USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 805 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 102 THR OG1 : rot -43:sc= 0.17 USER MOD Set 1.2: A 103 HIS : no HD1:sc= 0 X(o=0.17,f=0.16) USER MOD Set 2.1: A 66 THR OG1 : rot 102:sc=-0.00489 USER MOD Set 2.2: A 108 HIS : no HD1:sc= -4.11! C(o=-4.1!,f=-8.2!) USER MOD Single : A 17 ASN : amide:sc= -0.08 K(o=-0.08,f=-0.6) USER MOD Single : A 18 SER OG : rot 89:sc= 0.0934 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 23 THR OG1 : rot -140:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= -0.369 USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= -1.95 (180deg=-2.26!) USER MOD Single : A 36 THR OG1 : rot -48:sc= 0.734 USER MOD Single : A 37 SER OG : rot 71:sc= -0.0944 USER MOD Single : A 43 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.0025) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0617 USER MOD Single : A 48 CYS SG : rot -117:sc= -0.654 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -118:sc= 0.0463 (180deg=-1.12) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0196 X(o=-0.02,f=-0.02) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0.0221 X(o=0.022,f=-0.46) USER MOD Single : A 73 TYR OH : rot -32:sc= 0.751 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -49:sc= 1.1 USER MOD Single : A 81 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0275) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 145:sc= -0.0154 (180deg=-0.414) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -1.87 F(o=-3.8!,f=-1.9) USER MOD Single : A 100 TYR OH : rot 120:sc= -3.67! USER MOD Single : A 101 HIS : no HD1:sc= -0.601 X(o=-0.6,f=-0.24) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= -0.511 X(o=-0.51,f=-0.68) USER MOD Single : A 117 TYR OH : rot -30:sc= -0.802 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N PRO A 14 -3.846 1.665 -15.269 1.00 0.00 N ATOM 168 CA PRO A 14 -2.587 1.509 -14.535 1.00 0.00 C ATOM 169 C PRO A 14 -2.811 1.202 -13.058 1.00 0.00 C ATOM 170 O PRO A 14 -2.258 0.240 -12.522 1.00 0.00 O ATOM 171 CB PRO A 14 -1.908 2.871 -14.701 1.00 0.00 C ATOM 172 CG PRO A 14 -3.028 3.826 -14.931 1.00 0.00 C ATOM 173 CD PRO A 14 -4.080 3.059 -15.683 1.00 0.00 C ATOM 0 HA PRO A 14 -1.996 0.674 -14.912 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.335 3.139 -13.813 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.212 2.867 -15.540 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.420 4.202 -13.986 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.692 4.691 -15.503 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.084 3.393 -15.422 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.973 3.182 -16.761 1.00 0.00 H new ATOM 181 N LEU A 15 -3.626 2.023 -12.405 1.00 0.00 N ATOM 182 CA LEU A 15 -3.924 1.839 -10.989 1.00 0.00 C ATOM 183 C LEU A 15 -5.430 1.784 -10.752 1.00 0.00 C ATOM 184 O LEU A 15 -6.102 2.809 -10.630 1.00 0.00 O ATOM 185 CB LEU A 15 -3.308 2.972 -10.166 1.00 0.00 C ATOM 186 CG LEU A 15 -1.917 2.703 -9.591 1.00 0.00 C ATOM 187 CD1 LEU A 15 -1.951 1.514 -8.643 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.913 2.467 -10.710 1.00 0.00 C ATOM 0 H LEU A 15 -4.092 2.823 -12.833 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.490 0.891 -10.672 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.254 3.862 -10.793 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.982 3.203 -9.341 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.603 3.581 -9.027 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.952 1.338 -8.244 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.638 1.722 -7.823 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.287 0.628 -9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.071 2.277 -10.282 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.223 1.606 -11.302 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.867 3.349 -11.349 1.00 0.00 H new ATOM 200 N PRO A 16 -5.974 0.561 -10.683 1.00 0.00 N ATOM 201 CA PRO A 16 -7.406 0.343 -10.457 1.00 0.00 C ATOM 202 C PRO A 16 -7.834 0.720 -9.043 1.00 0.00 C ATOM 203 O PRO A 16 -7.127 0.443 -8.076 1.00 0.00 O ATOM 204 CB PRO A 16 -7.577 -1.161 -10.684 1.00 0.00 C ATOM 205 CG PRO A 16 -6.236 -1.742 -10.394 1.00 0.00 C ATOM 206 CD PRO A 16 -5.234 -0.705 -10.819 1.00 0.00 C ATOM 0 HA PRO A 16 -8.020 0.959 -11.114 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.340 -1.577 -10.025 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.888 -1.374 -11.707 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.132 -1.973 -9.334 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.088 -2.674 -10.940 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.346 -0.721 -10.187 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.899 -0.866 -11.844 1.00 0.00 H new ATOM 214 N ASN A 17 -8.997 1.354 -8.931 1.00 0.00 N ATOM 215 CA ASN A 17 -9.519 1.769 -7.634 1.00 0.00 C ATOM 216 C ASN A 17 -9.688 0.570 -6.706 1.00 0.00 C ATOM 217 O ASN A 17 -9.873 0.727 -5.499 1.00 0.00 O ATOM 218 CB ASN A 17 -10.860 2.487 -7.806 1.00 0.00 C ATOM 219 CG ASN A 17 -12.039 1.536 -7.726 1.00 0.00 C ATOM 220 OD1 ASN A 17 -12.510 1.205 -6.638 1.00 0.00 O ATOM 221 ND2 ASN A 17 -12.521 1.093 -8.882 1.00 0.00 N ATOM 0 H ASN A 17 -9.595 1.591 -9.722 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.801 2.456 -7.185 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.961 3.252 -7.036 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.874 2.999 -8.768 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.314 0.451 -8.892 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.098 1.395 -9.760 1.00 0.00 H new ATOM 228 N SER A 18 -9.621 -0.628 -7.278 1.00 0.00 N ATOM 229 CA SER A 18 -9.769 -1.855 -6.503 1.00 0.00 C ATOM 230 C SER A 18 -8.691 -1.951 -5.427 1.00 0.00 C ATOM 231 O SER A 18 -8.980 -2.241 -4.266 1.00 0.00 O ATOM 232 CB SER A 18 -9.698 -3.075 -7.422 1.00 0.00 C ATOM 233 OG SER A 18 -8.421 -3.185 -8.027 1.00 0.00 O ATOM 0 H SER A 18 -9.465 -0.775 -8.275 1.00 0.00 H new ATOM 0 HA SER A 18 -10.744 -1.833 -6.016 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.912 -3.978 -6.850 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.464 -2.998 -8.194 1.00 0.00 H new ATOM 0 HG SER A 18 -7.828 -3.706 -7.446 1.00 0.00 H new ATOM 239 N VAL A 19 -7.446 -1.705 -5.822 1.00 0.00 N ATOM 240 CA VAL A 19 -6.324 -1.763 -4.893 1.00 0.00 C ATOM 241 C VAL A 19 -6.465 -0.715 -3.795 1.00 0.00 C ATOM 242 O VAL A 19 -6.063 -0.939 -2.653 1.00 0.00 O ATOM 243 CB VAL A 19 -4.982 -1.552 -5.620 1.00 0.00 C ATOM 244 CG1 VAL A 19 -4.836 -2.539 -6.768 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.866 -0.120 -6.119 1.00 0.00 C ATOM 0 H VAL A 19 -7.189 -1.464 -6.779 1.00 0.00 H new ATOM 0 HA VAL A 19 -6.334 -2.757 -4.446 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.173 -1.732 -4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.882 -2.375 -7.270 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.871 -3.557 -6.379 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.650 -2.393 -7.479 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.912 0.011 -6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.681 0.091 -6.812 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.922 0.566 -5.273 1.00 0.00 H new ATOM 255 N PHE A 20 -7.038 0.431 -4.149 1.00 0.00 N ATOM 256 CA PHE A 20 -7.232 1.515 -3.194 1.00 0.00 C ATOM 257 C PHE A 20 -8.359 1.186 -2.219 1.00 0.00 C ATOM 258 O PHE A 20 -9.537 1.347 -2.536 1.00 0.00 O ATOM 259 CB PHE A 20 -7.544 2.821 -3.928 1.00 0.00 C ATOM 260 CG PHE A 20 -6.466 3.241 -4.887 1.00 0.00 C ATOM 261 CD1 PHE A 20 -6.359 2.646 -6.133 1.00 0.00 C ATOM 262 CD2 PHE A 20 -5.560 4.230 -4.540 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.369 3.031 -7.018 1.00 0.00 C ATOM 264 CE2 PHE A 20 -4.568 4.619 -5.421 1.00 0.00 C ATOM 265 CZ PHE A 20 -4.472 4.018 -6.661 1.00 0.00 C ATOM 0 H PHE A 20 -7.376 0.632 -5.090 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.308 1.636 -2.628 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.481 2.707 -4.474 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.696 3.613 -3.195 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.057 1.872 -6.417 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.629 4.702 -3.571 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.297 2.560 -7.987 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.869 5.392 -5.140 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.697 4.320 -7.350 1.00 0.00 H new ATOM 275 N VAL A 21 -7.988 0.722 -1.029 1.00 0.00 N ATOM 276 CA VAL A 21 -8.966 0.370 -0.007 1.00 0.00 C ATOM 277 C VAL A 21 -9.255 1.555 0.908 1.00 0.00 C ATOM 278 O VAL A 21 -8.392 2.401 1.136 1.00 0.00 O ATOM 279 CB VAL A 21 -8.482 -0.817 0.847 1.00 0.00 C ATOM 280 CG1 VAL A 21 -7.151 -0.493 1.508 1.00 0.00 C ATOM 281 CG2 VAL A 21 -9.528 -1.184 1.889 1.00 0.00 C ATOM 0 H VAL A 21 -7.017 0.581 -0.750 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.880 0.085 -0.528 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.335 -1.676 0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.826 -1.344 2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.406 -0.283 0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.267 0.380 2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.170 -2.024 