CB SER A 48 4.649 -20.730 4.020 1.00 0.00 C ATOM 698 OG SER A 48 3.689 -21.154 3.068 1.00 0.00 O ATOM 0 HA SER A 48 3.846 -22.128 5.442 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.337 -19.782 4.458 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.604 -20.554 3.525 1.00 0.00 H new ATOM 0 HG SER A 48 2.840 -20.693 3.232 1.00 0.00 H new ATOM 704 N TRP A 49 4.914 -24.013 4.201 1.00 0.00 N ATOM 705 CA TRP A 49 5.555 -25.213 3.674 1.00 0.00 C ATOM 706 C TRP A 49 6.589 -24.856 2.611 1.00 0.00 C ATOM 707 O TRP A 49 7.472 -25.655 2.299 1.00 0.00 O ATOM 708 CB TRP A 49 4.506 -26.158 3.086 1.00 0.00 C ATOM 709 CG TRP A 49 3.563 -25.483 2.137 1.00 0.00 C ATOM 710 CD1 TRP A 49 2.311 -25.017 2.419 1.00 0.00 C ATOM 711 CD2 TRP A 49 3.796 -25.200 0.753 1.00 0.00 C ATOM 712 NE1 TRP A 49 1.751 -24.462 1.293 1.00 0.00 N ATOM 713 CE2 TRP A 49 2.642 -24.561 0.258 1.00 0.00 C ATOM 714 CE3 TRP A 49 4.867 -25.423 -0.117 1.00 0.00 C ATOM 715 CZ2 TRP A 49 2.532 -24.145 -1.066 1.00 0.00 C ATOM 716 CZ3 TRP A 49 4.756 -25.009 -1.430 1.00 0.00 C ATOM 717 CH2 TRP A 49 3.596 -24.375 -1.895 1.00 0.00 C ATOM 0 H TRP A 49 3.896 -24.059 4.237 1.00 0.00 H new ATOM 0 HA TRP A 49 6.066 -25.714 4.496 1.00 0.00 H new ATOM 0 HB2 TRP A 49 5.011 -26.972 2.567 1.00 0.00 H new ATOM 0 HB3 TRP A 49 3.934 -26.605 3.899 1.00 0.00 H new ATOM 0 HD1 TRP A 49 1.831 -25.076 3.385 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.822 -24.044 1.237 1.00 0.00 H new ATOM 0 HE3 TRP A 49 5.766 -25.910 0.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 1.638 -23.658 -1.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 5.578 -25.177 -2.110 1.00 0.00 H new ATOM 0 HH2 TRP A 49 3.541 -24.062 -2.927 1.00 0.00 H new ATOM 728 N CYS A 50 6.473 -23.653 2.060 1.00 0.00 N ATOM 729 CA CYS A 50 7.399 -23.192 1.031 1.00 0.00 C ATOM 730 C CYS A 50 8.606 -22.500 1.657 1.00 0.00 C ATOM 731 O CYS A 50 8.480 -21.685 2.571 1.00 0.00 O ATOM 732 CB CYS A 50 6.690 -22.237 0.069 1.00 0.00 C ATOM 733 SG CYS A 50 7.729 -21.655 -1.292 1.00 0.00 S ATOM 0 H CYS A 50 5.748 -22.980 2.308 1.00 0.00 H new ATOM 0 HA CYS A 50 7.749 -24.062 0.475 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.815 -22.738 -0.345 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.328 -21.375 0.630 1.00 0.00 H new ATOM 0 HG CYS A 50 7.041 -20.855 -2.052 1.00 0.00 H new ATOM 739 N PRO A 51 9.804 -22.832 1.155 1.00 0.00 N ATOM 740 CA PRO A 51 11.057 -22.254 1.650 1.00 0.00 C ATOM 741 C PRO A 51 11.202 -20.782 1.283 1.00 0.00 C ATOM 742 O PRO A 51 11.581 -19.959 2.117 1.00 0.00 O ATOM 743 CB PRO A 51 12.133 -23.088 0.950 1.00 0.00 C ATOM 744 CG PRO A 51 11.476 -23.592 -0.288 1.00 0.00 C ATOM 745 CD PRO A 51 10.029 -23.796 0.065 1.00 0.00 C ATOM 0 HA PRO A 51 11.117 -22.282 2.738 1.00 0.00 H new ATOM 0 HB2 PRO A 51 13.010 -22.485 0.715 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.470 -23.910 1.582 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.582 -22.878 -1.104 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.932 -24.525 -0.620 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.376 -23.600 -0.786 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.834 -24.819 0.387 1.00 0.00 H new ATOM 753 N ASP A 52 10.899 -20.456 0.032 1.00 0.00 N ATOM 754 CA ASP A 52 10.994 -19.081 -0.445 1.00 0.00 C ATOM 755 C ASP A 52 10.089 -18.160 0.367 1.00 0.00 C ATOM 756 O ASP A 52 10.523 -17.113 0.848 1.00 0.00 O ATOM 757 CB ASP A 52 10.621 -19.006 -1.927 1.00 0.00 C ATOM 758 CG ASP A 52 11.645 -19.683 -2.816 1.00 0.00 C ATOM 759 OD1 ASP A 52 12.145 -20.761 -2.431 1.00 0.00 O ATOM 760 OD2 ASP A 52 11.947 -19.136 -3.898 1.00 0.00 O ATOM 0 H ASP A 52 10.585 -21.125 -0.671 1.00 0.00 H new ATOM 0 HA ASP A 52 12.025 -18.750 -0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.648 -19.473 -2.078 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.522 -17.961 -2.222 1.00 0.00 H new ATOM 765 N CYS A 53 8.829 -18.557 0.514 1.00 0.00 N ATOM 766 CA CYS A 53 7.862 -17.766 1.267 1.00 0.00 C ATOM 767 C CYS A 53 8.419 -17.383 2.634 1.00 0.00 C ATOM 768 O CYS A 53 8.308 -16.233 3.061 1.00 0.00 O ATOM 769 CB CYS A 53 6.556 -18.544 1.434 1.00 0.00 C ATOM 770 SG CYS A 53 5.124 -17.510 1.819 1.00 0.00 S ATOM 0 H CYS A 53 8.454 -19.421 0.122 1.00 0.00 H new ATOM 0 HA CYS A 53 7.663 -16.852 0.708 1.00 0.00 H new ATOM 0 HB2 CYS A 53 6.355 -19.097 0.516 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.683 -19.280 2.228 1.00 0.00 H new ATOM 0 HG CYS A 53 5.510 -16.467 2.493 1.00 0.00 H new ATOM 776 N VAL A 54 9.017 -18.353 3.317 1.00 0.00 N ATOM 777 CA VAL A 54 9.591 -18.118 4.636 1.00 0.00 C ATOM 778 C VAL A 54 10.701 -17.075 4.575 1.00 0.00 C ATOM 779 O VAL A 54 11.047 -16.462 5.584 1.00 0.00 O ATOM 780 CB VAL A 54 10.154 -19.417 5.243 1.00 0.00 C ATOM 781 CG1 VAL A 54 10.928 -19.119 6.518 1.00 0.00 C ATOM 782 CG2 VAL A 54 9.033 -20.410 5.509 1.00 0.00 C ATOM 0 H VAL A 54 9.117 -19.310 2.978 1.00 0.00 H new ATOM 0 HA VAL A 54 8.785 -17.749 5.270 1.00 0.00 H new ATOM 0 HB VAL A 54 10.842 -19.865 4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 54 11.318 -20.049 6.932 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.756 -18.447 6.292 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.265 -18.648 7.244 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.449 -21.322 5.938 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.319 -19.974 6.207 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.527 -20.647 4.573 1.00 0.00 H new ATOM 792 N GLU A 55 11.256 -16.880 3.382 1.00 0.00 N ATOM 793 CA GLU A 55 12.329 -15.911 3.190 1.00 0.00 C ATOM 794 C GLU A 55 11.776 -14.582 2.682 1.00 0.00 C ATOM 795 O GLU A 55 12.347 -13.522 2.939 1.00 0.00 O ATOM 796 CB GLU A 55 13.366 -16.454 2.204 1.00 0.00 C ATOM 797 CG GLU A 55 14.711 -15.752 2.288 1.00 0.00 C ATOM 798 CD GLU A 55 15.518 -16.181 3.499 1.00 0.00 C ATOM 799 OE1 GLU A 55 14.920 -16.339 4.584 1.00 0.00 O ATOM 800 OE2 GLU A 55 16.746 -16.358 3.362 1.00 0.00 O ATOM 0 H GLU A 55 10.981 -17.379 2.536 1.00 0.00 H new ATOM 0 HA GLU A 55 12.808 -15.742 4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.509 -17.519 2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.977 -16.356 1.190 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.282 -15.960 1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 55 14.553 -14.674 2.325 1.00 0.00 H new ATOM 807 N ALA A 56 10.662 -14.648 1.961 1.00 0.00 N ATOM 808 CA ALA A 56 10.032 -13.451 1.418 1.00 0.00 C ATOM 809 C ALA A 56 9.209 -12.733 2.483 1.00 0.00 C ATOM 810 O ALA A 56 9.086 -11.509 2.464 1.00 0.00 O ATOM 811 CB ALA A 56 9.157 -13.809 0.226 1.00 0.00 C ATOM 0 H ALA A 56 10.177 -15.518 1.739 1.00 0.00 H new ATOM 0 HA ALA A 56 10.820 -12.775 1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.693 -12.905 -0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.769 -14.271 -0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.381 -14.507 0.541 1.00 0.00 H new ATOM 817 N GLU A 57 8.648 -13.504 3.410 1.00 0.00 N ATOM 818 CA GLU A 57 7.836 -12.940 4.482 1.00 0.00 C ATOM 819 C GLU A 57 8.496 -11.694 5.067 1.00 0.00 C ATOM 820 O GLU A 57 7.930 -10.601 5.064 1.00 0.00 O ATOM 821 CB GLU A 57 7.614 -13.978 5.584 1.00 0.00 C ATOM 822 CG GLU A 57 7.503 -13.376 6.974 1.00 0.00 C ATOM 823 CD GLU A 57 6.294 -12.473 7.124 1.00 0.00 C ATOM 824 OE1 GLU A 57 5.902 -11.834 6.126 1.00 0.00 O ATOM 825 OE2 GLU A 57 5.740 -12.405 8.242 1.00 0.00 O ATOM 0 H GLU A 57 8.741 -14.519 3.440 1.00 0.00 H new ATOM 0 HA GLU A 57 6.872 -12.656 4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.704 -14.538 5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.438 -14.691 5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.446 -14.178 7.710 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.406 -12.807 7.192 1.00 0.00 H new ATOM 832 N PRO A 58 9.723 -11.862 5.583 1.00 0.00 N ATOM 833 CA PRO A 58 10.487 -10.764 6.181 1.00 0.00 C ATOM 834 C PRO A 58 10.956 -9.750 5.143 1.00 0.00 C ATOM 835 O PRO A 58 11.402 -8.656 5.486 1.00 0.00 O ATOM 836 CB PRO A 58 11.686 -11.471 6.817 1.00 0.00 C ATOM 837 CG PRO A 58 11.846 -12.727 6.031 1.00 0.00 C ATOM 838 CD PRO A 58 10.459 -13.137 5.621 1.00 0.00 C ATOM 0 HA PRO A 58 9.889 -10.190 6.888 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.583 -10.854 6.764 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.507 -11.684 7.871 1.00 0.00 H new ATOM 0 HG2 PRO A 58 12.479 -12.564 5.159 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.322 -13.504 6.629 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.457 -13.631 4.649 1.00 0.00 H new ATOM 0 HD3 PRO A 58 10.019 -13.834 6.334 1.00 0.00 H new ATOM 846 N VAL A 59 10.850 -10.122 3.871 1.00 0.00 N ATOM 847 CA VAL A 59 11.262 -9.244 2.782 1.00 0.00 C ATOM 848 C VAL A 59 10.105 -8.368 2.315 1.00 0.00 C ATOM 849 O VAL A 59 10.315 -7.287 1.764 1.00 0.00 O ATOM 850 CB VAL A 59 11.797 -10.050 1.583 1.00 0.00 C ATOM 851 CG1 VAL A 59 12.407 -9.121 0.544 1.00 0.00 C ATOM 852 CG2 VAL A 59 12.812 -11.084 2.047 1.00 0.00 C ATOM 0 H VAL A 59 10.483 -11.025 3.570 1.00 0.00 H new ATOM 0 HA VAL A 59 12.060 -8.611 3.170 1.00 0.00 H new ATOM 0 HB VAL A 59 10.962 -10.576 1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.779 -9.708 -0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.648 -8.423 0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.231 -8.565 0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 59 13.180 -11.644 1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.646 -10.581 2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.338 -11.769 2.751 1.00 0.00 H new ATOM 862 N ILE A 60 8.884 -8.840 2.540 1.00 0.00 N ATOM 863 CA ILE A 60 7.693 -8.099 2.144 1.00 0.00 C ATOM 864 C ILE A 60 