USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 597 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 13 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 17 ASN : amide:sc= -2.51! X(o=-2.5!,f=-2.1) USER MOD Set 2.1: A 9 ASN : amide:sc= -0.0154 K(o=-2.5,f=-4.1!) USER MOD Set 2.2: A 12 GLN : amide:sc= -2.49 K(o=-2.5,f=-3.9!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 78:sc= -2.3! USER MOD Single : A 22 GLN : amide:sc= -2.73! C(o=-2.7!,f=-4!) USER MOD Single : A 25 HIS : no HD1:sc= -5.39! C(o=-5.4!,f=-7.7!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.951 X(o=-0.95,f=-0.77) USER MOD Single : A 34 GLN : amide:sc= -1.76 K(o=-1.8,f=-10!) USER MOD Single : A 45 MET CE :methyl 164:sc= -0.544 (180deg=-1.5) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 152:sc= -1.61! (180deg=-3.99!) USER MOD Single : A 51 GLN : amide:sc= -0.653 K(o=-0.65,f=-3.8!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -158:sc= 0 (180deg=-0.335) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.03! X(o=-1!,f=-0.87) USER MOD Single : A 68 HIS : no HD1:sc= -2.09 K(o=-2.1,f=-2.7) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 15:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.652 USER MOD Single : A 85 LYS NZ :NH3+ 157:sc= -0.0798 (180deg=-0.531) USER MOD ----------------------------------------------------------------- ATOM 127 N ASN A 9 9.908 -10.690 -11.186 1.00 0.00 N ATOM 128 CA ASN A 9 8.642 -10.034 -11.468 1.00 0.00 C ATOM 129 C ASN A 9 8.510 -9.817 -12.976 1.00 0.00 C ATOM 130 O ASN A 9 7.407 -9.620 -13.484 1.00 0.00 O ATOM 131 CB ASN A 9 8.566 -8.667 -10.785 1.00 0.00 C ATOM 132 CG ASN A 9 7.134 -8.129 -10.795 1.00 0.00 C ATOM 133 OD1 ASN A 9 6.166 -8.868 -10.867 1.00 0.00 O ATOM 134 ND2 ASN A 9 7.054 -6.803 -10.718 1.00 0.00 N ATOM 0 HA ASN A 9 7.841 -10.670 -11.091 1.00 0.00 H new ATOM 0 HB2 ASN A 9 8.920 -8.750 -9.757 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.226 -7.965 -11.294 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.142 -6.346 -10.717 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.905 -6.243 -10.660 1.00 0.00 H new ATOM 141 N GLU A 10 9.650 -9.861 -13.650 1.00 0.00 N ATOM 142 CA GLU A 10 9.675 -9.672 -15.091 1.00 0.00 C ATOM 143 C GLU A 10 8.904 -10.794 -15.787 1.00 0.00 C ATOM 144 O GLU A 10 8.008 -10.532 -16.589 1.00 0.00 O ATOM 145 CB GLU A 10 11.113 -9.592 -15.608 1.00 0.00 C ATOM 146 CG GLU A 10 11.259 -8.485 -16.655 1.00 0.00 C ATOM 147 CD GLU A 10 11.921 -7.245 -16.052 1.00 0.00 C ATOM 148 OE1 GLU A 10 13.119 -7.275 -15.733 1.00 0.00 O ATOM 149 OE2 GLU A 10 11.146 -6.222 -15.921 1.00 0.00 O ATOM 0 H GLU A 10 10.563 -10.025 -13.225 1.00 0.00 H new ATOM 0 HA GLU A 10 9.187 -8.725 -15.322 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.792 -9.403 -14.777 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.401 -10.549 -16.043 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.854 -8.848 -17.493 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.278 -8.222 -17.051 1.00 0.00 H new ATOM 157 N ILE A 11 9.279 -12.021 -15.456 1.00 0.00 N ATOM 158 CA ILE A 11 8.633 -13.184 -16.040 1.00 0.00 C ATOM 159 C ILE A 11 7.188 -13.262 -15.545 1.00 0.00 C ATOM 160 O ILE A 11 6.352 -13.923 -16.160 1.00 0.00 O ATOM 161 CB ILE A 11 9.449 -14.448 -15.758 1.00 0.00 C ATOM 162 CG1 ILE A 11 10.947 -14.138 -15.728 1.00 0.00 C ATOM 163 CG2 ILE A 11 9.112 -15.553 -16.761 1.00 0.00 C ATOM 164 CD1 ILE A 11 11.486 -14.175 -14.297 1.00 0.00 C ATOM 0 H ILE A 11 10.022 -12.235 -14.791 1.00 0.00 H new ATOM 0 HA ILE A 11 8.594 -13.093 -17.125 1.00 0.00 H new ATOM 0 HB ILE A 11 9.177 -14.817 -14.769 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.484 -14.861 -16.341 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.127 -13.155 -16.163 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.705 -16.440 -16.538 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.052 -15.798 -16.690 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.338 -15.209 -17.770 1.00 0.00 H new ATOM 0 HD11 ILE A 11 12.553 -13.951 -14.304 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.964 -13.434 -13.692 1.00 0.00 H new ATOM 0 HD13 ILE A 11 11.326 -15.167 -13.873 1.00 0.00 H new ATOM 176 N GLN A 12 6.937 -12.578 -14.438 1.00 0.00 N ATOM 177 CA GLN A 12 5.607 -12.561 -13.854 1.00 0.00 C ATOM 178 C GLN A 12 4.718 -11.554 -14.586 1.00 0.00 C ATOM 179 O GLN A 12 3.532 -11.804 -14.794 1.00 0.00 O ATOM 180 CB GLN A 12 5.670 -12.251 -12.357 1.00 0.00 C ATOM 181 CG GLN A 12 5.970 -13.514 -11.547 1.00 0.00 C ATOM 182 CD GLN A 12 6.823 -13.189 -10.319 1.00 0.00 C ATOM 183 OE1 GLN A 12 7.709 -13.932 -9.932 1.00 0.00 O ATOM 184 NE2 GLN A 12 6.506 -12.039 -9.730 1.00 0.00 N ATOM 0 H GLN A 12 7.633 -12.031 -13.930 1.00 0.00 H new ATOM 0 HA GLN A 12 5.169 -13.552 -13.968 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.440 -11.503 -12.169 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.723 -11.822 -12.031 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.036 -13.979 -11.232 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.490 -14.238 -12.174 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.752 -11.464 -10.106 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.017 -11.732 -8.902 1.00 0.00 H new ATOM 193 N SER A 13 5.326 -10.436 -14.956 1.00 0.00 N ATOM 194 CA SER A 13 4.605 -9.390 -15.660 1.00 0.00 C ATOM 195 C SER A 13 4.292 -9.840 -17.088 1.00 0.00 C ATOM 196 O SER A 13 3.243 -9.502 -17.634 1.00 0.00 O ATOM 197 CB SER A 13 5.404 -8.085 -15.677 1.00 0.00 C ATOM 198 OG SER A 13 4.599 -6.971 -16.051 1.00 0.00 O ATOM 0 H SER A 13 6.310 -10.232 -14.781 1.00 0.00 H new ATOM 0 HA SER A 13 3.670 -9.204 -15.132 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.831 -7.909 -14.690 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.238 -8.180 -16.373 1.00 0.00 H new ATOM 0 HG SER A 13 5.145 -6.157 -16.049 1.00 0.00 H new ATOM 204 N VAL A 14 5.222 -10.596 -17.653 1.00 0.00 N ATOM 205 CA VAL A 14 5.059 -11.095 -19.008 1.00 0.00 C ATOM 206 C VAL A 14 4.066 -12.259 -19.001 1.00 0.00 C ATOM 207 O VAL A 14 3.188 -12.335 -19.860 1.00 0.00 O ATOM 208 CB VAL A 14 6.421 -11.475 -19.593 1.00 0.00 C ATOM 209 CG1 VAL A 14 7.377 -10.281 -19.576 1.00 0.00 C ATOM 210 CG2 VAL A 14 7.022 -12.670 -18.851 1.00 0.00 C ATOM 0 H VAL A 14 6.091 -10.875 -17.197 1.00 0.00 H new ATOM 0 HA VAL A 14 4.648 -10.320 -19.654 1.00 0.00 H new ATOM 0 HB VAL A 14 6.270 -11.768 -20.632 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.338 -10.578 -19.997 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.956 -9.469 -20.169 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.520 -9.944 -18.549 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.990 -12.920 -19.287 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.152 -12.417 -17.799 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.353 -13.526 -18.938 1.00 0.00 H new ATOM 220 N LEU A 15 4.237 -13.136 -18.023 1.00 0.00 N ATOM 221 CA LEU A 15 3.367 -14.292 -17.894 1.00 0.00 C ATOM 222 C LEU A 15 1.916 -13.822 -17.769 1.00 0.00 C ATOM 223 O LEU A 15 1.026 -14.363 -18.423 1.00 0.00 O ATOM 224 CB LEU A 15 3.826 -15.182 -16.737 1.00 0.00 C ATOM 225 CG LEU A 15 2.766 -16.113 -16.145 1.00 0.00 C ATOM 226 CD1 LEU A 15 2.351 -17.185 -17.154 1.00 0.00 C ATOM 227 CD2 LEU A 15 3.246 -16.722 -14.826 1.00 0.00 C ATOM 0 H LEU A 15 4.966 -13.069 -17.312 1.00 0.00 H new ATOM 0 HA LEU A 15 3.426 -14.914 -18.787 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.663 -15.790 -17.082 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.204 -14.542 -15.940 1.00 0.00 H new ATOM 0 HG LEU A 15 1.878 -15.521 -15.922 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.597 -17.833 -16.707 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.939 -16.708 -18.043 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.221 -17.779 -17.432 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.474 -17.380 -14.427 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.157 -17.295 -15.000 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.450 -15.925 -14.110 1.00 0.00 H new ATOM 239 N MET A 16 1.724 -12.819 -16.925 1.00 0.00 N ATOM 240 CA MET A 16 0.396 -12.269 -16.706 1.00 0.00 C ATOM 241 C MET A 16 -0.038 -11.399 -17.887 1.00 0.00 C ATOM 242 O MET A 16 -1.195 -11.443 -18.303 1.00 0.00 O ATOM 243 CB MET A 16 0.395 -11.431 -15.426 1.00 0.00 C ATOM 244 CG MET A 16 -0.278 -12.185 -14.278 1.00 0.00 C ATOM 245 SD MET A 16 0.815 -12.254 -12.869 1.00 0.00 S ATOM 246 CE MET A 16 -0.237 -13.100 -11.701 1.00 0.00 C ATOM 0 H MET A 16 2.465 -12.373 -16.385 1.00 0.00 H new ATOM 0 HA MET A 16 -0.308 -13.095 -16.610 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.419 -11.181 -15.150 1.00 0.00 H new ATOM 0 HB3 MET A 16 -0.126 -10.490 -15.603 1.00 0.00 H new ATOM 0 HG2 MET A 16 -1.209 -11.689 -14.003 1.00 0.00 H new ATOM 0 HG3 MET A 16 -0.537 -13.194 -14.597 1.00 0.00 H new ATOM 0 HE1 MET A 16 0.295 -13.227 -10.758 1.00 0.00 H new ATOM 0 HE2 MET A 16 -1.140 -12.513 -11.533 1.00 0.00 H new ATOM 0 HE3 MET A 16 -0.509 -14.078 -12.098 1.00 0.00 H new ATOM 256 N ASN A 17 0.913 -10.628 -18.395 1.00 0.00 N ATOM 257 CA ASN A 17 0.643 -9.749 -19.520 1.00 0.00 C ATOM 258 C ASN A 17 0.005 -10.558 -20.651 1.00 0.00 C ATOM 259 O ASN A 17 -0.847 -10.049 -21.378 1.00 0.00 O ATOM 260 CB ASN A 17 1.934 -9.125 -20.053 1.00 0.00 C ATOM 261 CG ASN A 17 2.152 -7.730 -19.464 1.00 0.00 C ATOM 262 OD1 ASN A 17 1.241 -6.927 -19.349 1.00 0.00 O ATOM 263 ND2 ASN A 17 3.408 -7.487 -19.100 1.00 0.00 N ATOM 0 H ASN A 17 1.872 -10.594 -18.048 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.025 -8.958 -19.178 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.781 -9.765 -19.805 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.890 -9.062 -21.140 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.656 -6.584 -18.697 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.123 -8.204 -19.224 1.00 0.00 H new ATOM 270 N ALA A 18 0.443 -11.803 -20.766 1.00 0.00 N ATOM 271 CA ALA A 18 -0.074 -12.686 -21.797 1.00 0.00 C ATOM 272 C ALA A 18 -1.495 -13.117 -21.428 1.00 0.00 C ATOM 273 O ALA A 18 -2.408 -13.022 -22.247 1.00 0.00 O ATOM 274 CB ALA A 18 0.870 -13.878 -21.969 1.00 0.00 C ATOM 0 H ALA A 18 1.150 -12.221 -20.162 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.124 -12.169 -22.755 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.482 -14.541 -22.743 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.858 -13.521 -22.259 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.943 -14.423 -21.028 1.00 0.00 H new ATOM 280 N LEU A 19 -1.638 -13.580 -20.195 1.00 0.00 N ATOM 281 CA LEU A 19 -2.932 -14.026 -19.708 1.00 0.00 C ATOM 282 C LEU A 19 -2.971 -13.894 -18.184 1.00 0.00 C ATOM 283 O LEU A 19 -3.000 -12.785 -17.653 1.00 0.00 O ATOM 284 CB LEU A 19 -3.238 -15.438 -20.212 1.00 0.00 C ATOM 285 CG LEU A 19 -2.024 -16.309 -20.543 1.00 0.00 C ATOM 286 CD1 LEU A 19 -1.203 -16.605 -19.287 1.00 0.00 C ATOM 287 CD2 LEU A 19 -2.449 -17.589 -21.265 1.00 0.00 C ATOM 0 H LEU A 19 -0.879 -13.656 -19.518 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.727 -13.394 -20.104 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.833 -15.951 -19.457 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.857 -15.357 -21.105 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.380 -15.753 -21.225 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.346 -17.225 -19.550 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.853 -15.669 -18.852 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.824 -17.132 -18.562 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.568 -18.190 -21.489 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.125 -18.159 -20.627 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.958 -17.331 -22.194 1.00 0.00 H new ATOM 299 N SER A 20 -2.971 -15.043 -17.523 1.00 0.00 N ATOM 300 CA SER A 20 -3.007 -15.070 -16.071 1.00 0.00 C ATOM 301 C SER A 20 -3.812 -16.279 -15.589 1.00 0.00 C ATOM 302 O SER A 20 -4.684 -16.772 -16.303 1.00 0.00 O ATOM 303 CB SER A 20 -3.603 -13.778 -15.510 1.00 0.00 C ATOM 304 OG SER A 20 -2.618 -12.761 -15.348 1.00 0.00 O ATOM 0 H SER A 20 -2.947 -15.961 -17.966 1.00 0.00 H new ATOM 0 HA SER A 20 -1.983 -15.154 -15.706 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.387 -13.420 -16.178 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.073 -13.984 -14.548 1.00 0.00 H new ATOM 0 HG SER A 20 -2.417 -12.359 -16.219 1.00 0.00 H new ATOM 310 N LEU A 21 -3.490 -16.721 -14.383 1.00 0.00 N ATOM 311 CA LEU A 21 -4.173 -17.863 -13.798 1.00 0.00 C ATOM 312 C LEU A 21 -4.553 -17.539 -12.352 1.00 0.00 C ATOM 313 O LEU A 21 -5.670 -17.824 -11.921 1.00 0.00 O ATOM 314 CB LEU A 21 -3.323 -19.127 -13.941 1.00 0.00 C ATOM 315 CG LEU A 21 -4.011 -20.328 -14.593 1.00 0.00 C ATOM 316 CD1 LEU A 21 -4.079 -20.163 -16.112 1.00 0.00 C ATOM 317 CD2 LEU A 21 -3.329 -21.637 -14.188 1.00 0.00 C ATOM 0 H LEU A 21 -2.766 -16.310 -13.795 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.100 -18.067 -14.334 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.436 -18.880 -14.525 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.980 -19.424 -12.950 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.037 -20.373 -14.228 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.573 -21.030 -16.550 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.643 -19.263 -16.355 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.070 -20.078 -16.514 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.837 -22.475 -14.665 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.286 -21.617 -14.505 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.377 -21.752 -13.105 1.00 0.00 H new ATOM 329 N GLN A 22 -3.604 -16.947 -11.642 1.00 0.00 N ATOM 330 CA GLN A 22 -3.825 -16.580 -10.254 1.00 0.00 C ATOM 331 C GLN A 22 -2.491 -16.301 -9.559 1.00 0.00 C ATOM 332 O GLN A 22 -2.167 -15.150 -9.271 1.00 0.00 O ATOM 333 CB GLN A 22 -4.609 -17.669 -9.518 1.00 0.00 C ATOM 334 CG GLN A 22 -5.968 -17.145 -9.049 1.00 0.00 C ATOM 335 CD GLN A 22 -7.110 -17.846 -9.786 1.00 0.00 C ATOM 336 OE1 GLN A 22 -7.157 -19.060 -9.900 1.00 0.00 O ATOM 337 NE2 GLN A 22 -8.026 -17.017 -10.279 1.00 0.00 N ATOM 0 H GLN A 22 -2.679 -16.712 -12.003 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.422 -15.668 -10.230 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.753 -18.526 -10.176 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.035 -18.019 -8.660 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.072 -17.303 -7.976 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.026 -16.070 -9.220 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.926 -16.010 -10.148 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.828 -17.388 -10.788 1.00 0.00 H new ATOM 346 N GLU A 23 -1.753 -17.373 -9.311 1.00 0.00 N ATOM 347 CA GLU A 23 -0.462 -17.257 -8.656 1.00 0.00 C ATOM 348 C GLU A 23 0.666 -17.517 -9.656 1.00 0.00 C ATOM 349 O GLU A 23 0.411 -17.845 -10.814 1.00 0.00 O ATOM 350 CB GLU A 23 -0.365 -18.209 -7.462 1.00 0.00 C ATOM 351 CG GLU A 23 -0.393 -17.437 -6.141 1.00 0.00 C ATOM 352 CD GLU A 23 0.477 -18.123 -5.086 1.00 0.00 C ATOM 353 OE1 GLU A 23 -0.054 -18.730 -4.144 1.00 0.00 O ATOM 354 OE2 GLU A 23 1.749 -18.010 -5.271 1.00 0.00 O ATOM 0 H GLU A 23 -2.025 -18.326 -9.552 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.359 -16.240 -8.278 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.192 -18.919 -7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.555 -18.789 -7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.039 -16.419 -6.303 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.419 -17.364 -5.780 1.00 0.00 H new ATOM 362 N VAL A 24 1.890 -17.360 -9.174 1.00 0.00 N ATOM 363 CA VAL A 24 3.058 -17.573 -10.012 1.00 0.00 C ATOM 364 C VAL A 24 4.095 -18.388 -9.236 1.00 0.00 C ATOM 365 O VAL A 24 4.118 -18.361 -8.006 1.00 0.00 O ATOM 366 CB VAL A 24 3.601 -16.230 -10.505 1.00 0.00 C ATOM 367 CG1 VAL A 24 2.470 -15.339 -11.022 1.00 0.00 C ATOM 368 CG2 VAL A 24 4.396 -15.524 -9.405 1.00 0.00 C ATOM 0 H VAL A 24 2.098 -17.088 -8.213 1.00 0.00 H new ATOM 0 HA VAL A 24 2.791 -18.146 -10.900 1.00 0.00 H new ATOM 0 HB VAL A 24 4.279 -16.426 -11.335 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.882 -14.391 -11.366 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.964 -15.837 -11.849 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.756 -15.154 -10.219 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.771 -14.572 -9.781 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.749 -15.345 -8.546 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.235 -16.151 -9.103 1.00 0.00 H new ATOM 378 N HIS A 25 4.927 -19.095 -9.987 1.00 0.00 N ATOM 379 CA HIS A 25 5.963 -19.916 -9.385 1.00 0.00 C ATOM 380 C HIS A 25 7.219 -19.879 -10.258 1.00 0.00 C ATOM 381 O HIS A 25 7.247 -20.467 -11.338 1.00 0.00 O ATOM 382 CB HIS A 25 5.455 -21.338 -9.138 1.00 0.00 C ATOM 383 CG HIS A 25 4.665 -21.495 -7.860 1.00 0.00 C ATOM 384 ND1 HIS A 25 3.377 -21.012 -7.711 1.00 0.00 N ATOM 385 CD2 HIS A 25 4.995 -22.086 -6.676 1.00 0.00 C ATOM 386 CE1 HIS A 25 2.960 -21.304 -6.488 1.00 0.00 C ATOM 387 NE2 HIS A 25 3.964 -21.969 -5.848 1.00 0.00 N ATOM 0 H HIS A 25 4.904 -19.116 -11.007 1.00 0.00 H new ATOM 0 HA HIS A 25 6.229 -19.513 -8.408 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.831 -21.641 -9.979 1.00 0.00 H new ATOM 0 HB3 HIS A 25 6.307 -22.018 -9.112 1.00 0.00 H new ATOM 0 HD2 HIS A 25 5.935 -22.567 -6.450 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.994 -21.059 -6.071 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.929 -22.319 -4.891 1.00 0.00 H new ATOM 395 N VAL A 26 8.229 -19.182 -9.757 1.00 0.00 N ATOM 396 CA VAL A 26 9.484 -19.061 -10.478 1.00 0.00 C ATOM 397 C VAL A 26 10.538 -19.948 -9.811 1.00 0.00 C ATOM 398 O VAL A 26 11.214 -19.520 -8.877 1.00 0.00 O ATOM 399 CB VAL A 26 9.903 -17.591 -10.555 1.00 0.00 C ATOM 400 CG1 VAL A 26 8.791 -16.736 -11.167 1.00 0.00 C ATOM 401 CG2 VAL A 26 10.306 -17.062 -9.177 1.00 0.00 C ATOM 0 H VAL A 26 8.203 -18.696 -8.861 1.00 0.00 H new ATOM 0 HA VAL A 26 9.369 -19.408 -11.505 1.00 0.00 H new ATOM 0 HB VAL A 26 10.774 -17.525 -11.206 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.114 -15.696 -11.210 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.572 -17.090 -12.174 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.894 -16.812 -10.553 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.599 -16.015 -9.260 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.462 -17.149 -8.493 1.00 0.00 H new ATOM 0 HG23 VAL A 26 11.144 -17.644 -8.795 1.00 0.00 H new ATOM 