2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.708 -0.329 2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.457 -1.462 1.390 1.00 0.00 H new ATOM 291 N ASN A 22 -10.477 1.608 1.429 1.00 0.00 N ATOM 292 CA ASN A 22 -10.881 2.690 2.320 1.00 0.00 C ATOM 293 C ASN A 22 -10.563 2.347 3.772 1.00 0.00 C ATOM 294 O ASN A 22 -11.264 2.774 4.691 1.00 0.00 O ATOM 295 CB ASN A 22 -12.377 2.973 2.166 1.00 0.00 C ATOM 296 CG ASN A 22 -12.733 4.405 2.514 1.00 0.00 C ATOM 297 OD1 ASN A 22 -12.250 5.347 1.886 1.00 0.00 O ATOM 298 ND2 ASN A 22 -13.583 4.576 3.520 1.00 0.00 N ATOM 0 H ASN A 22 -11.204 0.915 1.250 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.319 3.583 2.045 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.680 2.765 1.140 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.940 2.295 2.808 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.860 5.517 3.799 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -13.959 3.766 4.013 1.00 0.00 H new ATOM 305 N THR A 23 -9.502 1.572 3.973 1.00 0.00 N ATOM 306 CA THR A 23 -9.091 1.171 5.312 1.00 0.00 C ATOM 307 C THR A 23 -7.781 1.841 5.709 1.00 0.00 C ATOM 308 O THR A 23 -6.948 2.156 4.858 1.00 0.00 O ATOM 309 CB THR A 23 -8.924 -0.357 5.414 1.00 0.00 C ATOM 310 OG1 THR A 23 -8.918 -0.758 6.789 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.635 -0.807 4.744 1.00 0.00 C ATOM 0 H THR A 23 -8.911 1.209 3.225 1.00 0.00 H new ATOM 0 HA THR A 23 -9.880 1.490 5.993 1.00 0.00 H new ATOM 0 HB THR A 23 -9.764 -0.827 4.902 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.247 -1.460 6.922 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.539 -1.889 4.829 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.655 -0.526 3.691 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.785 -0.328 5.231 1.00 0.00 H new ATOM 319 N THR A 24 -7.602 2.057 7.009 1.00 0.00 N ATOM 320 CA THR A 24 -6.393 2.691 7.519 1.00 0.00 C ATOM 321 C THR A 24 -5.700 1.805 8.548 1.00 0.00 C ATOM 322 O THR A 24 -5.026 2.299 9.451 1.00 0.00 O ATOM 323 CB THR A 24 -6.702 4.057 8.159 1.00 0.00 C ATOM 324 OG1 THR A 24 -7.546 3.883 9.302 1.00 0.00 O ATOM 325 CG2 THR A 24 -7.378 4.983 7.159 1.00 0.00 C ATOM 0 H THR A 24 -8.280 1.802 7.728 1.00 0.00 H new ATOM 0 HA THR A 24 -5.730 2.840 6.666 1.00 0.00 H new ATOM 0 HB THR A 24 -5.760 4.509 8.469 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.736 4.756 9.704 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.586 5.942 7.634 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.720 5.137 6.304 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.312 4.534 6.822 1.00 0.00 H new ATOM 333 N GLU A 25 -5.871 0.495 8.405 1.00 0.00 N ATOM 334 CA GLU A 25 -5.262 -0.460 9.324 1.00 0.00 C ATOM 335 C GLU A 25 -4.669 -1.643 8.565 1.00 0.00 C ATOM 336 O GLU A 25 -5.219 -2.087 7.557 1.00 0.00 O ATOM 337 CB GLU A 25 -6.294 -0.955 10.339 1.00 0.00 C ATOM 338 CG GLU A 25 -6.799 0.131 11.274 1.00 0.00 C ATOM 339 CD GLU A 25 -7.281 -0.420 12.602 1.00 0.00 C ATOM 340 OE1 GLU A 25 -6.426 -0.774 13.442 1.00 0.00 O ATOM 341 OE2 GLU A 25 -8.511 -0.498 12.801 1.00 0.00 O ATOM 0 H GLU A 25 -6.426 0.070 7.662 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.457 0.048 9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.141 -1.384 9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.853 -1.756 10.932 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.001 0.852 11.452 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.614 0.671 10.791 1.00 0.00 H new ATOM 348 N SER A 26 -3.543 -2.150 9.057 1.00 0.00 N ATOM 349 CA SER A 26 -2.872 -3.280 8.424 1.00 0.00 C ATOM 350 C SER A 26 -3.531 -4.596 8.824 1.00 0.00 C ATOM 351 O SER A 26 -3.632 -5.523 8.018 1.00 0.00 O ATOM 352 CB SER A 26 -1.391 -3.300 8.806 1.00 0.00 C ATOM 353 OG SER A 26 -1.227 -3.298 10.213 1.00 0.00 O ATOM 0 H SER A 26 -3.076 -1.796 9.892 1.00 0.00 H new ATOM 0 HA SER A 26 -2.959 -3.164 7.344 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.915 -4.184 8.383 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.890 -2.432 8.377 1.00 0.00 H new ATOM 0 HG SER A 26 -0.272 -3.313 10.431 1.00 0.00 H new ATOM 359 N CYS A 27 -3.976 -4.672 10.073 1.00 0.00 N ATOM 360 CA CYS A 27 -4.625 -5.875 10.582 1.00 0.00 C ATOM 361 C CYS A 27 -5.832 -6.246 9.727 1.00 0.00 C ATOM 362 O CYS A 27 -6.323 -7.373 9.785 1.00 0.00 O ATOM 363 CB CYS A 27 -5.057 -5.671 12.035 1.00 0.00 C ATOM 364 SG CYS A 27 -5.980 -4.143 12.323 1.00 0.00 S ATOM 0 H CYS A 27 -3.899 -3.915 10.752 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.906 -6.693 10.536 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.671 -6.517 12.342 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.171 -5.673 12.670 1.00 0.00 H new ATOM 0 HG CYS A 27 -6.303 -4.061 13.580 1.00 0.00 H new ATOM 370 N GLU A 28 -6.306 -5.289 8.935 1.00 0.00 N ATOM 371 CA GLU A 28 -7.458 -5.515 8.070 1.00 0.00 C ATOM 372 C GLU A 28 -7.015 -5.967 6.682 1.00 0.00 C ATOM 373 O GLU A 28 -7.444 -7.011 6.190 1.00 0.00 O ATOM 374 CB GLU A 28 -8.298 -4.241 7.960 1.00 0.00 C ATOM 375 CG GLU A 28 -9.464 -4.363 6.993 1.00 0.00 C ATOM 376 CD GLU A 28 -10.718 -4.901 7.655 1.00 0.00 C ATOM 377 OE1 GLU A 28 -10.591 -5.731 8.579 1.00 0.00 O ATOM 378 OE2 GLU A 28 -11.825 -4.491 7.249 1.00 0.00 O ATOM 0 H GLU A 28 -5.910 -4.351 8.875 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.065 -6.304 8.514 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.681 -3.982 8.947 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.657 -3.419 7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.677 -3.385 6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.182 -5.020 6.170 1.00 0.00 H new ATOM 385 N VAL A 29 -6.153 -5.172 6.054 1.00 0.00 N ATOM 386 CA VAL A 29 -5.651 -5.490 4.722 1.00 0.00 C ATOM 387 C VAL A 29 -5.208 -6.946 4.635 1.00 0.00 C ATOM 388 O VAL A 29 -5.607 -7.673 3.726 1.00 0.00 O ATOM 389 CB VAL A 29 -4.469 -4.581 4.337 1.00 0.00 C ATOM 390 CG1 VAL A 29 -3.853 -5.034 3.022 1.00 0.00 C ATOM 391 CG2 VAL A 29 -4.919 -3.130 4.252 1.00 0.00 C ATOM 0 H VAL A 29 -5.788 -4.304 6.446 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.472 -5.321 4.025 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.707 -4.657 5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.019 -4.380 2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.493 -6.058 3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.604 -4.989 2.234 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.071 -2.502 3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.699 -3.035 3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.309 -2.813 5.219 1.00 0.00 H new ATOM 401 N GLU A 30 -4.380 -7.365 5.587 1.00 0.00 N ATOM 402 CA GLU A 30 -3.882 -8.735 5.617 1.00 0.00 C ATOM 403 C GLU A 30 -5.033 -9.734 5.539 1.00 0.00 C ATOM 404 O GLU A 30 -4.952 -10.737 4.831 1.00 0.00 O ATOM 405 CB GLU A 30 -3.066 -8.978 6.888 1.00 0.00 C ATOM 406 CG GLU A 30 -2.578 -10.409 7.035 1.00 0.00 C ATOM 407 CD GLU A 30 -2.008 -10.693 8.411 1.00 0.00 C ATOM 408 OE1 GLU A 30 -2.764 -10.593 9.399 1.00 0.00 O ATOM 409 OE2 GLU A 30 -0.804 -11.016 8.498 1.00 0.00 O ATOM 0 H GLU A 30 -4.040 -6.776 6.347 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.239 -8.879 4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.206 -8.308 6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.674 -8.720 7.755 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.404 -11.092 6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.816 -10.608 6.282 1.00 0.00 H new ATOM 416 N ARG A 31 -6.104 -9.452 6.274 1.00 0.00 N ATOM 417 CA ARG A 31 -7.271 -10.326 6.291 1.00 0.00 C ATOM 418 C ARG A 31 -7.984 -10.307 4.942 1.00 0.00 C ATOM 419 O ARG A 31 -8.356 -11.353 4.410 1.00 0.00 O ATOM 420 CB ARG A 31 -8.238 -9.899 7.397 1.00 0.00 C ATOM 421 CG ARG A 31 -9.472 -10.781 7.500 1.00 0.00 C ATOM 422 CD ARG A 31 -10.393 -10.321 8.620 1.00 0.00 C ATOM 423 NE ARG A 31 -11.148 -11.430 9.197 1.00 0.00 N ATOM 424 CZ ARG A 31 -10.639 -12.290 10.071 1.00 0.00 C ATOM 425 NH1 ARG A 31 -9.379 -12.170 10.468 1.00 0.00 N ATOM 426 NH2 ARG A 31 -11.389 -13.273 10.552 1.00 0.00 N ATOM 0 H ARG A 31 -6.188 -8.625 6.865 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.930 -11.342 6.488 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.713 -9.911 8.352 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.551 -8.870 7.218 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.012 -10.765 6.553 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.169 -11.813 7.677 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.803 -9.839 9.400 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.085 -9.572 8.236 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.120 -11.550 8.913 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.799 -11.416 10.102 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.991 -12.832 11.140 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.359 -13.369 10.250 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.996 -13.933 11.223 1.00 0.00 H new ATOM 440 N LEU A 32 -8.171 -9.111 4.395 1.00 0.00 N ATOM 441 CA LEU A 32 -8.839 -8.955 3.108 1.00 0.00 C ATOM 442 C LEU A 32 -8.173 -9.816 2.040 1.00 0.00 C ATOM 443 O LEU A 32 -8.837 -10.588 1.347 1.00 0.00 O ATOM 444 CB LEU A 32 -8.824 -7.487 2.678 1.00 0.00 C ATOM 445 CG LEU A 