7.193 -7.214 3.281 1.00 0.00 C ATOM 865 O ILE A 60 6.875 -6.042 3.075 1.00 0.00 O ATOM 866 CB ILE A 60 6.559 -9.045 1.709 1.00 0.00 C ATOM 867 CG1 ILE A 60 7.011 -9.909 0.529 1.00 0.00 C ATOM 868 CG2 ILE A 60 5.315 -8.249 1.343 1.00 0.00 C ATOM 869 CD1 ILE A 60 5.895 -10.725 -0.084 1.00 0.00 C ATOM 0 H ILE A 60 8.693 -9.733 2.995 1.00 0.00 H new ATOM 0 HA ILE A 60 7.978 -7.474 1.298 1.00 0.00 H new ATOM 0 HB ILE A 60 6.314 -9.702 2.544 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.443 -9.266 -0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.801 -10.582 0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.523 -8.932 1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.984 -7.673 2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.546 -7.571 0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 60 6.287 -11.312 -0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.478 -11.394 0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.114 -10.058 -0.449 1.00 0.00 H new ATOM 881 N ARG A 61 7.128 -7.782 4.481 1.00 0.00 N ATOM 882 CA ARG A 61 6.667 -7.044 5.651 1.00 0.00 C ATOM 883 C ARG A 61 7.518 -5.798 5.878 1.00 0.00 C ATOM 884 O ARG A 61 6.992 -4.712 6.118 1.00 0.00 O ATOM 885 CB ARG A 61 6.711 -7.937 6.892 1.00 0.00 C ATOM 886 CG ARG A 61 5.460 -8.780 7.080 1.00 0.00 C ATOM 887 CD ARG A 61 5.235 -9.125 8.544 1.00 0.00 C ATOM 888 NE ARG A 61 4.366 -10.288 8.706 1.00 0.00 N ATOM 889 CZ ARG A 61 4.158 -10.893 9.869 1.00 0.00 C ATOM 890 NH1 ARG A 61 4.752 -10.448 10.968 1.00 0.00 N ATOM 891 NH2 ARG A 61 3.353 -11.946 9.936 1.00 0.00 N ATOM 0 H ARG A 61 7.389 -8.750 4.668 1.00 0.00 H new ATOM 0 HA ARG A 61 5.638 -6.732 5.471 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.576 -8.596 6.824 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.854 -7.312 7.774 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.595 -8.240 6.695 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.547 -9.698 6.498 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.195 -9.321 9.022 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.794 -8.269 9.054 1.00 0.00 H new ATOM 0 HE ARG A 61 3.893 -10.655 7.880 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.371 -9.639 10.921 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.590 -10.915 11.860 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.893 -12.291 9.093 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.194 -12.410 10.830 1.00 0.00 H new ATOM 905 N GLU A 62 8.835 -5.964 5.801 1.00 0.00 N ATOM 906 CA GLU A 62 9.757 -4.853 5.999 1.00 0.00 C ATOM 907 C GLU A 62 9.355 -3.653 5.146 1.00 0.00 C ATOM 908 O GLU A 62 9.062 -2.577 5.667 1.00 0.00 O ATOM 909 CB GLU A 62 11.186 -5.280 5.657 1.00 0.00 C ATOM 910 CG GLU A 62 11.838 -6.137 6.728 1.00 0.00 C ATOM 911 CD GLU A 62 12.450 -5.312 7.843 1.00 0.00 C ATOM 912 OE1 GLU A 62 11.717 -4.514 8.462 1.00 0.00 O ATOM 913 OE2 GLU A 62 13.664 -5.466 8.097 1.00 0.00 O ATOM 0 H GLU A 62 9.286 -6.857 5.603 1.00 0.00 H new ATOM 0 HA GLU A 62 9.714 -4.561 7.048 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.176 -5.833 4.718 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.794 -4.389 5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.095 -6.814 7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.611 -6.755 6.272 1.00 0.00 H new ATOM 920 N GLY A 63 9.343 -3.846 3.831 1.00 0.00 N ATOM 921 CA GLY A 63 8.977 -2.772 2.926 1.00 0.00 C ATOM 922 C GLY A 63 7.632 -2.161 3.267 1.00 0.00 C ATOM 923 O GLY A 63 7.451 -0.947 3.170 1.00 0.00 O ATOM 0 H GLY A 63 9.580 -4.727 3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.743 -1.997 2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.951 -3.154 1.905 1.00 0.00 H new ATOM 927 N LEU A 64 6.685 -3.004 3.665 1.00 0.00 N ATOM 928 CA LEU A 64 5.348 -2.540 4.020 1.00 0.00 C ATOM 929 C LEU A 64 5.412 -1.483 5.118 1.00 0.00 C ATOM 930 O LEU A 64 4.450 -0.749 5.345 1.00 0.00 O ATOM 931 CB LEU A 64 4.484 -3.716 4.478 1.00 0.00 C ATOM 932 CG LEU A 64 3.754 -4.482 3.375 1.00 0.00 C ATOM 933 CD1 LEU A 64 3.226 -5.807 3.904 1.00 0.00 C ATOM 934 CD2 LEU A 64 2.619 -3.644 2.804 1.00 0.00 C ATOM 0 H LEU A 64 6.818 -4.012 3.750 1.00 0.00 H new ATOM 0 HA LEU A 64 4.899 -2.090 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.118 -4.417 5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.743 -3.343 5.185 1.00 0.00 H new ATOM 0 HG LEU A 64 4.464 -4.690 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.709 -6.338 3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.058 -6.413 4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.532 -5.621 4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.111 -4.206 2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.910 -3.404 3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.022 -2.722 2.386 1.00 0.00 H new ATOM 946 N LYS A 65 6.553 -1.409 5.795 1.00 0.00 N ATOM 947 CA LYS A 65 6.745 -0.440 6.867 1.00 0.00 C ATOM 948 C LYS A 65 7.230 0.896 6.313 1.00 0.00 C ATOM 949 O LYS A 65 6.980 1.950 6.898 1.00 0.00 O ATOM 950 CB LYS A 65 7.749 -0.974 7.892 1.00 0.00 C ATOM 951 CG LYS A 65 7.360 -2.319 8.480 1.00 0.00 C ATOM 952 CD LYS A 65 8.483 -2.907 9.318 1.00 0.00 C ATOM 953 CE LYS A 65 8.637 -2.170 10.640 1.00 0.00 C ATOM 954 NZ LYS A 65 10.014 -2.299 11.191 1.00 0.00 N ATOM 0 H LYS A 65 7.359 -2.009 5.620 1.00 0.00 H new ATOM 0 HA LYS A 65 5.784 -0.283 7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.727 -1.063 7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.851 -0.249 8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.468 -2.204 9.095 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.106 -3.009 7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.282 -3.961 9.509 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.419 -2.857 8.761 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.400 -1.116 10.497 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.920 -2.563 11.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.077 -1.783 12.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.231 -3.303 11.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.697 -1.901 10.515 1.00 0.00 H new ATOM 968 N HIS A 66 7.924 0.844 5.180 1.00 0.00 N ATOM 969 CA HIS A 66 8.443 2.050 4.545 1.00 0.00 C ATOM 970 C HIS A 66 7.518 2.514 3.424 1.00 0.00 C ATOM 971 O HIS A 66 7.922 3.282 2.550 1.00 0.00 O ATOM 972 CB HIS A 66 9.847 1.799 3.994 1.00 0.00 C ATOM 973 CG HIS A 66 10.825 1.345 5.033 1.00 0.00 C ATOM 974 ND1 HIS A 66 11.747 2.188 5.618 1.00 0.00 N ATOM 975 CD2 HIS A 66 11.022 0.128 5.593 1.00 0.00 C ATOM 976 CE1 HIS A 66 12.470 1.508 6.491 1.00 0.00 C ATOM 977 NE2 HIS A 66 12.049 0.256 6.495 1.00 0.00 N ATOM 0 H HIS A 66 8.140 -0.020 4.683 1.00 0.00 H new ATOM 0 HA HIS A 66 8.493 2.835 5.299 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.791 1.047 3.207 1.00 0.00 H new ATOM 0 HB3 HIS A 66 10.217 2.715 3.534 1.00 0.00 H new ATOM 0 HD2 HIS A 66 10.473 -0.775 5.371 1.00 0.00 H new ATOM 0 HE1 HIS A 66 13.269 1.908 7.098 1.00 0.00 H new ATOM 0 HE2 HIS A 66 12.426 -0.494 7.074 1.00 0.00 H new ATOM 986 N VAL A 67 6.276 2.042 3.454 1.00 0.00 N ATOM 987 CA VAL A 67 5.294 2.409 2.440 1.00 0.00 C ATOM 988 C VAL A 67 4.946 3.890 2.522 1.00 0.00 C ATOM 989 O VAL A 67 4.917 4.474 3.606 1.00 0.00 O ATOM 990 CB VAL A 67 4.004 1.580 2.583 1.00 0.00 C ATOM 991 CG1 VAL A 67 3.264 1.961 3.856 1.00 0.00 C ATOM 992 CG2 VAL A 67 3.114 1.766 1.364 1.00 0.00 C ATOM 0 H VAL A 67 5.926 1.405 4.169 1.00 0.00 H new ATOM 0 HA VAL A 67 5.746 2.199 1.471 1.00 0.00 H new ATOM 0 HB VAL A 67 4.275 0.526 2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.355 1.365 3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.903 1.772 4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.003 3.019 3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.207 1.173 1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.849 2.819 1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.647 1.440 0.471 1.00 0.00 H new ATOM 1002 N THR A 68 4.682 4.496 1.368 1.00 0.00 N ATOM 1003 CA THR A 68 4.336 5.910 1.309 1.00 0.00 C ATOM 1004 C THR A 68 2.887 6.104 0.879 1.00 0.00 C ATOM 1005 O THR A 68 2.550 7.096 0.233 1.00 0.00 O ATOM 1006 CB THR A 68 5.255 6.673 0.336 1.00 0.00 C ATOM 1007 OG1 THR A 68 5.004 6.250 -1.008 1.00 0.00 O ATOM 1008 CG2 THR A 68 6.719 6.442 0.681 1.00 0.00 C ATOM 0 H THR A 68 4.701 4.029 0.462 1.00 0.00 H new ATOM 0 HA THR A 68 4.470 6.310 2.314 1.00 0.00 H new ATOM 0 HB THR A 68 5.040 7.738 0.427 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.856 6.098 -1.468 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.349 6.991 -0.019 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.914 6.792 1.695 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.945 5.378 0.615 1.00 0.00 H new ATOM 1016 N GLU A 69 2.034 5.151 1.241 1.00 0.00 N ATOM 1017 CA GLU A 69 0.620 5.219 0.891 1.00 0.00 C ATOM 1018 C GLU A 69 -0.219 4.377 1.849 1.00 0.00 C ATOM 1019 O GLU A 69 -0.061 3.159 1.922 1.00 0.00 O ATOM 1020 CB GLU A 69 0.404 4.742 -0.547 1.00 0.00 C ATOM 1021 CG GLU A 69 0.777 3.286 -0.767 1.00 0.00 C ATOM 1022 CD GLU A 69 0.766 2.896 -2.233 1.00 0.00 C ATOM 1023 OE1 GLU A 69 -0.333 2.836 -2.822 1.00 0.00 O ATOM 1024 OE2 GLU A 69 1.857 2.651 -2.790 1.00 0.00 O ATOM 0 H GLU A 69 2.297 4.323 1.776 1.00 0.00 H new ATOM 0 HA GLU A 69 0.301 6.258 0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.643 4.885 -0.815 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.993 5.365 -1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.769 3.102 -0.353 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.081 2.650 -0.220 1.00 0.00 H new ATOM 1031 N ASP A 70 -1.110 5.037 2.581 1.00 0.00 N ATOM 1032 