411 N SER A 27 10.645 -21.167 -10.318 1.00 0.00 N ATOM 412 CA SER A 27 11.605 -22.118 -9.784 1.00 0.00 C ATOM 413 C SER A 27 12.834 -22.188 -10.693 1.00 0.00 C ATOM 414 O SER A 27 12.722 -22.031 -11.907 1.00 0.00 O ATOM 415 CB SER A 27 10.979 -23.506 -9.631 1.00 0.00 C ATOM 416 OG SER A 27 11.922 -24.469 -9.169 1.00 0.00 O ATOM 0 H SER A 27 10.083 -21.518 -11.093 1.00 0.00 H new ATOM 0 HA SER A 27 11.911 -21.776 -8.795 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.144 -23.452 -8.932 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.572 -23.828 -10.590 1.00 0.00 H new ATOM 0 HG SER A 27 11.483 -25.341 -9.083 1.00 0.00 H new ATOM 460 N HIS A 32 18.277 -19.875 -15.812 1.00 0.00 N ATOM 461 CA HIS A 32 17.439 -20.958 -16.296 1.00 0.00 C ATOM 462 C HIS A 32 16.434 -21.354 -15.212 1.00 0.00 C ATOM 463 O HIS A 32 16.791 -22.022 -14.243 1.00 0.00 O ATOM 464 CB HIS A 32 18.293 -22.135 -16.771 1.00 0.00 C ATOM 465 CG HIS A 32 18.897 -22.947 -15.650 1.00 0.00 C ATOM 466 ND1 HIS A 32 20.012 -22.534 -14.942 1.00 0.00 N ATOM 467 CD2 HIS A 32 18.529 -24.150 -15.123 1.00 0.00 C ATOM 468 CE1 HIS A 32 20.294 -23.456 -14.032 1.00 0.00 C ATOM 469 NE2 HIS A 32 19.374 -24.456 -14.146 1.00 0.00 N ATOM 0 HA HIS A 32 16.871 -20.623 -17.164 1.00 0.00 H new ATOM 0 HB2 HIS A 32 17.679 -22.789 -17.390 1.00 0.00 H new ATOM 0 HB3 HIS A 32 19.095 -21.756 -17.405 1.00 0.00 H new ATOM 0 HD2 HIS A 32 17.692 -24.752 -15.446 1.00 0.00 H new ATOM 0 HE1 HIS A 32 21.109 -23.421 -13.325 1.00 0.00 H new ATOM 0 HE2 HIS A 32 19.341 -25.300 -13.575 1.00 0.00 H new ATOM 477 N PHE A 33 15.197 -20.924 -15.412 1.00 0.00 N ATOM 478 CA PHE A 33 14.138 -21.225 -14.464 1.00 0.00 C ATOM 479 C PHE A 33 12.801 -21.426 -15.181 1.00 0.00 C ATOM 480 O PHE A 33 12.663 -21.079 -16.353 1.00 0.00 O ATOM 481 CB PHE A 33 14.023 -20.023 -13.525 1.00 0.00 C ATOM 482 CG PHE A 33 13.986 -18.673 -14.244 1.00 0.00 C ATOM 483 CD1 PHE A 33 12.895 -18.322 -14.976 1.00 0.00 C ATOM 484 CD2 PHE A 33 15.044 -17.823 -14.151 1.00 0.00 C ATOM 485 CE1 PHE A 33 12.860 -17.069 -15.643 1.00 0.00 C ATOM 486 CE2 PHE A 33 15.010 -16.570 -14.818 1.00 0.00 C ATOM 487 CZ PHE A 33 13.919 -16.219 -15.550 1.00 0.00 C ATOM 0 H PHE A 33 14.904 -20.370 -16.217 1.00 0.00 H new ATOM 0 HA PHE A 33 14.372 -22.142 -13.924 1.00 0.00 H new ATOM 0 HB2 PHE A 33 13.119 -20.129 -12.925 1.00 0.00 H new ATOM 0 HB3 PHE A 33 14.866 -20.032 -12.835 1.00 0.00 H new ATOM 0 HD1 PHE A 33 12.055 -18.997 -15.050 1.00 0.00 H new ATOM 0 HD2 PHE A 33 15.910 -18.101 -13.569 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.993 -16.790 -16.224 1.00 0.00 H new ATOM 0 HE2 PHE A 33 15.850 -15.896 -14.744 1.00 0.00 H new ATOM 0 HZ PHE A 33 13.893 -15.266 -16.057 1.00 0.00 H new ATOM 497 N GLN A 34 11.850 -21.985 -14.447 1.00 0.00 N ATOM 498 CA GLN A 34 10.529 -22.237 -14.998 1.00 0.00 C ATOM 499 C GLN A 34 9.478 -21.412 -14.252 1.00 0.00 C ATOM 500 O GLN A 34 9.392 -21.471 -13.027 1.00 0.00 O ATOM 501 CB GLN A 34 10.191 -23.728 -14.952 1.00 0.00 C ATOM 502 CG GLN A 34 9.241 -24.110 -16.089 1.00 0.00 C ATOM 503 CD GLN A 34 7.782 -24.028 -15.636 1.00 0.00 C ATOM 504 OE1 GLN A 34 7.312 -24.808 -14.823 1.00 0.00 O ATOM 505 NE2 GLN A 34 7.094 -23.042 -16.204 1.00 0.00 N ATOM 0 H GLN A 34 11.968 -22.271 -13.475 1.00 0.00 H new ATOM 0 HA GLN A 34 10.528 -21.931 -16.044 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.107 -24.315 -15.026 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.733 -23.971 -13.993 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.399 -23.446 -16.939 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.464 -25.121 -16.429 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.548 -22.425 -16.877 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.112 -22.903 -15.967 1.00 0.00 H new ATOM 514 N VAL A 35 8.704 -20.663 -15.024 1.00 0.00 N ATOM 515 CA VAL A 35 7.661 -19.828 -14.452 1.00 0.00 C ATOM 516 C VAL A 35 6.304 -20.505 -14.654 1.00 0.00 C ATOM 517 O VAL A 35 5.760 -20.496 -15.758 1.00 0.00 O ATOM 518 CB VAL A 35 7.725 -18.424 -15.056 1.00 0.00 C ATOM 519 CG1 VAL A 35 6.441 -17.644 -14.769 1.00 0.00 C ATOM 520 CG2 VAL A 35 8.953 -17.665 -14.549 1.00 0.00 C ATOM 0 H VAL A 35 8.778 -20.617 -16.040 1.00 0.00 H new ATOM 0 HA VAL A 35 7.810 -19.712 -13.378 1.00 0.00 H new ATOM 0 HB VAL A 35 7.818 -18.528 -16.137 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.513 -16.650 -15.209 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.591 -18.171 -15.201 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.303 -17.554 -13.692 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.975 -16.670 -14.993 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.904 -17.577 -13.464 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.857 -18.207 -14.828 1.00 0.00 H new ATOM 530 N ILE A 36 5.795 -21.074 -13.571 1.00 0.00 N ATOM 531 CA ILE A 36 4.511 -21.753 -13.616 1.00 0.00 C ATOM 532 C ILE A 36 3.423 -20.812 -13.096 1.00 0.00 C ATOM 533 O ILE A 36 3.577 -20.203 -12.038 1.00 0.00 O ATOM 534 CB ILE A 36 4.583 -23.085 -12.865 1.00 0.00 C ATOM 535 CG1 ILE A 36 4.576 -24.264 -13.839 1.00 0.00 C ATOM 536 CG2 ILE A 36 3.464 -23.191 -11.828 1.00 0.00 C ATOM 537 CD1 ILE A 36 4.998 -25.557 -13.138 1.00 0.00 C ATOM 0 H ILE A 36 6.248 -21.079 -12.657 1.00 0.00 H new ATOM 0 HA ILE A 36 4.249 -22.006 -14.643 1.00 0.00 H new ATOM 0 HB ILE A 36 5.528 -23.121 -12.323 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.579 -24.384 -14.263 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.252 -24.059 -14.669 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.538 -24.147 -11.309 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.557 -22.378 -11.108 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.498 -23.124 -12.327 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.984 -26.380 -13.853 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.005 -25.441 -12.737 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.306 -25.772 -12.324 1.00 0.00 H new ATOM 549 N ALA A 37 2.346 -20.723 -13.863 1.00 0.00 N ATOM 550 CA ALA A 37 1.232 -19.867 -13.493 1.00 0.00 C ATOM 551 C ALA A 37 0.211 -20.681 -12.696 1.00 0.00 C ATOM 552 O ALA A 37 -0.547 -21.463 -13.267 1.00 0.00 O ATOM 553 CB ALA A 37 0.626 -19.244 -14.752 1.00 0.00 C ATOM 0 H ALA A 37 2.221 -21.230 -14.739 1.00 0.00 H new ATOM 0 HA ALA A 37 1.571 -19.050 -12.856 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.210 -18.602 -14.474 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.383 -18.652 -15.266 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.272 -20.034 -15.415 1.00 0.00 H new ATOM 559 N VAL A 38 0.225 -20.470 -11.388 1.00 0.00 N ATOM 560 CA VAL A 38 -0.691 -21.175 -10.506 1.00 0.00 C ATOM 561 C VAL A 38 -2.080 -20.543 -10.610 1.00 0.00 C ATOM 562 O VAL A 38 -2.208 -19.371 -10.961 1.00 0.00 O ATOM 563 CB VAL A 38 -0.142 -21.181 -9.078 1.00 0.00 C ATOM 564 CG1 VAL A 38 -1.239 -21.531 -8.071 1.00 0.00 C ATOM 565 CG2 VAL A 38 1.045 -22.138 -8.951 1.00 0.00 C ATOM 0 H VAL A 38 0.856 -19.821 -10.917 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.785 -22.218 -10.808 1.00 0.00 H new ATOM 0 HB VAL A 38 0.213 -20.176 -8.851 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.823 -21.528 -7.064 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.040 -20.794 -8.134 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.638 -22.520 -8.296 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.416 -22.123 -7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.727 -23.149 -9.207 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.839 -21.825 -9.629 1.00 0.00 H new ATOM 575 N GLY A 39 -3.086 -21.347 -10.299 1.00 0.00 N ATOM 576 CA GLY A 39 -4.461 -20.881 -10.353 1.00 0.00 C ATOM 577 C GLY A 39 -5.431 -22.053 -10.515 1.00 0.00 C ATOM 578 O GLY A 39 -5.746 -22.741 -9.545 1.00 0.00 O ATOM 0 H GLY A 39 -2.976 -22.319 -10.009 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.698 -20.331 -9.442 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.581 -20.187 -11.185 1.00 0.00 H new ATOM 582 N GLU A 40 -5.878 -22.244 -11.748 1.00 0.00 N ATOM 583 CA GLU A 40 -6.805 -23.321 -12.049 1.00 0.00 C ATOM 584 C GLU A 40 -7.461 -23.091 -13.412 1.00 0.00 C ATOM 585 O GLU A 40 -7.926 -24.035 -14.049 1.00 0.00 O ATOM 586 CB GLU A 40 -7.860 -23.460 -10.949 1.00 0.00 C ATOM 587 CG GLU A 40 -7.659 -24.754 -10.158 1.00 0.00 C ATOM 588 CD GLU A 40 -8.866 -25.041 -9.262 1.00 0.00 C ATOM 589 OE1 GLU A 40 -9.353 -24.136 -8.569 1.00 0.00 O ATOM 590 OE2 GLU A 40 -9.298 -26.256 -9.303 1.00 0.00 O ATOM 0 H GLU A 40 -5.615 -21.671 -12.550 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.245 -24.255 -12.090 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.803 -22.605 -10.275 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.856 -23.451 -11.392 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.506 -25.585 -10.846 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.759 -24.676 -9.548 1.00 0.00 H new ATOM 598 N LEU A 41 -7.478 -21.830 -13.819 1.00 0.00 N ATOM 599 CA LEU A 41 -8.070 -21.464 -15.095 1.00 0.00 C ATOM 600 C LEU A 41 -7.777 -22.560 -16.121 1.00 0.00 C ATOM 601 O LEU A 41 -8.698 -23.167 -16.666 1.00 0.00 O ATOM 602 CB LEU A 41 -7.595 -20.075 -15.527 1.00 0.00 C ATOM 603 CG LEU A 41 -8.131 -19.569 -16.867 1.00 0.00 C ATOM 604 CD1 LEU A 41 -9.591 -19.127 -16.743 1.00 0.00 C ATOM 605 CD2 LEU A 41 -7.242 -18.459 -17.430 1.00 0.00 C ATOM 0 H LEU A 41 -7.092 -21.049 -13.288 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.154 -21.392 -15.005 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.875 -19.360 -14.753 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.506 -20.084 -15.574 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.104 -20.394 -17.578 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.947 -18.772 -17.710 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.200 -19.971 -16.420 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.667 -18.323 -16.011 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.646 -18.117 -18.383 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.213 -17.625 -16.729 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.233 -18.842 -17.580 1.00 0.00 H new ATOM 617 N PHE A 42 -6.492 -22.780 -16.355 1.00 0.00 N ATOM 618 CA PHE A 42 -6.067 -23.793 -17.306 1.00 0.00 C ATOM 619 C PHE A 42 -5.869 -25.144 -16.617 1.00 0.00 C ATOM 620 O PHE A 42 -4.931 -25.875 -16.933 1.00 0.00 O ATOM 621 CB PHE A 42 -4.729 -23.329 -17.885 1.00 0.00 C ATOM 622 CG PHE A 42 -4.850 -22.180 -18.889 1.00 0.00 C ATOM 623 CD1 PHE A 42 -5.856 -22.179 -19.803 1.00 0.00 C ATOM 624 CD2 PHE A 42 -3.951 -21.160 -18.866 1.00 0.00 C ATOM 625 CE1 PHE A 42 -5.969 -21.113 -20.734 1.00 0.00 C ATOM 626 CE2 PHE A 42 -4.063 -20.093 -19.797 1.00 0.00 C ATOM 627 CZ PHE A 42 -5.070 -20.092 -20.711 1.00 0.00 C ATOM 0 H PHE A 42 -5.731 -22.274 -15.902 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.825 -23.918 -18.080 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.080 -23.016 -17.067 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.243 -24.174 -18.372 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.570 -22.989 -19.821 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.152 -21.161 -18.140 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.768 -21.113 -21.460 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.349 -19.283 -19.779 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.156 -19.281 -21.419 1.00 0.00 H new ATOM 637 N ASP A 43 -6.768 -25.436 -15.689 1.00 0.00 N ATOM 638 CA ASP A 43 -6.705 -26.687 -14.952 1.00 0.00 C ATOM 639 C ASP A 43 -7.336 -27.800 -15.791 1.00 0.00 C ATOM 640 O ASP A 43 -8.424 -28.279 -15.475 1.00 0.00 O ATOM 641 CB ASP A 43 -7.478 -26.591 -13.635 1.00 0.00 C ATOM 642 CG ASP A 43 -8.985 -26.375 -13.784 1.00 0.00 C ATOM 643 OD1 ASP A 43 -9.757 -26.586 -12.837 1.00 0.00 O ATOM 644 OD2 ASP A 43 -9.365 -25.966 -14.948 1.00 0.00 O ATOM 0 H ASP A 43 -7.545 -24.828 -15.430 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.657 -26.901 -14.740 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.312 -27.506 -13.066 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.065 -25.771 -13.048 1.00 0.00 H new ATOM 650 N GLY A 44 -6.627 -28.179 -16.843 1.00 0.00 N ATOM 651 CA GLY A 44 -7.104 -29.227 -17.729 1.00 0.00 C ATOM 652 C GLY A 44 -6.738 -28.924 -19.184 1.00 0.00 C ATOM 653 O GLY A 44 -6.743 -29.818 -20.028 1.00 0.00 O ATOM 0 H GLY A 44 -5.725 -27.779 -17.102 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.672 -30.183 -17.433 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.186 -29.323 -17.635 1.00 0.00 H new ATOM 657 N MET A 45 -6.429 -27.660 -19.432 1.00 0.00 N ATOM 658 CA MET A 45 -6.062 -27.228 -20.769 1.00 0.00 C ATOM 659 C MET A 45 -4.930 -28.089 -21.332 1.00 0.00 C ATOM 660 O MET A 45 -4.074 -28.562 -20.586 1.00 0.00 O ATOM 661 CB MET A 45 -5.618 -25.764 -20.729 1.00 0.00 C ATOM 662 CG MET A 45 -5.176 -25.287 -22.114 1.00 0.00 C ATOM 663 SD MET A 45 -6.597 -25.099 -23.177 1.00 0.00 S ATOM 664 CE MET A 45 -6.945 -23.366 -22.926 1.00 0.00 C ATOM 0 H MET A 45 -6.425 -26.921 -18.729 1.00 0.00 H new ATOM 0 HA MET A 45 -6.932 -27.336 -21.417 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.438 -25.141 -20.370 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.797 -25.648 -20.021 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.647 -24.338 -22.029 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.478 -26.003 -22.549 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.610 -23.011 -23.713 1.00 0.00 H new ATOM 0 HE2 MET A 45 -7.424 -23.228 -21.957 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.014 -22.800 -22.955 1.00 0.00 H new ATOM 674 N SER A 46 -4.962 -28.268 -22.645 1.00 0.00 N ATOM 675 CA SER A 46 -3.950 -29.065 -23.317 1.00 0.00 C ATOM 676 C SER A 46 -2.594 -28.359 -23.244 1.00 0.00 C ATOM 677 O SER A 46 -2.441 -27.249 -23.750 1.00 0.00 O ATOM 678 CB SER A 46 -4.333 -29.328 -24.774 1.00 0.00 C ATOM 679 OG SER A 46 -3.489 -30.303 -25.381 1.00 0.00 O ATOM 0 H SER A 46 -5.673 -27.874 -23.261 1.00 0.00 H new ATOM 0 HA SER A 46 -3.880 -30.027 -22.809 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.368 -29.665 -24.821 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.275 -28.397 -25.338 1.00 0.00 H new ATOM 0 HG SER A 46 -3.767 -30.444 -26.310 1.00 0.00 H new ATOM 685 N ARG A 47 -1.646 -29.031 -22.609 1.00 0.00 N ATOM 686 CA ARG A 47 -0.308 -28.482 -22.463 1.00 0.00 C ATOM 687 C ARG A 47 0.104 -27.744 -23.738 1.00 0.00 C ATOM 688 O ARG A 47 0.866 -26.780 -23.683 1.00 0.00 O ATOM 689 CB ARG A 47 0.711 -29.584 -22.167 1.00 0.00 C ATOM 690 CG ARG A 47 2.120 -29.005 -22.027 1.00 0.00 C ATOM 691 CD ARG A 47 3.174 -30.114 -22.060 1.00 0.00 C ATOM 692 NE ARG A 47 3.426 -30.531 -23.457 1.00 0.00 N ATOM 693 CZ ARG A 47 3.989 -29.739 -24.394 1.00 0.00 C ATOM 694 NH1 ARG A 47 4.363 -28.478 -24.090 1.00 0.00 N ATOM 695 NH2 ARG A 47 4.168 -30.216 -25.612 1.00 0.00 N ATOM 0 H ARG A 47 -1.777 -29.951 -22.189 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.325 -27.785 -21.625 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.434 -30.103 -21.249 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.696 -30.323 -22.968 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.308 -28.296 -22.833 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.198 -28.452 -21.091 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.099 -29.761 -21.605 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.835 -30.967 -21.473 1.00 0.00 H new ATOM 0 HE ARG A 47 3.157 -31.477 -23.729 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.221 -28.117 -23.147 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.788 -27.886 -24.804 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.882 -31.170 -25.833 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.592 -29.631 -26.332 1.00 0.00 H new ATOM 708 N VAL A 48 -0.417 -28.225 -24.857 1.00 0.00 N ATOM 709 CA VAL A 48 -0.113 -27.623 -26.144 1.00 0.00 C ATOM 710 C VAL A 48 -0.872 -26.301 -26.276 1.00 0.00 C ATOM 711 O VAL A 48 -0.272 -25.260 -26.538 1.00 0.00 O ATOM 712 CB VAL A 48 -0.428 -28.609 -27.271 1.00 0.00 C ATOM 713 CG1 VAL A 48 -0.280 -27.942 -28.640 1.00 0.00 C ATOM 714 CG2 VAL A 48 0.452 -29.856 -27.170 1.00 0.00 C ATOM 0 H VAL A 48 -1.048 -29.025 -24.899 1.00 0.00 H new ATOM 0 HA VAL A 48 0.951 -27.396 -26.218 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.466 -28.922 -27.162 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.509 -28.664 -29.423 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.968 -27.099 -28.710 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.743 -27.586 -28.763 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.208 -30.540 -27.983 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.501 -29.568 -27.241 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.275 -30.350 -26.214 1.00 0.00 H new ATOM 724 N LYS A 49 -2.181 -26.386 -26.089 1.00 0.00 N ATOM 725 CA LYS A 49 -3.028 -25.209 -26.184 1.00 0.00 C ATOM 726 C LYS A 49 -2.616 -24.201 -25.109 1.00 0.00 C ATOM 727 O LYS A 49 -2.599 -22.997 -25.356 1.00 0.00 O ATOM 728 CB LYS A 49 -4.504 -25.606 -26.122 1.00 0.00 C ATOM 729 CG LYS A 49 -5.321 -24.845 -27.168 1.00 0.00 C ATOM 730 CD LYS A 49 -6.068 -23.670 -26.533 1.00 0.00 C ATOM 731 CE LYS A 49 -6.893 -22.916 -27.577 1.00 0.00 C ATOM 732 NZ LYS A 49 -8.283 -23.423 -27.604 1.00 0.00 N ATOM 0 H LYS A 49 -2.676 -27.251 -25.872 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.893 -24.719 -27.148 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.603 -26.679 -26.288 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.898 -25.400 -25.127 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.661 -24.478 -27.954 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.034 -25.521 -27.640 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.723 -24.036 -25.742 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.355 -22.990 -26.068 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.893 -21.850 -27.349 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.438 -23.031 -28.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.829 -22.900 -28.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.279 -24.435 -27.