32 -9.427 -6.490 3.669 1.00 0.00 C ATOM 446 CD1 LEU A 32 -9.176 -5.063 3.210 1.00 0.00 C ATOM 447 CD2 LEU A 32 -10.918 -6.744 3.839 1.00 0.00 C ATOM 0 H LEU A 32 -7.870 -8.235 4.823 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.872 -9.284 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.791 -7.197 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.362 -7.400 1.734 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.942 -6.629 4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.612 -4.368 3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.103 -4.887 3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.633 -4.910 2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.331 -6.026 4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.418 -6.633 2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.074 -7.755 4.215 1.00 0.00 H new ATOM 459 N PHE A 33 -6.857 -9.680 1.913 1.00 0.00 N ATOM 460 CA PHE A 33 -6.101 -10.447 0.930 1.00 0.00 C ATOM 461 C PHE A 33 -6.503 -11.918 0.962 1.00 0.00 C ATOM 462 O PHE A 33 -6.997 -12.460 -0.027 1.00 0.00 O ATOM 463 CB PHE A 33 -4.599 -10.311 1.192 1.00 0.00 C ATOM 464 CG PHE A 33 -4.022 -9.010 0.711 1.00 0.00 C ATOM 465 CD1 PHE A 33 -4.833 -7.902 0.530 1.00 0.00 C ATOM 466 CD2 PHE A 33 -2.668 -8.896 0.440 1.00 0.00 C ATOM 467 CE1 PHE A 33 -4.305 -6.705 0.086 1.00 0.00 C ATOM 468 CE2 PHE A 33 -2.134 -7.701 -0.004 1.00 0.00 C ATOM 469 CZ PHE A 33 -2.953 -6.604 -0.180 1.00 0.00 C ATOM 0 H PHE A 33 -6.292 -9.046 2.478 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.328 -10.048 -0.059 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.415 -10.408 2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.077 -11.134 0.703 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.890 -7.975 0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.022 -9.751 0.577 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.949 -5.849 -0.053 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.077 -7.626 -0.213 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.538 -5.669 -0.525 1.00 0.00 H new ATOM 479 N LYS A 34 -6.286 -12.560 2.105 1.00 0.00 N ATOM 480 CA LYS A 34 -6.626 -13.968 2.268 1.00 0.00 C ATOM 481 C LYS A 34 -8.111 -14.204 2.010 1.00 0.00 C ATOM 482 O LYS A 34 -8.500 -15.241 1.474 1.00 0.00 O ATOM 483 CB LYS A 34 -6.261 -14.442 3.677 1.00 0.00 C ATOM 484 CG LYS A 34 -4.798 -14.234 4.029 1.00 0.00 C ATOM 485 CD LYS A 34 -4.596 -14.126 5.531 1.00 0.00 C ATOM 486 CE LYS A 34 -3.162 -13.753 5.875 1.00 0.00 C ATOM 487 NZ LYS A 34 -3.005 -13.430 7.320 1.00 0.00 N ATOM 0 H LYS A 34 -5.876 -12.127 2.932 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.053 -14.540 1.538 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.879 -13.911 4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.501 -15.501 3.768 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.208 -15.064 3.640 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.432 -13.328 3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.275 -13.377 5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.849 -15.076 6.002 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.499 -14.578 5.613 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.856 -12.896 5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.070 -13.004 7.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.745 -12.759 7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.090 -14.301 7.882 1.00 0.00 H new ATOM 501 N ALA A 35 -8.934 -13.234 2.393 1.00 0.00 N ATOM 502 CA ALA A 35 -10.376 -13.334 2.199 1.00 0.00 C ATOM 503 C ALA A 35 -10.726 -13.412 0.717 1.00 0.00 C ATOM 504 O ALA A 35 -11.628 -14.150 0.319 1.00 0.00 O ATOM 505 CB ALA A 35 -11.079 -12.152 2.850 1.00 0.00 C ATOM 0 H ALA A 35 -8.627 -12.370 2.840 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.720 -14.253 2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.155 -12.239 2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.863 -12.144 3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.723 -11.225 2.401 1.00 0.00 H new ATOM 511 N THR A 36 -10.008 -12.644 -0.097 1.00 0.00 N ATOM 512 CA THR A 36 -10.245 -12.624 -1.535 1.00 0.00 C ATOM 513 C THR A 36 -9.399 -13.674 -2.246 1.00 0.00 C ATOM 514 O THR A 36 -9.093 -13.540 -3.430 1.00 0.00 O ATOM 515 CB THR A 36 -9.936 -11.240 -2.135 1.00 0.00 C ATOM 516 OG1 THR A 36 -10.385 -11.184 -3.494 1.00 0.00 O ATOM 517 CG2 THR A 36 -8.445 -10.944 -2.077 1.00 0.00 C ATOM 0 H THR A 36 -9.258 -12.028 0.215 1.00 0.00 H new ATOM 0 HA THR A 36 -11.301 -12.850 -1.685 1.00 0.00 H new ATOM 0 HB THR A 36 -10.462 -10.489 -1.546 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.080 -11.983 -3.972 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.252 -9.961 -2.507 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.111 -10.958 -1.039 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.902 -11.700 -2.643 1.00 0.00 H new ATOM 525 N SER A 37 -9.025 -14.720 -1.515 1.00 0.00 N ATOM 526 CA SER A 37 -8.212 -15.792 -2.076 1.00 0.00 C ATOM 527 C SER A 37 -9.008 -17.091 -2.161 1.00 0.00 C ATOM 528 O SER A 37 -9.873 -17.374 -1.332 1.00 0.00 O ATOM 529 CB SER A 37 -6.956 -16.005 -1.228 1.00 0.00 C ATOM 530 OG SER A 37 -6.089 -14.887 -1.312 1.00 0.00 O ATOM 0 H SER A 37 -9.272 -14.847 -0.534 1.00 0.00 H new ATOM 0 HA SER A 37 -7.917 -15.501 -3.084 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.239 -16.173 -0.189 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.434 -16.901 -1.564 1.00 0.00 H new ATOM 0 HG SER A 37 -6.486 -14.129 -0.834 1.00 0.00 H new ATOM 536 N PRO A 38 -8.710 -17.901 -3.188 1.00 0.00 N ATOM 537 CA PRO A 38 -9.386 -19.183 -3.406 1.00 0.00 C ATOM 538 C PRO A 38 -9.014 -20.221 -2.353 1.00 0.00 C ATOM 539 O PRO A 38 -9.881 -20.907 -1.812 1.00 0.00 O ATOM 540 CB PRO A 38 -8.883 -19.618 -4.785 1.00 0.00 C ATOM 541 CG PRO A 38 -7.567 -18.937 -4.941 1.00 0.00 C ATOM 542 CD PRO A 38 -7.690 -17.627 -4.214 1.00 0.00 C ATOM 0 HA PRO A 38 -10.470 -19.088 -3.342 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.778 -20.701 -4.844 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.578 -19.322 -5.571 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.763 -19.542 -4.522 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.332 -18.779 -5.993 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.743 -17.324 -3.768 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.998 -16.824 -4.883 1.00 0.00 H new ATOM 550 N ARG A 39 -7.721 -20.330 -2.066 1.00 0.00 N ATOM 551 CA ARG A 39 -7.236 -21.284 -1.077 1.00 0.00 C ATOM 552 C ARG A 39 -7.030 -20.609 0.276 1.00 0.00 C ATOM 553 O ARG A 39 -6.155 -20.998 1.049 1.00 0.00 O ATOM 554 CB ARG A 39 -5.925 -21.917 -1.548 1.00 0.00 C ATOM 555 CG ARG A 39 -6.099 -22.889 -2.703 1.00 0.00 C ATOM 556 CD ARG A 39 -4.804 -23.624 -3.013 1.00 0.00 C ATOM 557 NE ARG A 39 -4.980 -24.627 -4.060 1.00 0.00 N ATOM 558 CZ ARG A 39 -3.972 -25.186 -4.720 1.00 0.00 C ATOM 559 NH1 ARG A 39 -2.722 -24.841 -4.442 1.00 0.00 N ATOM 560 NH2 ARG A 39 -4.213 -26.091 -5.659 1.00 0.00 N ATOM 0 H ARG A 39 -6.991 -19.769 -2.505 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.988 -22.064 -0.963 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.238 -21.127 -1.850 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.462 -22.440 -0.711 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.878 -23.611 -2.458 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.432 -22.348 -3.588 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.045 -22.906 -3.323 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.435 -24.106 -2.108 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.930 -24.914 -4.297 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.533 -24.145 -3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.949 -25.271 -4.950 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.173 -26.358 -5.875 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.438 -26.520 -6.165 1.00 0.00 H new ATOM 574 N GLY A 40 -7.841 -19.594 0.555 1.00 0.00 N ATOM 575 CA GLY A 40 -7.731 -18.880 1.813 1.00 0.00 C ATOM 576 C GLY A 40 -6.366 -18.251 2.006 1.00 0.00 C ATOM 577 O GLY A 40 -5.992 -17.894 3.123 1.00 0.00 O ATOM 0 H GLY A 40 -8.573 -19.253 -0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.494 -18.103 1.854 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.931 -19.567 2.636 1.00 0.00 H new ATOM 581 N GLU A 41 -5.618 -18.117 0.915 1.00 0.00 N ATOM 582 CA GLU A 41 -4.285 -17.530 0.971 1.00 0.00 C ATOM 583 C GLU A 41 -3.992 -16.724 -0.292 1.00 0.00 C ATOM 584 O GLU A 41 -4.264 -17.157 -1.412 1.00 0.00 O ATOM 585 CB GLU A 41 -3.229 -18.623 1.148 1.00 0.00 C ATOM 586 CG GLU A 41 -3.252 -19.675 0.052 1.00 0.00 C ATOM 587 CD GLU A 41 -2.033 -20.576 0.083 1.00 0.00 C ATOM 588 OE1 GLU A 41 -1.567 -20.907 1.193 1.00 0.00 O ATOM 589 OE2 GLU A 41 -1.545 -20.950 -1.004 1.00 0.00 O ATOM 0 H GLU A 41 -5.913 -18.407 -0.017 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.248 -16.857 1.828 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.242 -18.162 1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.381 -19.110 2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.151 -20.283 0.156 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.310 -19.182 -0.918 1.00 0.00 H new ATOM 596 N PRO A 42 -3.424 -15.523 -0.109 1.00 0.00 N ATOM 597 CA PRO A 42 -3.082 -14.631 -1.221 1.00 0.00 C ATOM 598 C PRO A 42 -1.920 -15.162 -2.053 1.00 0.00 C ATOM 599 O PRO A 42 -1.200 -16.064 -1.625 1.00 0.00 O ATOM 600 CB PRO A 42 -2.687 -13.328 -0.521 1.00 0.00 C ATOM 601 CG PRO A 42 -2.236 -13.748 0.835 1.00 0.00 C ATOM 602 CD PRO A 42 -3.072 -14.943 1.198 1.00 0.00 C ATOM 0 HA PRO A 42 -3.908 -14.520 -1.924 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.892 -12.814 -1.061 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.530 -12.639 -0.462 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.176 -14.000 0.833 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.371 -12.943 1.558 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.517 -15.650 1.815 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.959 -14.656 1.762 1.00 0.00 H new ATOM 610 N GLN A 43 -1.744 -14.598 -3.243 1.00 0.00 N ATOM 611 CA GLN A 43 -0.669 -15.016 -4.135 1.00 0.00 C ATOM 612 C GLN A 43 0.548 -14.109 -3.984 1.00 0.00 C ATOM 613 O GLN A 43 0.416 -12.890 -3.868 1.00 0.00 O ATOM 614 CB GLN A 43 -1.149 -15.006 -5.587 1.00 0.00 C ATOM 615 CG GLN A 43 -2.188 -16.073 -5.892 1.00 0.00 C ATOM 616 CD GLN A 43 -3.608 -15.577 -5.701 1.00 0.00 C ATOM 617 OE1 GLN A 43 -4.361 -16.115 -4.888 1.00 0.00 O ATOM 618 NE2 GLN A 43 -3.981 -14.547 -6.450 1.00 0.00 N ATOM 0 H GLN A 43 -2.332 -13.850 -3.612 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.380 -16.031 -3.862 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.569 -14.026 -5.815 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.292 -15.147 -6.245 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.062 -16.414 -6.919 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.018 -16.935 -5.247 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.324 -14.132 -7.111 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.925 -14.170 -6.365 1.00 0.00 H new ATOM 627 N ASP A 44 1.732 -14.711 -3.984 1.00 0.00 N ATOM 628 CA ASP A 44 2.973 -13.957 -3.848 1.00 0.00 C ATOM 629 C ASP A 44 2.996 -12.769 -4.804 1.00 0.00 C ATOM 630 O ASP A 44 2.906 -12.936 -6.020 1.00 0.00 O ATOM 631 CB ASP A 44 4.177 -14.864 -4.112 1.00 0.00 C ATOM 632 CG ASP A 44 5.496 -14.168 -3.838 1.00 0.00 C ATOM 633 OD1 ASP A 44 5.545 -12.926 -3.948 1.00 0.00 O ATOM 634 OD2 ASP A 44 6.479 -14.867 -3.515 1.00 0.00 O ATOM 0 H ASP A 44 1.859 -15.719 -4.077 1.00 0.00 H new ATOM 0 HA ASP A 44 3.029 -13.579 -2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.102 -15.754 -3.487 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.155 -15.200 -5.149 1.00 0.00 H new ATOM 639 N GLY A 45 3.115 -11.568 -4.246 1.00 0.00 N ATOM 640 CA GLY A 45 3.146 -10.370 -5.064 1.00 0.00 C ATOM 641 C GLY A 45 1.922 -9.499 -4.863 1.00 0.00 C ATOM 642 O GLY A 45 1.884 -8.354 -5.314 1.00 0.00 O ATOM 0 H GLY A 45 3.190 -11.404 -3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.041 -9.795 -4.826 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.219 -10.653 -6.114 1.00 0.00 H new ATOM 646 N LEU A 46 0.916 -10.042 -4.185 1.00 0.00 N ATOM 647 CA LEU A 46 -0.317 -9.308 -3.926 1.00 0.00 C ATOM 648 C LEU A 46 -0.021 -7.954 -3.288 1.00 0.00 C ATOM 649 O LEU A 46 0.365 -7.878 -2.121 1.00 0.00 O ATOM 650 CB LEU A 46 -1.238 -10.123 -3.017 1.00 0.00 C ATOM 651 CG LEU A 46 -2.733 -9.820 -3.130 1.00 0.00 C ATOM 652 CD1 LEU A 46 -3.190 -9.925 -4.577 1.00 0.00 C ATOM 653 CD2 LEU A 46 -3.536 -10.762 -2.245 1.00 0.00 C ATOM 0 H LEU A 46 0.931 -10.988 -3.805 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.817 -9.138 -4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.085 -11.180 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.932 -9.961 -1.984 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.905 -8.799 -2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.256 -9.706 -4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.637 -9.210 -5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.005 -10.934 -4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.597 -10.532 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.359 -11.792 -2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.227 -10.638 -1.207 1.00 0.00 H new ATOM 665 N TYR A 47 -0.207 -6.889 -4.059 1.00 0.00 N ATOM 666 CA TYR A 47 0.040 -5.538 -3.570 1.00 0.00 C ATOM 667 C TYR A 47 -1.237 -4.704 -3.604 1.00 0.00 C ATOM 668 O TYR A 47 -2.200 -5.051 -4.289 1.00 0.00 O ATOM 669 CB TYR A 47 1.127 -4.861 -4.406 1.00 0.00 C ATOM 670 CG TYR A 47 0.733 -4.641 -5.849 1.00 0.00 C ATOM 671 CD1 TYR A 47 0.896 -5.645 -6.795 1.00 0.00 C ATOM 672 CD2 TYR A 47 0.196 -3.429 -6.265 1.00 0.00 C ATOM 673 CE1 TYR A 47 0.538 -5.448 -8.114 1.00 0.00 C ATOM 674 CE2 TYR A 47 -0.166 -3.224 -7.583 1.00 0.00 C ATOM 675 CZ TYR A 47 0.007 -4.236 -8.503 1.00 0.00 C ATOM 676 OH TYR A 47 -0.352 -4.036 -9.817 1.00 0.00 O ATOM 0 H TYR A 47 -0.528 -6.935 -5.026 1.00 0.00 H new ATOM 0 HA TYR A 47 0.378 -5.610 -2.536 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.374 -3.900 -3.955 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.030 -5.470 -4.374 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.310 -6.596 -6.494 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.059 -2.634 -5.547 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.673 -6.239 -8.837 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.582 -2.276 -7.891 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.710 -3.130 -9.924 1.00 0.00 H new ATOM 686 N CYS A 48 -1.237 -3.603 -2.862 1.00 0.00 N ATOM 687 CA CYS A 48 -2.394 -2.718 -2.806 1.00 0.00 C ATOM 688 C CYS A 48 -2.004 -1.345 -2.268 1.00 0.00 C ATOM 689 O CYS A 48 -0.827 -1.071 -2.034 1.00 0.00 O ATOM 690 CB CYS A 48 -3.489 -3.330 -1.930 1.00 0.00 C ATOM 691 SG CYS A 48 -3.347 -2.916 -0.176 1.00 0.00 S ATOM 0 H CYS A 48 -0.448 -3.302 -2.290 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.775 -2.596 -3.820 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.460 -2.995 -2.294 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.464 -4.414 -2.040 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.159 -4.003 0.513 1.00 0.00 H new ATOM 697 N ILE A 49 -2.999 -0.486 -2.076 1.00 0.00 N ATOM 698 CA ILE A 49 -2.759 0.859 -1.567 1.00 0.00 C ATOM 699 C ILE A 49 -3.824 1.260 -0.551 1.00 0.00 C ATOM 700 O ILE A 49 -4.989 1.450 -0.900 1.00 0.00 O ATOM 701 CB ILE A 49 -2.735 1.896 -2.705 1.00 0.00 C ATOM 702 CG1 ILE A 49 -1.523 1.665 -3.609 1.00 0.00 C ATOM 703 CG2 ILE A 49 -2.716 3.307 -2.135 1.00 0.00 C ATOM 704 CD1 ILE A 49 -1.718 2.169 -5.022 1.00 0.00 C ATOM 0 H ILE A 49 -3.979 -0.697 -2.265 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.784 0.843 -1.081 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.639 1.778 -3.303 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.655 2.159 -3.172 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.301 0.598 -3.640 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.699 4.029 -2.951 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.607 3.466 -1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.828 3.438 -1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.819 1.972 -5.606 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.566 1.657 -5.477 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.910 3.242 -5.002 1.00 0.00 H new ATOM 716 N ARG A 50 -3.415 1.389 0.707 1.00 0.00 N ATOM 717 CA ARG A 50 -4.333 1.768 1.774 1.00 0.00 C ATOM 718 C ARG A 50 -3.946 3.119 2.370 1.00 0.00 C ATOM 719 O ARG A 50 -2.920 3.695 2.011 1.00 0.00 O ATOM 720 CB ARG A 50 -4.346 0.700 2.869 1.00 0.00 C ATOM 721 CG ARG A 50 -3.106 0.714 3.747 1.00 0.00 C ATOM 722 CD ARG A 50 -3.233 -0.263 4.906 1.00 0.00 C ATOM 723 NE ARG A 50 -2.073 -0.215 5.792 1.00 0.00 N ATOM 724 CZ ARG A 50 -1.876 0.739 6.695 1.00 0.00 C ATOM 725 NH1 ARG A 50 -2.758 1.719 6.831 1.00 0.00 N ATOM 726 NH2 ARG A 50 -0.795 0.713 7.464 1.00 0.00 N ATOM 0 H ARG A 50 -2.454 1.237 1.012 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.332 1.852 1.346 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.226 0.845 3.495 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.442 -0.282 2.406 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.232 0.458 3.148 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.944 1.720 4.134 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.134 -0.035 5.476 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.350 -1.274 4.516 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.375 -0.955 5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.590 1.742 6.242 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.605 2.450 7.525 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.115 -0.040 7.362 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.644 1.446 8.157 1.00 0.00 H new ATOM 740 N ASN A 51 -4.775 3.617 3.281 1.00 0.00 N ATOM 741 CA ASN A 51 -4.520 4.900 3.926 1.00 0.00 C ATOM 742 C ASN A 51 -3.674 4.718 5.183 1.00 0.00 C ATOM 743 O ASN A 51 -3.874 3.774 5.947 1.00 0.00 O ATOM 744 CB ASN A 51 -5.841 5.587 4.282 1.00 0.00 C ATOM 745 CG ASN A 51 -6.481 6.262 3.085 1.00 0.00 C ATOM 746 OD1 ASN A 51 -6.485 7.489 2.979 1.00 0.00 O ATOM 747 ND2 ASN A 51 -7.028 5.462 2.177 1.00 0.00 N ATOM 0 H ASN A 51 -5.629 3.152 3.589 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.969 5.528 3.226 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.532 4.850 4.693 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.664 6.328 5.062 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.475 5.859 1.351 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.001 4.451 2.306 1.00 0.00 H new ATOM 830 N LYS A 58 -0.190 7.969 1.713 1.00 0.00 N ATOM 831 CA LYS A 58 -0.453 6.596 1.297 1.00 0.00 C ATOM 832 C LYS A 58 0.762 5.709 1.550 1.00 0.00 C ATOM 833 O LYS A 58 1.890 6.194 1.635 1.00 0.00 O ATOM 834 CB LYS A 58 -0.830 6.554 -0.185 1.00 0.00 C ATOM 835 CG LYS A 58 -2.131 7.269 -0.503 1.00 0.00 C ATOM 836 CD LYS A 58 -3.313 6.314 -0.477 1.00 0.00 C ATOM 837 CE LYS A 58 -4.397 6.742 -1.455 1.00 0.00 C ATOM 838 NZ LYS A 58 -3.885 6.818 -2.852 1.00 0.00 N ATOM 0 HA LYS A 58 -1.287 6.217 1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.026 7.004 -0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.910 5.514 -0.501 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.293 8.070 0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.060 7.735 -1.486 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.975 5.308 -0.725 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.726 6.272 0.531 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.226 6.036 -1.410 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.790 7.715 -1.