CA ASP A 70 -1.974 4.351 3.534 1.00 0.00 C ATOM 1033 C ASP A 70 -2.649 3.146 2.886 1.00 0.00 C ATOM 1034 O ASP A 70 -3.625 3.291 2.149 1.00 0.00 O ATOM 1035 CB ASP A 70 -3.031 5.311 4.080 1.00 0.00 C ATOM 1036 CG ASP A 70 -2.474 6.696 4.344 1.00 0.00 C ATOM 1037 OD1 ASP A 70 -2.284 7.456 3.371 1.00 0.00 O ATOM 1038 OD2 ASP A 70 -2.228 7.021 5.525 1.00 0.00 O ATOM 0 H ASP A 70 -1.253 6.046 2.532 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.355 3.998 4.359 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.854 5.383 3.369 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.443 4.906 5.004 1.00 0.00 H new ATOM 1043 N CYS A 71 -2.123 1.959 3.165 1.00 0.00 N ATOM 1044 CA CYS A 71 -2.674 0.728 2.607 1.00 0.00 C ATOM 1045 C CYS A 71 -2.947 -0.293 3.707 1.00 0.00 C ATOM 1046 O CYS A 71 -2.579 -0.088 4.864 1.00 0.00 O ATOM 1047 CB CYS A 71 -1.715 0.138 1.573 1.00 0.00 C ATOM 1048 SG CYS A 71 -0.195 -0.542 2.279 1.00 0.00 S ATOM 0 H CYS A 71 -1.316 1.822 3.774 1.00 0.00 H new ATOM 0 HA CYS A 71 -3.618 0.970 2.119 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -2.231 -0.649 1.022 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.453 0.913 0.852 1.00 0.00 H new ATOM 0 HG CYS A 71 0.253 -1.491 1.512 1.00 0.00 H new ATOM 1054 N VAL A 72 -3.595 -1.393 3.339 1.00 0.00 N ATOM 1055 CA VAL A 72 -3.918 -2.446 4.294 1.00 0.00 C ATOM 1056 C VAL A 72 -3.483 -3.812 3.774 1.00 0.00 C ATOM 1057 O VAL A 72 -4.122 -4.385 2.892 1.00 0.00 O ATOM 1058 CB VAL A 72 -5.427 -2.483 4.600 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -5.742 -3.581 5.604 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -5.900 -1.130 5.110 1.00 0.00 C ATOM 0 H VAL A 72 -3.907 -1.578 2.386 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.374 -2.219 5.211 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.962 -2.705 3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.813 -3.592 5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.441 -4.545 5.195 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.198 -3.394 6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.968 -1.174 5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.360 -0.876 6.022 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.711 -0.369 4.353 1.00 0.00 H new ATOM 1070 N PHE A 73 -2.390 -4.328 4.327 1.00 0.00 N ATOM 1071 CA PHE A 73 -1.868 -5.627 3.919 1.00 0.00 C ATOM 1072 C PHE A 73 -2.829 -6.747 4.309 1.00 0.00 C ATOM 1073 O PHE A 73 -3.596 -6.616 5.263 1.00 0.00 O ATOM 1074 CB PHE A 73 -0.498 -5.872 4.554 1.00 0.00 C ATOM 1075 CG PHE A 73 0.170 -7.128 4.073 1.00 0.00 C ATOM 1076 CD1 PHE A 73 0.881 -7.139 2.884 1.00 0.00 C ATOM 1077 CD2 PHE A 73 0.088 -8.299 4.811 1.00 0.00 C ATOM 1078 CE1 PHE A 73 1.496 -8.294 2.438 1.00 0.00 C ATOM 1079 CE2 PHE A 73 0.702 -9.457 4.370 1.00 0.00 C ATOM 1080 CZ PHE A 73 1.407 -9.454 3.183 1.00 0.00 C ATOM 0 H PHE A 73 -1.849 -3.867 5.058 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.763 -5.624 2.834 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.149 -5.021 4.341 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.612 -5.923 5.637 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.956 -6.235 2.299 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.462 -8.307 5.741 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.045 -8.289 1.508 1.00 0.00 H new ATOM 0 HE2 PHE A 73 0.630 -10.363 4.954 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.888 -10.357 2.837 1.00 0.00 H new ATOM 1090 N ILE A 74 -2.782 -7.845 3.563 1.00 0.00 N ATOM 1091 CA ILE A 74 -3.647 -8.987 3.830 1.00 0.00 C ATOM 1092 C ILE A 74 -2.922 -10.301 3.559 1.00 0.00 C ATOM 1093 O ILE A 74 -2.668 -10.656 2.408 1.00 0.00 O ATOM 1094 CB ILE A 74 -4.928 -8.935 2.976 1.00 0.00 C ATOM 1095 CG1 ILE A 74 -5.651 -7.603 3.184 1.00 0.00 C ATOM 1096 CG2 ILE A 74 -5.843 -10.100 3.322 1.00 0.00 C ATOM 1097 CD1 ILE A 74 -6.878 -7.439 2.313 1.00 0.00 C ATOM 0 H ILE A 74 -2.154 -7.968 2.769 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.920 -8.936 4.884 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.650 -9.016 1.925 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.944 -7.517 4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.958 -6.787 2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.744 -10.049 2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.325 -11.039 3.128 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.117 -10.047 4.376 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.340 -6.472 2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -6.589 -7.492 1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.590 -8.234 2.534 1.00 0.00 H new ATOM 1109 N TYR A 75 -2.594 -11.020 4.627 1.00 0.00 N ATOM 1110 CA TYR A 75 -1.898 -12.295 4.505 1.00 0.00 C ATOM 1111 C TYR A 75 -2.889 -13.442 4.327 1.00 0.00 C ATOM 1112 O TYR A 75 -3.330 -14.054 5.301 1.00 0.00 O ATOM 1113 CB TYR A 75 -1.029 -12.546 5.739 1.00 0.00 C ATOM 1114 CG TYR A 75 0.005 -13.631 5.541 1.00 0.00 C ATOM 1115 CD1 TYR A 75 -0.371 -14.965 5.440 1.00 0.00 C ATOM 1116 CD2 TYR A 75 1.357 -13.323 5.456 1.00 0.00 C ATOM 1117 CE1 TYR A 75 0.570 -15.960 5.260 1.00 0.00 C ATOM 1118 CE2 TYR A 75 2.305 -14.312 5.274 1.00 0.00 C ATOM 1119 CZ TYR A 75 1.907 -15.629 5.177 1.00 0.00 C ATOM 1120 OH TYR A 75 2.847 -16.617 4.998 1.00 0.00 O ATOM 0 H TYR A 75 -2.799 -10.741 5.587 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.260 -12.248 3.622 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.524 -11.620 6.012 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.672 -12.817 6.577 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.417 -15.228 5.503 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.673 -12.293 5.533 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.261 -16.992 5.185 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.352 -14.055 5.208 1.00 0.00 H new ATOM 0 HH TYR A 75 2.705 -17.050 4.131 1.00 0.00 H new ATOM 1130 N CYS A 76 -3.234 -13.727 3.076 1.00 0.00 N ATOM 1131 CA CYS A 76 -4.172 -14.800 2.768 1.00 0.00 C ATOM 1132 C CYS A 76 -3.433 -16.102 2.473 1.00 0.00 C ATOM 1133 O CYS A 76 -2.330 -16.089 1.928 1.00 0.00 O ATOM 1134 CB CYS A 76 -5.046 -14.414 1.574 1.00 0.00 C ATOM 1135 SG CYS A 76 -6.218 -15.696 1.072 1.00 0.00 S ATOM 0 H CYS A 76 -2.878 -13.230 2.259 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.808 -14.954 3.640 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -5.599 -13.508 1.820 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -4.402 -14.174 0.728 1.00 0.00 H new ATOM 0 HG CYS A 76 -7.342 -15.528 1.703 1.00 0.00 H new ATOM 1141 N GLN A 77 -4.048 -17.221 2.839 1.00 0.00 N ATOM 1142 CA GLN A 77 -3.447 -18.531 2.615 1.00 0.00 C ATOM 1143 C GLN A 77 -4.255 -19.335 1.602 1.00 0.00 C ATOM 1144 O GLN A 77 -5.426 -19.639 1.828 1.00 0.00 O ATOM 1145 CB GLN A 77 -3.347 -19.301 3.933 1.00 0.00 C ATOM 1146 CG GLN A 77 -2.513 -18.594 4.990 1.00 0.00 C ATOM 1147 CD GLN A 77 -2.960 -18.922 6.401 1.00 0.00 C ATOM 1148 OE1 GLN A 77 -2.575 -19.947 6.964 1.00 0.00 O ATOM 1149 NE2 GLN A 77 -3.777 -18.050 6.981 1.00 0.00 N ATOM 0 H GLN A 77 -4.962 -17.248 3.292 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.445 -18.380 2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.351 -19.466 4.325 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.915 -20.283 3.739 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.467 -18.875 4.870 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.574 -17.517 4.835 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.071 -17.213 6.477 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.111 -18.217 7.930 1.00 0.00 H new ATOM 1158 N VAL A 78 -3.621 -19.677 0.485 1.00 0.00 N ATOM 1159 CA VAL A 78 -4.281 -20.447 -0.563 1.00 0.00 C ATOM 1160 C VAL A 78 -5.042 -21.631 0.022 1.00 0.00 C ATOM 1161 O VAL A 78 -6.242 -21.784 -0.203 1.00 0.00 O ATOM 1162 CB VAL A 78 -3.268 -20.964 -1.602 1.00 0.00 C ATOM 1163 CG1 VAL A 78 -2.851 -19.845 -2.544 1.00 0.00 C ATOM 1164 CG2 VAL A 78 -2.056 -21.568 -0.909 1.00 0.00 C ATOM 0 H VAL A 78 -2.652 -19.433 0.282 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.984 -19.775 -1.055 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.747 -21.745 -2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.135 -20.229 -3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.728 -19.463 -3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.390 -19.040 -1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.351 -21.928 -1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.574 -20.810 -0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.373 -22.400 -0.280 1.00 0.00 H new ATOM 1174 N GLY A 79 -4.335 -22.469 0.775 1.00 0.00 N ATOM 1175 CA GLY A 79 -4.960 -23.630 1.381 1.00 0.00 C ATOM 1176 C GLY A 79 -3.948 -24.660 1.841 1.00 0.00 C ATOM 1177 O GLY A 79 -3.835 -24.939 3.034 1.00 0.00 O ATOM 0 H GLY A 79 -3.340 -22.364 0.976 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.562 -23.312 2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.640 -24.089 0.663 1.00 0.00 H new ATOM 1181 N ASP A 80 -3.211 -25.227 0.892 1.00 0.00 N ATOM 1182 CA ASP A 80 -2.203 -26.233 1.206 1.00 0.00 C ATOM 1183 C ASP A 80 -1.186 -26.354 0.076 1.00 0.00 C ATOM 1184 O ASP A 80 -1.310 -25.699 -0.959 1.00 0.00 O ATOM 1185 CB ASP A 80 -2.866 -27.587 1.461 1.00 0.00 C ATOM 1186 CG ASP A 80 -4.182 -27.458 2.201 1.00 0.00 C ATOM 1187 OD1 ASP A 80 -5.172 -27.018 1.579 1.00 0.00 O ATOM 1188 OD2 ASP A 80 -4.224 -27.798 3.402 1.00 0.00 O ATOM 0 H ASP A 80 -3.293 -25.007 -0.101 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.679 -25.919 2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.036 -28.090 0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.189 -28.217 2.038 1.00 0.00 H new ATOM 1193 N LYS A 81 -0.179 -27.197 0.281 1.00 0.00 N ATOM 1194 CA LYS A 81 0.860 -27.406 -0.720 1.00 0.00 C ATOM 1195 C LYS A 81 0.287 -28.065 -1.971 1.00 0.00 C ATOM 1196 O LYS A 81 0.370 -27.531 -3.077 1.00 0.00 O ATOM 1197 CB LYS A 81 1.985 -28.270 -0.145 1.00 0.00 C ATOM 1198 CG LYS A 81 2.673 -29.142 -1.182 1.00 0.00 C ATOM 1199 CD LYS A 81 4.042 -29.597 -0.707 1.00 0.00 C ATOM 1200 CE LYS A 81 4.985 -29.841 -1.876 1.00 0.00 C ATOM 1201 NZ LYS A 81 6.413 -29.721 -1.471 1.00 0.00 N ATOM 0 H LYS A 81 -0.061 -27.747 1.132 1.00 0.00 H new ATOM 0 HA LYS A 81 1.263 -26.432 -0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.727 -27.622 0.322 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.578 -28.907 0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.053 -30.013 -1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.776 -28.587 -2.115 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.468 -28.843 -0.046 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.940 -30.512 -0.123 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.806 -30.835 -2.286 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.771 -29.126 -2.