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.719 -23.290 -26.669 1.00 0.00 H new ATOM 745 N LYS A 50 -2.295 -24.731 -23.938 1.00 0.00 N ATOM 746 CA LYS A 50 -1.885 -23.893 -22.824 1.00 0.00 C ATOM 747 C LYS A 50 -0.646 -23.089 -23.226 1.00 0.00 C ATOM 748 O LYS A 50 -0.686 -21.861 -23.267 1.00 0.00 O ATOM 749 CB LYS A 50 -1.688 -24.737 -21.563 1.00 0.00 C ATOM 750 CG LYS A 50 -2.285 -24.039 -20.339 1.00 0.00 C ATOM 751 CD LYS A 50 -1.826 -24.715 -19.045 1.00 0.00 C ATOM 752 CE LYS A 50 -2.415 -26.122 -18.923 1.00 0.00 C ATOM 753 NZ LYS A 50 -1.635 -26.929 -17.958 1.00 0.00 N ATOM 0 H LYS A 50 -2.311 -25.731 -23.736 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.667 -23.174 -22.579 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.158 -25.712 -21.696 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.625 -24.915 -21.402 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.986 -22.991 -20.332 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.373 -24.060 -20.398 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.738 -24.770 -19.025 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.131 -24.114 -18.188 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.454 -26.061 -18.599 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.414 -26.609 -19.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.252 -27.648 -17.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.850 -27.398 -18.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.255 -26.309 -17.214 1.00 0.00 H new ATOM 766 N GLN A 51 0.424 -23.816 -23.512 1.00 0.00 N ATOM 767 CA GLN A 51 1.672 -23.186 -23.909 1.00 0.00 C ATOM 768 C GLN A 51 1.484 -22.411 -25.215 1.00 0.00 C ATOM 769 O GLN A 51 2.284 -21.537 -25.543 1.00 0.00 O ATOM 770 CB GLN A 51 2.791 -24.221 -24.042 1.00 0.00 C ATOM 771 CG GLN A 51 3.903 -23.959 -23.024 1.00 0.00 C ATOM 772 CD GLN A 51 5.122 -23.323 -23.696 1.00 0.00 C ATOM 773 OE1 GLN A 51 5.113 -22.988 -24.869 1.00 0.00 O ATOM 774 NE2 GLN A 51 6.169 -23.176 -22.889 1.00 0.00 N ATOM 0 H GLN A 51 0.453 -24.835 -23.477 1.00 0.00 H new ATOM 0 HA GLN A 51 1.964 -22.482 -23.130 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.385 -25.222 -23.894 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.202 -24.190 -25.051 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.533 -23.302 -22.237 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.193 -24.895 -22.548 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.110 -23.478 -21.917 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.031 -22.761 -23.243 1.00 0.00 H new ATOM 783 N GLN A 52 0.421 -22.761 -25.925 1.00 0.00 N ATOM 784 CA GLN A 52 0.117 -22.109 -27.187 1.00 0.00 C ATOM 785 C GLN A 52 -0.391 -20.687 -26.942 1.00 0.00 C ATOM 786 O GLN A 52 0.064 -19.742 -27.585 1.00 0.00 O ATOM 787 CB GLN A 52 -0.897 -22.923 -27.994 1.00 0.00 C ATOM 788 CG GLN A 52 -1.287 -22.192 -29.280 1.00 0.00 C ATOM 789 CD GLN A 52 -1.987 -23.139 -30.258 1.00 0.00 C ATOM 790 OE1 GLN A 52 -1.394 -23.662 -31.187 1.00 0.00 O ATOM 791 NE2 GLN A 52 -3.277 -23.328 -29.998 1.00 0.00 N ATOM 0 H GLN A 52 -0.240 -23.488 -25.650 1.00 0.00 H new ATOM 0 HA GLN A 52 1.034 -22.049 -27.773 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.474 -23.897 -28.239 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.786 -23.104 -27.390 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.946 -21.357 -29.042 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.397 -21.772 -29.748 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.711 -22.859 -29.203 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.833 -23.942 -30.593 1.00 0.00 H new ATOM 800 N THR A 53 -1.328 -20.580 -26.012 1.00 0.00 N ATOM 801 CA THR A 53 -1.902 -19.289 -25.674 1.00 0.00 C ATOM 802 C THR A 53 -1.035 -18.574 -24.636 1.00 0.00 C ATOM 803 O THR A 53 -1.122 -17.357 -24.481 1.00 0.00 O ATOM 804 CB THR A 53 -3.342 -19.519 -25.209 1.00 0.00 C ATOM 805 OG1 THR A 53 -4.099 -19.530 -26.415 1.00 0.00 O ATOM 806 CG2 THR A 53 -3.902 -18.329 -24.427 1.00 0.00 C ATOM 0 H THR A 53 -1.704 -21.366 -25.482 1.00 0.00 H new ATOM 0 HA THR A 53 -1.926 -18.628 -26.541 1.00 0.00 H new ATOM 0 HB THR A 53 -3.384 -20.413 -24.587 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.045 -19.676 -26.206 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.926 -18.544 -24.121 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.288 -18.153 -23.544 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.891 -17.441 -25.059 1.00 0.00 H new ATOM 814 N VAL A 54 -0.219 -19.361 -23.950 1.00 0.00 N ATOM 815 CA VAL A 54 0.663 -18.819 -22.931 1.00 0.00 C ATOM 816 C VAL A 54 1.944 -18.305 -23.592 1.00 0.00 C ATOM 817 O VAL A 54 2.398 -17.200 -23.297 1.00 0.00 O ATOM 818 CB VAL A 54 0.928 -19.873 -21.854 1.00 0.00 C ATOM 819 CG1 VAL A 54 1.932 -19.359 -20.820 1.00 0.00 C ATOM 820 CG2 VAL A 54 -0.375 -20.310 -21.182 1.00 0.00 C ATOM 0 H VAL A 54 -0.150 -20.370 -24.080 1.00 0.00 H new ATOM 0 HA VAL A 54 0.193 -17.972 -22.430 1.00 0.00 H new ATOM 0 HB VAL A 54 1.364 -20.746 -22.340 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.103 -20.127 -20.066 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.874 -19.120 -21.315 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.536 -18.463 -20.342 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.158 -21.059 -20.421 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.851 -19.447 -20.717 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.045 -20.735 -21.929 1.00 0.00 H new ATOM 830 N TYR A 55 2.489 -19.130 -24.473 1.00 0.00 N ATOM 831 CA TYR A 55 3.708 -18.773 -25.179 1.00 0.00 C ATOM 832 C TYR A 55 3.397 -17.942 -26.425 1.00 0.00 C ATOM 833 O TYR A 55 4.167 -17.056 -26.793 1.00 0.00 O ATOM 834 CB TYR A 55 4.350 -20.094 -25.607 1.00 0.00 C ATOM 835 CG TYR A 55 5.854 -19.998 -25.871 1.00 0.00 C ATOM 836 CD1 TYR A 55 6.674 -19.357 -24.965 1.00 0.00 C ATOM 837 CD2 TYR A 55 6.391 -20.552 -27.016 1.00 0.00 C ATOM 838 CE1 TYR A 55 8.090 -19.267 -25.214 1.00 0.00 C ATOM 839 CE2 TYR A 55 7.806 -20.462 -27.265 1.00 0.00 C ATOM 840 CZ TYR A 55 8.586 -19.824 -26.351 1.00 0.00 C ATOM 841 OH TYR A 55 9.923 -19.738 -26.586 1.00 0.00 O ATOM 0 H TYR A 55 2.109 -20.045 -24.714 1.00 0.00 H new ATOM 0 HA TYR A 55 4.361 -18.179 -24.540 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.174 -20.840 -24.831 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.855 -20.451 -26.510 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.254 -18.923 -24.070 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.749 -21.053 -27.725 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.743 -18.768 -24.513 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.238 -20.891 -28.157 1.00 0.00 H new ATOM 0 HH TYR A 55 10.135 -20.181 -27.434 1.00 0.00 H new ATOM 851 N GLY A 56 2.268 -18.259 -27.041 1.00 0.00 N ATOM 852 CA GLY A 56 1.845 -17.553 -28.239 1.00 0.00 C ATOM 853 C GLY A 56 2.098 -16.050 -28.108 1.00 0.00 C ATOM 854 O GLY A 56 2.703 -15.439 -28.987 1.00 0.00 O ATOM 0 H GLY A 56 1.633 -18.995 -26.733 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.383 -17.942 -29.104 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.785 -17.733 -28.416 1.00 0.00 H new ATOM 858 N PRO A 57 1.610 -15.482 -26.973 1.00 0.00 N ATOM 859 CA PRO A 57 1.777 -14.062 -26.715 1.00 0.00 C ATOM 860 C PRO A 57 3.214 -13.746 -26.295 1.00 0.00 C ATOM 861 O PRO A 57 3.894 -12.953 -26.945 1.00 0.00 O ATOM 862 CB PRO A 57 0.758 -13.735 -25.635 1.00 0.00 C ATOM 863 CG PRO A 57 0.383 -15.065 -25.001 1.00 0.00 C ATOM 864 CD PRO A 57 0.888 -16.174 -25.909 1.00 0.00 C ATOM 0 HA PRO A 57 1.608 -13.451 -27.602 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.178 -13.054 -24.895 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.118 -13.244 -26.060 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.826 -15.153 -24.009 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.697 -15.137 -24.876 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.540 -16.861 -25.370 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.064 -16.765 -26.309 1.00 0.00 H new ATOM 872 N LEU A 58 3.634 -14.382 -25.212 1.00 0.00 N ATOM 873 CA LEU A 58 4.978 -14.179 -24.698 1.00 0.00 C ATOM 874 C LEU A 58 5.949 -15.097 -25.445 1.00 0.00 C ATOM 875 O LEU A 58 6.853 -15.671 -24.841 1.00 0.00 O ATOM 876 CB LEU A 58 5.004 -14.362 -23.179 1.00 0.00 C ATOM 877 CG LEU A 58 4.769 -15.785 -22.670 1.00 0.00 C ATOM 878 CD1 LEU A 58 6.082 -16.431 -22.223 1.00 0.00 C ATOM 879 CD2 LEU A 58 3.714 -15.805 -21.563 1.00 0.00 C ATOM 0 H LEU A 58 3.067 -15.039 -24.676 1.00 0.00 H new ATOM 0 HA LEU A 58 5.304 -13.155 -24.878 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.970 -14.020 -22.808 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.247 -13.711 -22.742 1.00 0.00 H new ATOM 0 HG LEU A 58 4.380 -16.383 -23.495 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.887 -17.442 -21.866 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.773 -16.471 -23.065 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.523 -15.841 -21.419 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.567 -16.829 -21.219 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.049 -15.187 -20.730 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.773 -15.413 -21.950 1.00 0.00 H new ATOM 891 N MET A 59 5.727 -15.205 -26.746 1.00 0.00 N ATOM 892 CA MET A 59 6.571 -16.043 -27.581 1.00 0.00 C ATOM 893 C MET A 59 7.787 -15.265 -28.087 1.00 0.00 C ATOM 894 O MET A 59 8.896 -15.796 -28.127 1.00 0.00 O ATOM 895 CB MET A 59 5.761 -16.556 -28.774 1.00 0.00 C ATOM 896 CG MET A 59 5.733 -18.086 -28.800 1.00 0.00 C ATOM 897 SD MET A 59 6.078 -18.675 -30.449 1.00 0.00 S ATOM 898 CE MET A 59 7.861 -18.577 -30.446 1.00 