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.967 7.795 -3.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.887 6.526 -2.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.443 6.186 -3.461 1.00 0.00 H new ATOM 852 N VAL A 59 0.524 4.407 1.667 1.00 0.00 N ATOM 853 CA VAL A 59 1.599 3.452 1.907 1.00 0.00 C ATOM 854 C VAL A 59 1.382 2.169 1.112 1.00 0.00 C ATOM 855 O VAL A 59 0.452 1.407 1.382 1.00 0.00 O ATOM 856 CB VAL A 59 1.716 3.102 3.402 1.00 0.00 C ATOM 857 CG1 VAL A 59 2.716 1.975 3.611 1.00 0.00 C ATOM 858 CG2 VAL A 59 2.110 4.331 4.207 1.00 0.00 C ATOM 0 H VAL A 59 -0.404 3.989 1.599 1.00 0.00 H new ATOM 0 HA VAL A 59 2.523 3.928 1.579 1.00 0.00 H new ATOM 0 HB VAL A 59 0.743 2.761 3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.785 1.742 4.674 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.386 1.090 3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.694 2.284 3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.188 4.066 5.261 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.072 4.704 3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.353 5.105 4.083 1.00 0.00 H new ATOM 868 N LEU A 60 2.246 1.935 0.130 1.00 0.00 N ATOM 869 CA LEU A 60 2.150 0.743 -0.705 1.00 0.00 C ATOM 870 C LEU A 60 2.274 -0.524 0.136 1.00 0.00 C ATOM 871 O LEU A 60 3.335 -0.812 0.691 1.00 0.00 O ATOM 872 CB LEU A 60 3.237 0.762 -1.782 1.00 0.00 C ATOM 873 CG LEU A 60 3.489 -0.562 -2.504 1.00 0.00 C ATOM 874 CD1 LEU A 60 2.374 -0.849 -3.497 1.00 0.00 C ATOM 875 CD2 LEU A 60 4.839 -0.537 -3.207 1.00 0.00 C ATOM 0 H LEU A 60 3.021 2.555 -0.107 1.00 0.00 H new ATOM 0 HA LEU A 60 1.171 0.744 -1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.971 1.513 -2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.171 1.086 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 60 3.502 -1.361 -1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.570 -1.795 -4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.423 -0.910 -2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.328 -0.048 -4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.002 -1.487 -3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.854 0.273 -3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.629 -0.378 -2.473 1.00 0.00 H new ATOM 887 N VAL A 61 1.183 -1.278 0.225 1.00 0.00 N ATOM 888 CA VAL A 61 1.170 -2.515 0.996 1.00 0.00 C ATOM 889 C VAL A 61 1.307 -3.731 0.086 1.00 0.00 C ATOM 890 O VAL A 61 0.477 -3.958 -0.793 1.00 0.00 O ATOM 891 CB VAL A 61 -0.123 -2.649 1.822 1.00 0.00 C ATOM 892 CG1 VAL A 61 -0.247 -4.051 2.398 1.00 0.00 C ATOM 893 CG2 VAL A 61 -0.159 -1.604 2.927 1.00 0.00 C ATOM 0 H VAL A 61 0.297 -1.054 -0.227 1.00 0.00 H new ATOM 0 HA VAL A 61 2.022 -2.474 1.674 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.974 -2.478 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.167 -4.126 2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.270 -4.777 1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.607 -4.256 3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.079 -1.713 3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.698 -1.742 3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.122 -0.608 2.487 1.00 0.00 H new ATOM 903 N VAL A 62 2.361 -4.511 0.305 1.00 0.00 N ATOM 904 CA VAL A 62 2.607 -5.705 -0.495 1.00 0.00 C ATOM 905 C VAL A 62 2.618 -6.956 0.376 1.00 0.00 C ATOM 906 O VAL A 62 3.006 -6.909 1.543 1.00 0.00 O ATOM 907 CB VAL A 62 3.945 -5.608 -1.252 1.00 0.00 C ATOM 908 CG1 VAL A 62 4.012 -6.655 -2.353 1.00 0.00 C ATOM 909 CG2 VAL A 62 4.135 -4.211 -1.821 1.00 0.00 C ATOM 0 H VAL A 62 3.058 -4.338 1.029 1.00 0.00 H new ATOM 0 HA VAL A 62 1.794 -5.775 -1.218 1.00 0.00 H new ATOM 0 HB VAL A 62 4.755 -5.802 -0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.964 -6.571 -2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.925 -7.649 -1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.195 -6.496 -3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.085 -4.161 -2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.321 -3.985 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.135 -3.484 -1.009 1.00 0.00 H new ATOM 919 N TRP A 63 2.189 -8.074 -0.199 1.00 0.00 N ATOM 920 CA TRP A 63 2.149 -9.339 0.525 1.00 0.00 C ATOM 921 C TRP A 63 3.433 -10.133 0.306 1.00 0.00 C ATOM 922 O TRP A 63 3.928 -10.231 -0.817 1.00 0.00 O ATOM 923 CB TRP A 63 0.942 -10.167 0.082 1.00 0.00 C ATOM 924 CG TRP A 63 1.010 -11.599 0.520 1.00 0.00 C ATOM 925 CD1 TRP A 63 1.298 -12.682 -0.261 1.00 0.00 C ATOM 926 CD2 TRP A 63 0.784 -12.103 1.841 1.00 0.00 C ATOM 927 NE1 TRP A 63 1.264 -13.828 0.495 1.00 0.00 N ATOM 928 CE2 TRP A 63 0.952 -13.500 1.788 1.00 0.00 C ATOM 929 CE3 TRP A 63 0.458 -11.509 3.063 1.00 0.00 C ATOM 930 CZ2 TRP A 63 0.803 -14.310 2.910 1.00 0.00 C ATOM 931 CZ3 TRP A 63 0.310 -12.315 4.176 1.00 0.00 C ATOM 932 CH2 TRP A 63 0.484 -13.703 4.094 1.00 0.00 C ATOM 0 H TRP A 63 1.864 -8.130 -1.164 1.00 0.00 H new ATOM 0 HA TRP A 63 2.058 -9.117 1.588 1.00 0.00 H new ATOM 0 HB2 TRP A 63 0.034 -9.715 0.482 1.00 0.00 H new ATOM 0 HB3 TRP A 63 0.865 -10.130 -1.005 1.00 0.00 H new ATOM 0 HD1 TRP A 63 1.520 -12.643 -1.317 1.00 0.00 H new ATOM 0 HE1 TRP A 63 1.442 -14.771 0.150 1.00 0.00 H new ATOM 0 HE3 TRP A 63 0.324 -10.440 3.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 0.935 -15.380 2.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 0.056 -11.867 5.125 1.00 0.00 H new ATOM 0 HH2 TRP A 63 0.364 -14.305 4.982 1.00 0.00 H new ATOM 943 N ASP A 64 3.966 -10.697 1.384 1.00 0.00 N ATOM 944 CA ASP A 64 5.192 -11.483 1.308 1.00 0.00 C ATOM 945 C ASP A 64 4.893 -12.972 1.451 1.00 0.00 C ATOM 946 O ASP A 64 4.614 -13.455 2.548 1.00 0.00 O ATOM 947 CB ASP A 64 6.175 -11.041 2.393 1.00 0.00 C ATOM 948 CG ASP A 64 6.359 -9.536 2.429 1.00 0.00 C ATOM 949 OD1 ASP A 64 5.777 -8.846 1.567 1.00 0.00 O ATOM 950 OD2 ASP A 64 7.086 -9.049 3.320 1.00 0.00 O ATOM 0 H ASP A 64 3.569 -10.625 2.321 1.00 0.00 H new ATOM 0 HA ASP A 64 5.642 -11.314 0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.818 -11.384 3.364 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.140 -11.518 2.221 1.00 0.00 H new ATOM 955 N GLU A 65 4.951 -13.692 0.336 1.00 0.00 N ATOM 956 CA GLU A 65 4.684 -15.126 0.338 1.00 0.00 C ATOM 957 C GLU A 65 5.851 -15.896 0.950 1.00 0.00 C ATOM 958 O GLU A 65 5.660 -16.924 1.599 1.00 0.00 O ATOM 959 CB GLU A 65 4.423 -15.621 -1.086 1.00 0.00 C ATOM 960 CG GLU A 65 4.383 -17.135 -1.207 1.00 0.00 C ATOM 961 CD GLU A 65 5.762 -17.761 -1.149 1.00 0.00 C ATOM 962 OE1 GLU A 65 6.649 -17.318 -1.908 1.00 0.00 O ATOM 963 OE2 GLU A 65 5.955 -18.696 -0.343 1.00 0.00 O ATOM 0 H GLU A 65 5.180 -13.307 -0.580 1.00 0.00 H new ATOM 0 HA GLU A 65 3.796 -15.303 0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.475 -15.212 -1.436 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.200 -15.233 -1.745 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.768 -17.544 -0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.903 -17.408 -2.147 1.00 0.00 H new ATOM 970 N THR A 66 7.062 -15.390 0.737 1.00 0.00 N ATOM 971 CA THR A 66 8.261 -16.030 1.265 1.00 0.00 C ATOM 972 C THR A 66 8.330 -15.901 2.782 1.00 0.00 C ATOM 973 O THR A 66 8.786 -16.813 3.472 1.00 0.00 O ATOM 974 CB THR A 66 9.537 -15.425 0.651 1.00 0.00 C ATOM 975 OG1 THR A 66 9.493 -13.996 0.738 1.00 0.00 O ATOM 976 CG2 THR A 66 9.689 -15.845 -0.804 1.00 0.00 C ATOM 0 H THR A 66 7.238 -14.539 0.203 1.00 0.00 H new ATOM 0 HA THR A 66 8.202 -17.084 0.995 1.00 0.00 H new ATOM 0 HB THR A 66 10.395 -15.796 1.212 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.063 -13.695 1.476 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.597 -15.406 -1.217 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.752 -16.932 -0.864 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.827 -15.499 -1.375 1.00 0.00 H new ATOM 984 N SER A 67 7.874 -14.763 3.296 1.00 0.00 N ATOM 985 CA SER A 67 7.888 -14.513 4.732 1.00 0.00 C ATOM 986 C SER A 67 6.497 -14.704 5.330 1.00 0.00 C ATOM 987 O SER A 67 6.345 -14.856 6.541 1.00 0.00 O ATOM 988 CB SER A 67 8.389 -13.097 5.021 1.00 0.00 C ATOM 989 OG SER A 67 9.795 -13.012 4.864 1.00 0.00 O ATOM 0 H SER A 67 7.490 -14.000 2.739 1.00 0.00 H new ATOM 0 HA SER A 67 8.566 -15.231 5.194 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.901 -12.391 4.349 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.115 -12.811 6.037 1.00 0.00 H new ATOM 0 HG SER A 67 10.090 -12.097 5.053 1.00 0.00 H new ATOM 995 N ASN A 68 5.484 -14.696 4.469 1.00 0.00 N ATOM 996 CA ASN A 68 4.105 -14.867 4.911 1.00 0.00 C ATOM 997 C ASN A 68 3.664 -13.698 5.787 1.00 0.00 C ATOM 998 O ASN A 68 3.031 -13.889 6.825 1.00 0.00 O ATOM 999 CB ASN A 68 3.953 -16.181 5.680 1.00 0.00 C ATOM 1000 CG ASN A 68 2.516 -16.662 5.725 1.00 0.00 C ATOM 1001 OD1 ASN A 68 1.865 -16.615 6.769 1.00 0.00 O ATOM 1002 ND2 ASN A 68 2.013 -17.130 4.588 1.00 0.00 N ATOM 0 H ASN A 68 5.592 -14.573 3.462 1.00 0.00 H new ATOM 0 HA ASN A 68 3.468 -14.895 4.027 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.575 -16.945 5.214 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.321 -16.048 6.697 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.051 -17.469 4.557 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.588 -17.151 3.746 1.00 0.00 H new ATOM 1009 N LYS A 69 4.004 -12.486 5.361 1.00 0.00 N ATOM 1010 CA LYS A 69 3.643 -11.284 6.104 1.00 0.00 C ATOM 1011 C LYS A 69 3.475 -10.094 5.165 1.00 0.00 C ATOM 1012 O LYS A 69 3.993 -10.094 4.048 1.00 0.00 O ATOM 1013 CB LYS A 69 4.709 -10.971 7.156 1.00 0.00 C ATOM 1014 CG LYS A 69 6.101 -10.791 6.576 1.00 0.00 C ATOM 1015 CD LYS A 69 7.120 -10.477 7.659 1.00 0.00 C ATOM 1016 CE LYS A 69 6.929 -9.074 8.214 1.00 0.00 C ATOM 1017 NZ LYS A 69 7.785 -8.828 9.407 1.00 0.00 N ATOM 0 H LYS A 69 4.529 -12.310 4.505 1.00 0.00 H new ATOM 0 HA LYS A 69 2.692 -11.467 6.603 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.426 -10.063 7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.731 -11.777 7.889 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.397 -11.698 6.049 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.089 -9.985 5.842 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.030 -11.204 8.466 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.127 -10.575 7.252 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.165 -8.343 7.441 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.882 -8.929 8.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.626 -7.861 9.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.543 -9.509 10.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.785 -8.941 9.146 1.00 0.00 H new ATOM 1031 N VAL A 70 2.748 -9.081 5.625 1.00 0.00 N ATOM 1032 CA VAL A 70 2.515 -7.883 4.828 1.00 0.00 C ATOM 1033 C VAL A 70 3.561 -6.814 5.121 1.00 0.00 C ATOM 1034 O VAL A 70 4.117 -6.760 6.218 1.00 0.00 O ATOM 1035 CB VAL A 70 1.113 -7.299 5.089 1.00 0.00 C ATOM 1036 CG1 VAL A 70 0.039 -8.328 4.773 1.00 0.00 C ATOM 1037 CG2 VAL A 70 0.997 -6.819 6.528 1.00 0.00 C ATOM 0 H VAL A 70 2.310 -9.066 6.546 1.00 0.00 H new ATOM 0 HA VAL A 70 2.588 -8.181 3.782 1.00 0.00 H new ATOM 0 HB VAL A 70 0.966 -6.443 4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.944 -7.898 4.963 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.111 -8.619 3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.179 -9.206 5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.001 -6.409 6.696 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.164 -7.656 7.205 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.743 -6.047 6.715 1.00 0.00 H new ATOM 1047 N ARG A 71 3.825 -5.965 4.133 1.00 0.00 N ATOM 1048 CA ARG A 71 4.806 -4.897 4.285 1.00 0.00 C ATOM 1049 C ARG A 71 4.153 -3.530 4.107 1.00 0.00 C ATOM 1050 O ARG A 71 3.096 -3.411 3.489 1.00 0.00 O ATOM 1051 CB ARG A 71 5.939 -5.069 3.271 1.00 0.00 C ATOM 1052 CG ARG A 71 6.710 -6.369 3.434 1.00 0.00 C ATOM 1053 CD ARG A 71 7.715 -6.282 4.571 1.00 0.00 C ATOM 1054 NE ARG A 71 8.929 -7.043 4.288 1.00 0.00 N ATOM 1055 CZ ARG A 71 9.714 -7.553 5.230 1.00 0.00 C ATOM 1056 NH1 ARG A 71 9.413 -7.384 6.511 1.00 0.00 N ATOM 1057 NH2 ARG A 71 10.802 -8.233 4.893 1.00 0.00 N ATOM 0 H ARG A 71 3.373 -5.996 3.219 1.00 0.00 H new ATOM 0 HA ARG A 71 5.217 -4.956 5.293 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.524 -5.027 2.264 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.631 -4.232 3.366 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.013 -7.185 3.625 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.229 -6.604 2.505 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.974 -5.238 4.746 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.259 -6.655 5.488 1.00 0.00 H new ATOM 0 HE ARG A 71 9.188 -7.191 3.313 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.577 -6.862 6.774 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.017 -7.777 7.233 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.037 -8.365 3.909 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.404 -8.624 5.618 1.00 0.00 H new ATOM 1071 N ASN A 72 4.790 -2.500 4.654 1.00 0.00 N ATOM 1072 CA ASN A 72 4.271 -1.140 4.557 1.00 0.00 C ATOM 1073 C ASN A 72 5.300 -0.208 3.926 1.00 0.00 C ATOM 1074 O ASN A 72 6.302 0.142 4.551 1.00 0.00 O ATOM 1075 CB ASN A 72 3.878 -0.622 5.942 1.00 0.00 C ATOM 1076 CG ASN A 72 2.678 -1.351 6.514 1.00 0.00 C ATOM 1077 OD1 ASN A 72 1.538 -1.096 6.124 1.00 0.00 O ATOM 1078 ND2 ASN A 72 2.929 -2.266 7.444 1.00 0.00 N ATOM 0 H ASN A 72 5.667 -2.581 5.169 1.00 0.00 H new ATOM 0 HA ASN A 72 3.387 -1.160 3.920 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.724 -0.732 6.621 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.656 0.443 5.879 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.161 -2.790 7.865 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.889 -2.445 7.737 1.00 0.00 H new ATOM 1085 N TYR A 73 5.047 0.190 2.685 1.00 0.00 N ATOM 1086 CA TYR A 73 5.952 1.081 1.968 1.00 0.00 C ATOM 1087 C TYR A 73 5.329 2.461 1.787 1.00 0.00 C ATOM 1088 O TYR A 73 4.642 2.720 0.799 1.00 0.00 O ATOM 1089 CB TYR A 73 6.310 0.488 0.604 1.00 0.00 C ATOM 1090 CG TYR A 73 7.088 -0.806 0.691 1.00 0.00 C ATOM 1091 CD1 TYR A 73 8.455 -0.802 0.937 1.00 0.00 C ATOM 1092 CD2 TYR A 73 6.454 -2.032 0.529 1.00 0.00 C ATOM 1093 CE1 TYR A 73 9.170 -1.982 1.017 1.00 0.00 C ATOM 1094 CE2 TYR A 73 7.161 -3.217 0.608 1.00 0.00 C ATOM 1095 CZ TYR A 73 8.518 -3.187 0.852 1.00 0.00 C ATOM 1096 OH TYR A 73 9.226 -4.364 0.932 1.00 0.00 O ATOM 0 H TYR A 73 4.222 -0.090 2.154 1.00 0.00 H new ATOM 0 HA TYR A 73 6.861 1.188 2.561 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.393 0.314 0.041 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.895 1.217 0.043 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.968 0.139 1.068 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.391 -2.059 0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.233 -1.961 1.208 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.653 -4.162 0.479 1.00 0.00 H new ATOM 0 HH TYR A 73 10.138 -4.220 0.603 1.00 0.00 H new ATOM 1106 N ARG A 74 5.575 3.345 2.749 1.00 0.00 N ATOM 1107 CA ARG A 74 5.038 4.699 2.698 1.00 0.00 C ATOM 1108 C ARG A 74 5.444 5.396 1.402 1.00 0.00 C ATOM 1109 O ARG A 74 6.577 5.257 0.940 1.00 0.00 O ATOM 1110 CB ARG A 74 5.526 5.510 3.900 1.00 0.00 C ATOM 1111 CG ARG A 74 6.882 6.163 3.684 1.00 0.00 C ATOM 1112 CD ARG A 74 7.997 5.130 3.640 1.00 0.00 C ATOM 1113 NE ARG A 74 8.588 4.906 4.957 1.00 0.00 N ATOM 1114 CZ ARG A 74 9.252 3.804 5.286 1.00 0.00 C ATOM 1115 NH1 ARG A 74 9.408 2.830 4.400 1.00 0.00 N ATOM 1116 NH2 ARG A 74 9.761 3.674 6.505 1.00 0.00 N ATOM 0 H ARG A 74 6.143 3.147 3.573 1.00 0.00 H new ATOM 0 HA ARG A 74 3.950 4.633 2.730 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.792 6.283 4.128 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.581 4.856 4.770 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.871 6.728 2.752 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.076 6.875 4.486 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.605 4.189 3.254 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.771 5.461 2.947 1.00 0.00 H new ATOM 0 HE ARG A 74 8.485 5.636 5.662 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.017 2.926 3.463 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.919 1.985 4.656 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.642 4.421 7.190 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.271 2.827 6.757 1.00 0.00 H new ATOM 1130 N ILE A 75 4.512 6.144 0.822 1.00 0.00 N ATOM 1131 CA ILE A 75 4.773 6.863 -0.419 1.00 0.00 C ATOM 1132 C ILE A 75 4.766 8.371 -0.193 1.00 0.00 C ATOM 1133 O ILE A 75 3.741 8.951 0.168 1.00 0.00 O ATOM 1134 CB ILE A 75 3.734 6.512 -1.501 1.00 0.00 C ATOM 1135 CG1 ILE A 75 3.625 4.994 -1.661 1.00 0.00 C ATOM 1136 CG2 ILE A 75 4.108 7.164 -2.824 1.00 0.00 C ATOM 1137 CD1 ILE A 75 2.247 4.528 -2.076 1.00 0.00 C ATOM 0 H ILE A 75 3.569 6.268 1.191 1.00 0.00 H new ATOM 0 HA ILE A 75 5.761 6.555 -0.761 1.00 0.00 H new ATOM 0 HB ILE A 75 2.762 6.896 -1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.351 4.662 -2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.892 4.517 -0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.365 