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.023 -29.894 -2.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.590 -28.764 -1.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.624 -30.421 -0.731 1.00 0.00 H new ATOM 1215 N PRO A 82 -0.311 -29.253 -1.794 1.00 0.00 N ATOM 1216 CA PRO A 82 -0.911 -30.009 -2.896 1.00 0.00 C ATOM 1217 C PRO A 82 -2.173 -29.344 -3.435 1.00 0.00 C ATOM 1218 O PRO A 82 -2.576 -29.585 -4.574 1.00 0.00 O ATOM 1219 CB PRO A 82 -1.249 -31.359 -2.258 1.00 0.00 C ATOM 1220 CG PRO A 82 -1.410 -31.062 -0.807 1.00 0.00 C ATOM 1221 CD PRO A 82 -0.447 -29.948 -0.503 1.00 0.00 C ATOM 0 HA PRO A 82 -0.240 -30.083 -3.752 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.162 -31.779 -2.680 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.456 -32.087 -2.428 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.434 -30.765 -0.581 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.192 -31.942 -0.202 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.831 -29.285 0.272 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.511 -30.330 -0.149 1.00 0.00 H new ATOM 1229 N TYR A 83 -2.793 -28.507 -2.611 1.00 0.00 N ATOM 1230 CA TYR A 83 -4.011 -27.809 -3.005 1.00 0.00 C ATOM 1231 C TYR A 83 -3.695 -26.650 -3.946 1.00 0.00 C ATOM 1232 O TYR A 83 -4.473 -26.339 -4.848 1.00 0.00 O ATOM 1233 CB TYR A 83 -4.749 -27.289 -1.770 1.00 0.00 C ATOM 1234 CG TYR A 83 -5.755 -26.203 -2.077 1.00 0.00 C ATOM 1235 CD1 TYR A 83 -5.358 -24.878 -2.209 1.00 0.00 C ATOM 1236 CD2 TYR A 83 -7.102 -26.503 -2.236 1.00 0.00 C ATOM 1237 CE1 TYR A 83 -6.274 -23.883 -2.489 1.00 0.00 C ATOM 1238 CE2 TYR A 83 -8.025 -25.514 -2.518 1.00 0.00 C ATOM 1239 CZ TYR A 83 -7.606 -24.206 -2.642 1.00 0.00 C ATOM 1240 OH TYR A 83 -8.522 -23.217 -2.923 1.00 0.00 O ATOM 0 H TYR A 83 -2.472 -28.295 -1.666 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.650 -28.518 -3.531 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.261 -28.121 -1.287 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.020 -26.906 -1.056 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.316 -24.622 -2.091 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.433 -27.526 -2.138 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.949 -22.858 -2.588 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.069 -25.764 -2.641 1.00 0.00 H new ATOM 0 HH TYR A 83 -9.416 -23.611 -3.001 1.00 0.00 H new ATOM 1250 N TRP A 84 -2.548 -26.018 -3.730 1.00 0.00 N ATOM 1251 CA TRP A 84 -2.127 -24.894 -4.559 1.00 0.00 C ATOM 1252 C TRP A 84 -2.078 -25.291 -6.031 1.00 0.00 C ATOM 1253 O TRP A 84 -2.594 -24.580 -6.894 1.00 0.00 O ATOM 1254 CB TRP A 84 -0.755 -24.387 -4.110 1.00 0.00 C ATOM 1255 CG TRP A 84 -0.096 -23.490 -5.112 1.00 0.00 C ATOM 1256 CD1 TRP A 84 1.203 -23.545 -5.532 1.00 0.00 C ATOM 1257 CD2 TRP A 84 -0.702 -22.403 -5.820 1.00 0.00 C ATOM 1258 NE1 TRP A 84 1.440 -22.557 -6.457 1.00 0.00 N ATOM 1259 CE2 TRP A 84 0.287 -21.844 -6.652 1.00 0.00 C ATOM 1260 CE3 TRP A 84 -1.985 -21.849 -5.833 1.00 0.00 C ATOM 1261 CZ2 TRP A 84 0.032 -20.758 -7.486 1.00 0.00 C ATOM 1262 CZ3 TRP A 84 -2.237 -20.771 -6.660 1.00 0.00 C ATOM 1263 CH2 TRP A 84 -1.233 -20.236 -7.478 1.00 0.00 C ATOM 0 H TRP A 84 -1.892 -26.264 -2.988 1.00 0.00 H new ATOM 0 HA TRP A 84 -2.859 -24.095 -4.441 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.865 -23.849 -3.168 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.106 -25.241 -3.915 1.00 0.00 H new ATOM 0 HD1 TRP A 84 1.936 -24.260 -5.188 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.330 -22.383 -6.923 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.766 -22.256 -5.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 0.805 -20.343 -8.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -3.224 -20.334 -6.676 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.462 -19.395 -8.115 1.00 0.00 H new ATOM 1274 N LYS A 85 -1.456 -26.431 -6.311 1.00 0.00 N ATOM 1275 CA LYS A 85 -1.341 -26.924 -7.678 1.00 0.00 C ATOM 1276 C LYS A 85 -2.694 -26.899 -8.381 1.00 0.00 C ATOM 1277 O LYS A 85 -2.782 -26.584 -9.568 1.00 0.00 O ATOM 1278 CB LYS A 85 -0.777 -28.347 -7.684 1.00 0.00 C ATOM 1279 CG LYS A 85 0.624 -28.449 -7.106 1.00 0.00 C ATOM 1280 CD LYS A 85 0.981 -29.884 -6.760 1.00 0.00 C ATOM 1281 CE LYS A 85 2.111 -29.948 -5.743 1.00 0.00 C ATOM 1282 NZ LYS A 85 2.195 -31.283 -5.089 1.00 0.00 N ATOM 0 H LYS A 85 -1.024 -27.031 -5.609 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.659 -26.267 -8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.444 -28.995 -7.115 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.766 -28.720 -8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.344 -28.057 -7.824 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.696 -27.830 -6.212 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.103 -30.393 -6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.274 -30.415 -7.665 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.057 -29.726 -6.237 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.960 -29.181 -4.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.977 -31.285 -4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.302 -31.485 -4.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.365 -32.013 -5.810 1.00 0.00 H new ATOM 1296 N ASP A 86 -3.746 -27.232 -7.642 1.00 0.00 N ATOM 1297 CA ASP A 86 -5.096 -27.245 -8.193 1.00 0.00 C ATOM 1298 C ASP A 86 -5.303 -26.075 -9.149 1.00 0.00 C ATOM 1299 O ASP A 86 -5.541 -24.939 -8.737 1.00 0.00 O ATOM 1300 CB ASP A 86 -6.130 -27.191 -7.068 1.00 0.00 C ATOM 1301 CG ASP A 86 -5.839 -28.190 -5.966 1.00 0.00 C ATOM 1302 OD1 ASP A 86 -5.068 -29.139 -6.214 1.00 0.00 O ATOM 1303 OD2 ASP A 86 -6.384 -28.022 -4.854 1.00 0.00 O ATOM 0 H ASP A 86 -3.690 -27.497 -6.659 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.226 -28.173 -8.750 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.152 -26.186 -6.647 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.120 -27.386 -7.479 1.00 0.00 H new ATOM 1308 N PRO A 87 -5.211 -26.355 -10.458 1.00 0.00 N ATOM 1309 CA PRO A 87 -5.385 -25.338 -11.499 1.00 0.00 C ATOM 1310 C PRO A 87 -6.828 -24.857 -11.605 1.00 0.00 C ATOM 1311 O PRO A 87 -7.108 -23.839 -12.236 1.00 0.00 O ATOM 1312 CB PRO A 87 -4.970 -26.067 -12.780 1.00 0.00 C ATOM 1313 CG PRO A 87 -5.207 -27.509 -12.488 1.00 0.00 C ATOM 1314 CD PRO A 87 -4.930 -27.686 -11.021 1.00 0.00 C ATOM 0 HA PRO A 87 -4.801 -24.441 -11.293 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -5.560 -25.734 -13.634 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -3.924 -25.879 -13.022 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.232 -27.792 -12.729 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.552 -28.141 -13.088 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -5.569 -28.452 -10.581 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.899 -27.989 -10.840 1.00 0.00 H new ATOM 1322 N ASN A 88 -7.740 -25.596 -10.981 1.00 0.00 N ATOM 1323 CA ASN A 88 -9.155 -25.244 -11.005 1.00 0.00 C ATOM 1324 C ASN A 88 -9.551 -24.494 -9.736 1.00 0.00 C ATOM 1325 O ASN A 88 -10.703 -24.545 -9.308 1.00 0.00 O ATOM 1326 CB ASN A 88 -10.013 -26.502 -11.157 1.00 0.00 C ATOM 1327 CG ASN A 88 -9.753 -27.224 -12.465 1.00 0.00 C ATOM 1328 OD1 ASN A 88 -10.169 -26.769 -13.530 1.00 0.00 O ATOM 1329 ND2 ASN A 88 -9.063 -28.356 -12.388 1.00 0.00 N ATOM 0 H ASN A 88 -7.524 -26.442 -10.453 1.00 0.00 H new ATOM 0 HA ASN A 88 -9.327 -24.590 -11.860 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -9.812 -27.178 -10.326 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -11.067 -26.229 -11.099 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.858 -28.887 -13.235 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.738 -28.695 -11.482 1.00 0.00 H new ATOM 1336 N ASN A 89 -8.587 -23.800 -9.141 1.00 0.00 N ATOM 1337 CA ASN A 89 -8.834 -23.040 -7.921 1.00 0.00 C ATOM 1338 C ASN A 89 -9.409 -21.664 -8.245 1.00 0.00 C ATOM 1339 O ASN A 89 -9.198 -21.133 -9.335 1.00 0.00 O ATOM 1340 CB ASN A 89 -7.541 -22.889 -7.118 1.00 0.00 C ATOM 1341 CG ASN A 89 -7.298 -24.061 -6.187 1.00 0.00 C ATOM 1342 OD1 ASN A 89 -8.197 -24.863 -5.933 1.00 0.00 O ATOM 1343 ND2 ASN A 89 -6.078 -24.166 -5.674 1.00 0.00 N ATOM 0 H ASN A 89 -7.628 -23.748 -9.483 1.00 0.00 H new ATOM 0 HA ASN A 89 -9.563 -23.587 -7.323 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.700 -22.793 -7.804 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.584 -21.969 -6.536 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.855 -24.935 -5.042 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.364 -23.478 -5.912 1.00 0.00 H new ATOM 1350 N ASP A 90 -10.134 -21.092 -7.290 1.00 0.00 N ATOM 1351 CA ASP A 90 -10.738 -19.777 -7.471 1.00 0.00 C ATOM 1352 C ASP A 90 -9.666 -18.694 -7.553 1.00 0.00 C ATOM 1353 O ASP A 90 -9.926 -17.583 -8.016 1.00 0.00 O ATOM 1354 CB ASP A 90 -11.702 -19.472 -6.324 1.00 0.00 C ATOM 1355 CG ASP A 90 -12.930 -20.360 -6.349 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -13.831 -20.104 -7.174 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -12.991 -21.312 -5.542 1.00 0.00 O ATOM 0 H ASP A 90 -10.318 -21.519 -6.382 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.294 -19.786 -8.409 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -11.184 -19.600 -5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.011 -18.428 -6.380 1.00 0.00 H new ATOM 1362 N PHE A 91 -8.462 -19.025 -7.100 1.00 0.00 N ATOM 1363 CA PHE A 91 -7.351 -18.080 -7.121 1.00 0.00 C ATOM 1364 C PHE A 91 -6.815 -17.901 -8.538 1.00 0.00 C ATOM 1365 O PHE A 91 -6.689 -16.779 -9.028 1.00 0.00 O ATOM 1366 CB PHE A 91 -6.230 -18.558 -6.195 1.00 0.00 C ATOM 1367 CG PHE A 91 -6.610 -18.555 -4.742 1.00 0.00 C ATOM 1368 CD1 PHE A 91 -6.515 -17.394 -3.991 1.00 0.00 C ATOM 1369 CD2 PHE A 91 -7.061 -19.711 -4.128 1.00 0.00 C ATOM 1370 CE1 PHE A 91 -6.863 -17.389 -2.653 1.00 0.00 C ATOM 1371 CE2 PHE A 91 -7.411 -19.712 -2.790 1.00 0.00 C ATOM 1372 CZ PHE A 91 -7.312 -18.548 -2.053 1.00 0.00 C ATOM 0 H PHE A 91 -8.230 -19.940 -6.714 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.719 -17.117 -6.767 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.937 -19.567 -6.484 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.357 -17.920 -6.335 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.166 -16.484 -4.456 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.140 -20.623 -4.701 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.784 -16.479 -2.078 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.761 -20.621 -2.323 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.586 -18.545 -1.008 1.00 0.00 H new ATOM 1382 N ARG A 92 -6.501 -19.016 -9.190 1.00 0.00 N ATOM 1383 CA ARG A 92 -5.976 -18.983 -10.550 1.00 0.00 C ATOM 1384 C ARG A 92 -7.096 -18.747 -11.559 1.00 0.00 C ATOM 1385 O ARG A 92 -6.841 -18.444 -12.724 1.00 0.00 O ATOM 1386 CB ARG A 92 -5.252 -20.291 -10.872 1.00 0.00 C ATOM 1387 CG ARG A 92 -4.313 -20.754 -9.771 1.00 0.00 C ATOM 1388 CD ARG A 92 -4.059 -22.252 -9.847 1.00 0.00 C ATOM 1389 NE ARG A 92 -2.736 -22.609 -9.344 1.00 0.00 N ATOM 1390 CZ ARG A 92 -1.604 -22.297 -9.966 1.00 0.00 C ATOM 1391 NH1 ARG A 92 -1.635 -21.624 -11.108 1.00 0.00 N ATOM 1392 NH2 ARG A 92 -0.438 -22.658 -9.445 1.00 0.00 N ATOM 0 H ARG A 92 -6.601 -19.953 -8.799 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.268 -18.157 -10.619 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.992 -21.070 -11.058 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.684 -20.164 -11.793 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.367 -20.219 -9.850 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.740 -20.505 -8.799 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.820 -22.778 -9.271 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.155 -22.584 -10.881 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.677 -23.126 -8.467 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.529 -21.344 -11.511 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -0.765 -21.386 -11.583 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.410 -23.175 -8.566 1.00 0.00 H new ATOM 0 HH22 ARG A 92 0.430 -22.418 -9.923 1.00 0.00 H new ATOM 1406 N GLN A 93 -8.336 -18.889 -11.103 1.00 0.00 N ATOM 1407 CA GLN A 93 -9.495 -18.693 -11.966 1.00 0.00 C ATOM 1408 C GLN A 93 -10.044 -17.277 -11.827 1.00 0.00 C ATOM 1409 O GLN A 93 -10.500 -16.678 -12.801 1.00 0.00 O ATOM 1410 CB GLN A 93 -10.586 -19.711 -11.631 1.00 0.00 C ATOM 1411 CG GLN A 93 -10.140 -21.156 -11.791 1.00 0.00 C ATOM 1412 CD GLN A 93 -10.371 -21.686 -13.192 1.00 0.00 C ATOM 1413 OE1 GLN A 93 -11.498 -21.688 -13.689 1.00 0.00 O ATOM 1414 NE2 GLN A 93 -9.303 -22.140 -13.837 1.00 0.00 N ATOM 0 H GLN A 93 -8.564 -19.139 -10.141 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.176 -18.840 -12.998 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -10.916 -19.553 -10.604 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.448 -19.532 -12.274 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.081 -21.234 -11.547 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.678 -21.780 -11.077 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.388 -22.119 -13.387 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.397 -22.510 -14.783 1.00 0.00 H new ATOM 1423 N LYS A 94 -9.999 -16.747 -10.609 1.00 0.00 N ATOM 1424 CA LYS A 94 -10.491 -15.401 -10.341 1.00 0.00 C ATOM 1425 C LYS A 94 -9.335 -14.413 -10.225 1.00 0.00 C ATOM 1426 O LYS A 94 -9.321 -13.377 -10.891 1.00 0.00 O ATOM 1427 CB LYS A 94 -11.320 -15.386 -9.055 1.00 0.00 C ATOM 1428 CG LYS A 94 -12.361 -16.491 -8.990 1.00 0.00 C ATOM 1429 CD LYS A 94 -13.700 -16.030 -9.541 1.00 0.00 C ATOM 1430 CE LYS A 94 -13.829 -16.341 -11.024 1.00 0.00 C ATOM 1431 NZ LYS A 94 -15.241 -16.256 -11.487 1.00 0.00 N ATOM 0 H LYS A 94 -9.626 -17.230 -9.791 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.122 -15.098 -11.176 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.650 -15.478 -8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.820 -14.421 -8.966 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.012 -17.355 -9.556 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -12.484 -16.816 -7.957 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.507 -16.518 -8.994 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.810 -14.957 -9.382 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.217 -15.644 -11.596 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.442 -17.341 -11.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.287 -16.475 -12.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.821 -16.939 -10.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.603 -15.295 -11.323 1.00 0.00 H new ATOM 1445 N LEU A 95 -8.366 -14.739 -9.377 1.00 0.00 N ATOM 1446 CA LEU A 95 -7.205 -13.881 -9.175 1.00 0.00 C ATOM 1447 C LEU A 95 -6.118 -14.183 -10.201 1.00 0.00 C ATOM 1448 O LEU A 95 -5.064 -13.547 -10.213 1.00 0.00 O ATOM 1449 CB LEU A 95 -6.651 -14.063 -7.760 1.00 0.00 C ATOM 1450 CG LEU A 95 -7.619 -13.761 -6.616 1.00 0.00 C ATOM 1451 CD1 LEU A 95 -7.057 -14.263 -5.295 1.00 0.00 C ATOM 1452 CD2 LEU A 95 -7.910 -12.269 -6.543 1.00 0.00 C ATOM 0 H LEU A 95 -8.362 -15.592 -8.818 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.523 -12.846 -9.304 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.307 -15.092 -7.656 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -5.777 -13.422 -7.648 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.556 -14.284 -6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -7.760 -14.039 -4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.902 -15.340 -5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.106 -13.770 -5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.601 -12.073 -5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.981 -11.725 -6.373 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.357 -11.939 -7.481 1.00 0.00 H new ATOM 1464 N LYS A 96 -6.383 -15.158 -11.065 1.00 0.00 N ATOM 1465 CA LYS A 96 -5.430 -15.544 -12.099 1.00 0.00 C ATOM 1466 C LYS A 96 -3.998 -15.455 -11.580 1.00 0.00 C ATOM 1467 O LYS A 96 -3.126 -14.884 -12.235 1.00 0.00 O ATOM 1468 CB LYS A 96 -5.594 -14.652 -13.331 1.00 0.00 C ATOM 1469 CG LYS A 96 -6.629 -15.163 -14.318 1.00 0.00 C ATOM 1470 CD LYS A 96 -8.021 -14.659 -13.977 1.00 0.00 C ATOM 1471 CE LYS A 96 -8.314 -13.329 -14.655 1.00 0.00 C ATOM 1472 NZ LYS A 96 -8.505 -13.484 -16.123 1.00 0.00 N ATOM 0 H LYS A 96 -7.250 -15.695 -11.069 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.633 -16.578 -12.377 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.875 -13.650 -13.009 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.633 -14.566 -13.837 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.362 -14.843 -15.325 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.626 -16.253 -14.318 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.762 -15.397 -14.285 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.114 -14.546 -12.897 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.209 -12.888 -14.217 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.493 -12.637 -14.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.992 -12.646 -16.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.579 -13.584 -16.