0.00 C ATOM 0 H MET A 59 4.975 -14.727 -27.243 1.00 0.00 H new ATOM 0 HA MET A 59 6.924 -16.882 -26.982 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.743 -16.171 -28.719 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.195 -16.181 -29.701 1.00 0.00 H new ATOM 0 HG2 MET A 59 6.470 -18.483 -28.102 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.757 -18.446 -28.473 1.00 0.00 H new ATOM 0 HE1 MET A 59 8.224 -18.525 -31.472 1.00 0.00 H new ATOM 0 HE2 MET A 59 8.175 -17.685 -29.904 1.00 0.00 H new ATOM 0 HE3 MET A 59 8.273 -19.461 -29.960 1.00 0.00 H new ATOM 908 N GLU A 60 7.539 -14.018 -28.461 1.00 0.00 N ATOM 909 CA GLU A 60 8.599 -13.161 -28.963 1.00 0.00 C ATOM 910 C GLU A 60 9.583 -12.822 -27.841 1.00 0.00 C ATOM 911 O GLU A 60 10.727 -13.275 -27.856 1.00 0.00 O ATOM 912 CB GLU A 60 8.026 -11.890 -29.592 1.00 0.00 C ATOM 913 CG GLU A 60 8.000 -11.997 -31.118 1.00 0.00 C ATOM 914 CD GLU A 60 6.730 -12.704 -31.597 1.00 0.00 C ATOM 915 OE1 GLU A 60 6.607 -13.928 -31.446 1.00 0.00 O ATOM 916 OE2 GLU A 60 5.850 -11.933 -32.141 1.00 0.00 O ATOM 0 H GLU A 60 6.618 -13.581 -28.426 1.00 0.00 H new ATOM 0 HA GLU A 60 9.137 -13.701 -29.742 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.016 -11.719 -29.219 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.626 -11.030 -29.294 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.053 -11.001 -31.557 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.877 -12.544 -31.463 1.00 0.00 H new ATOM 924 N TYR A 61 9.102 -12.029 -26.896 1.00 0.00 N ATOM 925 CA TYR A 61 9.925 -11.624 -25.769 1.00 0.00 C ATOM 926 C TYR A 61 10.818 -12.775 -25.300 1.00 0.00 C ATOM 927 O TYR A 61 11.985 -12.566 -24.973 1.00 0.00 O ATOM 928 CB TYR A 61 8.952 -11.259 -24.646 1.00 0.00 C ATOM 929 CG TYR A 61 9.628 -10.986 -23.301 1.00 0.00 C ATOM 930 CD1 TYR A 61 10.371 -9.837 -23.122 1.00 0.00 C ATOM 931 CD2 TYR A 61 9.495 -11.889 -22.265 1.00 0.00 C ATOM 932 CE1 TYR A 61 11.007 -9.580 -21.856 1.00 0.00 C ATOM 933 CE2 TYR A 61 10.131 -11.632 -20.999 1.00 0.00 C ATOM 934 CZ TYR A 61 10.856 -10.491 -20.857 1.00 0.00 C ATOM 935 OH TYR A 61 11.457 -10.248 -19.662 1.00 0.00 O ATOM 0 H TYR A 61 8.153 -11.656 -26.887 1.00 0.00 H new ATOM 0 HA TYR A 61 10.574 -10.793 -26.047 1.00 0.00 H new ATOM 0 HB2 TYR A 61 8.386 -10.376 -24.942 1.00 0.00 H new ATOM 0 HB3 TYR A 61 8.235 -12.071 -24.522 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.476 -9.130 -23.932 1.00 0.00 H new ATOM 0 HD2 TYR A 61 8.914 -12.788 -22.404 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.591 -8.684 -21.703 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.034 -12.330 -20.181 1.00 0.00 H new ATOM 0 HH TYR A 61 11.263 -10.982 -19.043 1.00 0.00 H new ATOM 945 N ILE A 62 10.234 -13.964 -25.282 1.00 0.00 N ATOM 946 CA ILE A 62 10.962 -15.149 -24.859 1.00 0.00 C ATOM 947 C ILE A 62 11.989 -15.520 -25.930 1.00 0.00 C ATOM 948 O ILE A 62 13.154 -15.767 -25.619 1.00 0.00 O ATOM 949 CB ILE A 62 9.991 -16.281 -24.518 1.00 0.00 C ATOM 950 CG1 ILE A 62 8.999 -15.846 -23.437 1.00 0.00 C ATOM 951 CG2 ILE A 62 10.747 -17.552 -24.125 1.00 0.00 C ATOM 952 CD1 ILE A 62 9.692 -15.712 -22.080 1.00 0.00 C ATOM 0 H ILE A 62 9.265 -14.133 -25.553 1.00 0.00 H new ATOM 0 HA ILE A 62 11.516 -14.949 -23.942 1.00 0.00 H new ATOM 0 HB ILE A 62 9.411 -16.514 -25.411 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.548 -14.894 -23.715 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.190 -16.573 -23.366 1.00 0.00 H new ATOM 0 HG21 ILE A 62 10.033 -18.341 -23.887 1.00 0.00 H new ATOM 0 HG22 ILE A 62 11.378 -17.871 -24.954 1.00 0.00 H new ATOM 0 HG23 ILE A 62 11.369 -17.350 -23.253 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.965 -15.402 -21.329 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.121 -16.672 -21.794 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.484 -14.966 -22.148 1.00 0.00 H new ATOM 964 N ALA A 63 11.521 -15.549 -27.169 1.00 0.00 N ATOM 965 CA ALA A 63 12.384 -15.887 -28.288 1.00 0.00 C ATOM 966 C ALA A 63 13.730 -15.179 -28.120 1.00 0.00 C ATOM 967 O ALA A 63 14.779 -15.758 -28.397 1.00 0.00 O ATOM 968 CB ALA A 63 11.690 -15.515 -29.599 1.00 0.00 C ATOM 0 H ALA A 63 10.555 -15.344 -27.423 1.00 0.00 H new ATOM 0 HA ALA A 63 12.576 -16.960 -28.314 1.00 0.00 H new ATOM 0 HB1 ALA A 63 12.338 -15.769 -30.438 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.753 -16.066 -29.684 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.484 -14.445 -29.611 1.00 0.00 H new ATOM 974 N ASP A 64 13.656 -13.936 -27.666 1.00 0.00 N ATOM 975 CA ASP A 64 14.856 -13.143 -27.458 1.00 0.00 C ATOM 976 C ASP A 64 15.505 -13.546 -26.132 1.00 0.00 C ATOM 977 O ASP A 64 16.727 -13.658 -26.044 1.00 0.00 O ATOM 978 CB ASP A 64 14.525 -11.651 -27.387 1.00 0.00 C ATOM 979 CG ASP A 64 15.573 -10.726 -28.007 1.00 0.00 C ATOM 980 OD1 ASP A 64 15.938 -10.871 -29.183 1.00 0.00 O ATOM 981 OD2 ASP A 64 16.028 -9.811 -27.219 1.00 0.00 O ATOM 0 H ASP A 64 12.784 -13.459 -27.437 1.00 0.00 H new ATOM 0 HA ASP A 64 15.529 -13.324 -28.296 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.571 -11.482 -27.887 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.390 -11.373 -26.342 1.00 0.00 H new ATOM 987 N ASN A 65 14.658 -13.754 -25.134 1.00 0.00 N ATOM 988 CA ASN A 65 15.134 -14.142 -23.818 1.00 0.00 C ATOM 989 C ASN A 65 15.927 -15.446 -23.931 1.00 0.00 C ATOM 990 O ASN A 65 16.688 -15.794 -23.029 1.00 0.00 O ATOM 991 CB ASN A 65 13.966 -14.381 -22.858 1.00 0.00 C ATOM 992 CG ASN A 65 14.424 -14.285 -21.402 1.00 0.00 C ATOM 993 OD1 ASN A 65 14.052 -13.387 -20.665 1.00 0.00 O ATOM 994 ND2 ASN A 65 15.251 -15.258 -21.030 1.00 0.00 N ATOM 0 H ASN A 65 13.645 -13.661 -25.211 1.00 0.00 H new ATOM 0 HA ASN A 65 15.758 -13.335 -23.434 1.00 0.00 H new ATOM 0 HB2 ASN A 65 13.181 -13.648 -23.045 1.00 0.00 H new ATOM 0 HB3 ASN A 65 13.534 -15.365 -23.043 1.00 0.00 H new ATOM 0 HD21 ASN A 65 15.614 -15.283 -20.077 1.00 0.00 H new ATOM 0 HD22 ASN A 65 15.523 -15.980 -21.698 1.00 0.00 H new ATOM 1001 N ARG A 66 15.722 -16.131 -25.046 1.00 0.00 N ATOM 1002 CA ARG A 66 16.408 -17.389 -25.289 1.00 0.00 C ATOM 1003 C ARG A 66 17.809 -17.356 -24.674 1.00 0.00 C ATOM 1004 O ARG A 66 18.300 -18.373 -24.186 1.00 0.00 O ATOM 1005 CB ARG A 66 16.522 -17.673 -26.788 1.00 0.00 C ATOM 1006 CG ARG A 66 17.068 -19.081 -27.038 1.00 0.00 C ATOM 1007 CD ARG A 66 17.470 -19.260 -28.503 1.00 0.00 C ATOM 1008 NE ARG A 66 18.600 -20.211 -28.605 1.00 0.00 N ATOM 1009 CZ ARG A 66 18.455 -21.548 -28.719 1.00 0.00 C ATOM 1010 NH1 ARG A 66 17.225 -22.105 -28.746 1.00 0.00 N ATOM 1011 NH2 ARG A 66 19.534 -22.304 -28.803 1.00 0.00 N ATOM 0 H ARG A 66 15.090 -15.839 -25.792 1.00 0.00 H new ATOM 0 HA ARG A 66 15.822 -18.182 -24.825 1.00 0.00 H new ATOM 0 HB2 ARG A 66 15.544 -17.570 -27.257 1.00 0.00 H new ATOM 0 HB3 ARG A 66 17.178 -16.937 -27.253 1.00 0.00 H new ATOM 0 HG2 ARG A 66 17.930 -19.260 -26.396 1.00 0.00 H new ATOM 0 HG3 ARG A 66 16.313 -19.821 -26.771 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.621 -19.628 -29.079 1.00 0.00 H new ATOM 0 HD3 ARG A 66 17.753 -18.298 -28.931 1.00 0.00 H new ATOM 0 HE ARG A 66 19.547 -19.832 -28.588 1.00 0.00 H new ATOM 0 HH11 ARG A 66 16.396 -21.514 -28.680 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.125 -23.116 -28.832 1.00 0.00 H new ATOM 0 HH21 ARG A 66 20.460 -21.876 -28.781 1.00 0.00 H new ATOM 0 HH22 ARG A 66 19.442 -23.316 -28.890 1.00 0.00 H new ATOM 1024 N ILE A 67 18.412 -16.177 -24.718 1.00 0.00 N ATOM 1025 CA ILE A 67 19.746 -15.999 -24.171 1.00 0.00 C ATOM 1026 C ILE A 67 19.874 -16.802 -22.875 1.00 0.00 C ATOM 1027 O ILE A 67 20.959 -17.272 -22.536 1.00 0.00 O ATOM 1028 CB ILE A 67 20.063 -14.511 -24.006 1.00 0.00 C ATOM 1029 CG1 ILE A 67 19.029 -13.826 -23.112 1.00 0.00 C ATOM 1030 CG2 ILE A 67 20.190 -13.824 -25.367 1.00 0.00 C ATOM 1031 CD1 ILE A 67 19.523 -12.452 -22.655 1.00 0.00 C ATOM 0 H ILE A 67 18.001 -15.336 -25.124 1.00 0.00 H new ATOM 0 HA ILE A 67 20.495 -16.387 -24.861 1.00 0.00 H new ATOM 0 HB ILE A 67 21.028 -14.420 -23.508 1.00 0.00 H new ATOM 0 HG12 ILE A 67 18.090 -13.717 -23.654 1.00 0.00 H new ATOM 0 HG13 ILE A 67 18.824 -14.450 -22.242 1.00 0.00 H new ATOM 0 HG21 ILE A 67 20.415 -12.768 -25.222 1.00 0.00 H new ATOM 0 HG22 ILE A 67 20.993 -14.291 -25.937 1.00 0.00 H new ATOM 0 HG23 ILE A 67 19.252 -13.923 -25.913 1.00 0.00 H new ATOM 0 HD11 ILE A 67 18.769 -11.987 -22.021 1.00 0.00 H new ATOM 0 HD12 ILE A 67 20.449 -12.567 -22.092 1.00 0.00 H new ATOM 0 HD13 ILE A 67 19.703 -11.822 -23.526 1.00 0.00 H new ATOM 1043 N HIS A 68 18.750 -16.936 -22.187 1.00 0.00 N ATOM 1044 CA HIS A 68 18.722 -17.674 -20.935 1.00 0.00 C ATOM 1045 C HIS A 68 17.761 -18.857 -21.059 1.00 0.00 C ATOM 1046 O HIS A 68 17.628 -19.445 -22.132 1.00 0.00 O ATOM 1047 CB HIS A 68 18.377 -16.749 -19.766 1.00 0.00 C ATOM 1048 CG HIS A 68 19.112 -15.430 -19.789 1.00 0.00 C ATOM 1049 ND1 HIS A 68 20.483 -15.339 -19.955 1.00 0.00 N ATOM 1050 CD2 HIS A 68 18.653 -14.152 -19.665 1.00 0.00 C ATOM 1051 CE1 HIS A 68 20.823 -14.059 -19.929 1.00 0.00 C ATOM 1052 NE2 HIS A 68 19.688 -13.325 -19.749 1.00 0.00 N ATOM 0 H HIS A 68 17.852 -16.546 -22.472 1.00 0.00 H new ATOM 0 HA HIS A 68 19.713 -18.076 -20.723 1.00 0.00 H new ATOM 0 HB2 HIS A 68 17.304 -16.556 -19.773 1.00 0.00 H new ATOM 0 HB3 HIS A 68 18.602 -17.262 -18.831 