6.907 -3.579 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.140 8.246 -2.700 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.087 6.806 -3.142 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.243 3.442 -2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.519 4.829 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.985 4.976 -3.034 1.00 0.00 H new ATOM 1149 N PHE A 76 5.915 9.001 -0.410 1.00 0.00 N ATOM 1150 CA PHE A 76 6.042 10.443 -0.231 1.00 0.00 C ATOM 1151 C PHE A 76 5.765 11.180 -1.539 1.00 0.00 C ATOM 1152 O PHE A 76 5.950 10.629 -2.624 1.00 0.00 O ATOM 1153 CB PHE A 76 7.441 10.794 0.279 1.00 0.00 C ATOM 1154 CG PHE A 76 7.782 10.144 1.589 1.00 0.00 C ATOM 1155 CD1 PHE A 76 7.426 10.742 2.788 1.00 0.00 C ATOM 1156 CD2 PHE A 76 8.458 8.935 1.623 1.00 0.00 C ATOM 1157 CE1 PHE A 76 7.737 10.146 3.995 1.00 0.00 C ATOM 1158 CE2 PHE A 76 8.772 8.335 2.828 1.00 0.00 C ATOM 1159 CZ PHE A 76 8.412 8.941 4.015 1.00 0.00 C ATOM 0 H PHE A 76 6.772 8.536 -0.710 1.00 0.00 H new ATOM 0 HA PHE A 76 5.304 10.759 0.507 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.177 10.496 -0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.518 11.876 0.388 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.899 11.685 2.778 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.743 8.456 0.698 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.453 10.622 4.922 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.299 7.392 2.841 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.658 8.474 4.957 1.00 0.00 H new ATOM 1169 N GLU A 77 5.322 12.428 -1.426 1.00 0.00 N ATOM 1170 CA GLU A 77 5.019 13.239 -2.599 1.00 0.00 C ATOM 1171 C GLU A 77 6.011 14.390 -2.736 1.00 0.00 C ATOM 1172 O GLU A 77 5.877 15.423 -2.079 1.00 0.00 O ATOM 1173 CB GLU A 77 3.593 13.788 -2.512 1.00 0.00 C ATOM 1174 CG GLU A 77 3.103 14.416 -3.806 1.00 0.00 C ATOM 1175 CD GLU A 77 2.013 15.446 -3.578 1.00 0.00 C ATOM 1176 OE1 GLU A 77 1.110 15.181 -2.758 1.00 0.00 O ATOM 1177 OE2 GLU A 77 2.064 16.515 -4.221 1.00 0.00 O ATOM 0 H GLU A 77 5.165 12.899 -0.535 1.00 0.00 H new ATOM 0 HA GLU A 77 5.103 12.603 -3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.918 12.979 -2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.547 14.532 -1.717 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.942 14.888 -4.317 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.727 13.634 -4.465 1.00 0.00 H new ATOM 1184 N LYS A 78 7.009 14.204 -3.593 1.00 0.00 N ATOM 1185 CA LYS A 78 8.025 15.225 -3.818 1.00 0.00 C ATOM 1186 C LYS A 78 8.134 15.567 -5.301 1.00 0.00 C ATOM 1187 O LYS A 78 8.213 14.678 -6.149 1.00 0.00 O ATOM 1188 CB LYS A 78 9.381 14.749 -3.294 1.00 0.00 C ATOM 1189 CG LYS A 78 10.561 15.502 -3.884 1.00 0.00 C ATOM 1190 CD LYS A 78 11.881 14.838 -3.530 1.00 0.00 C ATOM 1191 CE LYS A 78 12.317 15.184 -2.115 1.00 0.00 C ATOM 1192 NZ LYS A 78 13.792 15.068 -1.945 1.00 0.00 N ATOM 0 H LYS A 78 7.136 13.355 -4.144 1.00 0.00 H new ATOM 0 HA LYS A 78 7.727 16.123 -3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.399 14.855 -2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.493 13.687 -3.513 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.457 15.551 -4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.559 16.528 -3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.783 13.757 -3.628 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.649 15.154 -4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.003 16.200 -1.876 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.817 14.521 -1.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.049 15.312 -0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.089 14.092 -2.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.269 15.719 -2.601 1.00 0.00 H new ATOM 1206 N ASP A 79 8.137 16.860 -5.606 1.00 0.00 N ATOM 1207 CA ASP A 79 8.238 17.319 -6.987 1.00 0.00 C ATOM 1208 C ASP A 79 7.134 16.710 -7.845 1.00 0.00 C ATOM 1209 O ASP A 79 7.332 16.439 -9.029 1.00 0.00 O ATOM 1210 CB ASP A 79 9.608 16.962 -7.566 1.00 0.00 C ATOM 1211 CG ASP A 79 10.661 18.005 -7.249 1.00 0.00 C ATOM 1212 OD1 ASP A 79 11.264 17.927 -6.159 1.00 0.00 O ATOM 1213 OD2 ASP A 79 10.882 18.901 -8.092 1.00 0.00 O ATOM 0 H ASP A 79 8.071 17.609 -4.916 1.00 0.00 H new ATOM 0 HA ASP A 79 8.121 18.403 -6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.926 15.997 -7.171 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.524 16.851 -8.647 1.00 0.00 H new ATOM 1218 N SER A 80 5.971 16.496 -7.238 1.00 0.00 N ATOM 1219 CA SER A 80 4.836 15.914 -7.945 1.00 0.00 C ATOM 1220 C SER A 80 5.155 14.496 -8.411 1.00 0.00 C ATOM 1221 O SER A 80 4.616 14.022 -9.412 1.00 0.00 O ATOM 1222 CB SER A 80 4.455 16.783 -9.145 1.00 0.00 C ATOM 1223 OG SER A 80 5.156 16.383 -10.309 1.00 0.00 O ATOM 0 H SER A 80 5.790 16.717 -6.259 1.00 0.00 H new ATOM 0 HA SER A 80 3.994 15.871 -7.255 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.382 16.714 -9.322 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.675 17.828 -8.926 1.00 0.00 H new ATOM 0 HG SER A 80 6.110 16.298 -10.103 1.00 0.00 H new ATOM 1229 N LYS A 81 6.037 13.824 -7.679 1.00 0.00 N ATOM 1230 CA LYS A 81 6.429 12.460 -8.014 1.00 0.00 C ATOM 1231 C LYS A 81 6.458 11.581 -6.768 1.00 0.00 C ATOM 1232 O LYS A 81 6.998 11.971 -5.733 1.00 0.00 O ATOM 1233 CB LYS A 81 7.803 12.454 -8.687 1.00 0.00 C ATOM 1234 CG LYS A 81 7.894 13.372 -9.894 1.00 0.00 C ATOM 1235 CD LYS A 81 8.882 12.847 -10.922 1.00 0.00 C ATOM 1236 CE LYS A 81 9.451 13.971 -11.773 1.00 0.00 C ATOM 1237 NZ LYS A 81 10.479 14.758 -11.037 1.00 0.00 N ATOM 0 H LYS A 81 6.494 14.202 -6.849 1.00 0.00 H new ATOM 0 HA LYS A 81 5.690 12.055 -8.706 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.557 12.751 -7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.042 11.437 -8.996 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.910 13.471 -10.352 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.198 14.368 -9.572 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.694 12.326 -10.415 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.388 12.118 -11.564 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.892 13.554 -12.678 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.644 14.632 -12.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.950 15.413 -11.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.022 15.299 -10.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.184 14.112 -10.628 1.00 0.00 H new ATOM 1251 N PHE A 82 5.874 10.392 -6.875 1.00 0.00 N ATOM 1252 CA PHE A 82 5.833 9.456 -5.757 1.00 0.00 C ATOM 1253 C PHE A 82 7.170 8.736 -5.601 1.00 0.00 C ATOM 1254 O PHE A 82 7.712 8.196 -6.566 1.00 0.00 O ATOM 1255 CB PHE A 82 4.712 8.435 -5.959 1.00 0.00 C ATOM 1256 CG PHE A 82 3.382 9.060 -6.271 1.00 0.00 C ATOM 1257 CD1 PHE A 82 2.730 9.841 -5.330 1.00 0.00 C ATOM 1258 CD2 PHE A 82 2.783 8.867 -7.506 1.00 0.00 C ATOM 1259 CE1 PHE A 82 1.506 10.416 -5.615 1.00 0.00 C ATOM 1260 CE2 PHE A 82 1.559 9.440 -7.796 1.00 0.00 C ATOM 1261 CZ PHE A 82 0.921 10.216 -6.850 1.00 0.00 C ATOM 0 H PHE A 82 5.422 10.054 -7.725 1.00 0.00 H new ATOM 0 HA PHE A 82 5.638 10.024 -4.848 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.987 7.761 -6.770 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.617 7.828 -5.058 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.183 10.002 -4.363 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.279 8.262 -8.251 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.007 11.021 -4.872 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.103 9.281 -8.762 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.034 10.666 -7.075 1.00 0.00 H new ATOM 1271 N TYR A 83 7.694 8.733 -4.381 1.00 0.00 N ATOM 1272 CA TYR A 83 8.968 8.083 -4.099 1.00 0.00 C ATOM 1273 C TYR A 83 8.947 7.416 -2.727 1.00 0.00 C ATOM 1274 O TYR A 83 8.129 7.755 -1.871 1.00 0.00 O ATOM 1275 CB TYR A 83 10.110 9.099 -4.166 1.00 0.00 C ATOM 1276 CG TYR A 83 10.224 9.964 -2.932 1.00 0.00 C ATOM 1277 CD1 TYR A 83 10.970 9.549 -1.835 1.00 0.00 C ATOM 1278 CD2 TYR A 83 9.586 11.197 -2.861 1.00 0.00 C ATOM 1279 CE1 TYR A 83 11.076 10.336 -0.705 1.00 0.00 C ATOM 1280 CE2 TYR A 83 9.689 11.991 -1.735 1.00 0.00 C ATOM 1281 CZ TYR A 83 10.435 11.556 -0.660 1.00 0.00 C ATOM 1282 OH TYR A 83 10.538 12.343 0.464 1.00 0.00 O ATOM 0 H TYR A 83 7.257 9.173 -3.572 1.00 0.00 H new ATOM 0 HA TYR A 83 9.129 7.315 -4.855 1.00 0.00 H new ATOM 0 HB2 TYR A 83 11.050 8.567 -4.315 1.00 0.00 H new ATOM 0 HB3 TYR A 83 9.965 9.739 -5.036 1.00 0.00 H new ATOM 0 HD1 TYR A 83 11.475 8.595 -1.867 1.00 0.00 H new ATOM 0 HD2 TYR A 83 9.000 11.540 -3.701 1.00 0.00 H new ATOM 0 HE1 TYR A 83 11.658 9.997 0.139 1.00 0.00 H new ATOM 0 HE2 TYR A 83 9.188 12.947 -1.697 1.00 0.00 H new ATOM 0 HH TYR A 83 10.028 13.170 0.332 1.00 0.00 H new ATOM 1292 N LEU A 84 9.852 6.465 -2.524 1.00 0.00 N ATOM 1293 CA LEU A 84 9.940 5.749 -1.256 1.00 0.00 C ATOM 1294 C LEU A 84 11.301 5.965 -0.602 1.00 0.00 C ATOM 1295 O LEU A 84 11.419 5.956 0.623 1.00 0.00 O ATOM 1296 CB LEU A 84 9.697 4.255 -1.474 1.00 0.00 C ATOM 1297 CG LEU A 84 8.539 3.892 -2.405 1.00 0.00 C ATOM 1298 CD1 LEU A 84 8.406 2.382 -2.528 1.00 0.00 C ATOM 1299 CD2 LEU A 84 7.240 4.505 -1.905 1.00 0.00 C ATOM 0 H LEU A 84 10.536 6.172 -3.222 1.00 0.00 H