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.078 -14.331 -16.311 1.00 0.00 H new ATOM 1486 N ILE A 97 -3.764 -16.023 -10.402 1.00 0.00 N ATOM 1487 CA ILE A 97 -2.437 -16.009 -9.799 1.00 0.00 C ATOM 1488 C ILE A 97 -1.425 -16.734 -10.679 1.00 0.00 C ATOM 1489 O ILE A 97 -1.777 -17.644 -11.430 1.00 0.00 O ATOM 1490 CB ILE A 97 -2.447 -16.660 -8.403 1.00 0.00 C ATOM 1491 CG1 ILE A 97 -3.481 -15.979 -7.505 1.00 0.00 C ATOM 1492 CG2 ILE A 97 -1.063 -16.588 -7.775 1.00 0.00 C ATOM 1493 CD1 ILE A 97 -3.102 -14.569 -7.110 1.00 0.00 C ATOM 0 H ILE A 97 -4.475 -16.498 -9.847 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.145 -14.963 -9.702 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.722 -17.709 -8.510 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -4.441 -15.958 -8.021 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.617 -16.576 -6.603 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.086 -17.052 -6.789 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.349 -17.115 -8.407 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.761 -15.545 -7.678 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.880 -14.148 -6.474 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -2.158 -14.585 -6.566 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.994 -13.957 -8.005 1.00 0.00 H new ATOM 1505 N THR A 98 -0.163 -16.327 -10.579 1.00 0.00 N ATOM 1506 CA THR A 98 0.901 -16.938 -11.365 1.00 0.00 C ATOM 1507 C THR A 98 1.660 -17.979 -10.549 1.00 0.00 C ATOM 1508 O THR A 98 1.635 -19.168 -10.866 1.00 0.00 O ATOM 1509 CB THR A 98 1.897 -15.881 -11.880 1.00 0.00 C ATOM 1510 OG1 THR A 98 1.202 -14.876 -12.626 1.00 0.00 O ATOM 1511 CG2 THR A 98 2.963 -16.523 -12.755 1.00 0.00 C ATOM 0 H THR A 98 0.147 -15.577 -9.961 1.00 0.00 H new ATOM 0 HA THR A 98 0.425 -17.424 -12.217 1.00 0.00 H new ATOM 0 HB THR A 98 2.384 -15.422 -11.019 1.00 0.00 H new ATOM 0 HG1 THR A 98 1.842 -14.207 -12.948 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.655 -15.757 -13.107 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.510 -17.267 -12.176 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.490 -17.005 -13.610 1.00 0.00 H new ATOM 1519 N ALA A 99 2.332 -17.524 -9.497 1.00 0.00 N ATOM 1520 CA ALA A 99 3.095 -18.417 -8.634 1.00 0.00 C ATOM 1521 C ALA A 99 3.272 -17.817 -7.243 1.00 0.00 C ATOM 1522 O ALA A 99 3.767 -16.699 -7.096 1.00 0.00 O ATOM 1523 CB ALA A 99 4.449 -18.722 -9.255 1.00 0.00 C ATOM 0 H ALA A 99 2.364 -16.542 -9.222 1.00 0.00 H new ATOM 0 HA ALA A 99 2.537 -19.348 -8.532 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.008 -19.390 -8.599 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.305 -19.201 -10.224 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.006 -17.794 -9.388 1.00 0.00 H new ATOM 1529 N VAL A 100 2.864 -18.566 -6.224 1.00 0.00 N ATOM 1530 CA VAL A 100 2.978 -18.109 -4.844 1.00 0.00 C ATOM 1531 C VAL A 100 4.397 -18.296 -4.319 1.00 0.00 C ATOM 1532 O VAL A 100 5.115 -19.215 -4.712 1.00 0.00 O ATOM 1533 CB VAL A 100 1.998 -18.857 -3.921 1.00 0.00 C ATOM 1534 CG1 VAL A 100 0.604 -18.882 -4.531 1.00 0.00 C ATOM 1535 CG2 VAL A 100 2.495 -20.268 -3.649 1.00 0.00 C ATOM 0 H VAL A 100 2.451 -19.493 -6.328 1.00 0.00 H new ATOM 0 HA VAL A 100 2.729 -17.048 -4.841 1.00 0.00 H new ATOM 0 HB VAL A 100 1.943 -18.326 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.075 -19.415 -3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.249 -17.861 -4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.638 -19.389 -5.495 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.791 -20.782 -2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.580 -20.812 -4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.471 -20.223 -3.167 1.00 0.00 H new ATOM 1545 N PRO A 101 4.812 -17.404 -3.407 1.00 0.00 N ATOM 1546 CA PRO A 101 3.967 -16.305 -2.931 1.00 0.00 C ATOM 1547 C PRO A 101 3.734 -15.247 -4.004 1.00 0.00 C ATOM 1548 O PRO A 101 4.632 -14.932 -4.786 1.00 0.00 O ATOM 1549 CB PRO A 101 4.768 -15.719 -1.766 1.00 0.00 C ATOM 1550 CG PRO A 101 6.184 -16.072 -2.065 1.00 0.00 C ATOM 1551 CD PRO A 101 6.140 -17.400 -2.770 1.00 0.00 C ATOM 0 HA PRO A 101 2.971 -16.649 -2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.635 -14.639 -1.698 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.447 -16.141 -0.813 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.651 -15.313 -2.692 1.00 0.00 H new ATOM 0 HG3 PRO A 101 6.772 -16.136 -1.149 1.00 0.00 H new ATOM 0 HD2 PRO A 101 6.939 -17.491 -3.506 1.00 0.00 H new ATOM 0 HD3 PRO A 101 6.253 -18.230 -2.072 1.00 0.00 H new ATOM 1559 N THR A 102 2.523 -14.699 -4.035 1.00 0.00 N ATOM 1560 CA THR A 102 2.172 -13.676 -5.012 1.00 0.00 C ATOM 1561 C THR A 102 1.585 -12.445 -4.332 1.00 0.00 C ATOM 1562 O THR A 102 0.463 -12.479 -3.824 1.00 0.00 O ATOM 1563 CB THR A 102 1.161 -14.209 -6.046 1.00 0.00 C ATOM 1564 OG1 THR A 102 1.553 -15.514 -6.486 1.00 0.00 O ATOM 1565 CG2 THR A 102 1.065 -13.273 -7.241 1.00 0.00 C ATOM 0 H THR A 102 1.769 -14.947 -3.394 1.00 0.00 H new ATOM 0 HA THR A 102 3.093 -13.400 -5.525 1.00 0.00 H new ATOM 0 HB THR A 102 0.182 -14.265 -5.569 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.513 -15.518 -6.682 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.346 -13.670 -7.957 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.739 -12.288 -6.907 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.042 -13.189 -7.717 1.00 0.00 H new ATOM 1573 N LEU A 103 2.348 -11.357 -4.327 1.00 0.00 N ATOM 1574 CA LEU A 103 1.902 -10.113 -3.710 1.00 0.00 C ATOM 1575 C LEU A 103 1.242 -9.200 -4.739 1.00 0.00 C ATOM 1576 O LEU A 103 1.922 -8.490 -5.481 1.00 0.00 O ATOM 1577 CB LEU A 103 3.083 -9.394 -3.056 1.00 0.00 C ATOM 1578 CG LEU A 103 2.746 -8.123 -2.275 1.00 0.00 C ATOM 1579 CD1 LEU A 103 2.075 -8.470 -0.956 1.00 0.00 C ATOM 1580 CD2 LEU A 103 4.001 -7.295 -2.036 1.00 0.00 C ATOM 0 H LEU A 103 3.278 -11.311 -4.743 1.00 0.00 H new ATOM 0 HA LEU A 103 1.165 -10.359 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.578 -10.091 -2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.803 -9.139 -3.834 1.00 0.00 H new ATOM 0 HG LEU A 103 2.051 -7.529 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.842 -7.553 -0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.154 -9.020 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.746 -9.085 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.742 -6.395 -1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 103 4.720 -7.881 -1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.440 -7.016 -2.994 1.00 0.00 H new ATOM 1592 N LEU A 104 -0.085 -9.223 -4.776 1.00 0.00 N ATOM 1593 CA LEU A 104 -0.838 -8.396 -5.713 1.00 0.00 C ATOM 1594 C LEU A 104 -1.286 -7.096 -5.052 1.00 0.00 C ATOM 1595 O LEU A 104 -1.894 -7.108 -3.982 1.00 0.00 O ATOM 1596 CB LEU A 104 -2.055 -9.161 -6.236 1.00 0.00 C ATOM 1597 CG LEU A 104 -3.140 -8.319 -6.907 1.00 0.00 C ATOM 1598 CD1 LEU A 104 -2.604 -7.666 -8.171 1.00 0.00 C ATOM 1599 CD2 LEU A 104 -4.360 -9.173 -7.222 1.00 0.00 C ATOM 0 H LEU A 104 -0.662 -9.805 -4.169 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.184 -8.151 -6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.710 -9.908 -6.950 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.505 -9.701 -5.403 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.441 -7.532 -6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.391 -7.071 -8.635 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.762 -7.021 -7.919 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.274 -8.437 -8.867 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.122 -8.557 -7.699 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.074 -9.982 -7.894 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.759 -9.593 -6.298 1.00 0.00 H new ATOM 1611 N LYS A 105 -0.984 -5.975 -5.699 1.00 0.00 N ATOM 1612 CA LYS A 105 -1.357 -4.666 -5.177 1.00 0.00 C ATOM 1613 C LYS A 105 -2.748 -4.265 -5.660 1.00 0.00 C ATOM 1614 O LYS A 105 -2.893 -3.616 -6.696 1.00 0.00 O ATOM 1615 CB LYS A 105 -0.334 -3.612 -5.606 1.00 0.00 C ATOM 1616 CG LYS A 105 -0.607 -2.231 -5.036 1.00 0.00 C ATOM 1617 CD LYS A 105 0.520 -1.263 -5.353 1.00 0.00 C ATOM 1618 CE LYS A 105 0.164 0.159 -4.948 1.00 0.00 C ATOM 1619 NZ LYS A 105 -0.909 0.729 -5.809 1.00 0.00 N ATOM 0 H LYS A 105 -0.482 -5.947 -6.586 1.00 0.00 H new ATOM 0 HA LYS A 105 -1.372 -4.727 -4.089 1.00 0.00 H new ATOM 0 HB2 LYS A 105 0.660 -3.934 -5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -0.323 -3.551 -6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.542 -1.847 -5.443 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -0.734 -2.301 -3.956 1.00 0.00 H new ATOM 0 HD2 LYS A 105 1.426 -1.575 -4.833 1.00 0.00 H new ATOM 0 HD3 LYS A 105 0.739 -1.294 -6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.161 0.170 -3.908 1.00 0.00 H new ATOM 0 HE3 LYS A 105 1.052 0.788 -5.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -0.638 1.686 -6.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.042 0.124 -6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -1.798 0.776 -5.271 1.00 0.00 H new ATOM 1633 N TYR A 106 -3.767 -4.653 -4.901 1.00 0.00 N ATOM 1634 CA TYR A 106 -5.146 -4.335 -5.253 1.00 0.00 C ATOM 1635 C TYR A 106 -5.273 -2.880 -5.695 1.00 0.00 C ATOM 1636 O TYR A 106 -5.128 -1.960 -4.891 1.00 0.00 O ATOM 1637 CB TYR A 106 -6.071 -4.601 -4.064 1.00 0.00 C ATOM 1638 CG TYR A 106 -7.459 -5.047 -4.466 1.00 0.00 C ATOM 1639 CD1 TYR A 106 -7.644 -6.014 -5.446 1.00 0.00 C ATOM 1640 CD2 TYR A 106 -8.587 -4.500 -3.865 1.00 0.00 C ATOM 1641 CE1 TYR A 106 -8.910 -6.423 -5.816 1.00 0.00 C ATOM 1642 CE2 TYR A 106 -9.857 -4.904 -4.228 1.00 0.00 C ATOM 1643 CZ TYR A 106 -10.013 -5.865 -5.204 1.00 0.00 C ATOM 1644 OH TYR A 106 -11.277 -6.271 -5.570 1.00 0.00 O ATOM 0 H TYR A 106 -3.664 -5.188 -4.039 1.00 0.00 H new ATOM 0 HA TYR A 106 -5.440 -4.976 -6.085 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -5.622 -5.365 -3.429 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -6.149 -3.694 -3.465 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -6.783 -6.454 -5.927 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.468 -3.746 -3.101 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -9.036 -7.176 -6.580 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.723 -4.470 -3.750 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.943 -5.782 -5.043 1.00 0.00 H new ATOM 1654 N GLY A 107 -5.547 -2.681 -6.980 1.00 0.00 N ATOM 1655 CA GLY A 107 -5.691 -1.337 -7.509 1.00 0.00 C ATOM 1656 C GLY A 107 -4.809 -1.091 -8.717 1.00 0.00 C ATOM 1657 O GLY A 107 -5.084 -0.205 -9.527 1.00 0.00 O ATOM 0 H GLY A 107 -5.672 -3.427 -7.665 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.732 -1.167 -7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -5.445 -0.615 -6.730 1.00 0.00 H new ATOM 1661 N THR A 108 -3.743 -1.877 -8.839 1.00 0.00 N ATOM 1662 CA THR A 108 -2.816 -1.739 -9.956 1.00 0.00 C ATOM 1663 C THR A 108 -2.328 -3.101 -10.436 1.00 0.00 C ATOM 1664 O THR A 108 -2.200 -4.050 -9.662 1.00 0.00 O ATOM 1665 CB THR A 108 -1.600 -0.876 -9.572 1.00 0.00 C ATOM 1666 OG1 THR A 108 -0.850 -1.520 -8.535 1.00 0.00 O ATOM 1667 CG2 THR A 108 -2.040 0.503 -9.105 1.00 0.00 C ATOM 0 H THR A 108 -3.501 -2.615 -8.178 1.00 0.00 H new ATOM 0 HA THR A 108 -3.361 -1.247 -10.762 1.00 0.00 H new ATOM 0 HB THR A 108 -0.972 -0.759 -10.455 1.00 0.00 H new ATOM 0 HG1 THR A 108 0.060 -1.157 -8.516 1.00 0.00 H new ATOM 0 HG21 THR A 108 -1.164 1.094 -8.839 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.585 1.002 -9.907 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.688 0.403 -8.234 1.00 0.00 H new ATOM 1675 N PRO A 109 -2.047 -3.202 -11.744 1.00 0.00 N ATOM 1676 CA PRO A 109 -1.566 -4.444 -12.356 1.00 0.00 C ATOM 1677 C PRO A 109 -0.146 -4.792 -11.924 1.00 0.00 C ATOM 1678 O PRO A 109 0.431 -5.774 -12.390 1.00 0.00 O ATOM 1679 CB PRO A 109 -1.609 -4.140 -13.856 1.00 0.00 C ATOM 1680 CG PRO A 109 -1.488 -2.658 -13.945 1.00 0.00 C ATOM 1681 CD PRO A 109 -2.176 -2.112 -12.725 1.00 0.00 C ATOM 0 HA PRO A 109 -2.170 -5.303 -12.063 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -0.795 -4.636 -14.384 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -2.539 -4.489 -14.304 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -0.442 -2.353 -13.972 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -1.953 -2.283 -14.856 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -1.702 -1.196 -12.372 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.220 -1.874 -12.926 1.00 0.00 H new ATOM 1689 N GLN A 110 0.411 -3.982 -11.030 1.00 0.00 N ATOM 1690 CA GLN A 110 1.764 -4.205 -10.536 1.00 0.00 C ATOM 1691 C GLN A 110 1.758 -5.151 -9.339 1.00 0.00 C ATOM 1692 O GLN A 110 1.206 -4.832 -8.285 1.00 0.00 O ATOM 1693 CB GLN A 110 2.414 -2.876 -10.146 1.00 0.00 C ATOM 1694 CG GLN A 110 3.124 -2.185 -11.299 1.00 0.00 C ATOM 1695 CD GLN A 110 4.298 -1.343 -10.841 1.00 0.00 C ATOM 1696 OE1 GLN A 110 5.411 -1.480 -11.349 1.00 0.00 O ATOM 1697 NE2 GLN A 110 4.056 -0.464 -9.876 1.00 0.00 N ATOM 0 H GLN A 110 -0.054 -3.165 -10.633 1.00 0.00 H new ATOM 0 HA GLN A 110 2.344 -4.664 -11.337 1.00 0.00 H new ATOM 0 HB2 GLN A 110 1.648 -2.209 -9.750 1.00 0.00 H new ATOM 0 HB3 GLN A 110 3.130 -3.053 -9.343 1.00 0.00 H new ATOM 0 HG2 GLN A 110 3.475 -2.936 -12.007 1.00 0.00 H new ATOM 0 HG3 GLN A 110 2.414 -1.552 -11.831 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.118 -0.383 -9.483 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.808 0.131 -9.528 1.00 0.00 H new ATOM 1706 N LYS A 111 2.374 -6.316 -9.509 1.00 0.00 N ATOM 1707 CA LYS A 111 2.440 -7.309 -8.443 1.00 0.00 C ATOM 1708 C LYS A 111 3.855 -7.862 -8.303 1.00 0.00 C ATOM 1709 O LYS A 111 4.741 -7.536 -9.094 1.00 0.00 O ATOM 1710 CB LYS A 111 1.460 -8.450 -8.720 1.00 0.00 C ATOM 1711 CG LYS A 111 1.398 -8.858 -10.182 1.00 0.00 C ATOM 1712 CD LYS A 111 2.334 -10.018 -10.477 1.00 0.00 C ATOM 1713 CE LYS A 111 3.640 -9.538 -11.091 1.00 0.00 C ATOM 1714 NZ LYS A 111 3.601 -9.579 -12.580 1.00 0.00 N ATOM 0 H LYS A 111 2.835 -6.596 -10.375 1.00 0.00 H new ATOM 0 HA LYS A 111 2.165 -6.821 -7.508 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.745 -9.316 -8.122 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.464 -8.150 -8.393 1.00 0.00 H new ATOM 0 HG2 LYS A 111 0.377 -9.139 -10.439 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.662 -8.007 -10.810 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.542 -10.562 -9.556 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.846 -10.717 -11.157 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.844 -8.519 -10.761 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.460 -10.160 -10.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 4.509 -9.244 -12.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.432 -10.555 -12.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.835 -8.966 -12.924 1.00 0.00 H new ATOM 1728 N LEU A 112 4.059 -8.701 -7.293 1.00 0.00 N ATOM 1729 CA LEU A 112 5.366 -9.302 -7.051 1.00 0.00 C ATOM 1730 C LEU A 112 5.246 -10.810 -6.861 1.00 0.00 C ATOM 1731 O LEU A 112 4.487 -11.281 -6.013 1.00 0.00 O ATOM 1732 CB LEU A 112 6.018 -8.672 -5.818 1.00 0.00 C ATOM 1733 CG LEU A 112 6.159 -7.149 -5.838 1.00 0.00 C ATOM 1734 CD1 LEU A 112 6.622 -6.639 -4.482 1.00 0.00 C ATOM 1735 CD2 LEU A 112 7.126 -6.718 -6.931 1.00 0.00 C ATOM 0 H LEU A 112 3.337 -8.980 -6.629 1.00 0.00 H new ATOM 0 HA LEU A 112 5.992 -9.113 -7.923 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.435 -8.951 -4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.010 -9.107 -5.694 1.00 0.00 H new ATOM 0 HG LEU A 112 5.183 -6.715 -6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.717 -5.554 -4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.893 -6.917 -3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 112 7.588 -7.081 -4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.214 -5.632 -6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 112 8.104 -7.162 -6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 112 6.753 -7.052 -7.899 1.00 0.00 H new ATOM 1747 N VAL A 113 6.000 -11.564 -7.655 1.00 0.00 N ATOM 1748 CA VAL A 113 5.981 -13.019 -7.572 1.00 0.00 C ATOM 1749 C VAL A 113 7.057 -13.530 -6.621 1.00 0.00 C ATOM 1750 O VAL A 113 7.861 -12.755 -6.104 1.00 0.00 O ATOM 1751 CB VAL A 113 6.187 -13.663 -8.956 1.00 0.00 C ATOM 1752 CG1 VAL A 113 5.481 -15.008 -9.031 1.00 0.00 C ATOM 1753 CG2 VAL A 113 5.696 -12.732 -10.055 1.00 0.00 C ATOM 0 H VAL A 113 6.632 -11.190 -8.363 1.00 0.00 H new ATOM 0 HA VAL A 113 5.000 -13.301 -7.190 1.00 0.00 H new ATOM 0 HB VAL A 113 7.254 -13.832 -9.103 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.638 -15.447 -10.016 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.885 -15.674 -8.268 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.413 -14.868 -8.862 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.849 -13.203 -11.026 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.634 -12.530 -9.913 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.252 -11.796 -10.014 1.00 0.00 H new ATOM 1763 N GLU A 114 7.066 -14.840 -6.395 1.00 0.00 N ATOM 1764 CA GLU A 114 8.044 -15.455 -5.505 1.00 0.00 C ATOM 1765 C GLU A 114 9.370 -14.701 -5.551 1.00 0.00 C ATOM 1766 O GLU A 114 9.849 -14.204 -4.532 1.00 0.00 O ATOM 1767 CB GLU A 114 8.265 -16.920 -5.887 1.00 0.00 C ATOM 1768 CG GLU A 114 6.980 -17.665 -6.210 1.00 0.00 C ATOM 1769 CD GLU A 114 7.166 -19.169 -6.226 1.00 0.00 C ATOM 1770 OE1 GLU A 114 7.803 -19.699 -5.292 1.00 0.00 O ATOM 1771 OE2 GLU A 114 6.675 -19.817 -7.174 1.00 0.00 O ATOM 0 H GLU A 114 6.407 -15.496 -6.816 1.00 0.00 H new ATOM 0 HA GLU A 114 7.653 -15.407 -4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 114 8.928 -16.966 -6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 114 8.773 -17.428 -5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.219 -17.405 -5.474 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.609 -17.338 -7.182 1.00 0.00 H new ATOM 1778 N SER A 115 9.958 -14.621 -6.740 1.00 0.00 N ATOM 1779 CA SER A 115 11.231 -13.932 -6.919 1.00 0.00 C ATOM 1780 C SER A 115 11.125 -12.474 -6.485 1.00 0.00 C ATOM 1781 O SER A 115 11.942 -11.986 -5.705 1.00 0.00 O ATOM 1782 CB SER A 115 11.676 -14.010 -8.381 1.00 0.00 C ATOM 1783 OG SER A 115 13.089 -13.979 -8.486 1.00 0.00 O ATOM 0 H SER A 115 9.573 -15.025 -7.594 1.00 0.00 H new ATOM 0 HA SER A 115 11.975 -14.426 -6.293 1.00 0.00 H new ATOM 0 HB2 SER A 115 11.295 -14.926 -8.832 1.00 0.00 H new ATOM 0 HB3 SER A 115 11.248 -13.177 -8.940 1.00 0.00 H new ATOM 0 HG SER A 115 13.348 -14.032 -9.430 1.00 0.00 H new ATOM 1789 N GLU A 116 10.111 -11.783 -6.997 1.00 0.00 N ATOM 1790 CA GLU A 116 9.898 -10.379 -6.664 1.00 0.00 C ATOM 1791 C GLU A 116 9.351 -10.234 -5.247 1.00 0.00 C ATOM 1792 O GLU A 116 9.106 -9.123 -4.775 1.00 0.00 O ATOM 1793 CB GLU A 116 8.935 -9.735 -7.663 1.00 0.00 C ATOM 1794 CG GLU A 116 9.275 -10.030 -9.114 1.00 0.00 C ATOM 1795 CD GLU A 116 8.532 -9.130 -10.082 1.00 0.00 C ATOM 1796 OE1 GLU A 116 8.976 -7.980 -10.281 1.00 0.00 O ATOM 1797 OE2 GLU A 116 7.508 -9.575 -10.641 1.00 0.00 O ATOM 0 H GLU A 116 9.425 -12.172 -7.643 1.00 0.00 H new ATOM 0 HA GLU A 116 10.860 -9.869 -6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 116 7.924 -10.086 -7.457 1.00 0.00 H new ATOM 0 HB3 GLU A 116 8.935 -8.656 -7.511 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.348 -9.910 -9.263 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.036 -11.070 -9.335 1.00 0.00 H new ATOM 1804 N CYS A 117 9.162 -11.363 -4.573 1.00 0.00 N ATOM 1805 CA CYS A 117 8.643 -11.363 -3.210 1.00 0.00 C ATOM 1806 C CYS A 117 9.779 -11.438 -2.195 1.00 0.00 C ATOM 1807 O CYS A 117 9.609 -11.079 -1.030 1.00 0.00 O ATOM 1808 CB CYS A 117 7.683 -12.536 -3.008 1.00 0.00 C ATOM 1809 SG CYS A 117 6.115 -12.368 -3.891 1.00 0.00 S ATOM 0 H CYS A 117 9.360 -12.290 -4.948 1.00 0.00 H new ATOM 0 HA CYS A 117 8.102 -10.430 -3.053 1.00 0.00 H new ATOM 0 HB2 CYS A 117 8.174 -13.453 -3.333 1.00 0.00 H new ATOM 0 HB3 CYS A 117 7.478 -12.644 -1.943 1.00 0.00 H new ATOM 0 HG CYS A 117 5.652 -13.548 -4.181 1.00 0.00 H new ATOM 1815 N CYS A 118 