1.00 0.00 H new ATOM 0 HD2 HIS A 68 17.622 -13.862 -19.523 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.824 -13.666 -20.032 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.642 -12.308 -19.689 1.00 0.00 H new ATOM 1060 N ALA A 69 17.114 -19.172 -19.946 1.00 0.00 N ATOM 1061 CA ALA A 69 16.168 -20.275 -19.917 1.00 0.00 C ATOM 1062 C ALA A 69 14.938 -19.865 -19.105 1.00 0.00 C ATOM 1063 O ALA A 69 14.970 -19.874 -17.876 1.00 0.00 O ATOM 1064 CB ALA A 69 16.853 -21.520 -19.349 1.00 0.00 C ATOM 0 H ALA A 69 17.226 -18.683 -19.058 1.00 0.00 H new ATOM 0 HA ALA A 69 15.832 -20.519 -20.925 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.144 -22.347 -19.327 1.00 0.00 H new ATOM 0 HB2 ALA A 69 17.702 -21.787 -19.978 1.00 0.00 H new ATOM 0 HB3 ALA A 69 17.201 -21.314 -18.337 1.00 0.00 H new ATOM 1070 N VAL A 70 13.883 -19.514 -19.826 1.00 0.00 N ATOM 1071 CA VAL A 70 12.645 -19.101 -19.188 1.00 0.00 C ATOM 1072 C VAL A 70 11.485 -19.923 -19.755 1.00 0.00 C ATOM 1073 O VAL A 70 10.982 -19.629 -20.838 1.00 0.00 O ATOM 1074 CB VAL A 70 12.447 -17.593 -19.356 1.00 0.00 C ATOM 1075 CG1 VAL A 70 13.688 -16.823 -18.902 1.00 0.00 C ATOM 1076 CG2 VAL A 70 12.084 -17.246 -20.801 1.00 0.00 C ATOM 0 H VAL A 70 13.860 -19.507 -20.846 1.00 0.00 H new ATOM 0 HA VAL A 70 12.686 -19.292 -18.116 1.00 0.00 H new ATOM 0 HB VAL A 70 11.615 -17.291 -18.720 1.00 0.00 H new ATOM 0 HG11 VAL A 70 13.521 -15.754 -19.032 1.00 0.00 H new ATOM 0 HG12 VAL A 70 13.883 -17.035 -17.851 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.546 -17.131 -19.499 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.949 -16.168 -20.893 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.885 -17.569 -21.465 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.159 -17.753 -21.075 1.00 0.00 H new ATOM 1086 N SER A 71 11.095 -20.937 -18.997 1.00 0.00 N ATOM 1087 CA SER A 71 10.004 -21.804 -19.410 1.00 0.00 C ATOM 1088 C SER A 71 8.716 -21.404 -18.688 1.00 0.00 C ATOM 1089 O SER A 71 8.643 -21.467 -17.461 1.00 0.00 O ATOM 1090 CB SER A 71 10.333 -23.273 -19.135 1.00 0.00 C ATOM 1091 OG SER A 71 11.026 -23.877 -20.224 1.00 0.00 O ATOM 0 H SER A 71 11.515 -21.178 -18.099 1.00 0.00 H new ATOM 0 HA SER A 71 9.862 -21.687 -20.484 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.941 -23.346 -18.233 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.411 -23.821 -18.943 1.00 0.00 H new ATOM 0 HG SER A 71 11.220 -24.813 -20.010 1.00 0.00 H new ATOM 1097 N ILE A 72 7.732 -21.003 -19.478 1.00 0.00 N ATOM 1098 CA ILE A 72 6.451 -20.593 -18.929 1.00 0.00 C ATOM 1099 C ILE A 72 5.409 -21.677 -19.214 1.00 0.00 C ATOM 1100 O ILE A 72 5.234 -22.089 -20.360 1.00 0.00 O ATOM 1101 CB ILE A 72 6.059 -19.211 -19.456 1.00 0.00 C ATOM 1102 CG1 ILE A 72 6.247 -18.141 -18.379 1.00 0.00 C ATOM 1103 CG2 ILE A 72 4.634 -19.219 -20.013 1.00 0.00 C ATOM 1104 CD1 ILE A 72 7.545 -17.361 -18.601 1.00 0.00 C ATOM 0 H ILE A 72 7.796 -20.953 -20.495 1.00 0.00 H new ATOM 0 HA ILE A 72 6.517 -20.489 -17.846 1.00 0.00 H new ATOM 0 HB ILE A 72 6.725 -18.959 -20.281 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.400 -17.455 -18.391 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.264 -18.610 -17.395 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.381 -18.224 -20.381 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.567 -19.936 -20.831 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.937 -19.502 -19.225 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.654 -16.607 -17.822 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.392 -18.046 -18.564 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.515 -16.874 -19.576 1.00 0.00 H new ATOM 1116 N LYS A 73 4.744 -22.107 -18.152 1.00 0.00 N ATOM 1117 CA LYS A 73 3.724 -23.135 -18.273 1.00 0.00 C ATOM 1118 C LYS A 73 2.624 -22.880 -17.242 1.00 0.00 C ATOM 1119 O LYS A 73 2.909 -22.653 -16.067 1.00 0.00 O ATOM 1120 CB LYS A 73 4.352 -24.527 -18.172 1.00 0.00 C ATOM 1121 CG LYS A 73 4.203 -25.293 -19.488 1.00 0.00 C ATOM 1122 CD LYS A 73 5.495 -26.034 -19.840 1.00 0.00 C ATOM 1123 CE LYS A 73 5.637 -27.313 -19.012 1.00 0.00 C ATOM 1124 NZ LYS A 73 6.901 -28.007 -19.343 1.00 0.00 N ATOM 0 H LYS A 73 4.892 -21.762 -17.203 1.00 0.00 H new ATOM 0 HA LYS A 73 3.255 -23.093 -19.256 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.408 -24.436 -17.918 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.877 -25.086 -17.366 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.382 -26.005 -19.408 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.947 -24.600 -20.289 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.499 -26.282 -20.902 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.351 -25.384 -19.661 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.616 -27.070 -17.950 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.791 -27.973 -19.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.981 -28.873 -18.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.906 -28.256 -20.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.705 -27.381 -19.137 1.00 0.00 H new ATOM 1137 N ALA A 74 1.388 -22.926 -17.718 1.00 0.00 N ATOM 1138 CA ALA A 74 0.243 -22.702 -16.852 1.00 0.00 C ATOM 1139 C ALA A 74 -0.155 -24.023 -16.190 1.00 0.00 C ATOM 1140 O ALA A 74 -0.387 -25.019 -16.873 1.00 0.00 O ATOM 1141 CB ALA A 74 -0.899 -22.089 -17.664 1.00 0.00 C ATOM 0 H ALA A 74 1.155 -23.115 -18.693 1.00 0.00 H new ATOM 0 HA ALA A 74 0.493 -21.997 -16.059 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.758 -21.921 -17.014 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.574 -21.139 -18.089 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.180 -22.769 -18.468 1.00 0.00 H new ATOM 1147 N TYR A 75 -0.223 -23.988 -14.867 1.00 0.00 N ATOM 1148 CA TYR A 75 -0.590 -25.169 -14.105 1.00 0.00 C ATOM 1149 C TYR A 75 -1.122 -24.787 -12.722 1.00 0.00 C ATOM 1150 O TYR A 75 -1.229 -23.605 -12.400 1.00 0.00 O ATOM 1151 CB TYR A 75 0.697 -25.979 -13.937 1.00 0.00 C ATOM 1152 CG TYR A 75 1.108 -26.761 -15.186 1.00 0.00 C ATOM 1153 CD1 TYR A 75 0.168 -27.494 -15.882 1.00 0.00 C ATOM 1154 CD2 TYR A 75 2.419 -26.733 -15.618 1.00 0.00 C ATOM 1155 CE1 TYR A 75 0.555 -28.230 -17.058 1.00 0.00 C ATOM 1156 CE2 TYR A 75 2.806 -27.469 -16.794 1.00 0.00 C ATOM 1157 CZ TYR A 75 1.855 -28.181 -17.456 1.00 0.00 C ATOM 1158 OH TYR A 75 2.220 -28.876 -18.566 1.00 0.00 O ATOM 0 H TYR A 75 -0.030 -23.160 -14.304 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.373 -25.728 -14.618 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.506 -25.303 -13.662 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.569 -26.677 -13.110 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.858 -27.516 -15.545 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.155 -26.159 -15.074 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.170 -28.808 -17.611 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.828 -27.456 -17.142 1.00 0.00 H new ATOM 0 HH TYR A 75 1.419 -29.137 -19.066 1.00 0.00 H new ATOM 1168 N THR A 76 -1.442 -25.810 -11.943 1.00 0.00 N ATOM 1169 CA THR A 76 -1.960 -25.596 -10.603 1.00 0.00 C ATOM 1170 C THR A 76 -0.814 -25.539 -9.591 1.00 0.00 C ATOM 1171 O THR A 76 0.355 -25.607 -9.967 1.00 0.00 O ATOM 1172 CB THR A 76 -2.977 -26.700 -10.307 1.00 0.00 C ATOM 1173 OG1 THR A 76 -2.214 -27.708 -9.651 1.00 0.00 O ATOM 1174 CG2 THR A 76 -3.484 -27.384 -11.578 1.00 0.00 C ATOM 0 H THR A 76 -1.352 -26.789 -12.214 1.00 0.00 H new ATOM 0 HA THR A 76 -2.469 -24.635 -10.525 1.00 0.00 H new ATOM 0 HB THR A 76 -3.821 -26.279 -9.760 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.797 -28.462 -9.422 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.203 -28.159 -11.312 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.966 -26.647 -12.220 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.645 -27.834 -12.108 1.00 0.00 H new ATOM 1182 N PRO A 77 -1.199 -25.411 -8.293 1.00 0.00 N ATOM 1183 CA PRO A 77 -0.218 -25.344 -7.223 1.00 0.00 C ATOM 1184 C PRO A 77 0.384 -26.723 -6.945 1.00 0.00 C ATOM 1185 O PRO A 77 1.577 -26.839 -6.669 1.00 0.00 O ATOM 1186 CB PRO A 77 -0.971 -24.774 -6.033 1.00 0.00 C ATOM 1187 CG PRO A 77 -2.446 -24.977 -6.337 1.00 0.00 C ATOM 1188 CD PRO A 77 -2.575 -25.327 -7.810 1.00 0.00 C ATOM 0 HA PRO A 77 0.636 -24.715 -7.474 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.688 -25.283 -5.112 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.742 -23.717 -5.896 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.857 -25.774 -5.718 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.011 -24.073 -6.109 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.101 -26.271 -7.948 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.138 -24.566 -8.350 1.00 0.00 H new ATOM 1196 N ALA A 78 -0.469 -27.734 -7.027 1.00 0.00 N ATOM 1197 CA ALA A 78 -0.036 -29.100 -6.787 1.00 0.00 C ATOM 1198 C ALA A 78 0.648 -29.642 -8.044 1.00 0.00 C ATOM 1199 O ALA A 78 1.541 -30.483 -7.956 1.00 0.00 O ATOM 1200 CB ALA A 78 -1.236 -29.949 -6.364 1.00 0.00 C ATOM 0 H ALA A 78 -1.458 -27.634 -7.256 1.00 0.00 H new ATOM 0 HA ALA A 78 0.691 -29.135 -5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.911 -30.974 -6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.668 -29.539 -5.451 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.985 -29.940 -7.155 1.00 0.00 H new ATOM 1206 N GLU A 79 0.202 -29.137 -9.186 1.00 0.00 N ATOM 1207 CA GLU A 79 0.760 -29.560 -10.459 1.00 0.00 C ATOM 1208 C GLU A 79 2.280 -29.384 -10.457 1.00 0.00 C ATOM 1209 O GLU A 79 2.997 -30.147 -11.103 1.00 0.00 O ATOM 1210 CB GLU A 79 0.120 -28.794 -11.619 1.00 0.00 C ATOM 1211 CG GLU A 79 0.581 -29.355 -12.966 1.00 0.00 C ATOM 1212 CD GLU A 79 -0.565 -30.076 -13.680 1.00 0.00 C ATOM 1213 OE1 GLU A 79 -0.485 -31.292 -13.909 1.00 0.00 O ATOM 1214 OE2 GLU A 79 -1.565 -29.327 -14.000 1.00 0.00 O ATOM 0 H GLU A 79 -0.539 -28.439 -9.256 1.00 0.00 H new ATOM 0 HA GLU A 79 0.537 -30.618 -10.598 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.966 -28.858 -11.547 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.383 -27.738 -11.551 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.953 -28.545 -13.593 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.410 -30.045 -12.812 1.00 0.00 H new ATOM 1222 N TRP A 80 2.726 -28.375 -9.724 1.00 0.00 N ATOM 1223 CA TRP A 80 4.147 -28.089 -9.630 1.00 0.00 C ATOM 1224 C TRP A 80 4.814 -29.248 -8.886 1.00 0.00 C ATOM 1225 O TRP A 80 5.887 -29.706 -9.276 1.00 0.00 O ATOM 1226 CB TRP A 80 4.391 -26.733 -8.966 1.00 0.00 C ATOM 1227 CG TRP A 80 5.369 -25.834 -9.726 1.00 0.00 C ATOM 1228 CD1 TRP A 80 5.436 -24.496 -9.719 1.00 0.00 C ATOM 1229 CD2 TRP A 80 6.424 -26.267 -10.611 1.00 0.00 C ATOM 1230 NE1 TRP A 80 6.453 -24.036 -10.531 1.00 0.00 N ATOM 1231 CE2 TRP A 80 7.072 -25.148 -11.091 1.00 0.00 C ATOM 1232 CE3 TRP A 80 6.816 -27.562 -10.994 1.00 0.00 C ATOM 1233 CZ2 TRP A 80 8.152 -25.209 -11.980 1.00 0.00 C ATOM 1234 CZ3 TRP A 80 7.897 -27.606 -11.883 1.00 0.00 C ATOM 1235 CH2 TRP A 80 8.561 -26.489 -12.375 1.00 0.00 C ATOM 0 H TRP A 80 2.128 -27.745 -9.189 1.00 0.00 H new ATOM 0 HA TRP A 80 4.591 -28.011 -10.622 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.438 -26.213 -8.866 1.00 0.00 H new ATOM 0 HB3 TRP A 80 4.773 -26.897 -7.958 1.00 0.00 H new ATOM 0 HD1 TRP A 80 4.777 -23.857 -9.149 1.00 0.00 H new ATOM 0 HE1 TRP A 80 6.704 -23.060 -10.691 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.323 -28.452 -10.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 8.643 -24.318 -12.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.239 -28.577 -12.209 1.00 0.00 H new ATOM 0 HH2 TRP A 80 9.389 -26.607 -13.059 1.00 0.00 H new ATOM 1246 N ALA A 81 4.151 -29.688 -7.826 1.00 0.00 N ATOM 1247 CA ALA A 81 4.666 -30.784 -7.024 1.00 0.00 C ATOM 1248 C ALA A 81 4.830 -32.024 -7.906 1.00 0.00 C ATOM 1249 O ALA A 81 5.931 -32.556 -8.036 1.00 0.00 O ATOM 1250 CB ALA A 81 3.732 -31.032 -5.838 1.00 0.00 C ATOM 0 H ALA A 81 3.262 -29.305 -7.505 1.00 0.00 H new ATOM 0 HA ALA A 81 5.647 -30.535 -6.620 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.119 -31.855 -5.236 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.673 -30.131 -5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.738 -31.287 -6.205 1.00 0.00 H new ATOM 1256 N ARG A 82 3.718 -32.447 -8.489 1.00 0.00 N ATOM 1257 CA ARG A 82 3.725 -33.613 -9.355 1.00 0.00 C ATOM 1258 C ARG A 82 4.694 -33.404 -10.520 1.00 0.00 C ATOM 1259 O ARG A 82 5.508 -34.276 -10.820 1.00 0.00 O ATOM 1260 CB ARG A 82 2.326 -33.896 -9.909 1.00 0.00 C ATOM 1261 CG ARG A 82 2.269 -35.272 -10.577 1.00 0.00 C ATOM 1262 CD ARG A 82 1.059 -35.379 -11.507 1.00 0.00 C ATOM 1263 NE ARG A 82 0.398 -36.691 -11.328 1.00 0.00 N ATOM 1264 CZ ARG A 82 0.845 -37.844 -11.869 1.00 0.00 C ATOM 1265 NH1 ARG A 82 1.960 -37.857 -12.631 1.00 0.00 N ATOM 1266 NH2 ARG A 82 0.176 -38.959 -11.644 1.00 0.00 N ATOM 0 H ARG A 82 2.806 -32.003 -8.378 1.00 0.00 H new ATOM 0 HA ARG A 82 4.047 -34.467 -8.759 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.595 -33.849 -9.102 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.054 -33.126 -10.631 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.184 -35.444 -11.144 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.216 -36.049 -9.814 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.354 -34.575 -11.294 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.375 -35.260 -12.543 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.449 -36.726 -10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.471 -36.991 -12.801 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.291 -38.733 -13.036 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -0.666 -38.941 -11.068 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.501 -39.839 -12.046 1.00 0.00 H new ATOM 1279 N ASP A 83 4.575 -32.242 -11.146 1.00 0.00 N ATOM 1280 CA ASP A 83 5.430 -31.908 -12.272 1.00 0.00 C ATOM 1281 C ASP A 83 6.895 -32.065 -11.858 1.00 0.00 C ATOM 1282 O ASP A 83 7.689 -32.658 -12.586 1.00 0.00 O ATOM 1283 CB ASP A 83 5.217 -30.459 -12.714 1.00 0.00 C ATOM 1284 CG ASP A 83 4.061 -30.245 -13.693 1.00 0.00 C ATOM 1285 OD1 ASP A 83 3.981 -29.210 -14.371 1.00 0.00 O ATOM 1286 OD2 ASP A 83 3.206 -31.209 -13.745 1.00 0.00 O ATOM 0 H ASP A 83 3.899 -31.520 -10.895 1.00 0.00 H new ATOM 0 HA ASP A 83 5.180 -32.577 -13.096 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.042 -29.847 -11.829 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.136 -30.097 -13.175 1.00 0.00 H new ATOM 1292 N ARG A 84 7.208 -31.522 -10.690 1.00 0.00 N ATOM 1293 CA ARG A 84 8.563 -31.595 -10.171 1.00 0.00 C ATOM 1294 C ARG A 84 8.869 -33.012 -9.680 1.00 0.00 C ATOM 1295 O ARG A 84 10.028 -33.420 -9.634 1.00 0.00 O ATOM 1296 CB ARG A 84 8.765 -30.609 -9.018 1.00 0.00 C ATOM 1297 CG ARG A 84 10.152 -29.967 -9.082 1.00 0.00 C ATOM 1298 CD ARG A 84 10.052 -28.441 -9.042 1.00 0.00 C ATOM 1299 NE ARG A 84 10.684 -27.925 -7.807 1.00 0.00 N ATOM 1300 CZ ARG A 84 10.124 -28.000 -6.581 1.00 0.00 C ATOM 1301 NH1 ARG A 84 8.912 -28.573 -6.416 1.00 0.00 N ATOM 1302 NH2 ARG A 84 10.778 -27.506 -5.547 1.00 0.00 N ATOM 0 H ARG A 84 6.547 -31.030 -10.089 1.00 0.00 H new ATOM 0 HA ARG A 84 9.243 -31.333 -10.982 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.000 -29.834 -9.059 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.644 -31.127 -8.067 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.758 -30.317 -8.246 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.659 -30.278 -9.995 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.541 -28.013 -9.917 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.006 -28.136 -9.080 1.00 0.00 H new ATOM 0 HE ARG A 84 11.601 -27.485 -7.887 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.414 -28.953 -7.221 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.495 -28.626 -5.487 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.693 -27.075 -5.681 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.369 -27.555 -4.614 1.00 0.00 H new ATOM 1315 N LYS A 85 7.808 -33.723 -9.327 1.00 0.00 N ATOM 1316 CA LYS A 85 7.948 -35.085 -8.842 1.00 0.00 C ATOM 1317 C LYS A 85 7.980 -36.045 -10.033 1.00 0.00 C ATOM 1318 O LYS A 85 8.360 -37.206 -9.889 1.00 0.00 O ATOM 1319 CB LYS A 85 6.854 -35.406 -7.822 1.00 0.00 C ATOM 1320 CG LYS A 85 7.389 -35.303 -6.393 1.00 0.00 C ATOM 1321 CD LYS A 85 6.527 -34.359 -5.552 1.00 0.00 C ATOM 1322 CE LYS A 85 5.187 -35.007 -5.200 1.00 0.00 C ATOM 1323 NZ LYS A 85 5.394 -36.183 -4.325 1.00 0.00 N ATOM 0 H LYS A 85 6.848 -33.381 -9.367 1.00 0.00 H new ATOM 0 HA LYS A 85 8.892 -35.205 -8.310 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.018 -34.718 -7.952 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.471 -36.411 -7.999 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.405 -36.292 -5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.418 -34.943 -6.411 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.058 -34.094 -4.638 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.354 -33.433 -6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.546 -34.282 -4.699 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.672 -35.311 -6.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.524 -36.374 -3.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.631 -37.012 -4.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.173 -35.991 -3.664 1.00 0.00 H new ATOM 1336 N LEU A 86 7.575 -35.525 -11.183 1.00 0.00 N ATOM 1337 CA LEU A 86 7.552 -36.322 -12.398 1.00 0.00 C ATOM 1338 C LEU A 86 8.987 -36.566 -12.869 1.00 0.00 C ATOM 1339 O LEU A 86 9.933 -36.402 -12.101 1.00 0.00 O ATOM 1340 CB LEU A 86 6.661 -35.663 -13.453 1.00 0.00 C ATOM 1341 CG LEU A 86 5.340 -36.374 -13.753 1.00 0.00 C ATOM 1342 CD1 LEU A 86 4.718 -35.850 -15.049 1.00 0.00 C ATOM 1343 CD2 LEU A 86 5.527 -37.892 -13.780 1.00 0.00 C ATOM 0 H LEU A 86 7.260 -34.562 -11.299 1.00 0.00 H new ATOM 0 HA LEU A 86 7.109 -37.299 -12.206 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.438 -34.647 -13.128 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.228 -35.584 -14.381 1.00 0.00 H new ATOM 0 HG LEU A 86 4.641 -36.151 -12.947 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.780 -36.372 -15.239 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.526 -34.781 -14.954 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.404 -36.023 -15.878 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.573 -38.372 -13.995 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.249 -38.156 -14.553 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.893 -38.231 -12.811 1.00 0.00 H new