10.937 -11.909 -2.646 1.00 0.00 N ATOM 1816 CA CYS A 118 12.101 -12.035 -1.776 1.00 0.00 C ATOM 1817 C CYS A 118 13.103 -10.916 -2.044 1.00 0.00 C ATOM 1818 O CYS A 118 14.128 -10.814 -1.370 1.00 0.00 O ATOM 1819 CB CYS A 118 12.771 -13.395 -1.979 1.00 0.00 C ATOM 1820 SG CYS A 118 14.306 -13.608 -1.048 1.00 0.00 S ATOM 0 H CYS A 118 11.094 -12.210 -3.608 1.00 0.00 H new ATOM 0 HA CYS A 118 11.762 -11.956 -0.743 1.00 0.00 H new ATOM 0 HB2 CYS A 118 12.072 -14.179 -1.690 1.00 0.00 H new ATOM 0 HB3 CYS A 118 12.981 -13.530 -3.040 1.00 0.00 H new ATOM 0 HG CYS A 118 14.808 -12.442 -0.766 1.00 0.00 H new ATOM 1826 N GLN A 119 12.800 -10.082 -3.034 1.00 0.00 N ATOM 1827 CA GLN A 119 13.676 -8.973 -3.392 1.00 0.00 C ATOM 1828 C GLN A 119 13.184 -7.669 -2.773 1.00 0.00 C ATOM 1829 O GLN A 119 12.317 -6.994 -3.329 1.00 0.00 O ATOM 1830 CB GLN A 119 13.757 -8.830 -4.913 1.00 0.00 C ATOM 1831 CG GLN A 119 14.839 -9.689 -5.547 1.00 0.00 C ATOM 1832 CD GLN A 119 15.068 -10.987 -4.798 1.00 0.00 C ATOM 1833 OE1 GLN A 119 15.792 -11.023 -3.803 1.00 0.00 O ATOM 1834 NE2 GLN A 119 14.450 -12.062 -5.274 1.00 0.00 N ATOM 0 H GLN A 119 11.956 -10.153 -3.602 1.00 0.00 H new ATOM 0 HA GLN A 119 14.670 -9.188 -3.000 1.00 0.00 H new ATOM 0 HB2 GLN A 119 12.793 -9.096 -5.347 1.00 0.00 H new ATOM 0 HB3 GLN A 119 13.941 -7.785 -5.162 1.00 0.00 H new ATOM 0 HG2 GLN A 119 14.563 -9.913 -6.577 1.00 0.00 H new ATOM 0 HG3 GLN A 119 15.771 -9.125 -5.582 1.00 0.00 H new ATOM 0 HE21 GLN A 119 13.859 -11.986 -6.102 1.00 0.00 H new ATOM 0 HE22 GLN A 119 14.566 -12.964 -4.812 1.00 0.00 H new ATOM 1843 N SER A 120 13.742 -7.320 -1.618 1.00 0.00 N ATOM 1844 CA SER A 120 13.357 -6.098 -0.921 1.00 0.00 C ATOM 1845 C SER A 120 13.304 -4.916 -1.884 1.00 0.00 C ATOM 1846 O SER A 120 12.303 -4.204 -1.957 1.00 0.00 O ATOM 1847 CB SER A 120 14.339 -5.803 0.214 1.00 0.00 C ATOM 1848 OG SER A 120 15.624 -6.327 -0.073 1.00 0.00 O ATOM 0 H SER A 120 14.462 -7.866 -1.145 1.00 0.00 H new ATOM 0 HA SER A 120 12.362 -6.246 -0.502 1.00 0.00 H new ATOM 0 HB2 SER A 120 14.408 -4.726 0.368 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.966 -6.235 1.143 1.00 0.00 H new ATOM 0 HG SER A 120 16.233 -6.123 0.667 1.00 0.00 H new ATOM 1854 N SER A 121 14.391 -4.714 -2.623 1.00 0.00 N ATOM 1855 CA SER A 121 14.472 -3.617 -3.580 1.00 0.00 C ATOM 1856 C SER A 121 13.129 -3.398 -4.269 1.00 0.00 C ATOM 1857 O SER A 121 12.725 -2.262 -4.522 1.00 0.00 O ATOM 1858 CB SER A 121 15.554 -3.901 -4.623 1.00 0.00 C ATOM 1859 OG SER A 121 15.017 -4.587 -5.741 1.00 0.00 O ATOM 0 H SER A 121 15.227 -5.296 -2.577 1.00 0.00 H new ATOM 0 HA SER A 121 14.733 -2.710 -3.035 1.00 0.00 H new ATOM 0 HB2 SER A 121 16.004 -2.963 -4.949 1.00 0.00 H new ATOM 0 HB3 SER A 121 16.349 -4.497 -4.174 1.00 0.00 H new ATOM 0 HG SER A 121 15.728 -4.755 -6.394 1.00 0.00 H new ATOM 1865 N LEU A 122 12.440 -4.493 -4.572 1.00 0.00 N ATOM 1866 CA LEU A 122 11.142 -4.423 -5.233 1.00 0.00 C ATOM 1867 C LEU A 122 10.030 -4.162 -4.222 1.00 0.00 C ATOM 1868 O LEU A 122 9.167 -3.310 -4.437 1.00 0.00 O ATOM 1869 CB LEU A 122 10.863 -5.721 -5.991 1.00 0.00 C ATOM 1870 CG LEU A 122 11.855 -6.078 -7.099 1.00 0.00 C ATOM 1871 CD1 LEU A 122 11.684 -7.529 -7.521 1.00 0.00 C ATOM 1872 CD2 LEU A 122 11.679 -5.149 -8.292 1.00 0.00 C ATOM 0 H LEU A 122 12.759 -5.440 -4.370 1.00 0.00 H new ATOM 0 HA LEU A 122 11.166 -3.594 -5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 122 10.841 -6.540 -5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 122 9.867 -5.655 -6.430 1.00 0.00 H new ATOM 0 HG LEU A 122 12.866 -5.951 -6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 122 12.398 -7.765 -8.310 1.00 0.00 H new ATOM 0 HD12 LEU A 122 11.861 -8.180 -6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 122 10.670 -7.683 -7.891 1.00 0.00 H new ATOM 0 HD21 LEU A 122 12.393 -5.418 -9.071 1.00 0.00 H new ATOM 0 HD22 LEU A 122 10.665 -5.244 -8.681 1.00 0.00 H new ATOM 0 HD23 LEU A 122 11.853 -4.119 -7.980 1.00 0.00 H new ATOM 1884 N VAL A 123 10.057 -4.899 -3.116 1.00 0.00 N ATOM 1885 CA VAL A 123 9.053 -4.746 -2.070 1.00 0.00 C ATOM 1886 C VAL A 123 8.929 -3.289 -1.637 1.00 0.00 C ATOM 1887 O VAL A 123 7.826 -2.789 -1.417 1.00 0.00 O ATOM 1888 CB VAL A 123 9.390 -5.608 -0.839 1.00 0.00 C ATOM 1889 CG1 VAL A 123 8.393 -5.352 0.282 1.00 0.00 C ATOM 1890 CG2 VAL A 123 9.416 -7.083 -1.213 1.00 0.00 C ATOM 0 H VAL A 123 10.764 -5.608 -2.921 1.00 0.00 H new ATOM 0 HA VAL A 123 8.104 -5.080 -2.490 1.00 0.00 H new ATOM 0 HB VAL A 123 10.381 -5.329 -0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 123 8.647 -5.970 1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 123 8.428 -4.300 0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 123 7.389 -5.602 -0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 123 9.656 -7.678 -0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 123 8.439 -7.379 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 123 10.172 -7.251 -1.980 1.00 0.00 H new ATOM 1900 N GLU A 124 10.068 -2.613 -1.518 1.00 0.00 N ATOM 1901 CA GLU A 124 10.085 -1.213 -1.111 1.00 0.00 C ATOM 1902 C GLU A 124 9.735 -0.302 -2.283 1.00 0.00 C ATOM 1903 O GLU A 124 9.388 0.864 -2.095 1.00 0.00 O ATOM 1904 CB GLU A 124 11.460 -0.839 -0.553 1.00 0.00 C ATOM 1905 CG GLU A 124 12.551 -0.781 -1.609 1.00 0.00 C ATOM 1906 CD GLU A 124 13.841 -0.182 -1.083 1.00 0.00 C ATOM 1907 OE1 GLU A 124 13.974 1.059 -1.112 1.00 0.00 O ATOM 1908 OE2 GLU A 124 14.717 -0.955 -0.642 1.00 0.00 O ATOM 0 H GLU A 124 10.989 -3.012 -1.697 1.00 0.00 H new ATOM 0 HA GLU A 124 9.335 -1.078 -0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 124 11.391 0.131 -0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.743 -1.565 0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 124 12.747 -1.787 -1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.200 -0.192 -2.456 1.00 0.00 H new ATOM 1915 N MET A 125 9.828 -0.842 -3.494 1.00 0.00 N ATOM 1916 CA MET A 125 9.520 -0.078 -4.697 1.00 0.00 C ATOM 1917 C MET A 125 8.015 -0.018 -4.933 1.00 0.00 C ATOM 1918 O MET A 125 7.437 1.063 -5.044 1.00 0.00 O ATOM 1919 CB MET A 125 10.215 -0.697 -5.912 1.00 0.00 C ATOM 1920 CG MET A 125 10.226 0.209 -7.133 1.00 0.00 C ATOM 1921 SD MET A 125 10.289 -0.713 -8.681 1.00 0.00 S ATOM 1922 CE MET A 125 8.667 -1.473 -8.689 1.00 0.00 C ATOM 0 H MET A 125 10.114 -1.805 -3.668 1.00 0.00 H new ATOM 0 HA MET A 125 9.888 0.938 -4.556 1.00 0.00 H new ATOM 0 HB2 MET A 125 11.242 -0.946 -5.645 1.00 0.00 H new ATOM 0 HB3 MET A 125 9.717 -1.632 -6.168 1.00 0.00 H new ATOM 0 HG2 MET A 125 9.334 0.836 -7.124 1.00 0.00 H new ATOM 0 HG3 MET A 125 11.085 0.877 -7.077 1.00 0.00 H new ATOM 0 HE1 MET A 125 8.373 -1.692 -9.715 1.00 0.00 H new ATOM 0 HE2 MET A 125 8.696 -2.399 -8.114 1.00 0.00 H new ATOM 0 HE3 MET A 125 7.943 -0.791 -8.242 1.00 0.00 H new ATOM 1932 N ILE A 126 7.386 -1.186 -5.010 1.00 0.00 N ATOM 1933 CA ILE A 126 5.947 -1.266 -5.232 1.00 0.00 C ATOM 1934 C ILE A 126 5.186 -0.427 -4.211 1.00 0.00 C ATOM 1935 O ILE A 126 4.075 0.033 -4.474 1.00 0.00 O ATOM 1936 CB ILE A 126 5.446 -2.720 -5.161 1.00 0.00 C ATOM 1937 CG1 ILE A 126 3.997 -2.808 -5.645 1.00 0.00 C ATOM 1938 CG2 ILE A 126 5.568 -3.253 -3.741 1.00 0.00 C ATOM 1939 CD1 ILE A 126 3.599 -4.191 -6.112 1.00 0.00 C ATOM 0 H ILE A 126 7.850 -2.090 -4.922 1.00 0.00 H new ATOM 0 HA ILE A 126 5.760 -0.875 -6.232 1.00 0.00 H new ATOM 0 HB ILE A 126 6.066 -3.334 -5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 126 3.333 -2.501 -4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 126 3.852 -2.102 -6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 126 5.210 -4.282 -3.707 1.00 0.00 H new ATOM 0 HG22 ILE A 126 6.612 -3.221 -3.429 1.00 0.00 H new ATOM 0 HG23 ILE A 126 4.970 -2.638 -3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 126 2.560 -4.179 -6.441 1.00 0.00 H new ATOM 0 HD12 ILE A 126 4.238 -4.493 -6.941 1.00 0.00 H new ATOM 0 HD13 ILE A 126 3.712 -4.899 -5.291 1.00 0.00 H new ATOM 1951 N PHE A 127 5.793 -0.229 -3.046 1.00 0.00 N ATOM 1952 CA PHE A 127 5.174 0.556 -1.985 1.00 0.00 C ATOM 1953 C PHE A 127 5.498 2.038 -2.144 1.00 0.00 C ATOM 1954 O PHE A 127 4.622 2.894 -2.021 1.00 0.00 O ATOM 1955 CB PHE A 127 5.645 0.064 -0.615 1.00 0.00 C ATOM 1956 CG PHE A 127 5.134 -1.303 -0.260 1.00 0.00 C ATOM 1957 CD1 PHE A 127 3.808 -1.640 -0.480 1.00 0.00 C ATOM 1958 CD2 PHE A 127 5.979 -2.252 0.292 1.00 0.00 C ATOM 1959 CE1 PHE A 127 3.334 -2.896 -0.154 1.00 0.00 C ATOM 1960 CE2 PHE A 127 5.511 -3.511 0.620 1.00 0.00 C ATOM 1961 CZ PHE A 127 4.187 -3.834 0.395 1.00 0.00 C ATOM 0 H PHE A 127 6.713 -0.602 -2.813 1.00 0.00 H new ATOM 0 HA PHE A 127 4.094 0.429 -2.057 1.00 0.00 H new ATOM 0 HB2 PHE A 127 6.735 0.051 -0.597 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.322 0.773 0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 127 3.137 -0.912 -0.912 1.00 0.00 H new ATOM 0 HD2 PHE A 127 7.016 -2.005 0.468 1.00 0.00 H new ATOM 0 HE1 PHE A 127 2.297 -3.144 -0.328 1.00 0.00 H new ATOM 0 HE2 PHE A 127 6.180 -4.241 1.052 1.00 0.00 H new ATOM 0 HZ PHE A 127 3.819 -4.818 0.648 1.00 0.00 H new ATOM 1971 N SER A 128 6.765 2.334 -2.419 1.00 0.00 N ATOM 1972 CA SER A 128 7.207 3.713 -2.591 1.00 0.00 C ATOM 1973 C SER A 128 6.468 4.380 -3.747 1.00 0.00 C ATOM 1974 O SER A 128 5.964 5.495 -3.614 1.00 0.00 O ATOM 1975 CB SER A 128 8.716 3.759 -2.841 1.00 0.00 C ATOM 1976 OG SER A 128 9.181 5.096 -2.911 1.00 0.00 O ATOM 0 H SER A 128 7.503 1.638 -2.527 1.00 0.00 H new ATOM 0 HA SER A 128 6.980 4.259 -1.675 1.00 0.00 H new ATOM 0 HB2 SER A 128 9.236 3.231 -2.042 1.00 0.00 H new ATOM 0 HB3 SER A 128 8.950 3.240 -3.771 1.00 0.00 H new ATOM 0 HG SER A 128 10.148 5.098 -3.070 1.00 0.00 H new