new ATOM 0 HA LEU A 84 9.172 6.142 -0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.610 3.813 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.516 3.791 -0.504 1.00 0.00 H new ATOM 0 HG LEU A 84 8.752 4.299 -3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.577 2.143 -3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.329 1.967 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.217 1.952 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.427 4.236 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.021 4.129 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.339 5.590 -1.871 1.00 0.00 H new ATOM 1311 N GLU A 85 12.324 6.160 -1.428 1.00 0.00 N ATOM 1312 CA GLU A 85 13.677 6.379 -0.928 1.00 0.00 C ATOM 1313 C GLU A 85 13.938 7.865 -0.699 1.00 0.00 C ATOM 1314 O GLU A 85 14.069 8.315 0.439 1.00 0.00 O ATOM 1315 CB GLU A 85 14.705 5.815 -1.911 1.00 0.00 C ATOM 1316 CG GLU A 85 14.290 4.493 -2.535 1.00 0.00 C ATOM 1317 CD GLU A 85 14.746 3.296 -1.723 1.00 0.00 C ATOM 1318 OE1 GLU A 85 15.914 2.883 -1.880 1.00 0.00 O ATOM 1319 OE2 GLU A 85 13.935 2.774 -0.930 1.00 0.00 O ATOM 0 H GLU A 85 12.242 6.171 -2.445 1.00 0.00 H new ATOM 0 HA GLU A 85 13.773 5.859 0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 85 14.875 6.544 -2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 85 15.655 5.680 -1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.205 4.467 -2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 85 14.704 4.424 -3.541 1.00 0.00 H new ATOM 1326 N GLY A 86 14.012 8.622 -1.789 1.00 0.00 N ATOM 1327 CA GLY A 86 14.258 10.049 -1.686 1.00 0.00 C ATOM 1328 C GLY A 86 14.789 10.640 -2.977 1.00 0.00 C ATOM 1329 O GLY A 86 14.568 11.816 -3.265 1.00 0.00 O ATOM 0 H GLY A 86 13.906 8.273 -2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.333 10.555 -1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.973 10.235 -0.884 1.00 0.00 H new ATOM 1333 N GLU A 87 15.493 9.823 -3.755 1.00 0.00 N ATOM 1334 CA GLU A 87 16.059 10.275 -5.020 1.00 0.00 C ATOM 1335 C GLU A 87 15.361 9.604 -6.199 1.00 0.00 C ATOM 1336 O GLU A 87 15.432 10.081 -7.331 1.00 0.00 O ATOM 1337 CB GLU A 87 17.560 9.979 -5.067 1.00 0.00 C ATOM 1338 CG GLU A 87 17.898 8.511 -4.874 1.00 0.00 C ATOM 1339 CD GLU A 87 19.391 8.250 -4.877 1.00 0.00 C ATOM 1340 OE1 GLU A 87 20.126 9.013 -5.537 1.00 0.00 O ATOM 1341 OE2 GLU A 87 19.825 7.282 -4.217 1.00 0.00 O ATOM 0 H GLU A 87 15.684 8.846 -3.531 1.00 0.00 H new ATOM 0 HA GLU A 87 15.905 11.352 -5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.957 10.311 -6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 87 18.061 10.563 -4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.475 8.166 -3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.429 7.927 -5.666 1.00 0.00 H new ATOM 1348 N VAL A 88 14.685 8.492 -5.924 1.00 0.00 N ATOM 1349 CA VAL A 88 13.973 7.754 -6.961 1.00 0.00 C ATOM 1350 C VAL A 88 12.465 7.932 -6.823 1.00 0.00 C ATOM 1351 O VAL A 88 11.825 7.281 -5.996 1.00 0.00 O ATOM 1352 CB VAL A 88 14.308 6.252 -6.911 1.00 0.00 C ATOM 1353 CG1 VAL A 88 13.491 5.488 -7.942 1.00 0.00 C ATOM 1354 CG2 VAL A 88 15.797 6.031 -7.131 1.00 0.00 C ATOM 0 H VAL A 88 14.616 8.083 -4.992 1.00 0.00 H new ATOM 0 HA VAL A 88 14.298 8.159 -7.919 1.00 0.00 H new ATOM 0 HB VAL A 88 14.049 5.873 -5.923 1.00 0.00 H new ATOM 0 HG11 VAL A 88 13.741 4.428 -7.892 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.429 5.620 -7.735 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.717 5.867 -8.939 1.00 0.00 H new ATOM 0 HG21 VAL A 88 16.016 4.964 -7.092 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.083 6.425 -8.106 1.00 0.00 H new ATOM 0 HG23 VAL A 88 16.360 6.545 -6.352 1.00 0.00 H new ATOM 1364 N LEU A 89 11.902 8.817 -7.639 1.00 0.00 N ATOM 1365 CA LEU A 89 10.468 9.080 -7.610 1.00 0.00 C ATOM 1366 C LEU A 89 9.815 8.684 -8.930 1.00 0.00 C ATOM 1367 O LEU A 89 10.482 8.203 -9.846 1.00 0.00 O ATOM 1368 CB LEU A 89 10.207 10.560 -7.323 1.00 0.00 C ATOM 1369 CG LEU A 89 11.251 11.270 -6.460 1.00 0.00 C ATOM 1370 CD1 LEU A 89 12.340 11.877 -7.330 1.00 0.00 C ATOM 1371 CD2 LEU A 89 10.593 12.341 -5.601 1.00 0.00 C ATOM 0 H LEU A 89 12.417 9.364 -8.329 1.00 0.00 H new ATOM 0 HA LEU A 89 10.029 8.478 -6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.132 11.086 -8.275 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.238 10.649 -6.832 1.00 0.00 H new ATOM 0 HG LEU A 89 11.710 10.534 -5.800 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.074 12.378 -6.698 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.831 11.089 -7.901 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.898 12.600 -8.015 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.350 12.836 -4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.107 13.075 -6.244 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.850 11.880 -4.950 1.00 0.00 H new ATOM 1383 N PHE A 90 8.505 8.891 -9.022 1.00 0.00 N ATOM 1384 CA PHE A 90 7.761 8.556 -10.230 1.00 0.00 C ATOM 1385 C PHE A 90 6.606 9.530 -10.446 1.00 0.00 C ATOM 1386 O PHE A 90 5.720 9.657 -9.601 1.00 0.00 O ATOM 1387 CB PHE A 90 7.226 7.125 -10.146 1.00 0.00 C ATOM 1388 CG PHE A 90 8.301 6.094 -9.949 1.00 0.00 C ATOM 1389 CD1 PHE A 90 8.734 5.760 -8.676 1.00 0.00 C ATOM 1390 CD2 PHE A 90 8.878 5.460 -11.037 1.00 0.00 C ATOM 1391 CE1 PHE A 90 9.723 4.812 -8.492 1.00 0.00 C ATOM 1392 CE2 PHE A 90 9.868 4.511 -10.859 1.00 0.00 C ATOM 1393 CZ PHE A 90 10.290 4.186 -9.585 1.00 0.00 C ATOM 0 H PHE A 90 7.937 9.289 -8.274 1.00 0.00 H new ATOM 0 HA PHE A 90 8.442 8.633 -11.078 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.515 7.059 -9.322 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.677 6.896 -11.060 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.294 6.246 -7.818 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.551 5.710 -12.036 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.052 4.561 -7.494 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.311 4.025 -11.716 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.062 3.444 -9.443 1.00 0.00 H new ATOM 1403 N VAL A 91 6.625 10.218 -11.583 1.00 0.00 N ATOM 1404 CA VAL A 91 5.580 11.181 -11.911 1.00 0.00 C ATOM 1405 C VAL A 91 4.202 10.646 -11.537 1.00 0.00 C ATOM 1406 O VAL A 91 3.265 11.413 -11.317 1.00 0.00 O ATOM 1407 CB VAL A 91 5.592 11.534 -13.410 1.00 0.00 C ATOM 1408 CG1 VAL A 91 4.849 10.478 -14.214 1.00 0.00 C ATOM 1409 CG2 VAL A 91 4.989 12.912 -13.638 1.00 0.00 C ATOM 0 H VAL A 91 7.352 10.127 -12.292 1.00 0.00 H new ATOM 0 HA VAL A 91 5.786 12.081 -11.332 1.00 0.00 H new ATOM 0 HB VAL A 91 6.627 11.555 -13.752 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.868 10.745 -15.271 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.330 9.510 -14.075 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.815 10.422 -13.873 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.006 13.145 -14.703 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.959 12.922 -13.280 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.569 13.658 -13.094 1.00 0.00 H new ATOM 1419 N SER A 92 4.086 9.323 -11.467 1.00 0.00 N ATOM 1420 CA SER A 92 2.822 8.684 -11.123 1.00 0.00 C ATOM 1421 C SER A 92 3.053 7.275 -10.588 1.00 0.00 C ATOM 1422 O SER A 92 4.005 6.598 -10.979 1.00 0.00 O ATOM 1423 CB SER A 92 1.903 8.633 -12.345 1.00 0.00 C ATOM 1424 OG SER A 92 2.575 8.088 -13.467 1.00 0.00 O ATOM 0 H SER A 92 4.852 8.674 -11.644 1.00 0.00 H new ATOM 0 HA SER A 92 2.345 9.276 -10.342 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.023 8.032 -12.117 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.551 9.637 -12.581 1.00 0.00 H new ATOM 0 HG SER A 92 1.965 8.065 -14.234 1.00 0.00 H new ATOM 1430 N VAL A 93 2.176 6.838 -9.689 1.00 0.00 N ATOM 1431 CA VAL A 93 2.283 5.508 -9.100 1.00 0.00 C ATOM 1432 C VAL A 93 2.453 4.442 -10.176 1.00 0.00 C ATOM 1433 O VAL A 93 3.295 3.553 -10.056 1.00 0.00 O ATOM 1434 CB VAL A 93 1.044 5.170 -8.250 1.00 0.00 C ATOM 1435 CG1 VAL A 93 1.177 3.783 -7.640 1.00 0.00 C ATOM 1436 CG2 VAL A 93 0.839 6.219 -7.168 1.00 0.00 C ATOM 0 H VAL A 93 1.384 7.386 -9.353 1.00 0.00 H new ATOM 0 HA VAL A 93 3.164 5.516 -8.458 1.00 0.00 H new ATOM 0 HB VAL A 93 0.168 5.173 -8.899 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.292 3.562 -7.043 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.272 3.043 -8.435 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.062 3.748 -7.004 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.041 5.965 -6.577 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.715 6.250 -6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.695 7.196 -7.631 1.00 0.00 H new ATOM 1446 N GLY A 94 1.648 4.539 -11.230 1.00 0.00 N ATOM 1447 CA GLY A 94 1.726 3.576 -12.314 1.00 0.00 C ATOM 1448 C GLY A 94 3.155 3.271 -12.717 1.00 0.00 C ATOM 1449 O GLY A 94 3.595 2.124 -12.647 1.00 0.00 O ATOM 0 H GLY A 94 0.944 5.267 -11.353 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.232 2.653 -12.012 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.183 3.960 -13.177 1.00 0.00 H new ATOM 1453 N SER A 95 3.881 4.300 -13.142 1.00 0.00 N ATOM 1454 CA SER A 95 5.267 4.135 -13.563 1.00 0.00 C ATOM 1455 C SER A 95 6.078 3.413 -12.492 1.00 0.00 C ATOM 1456 O SER A 95 6.831 2.486 -12.788 1.00 0.00 O ATOM 1457 CB SER A 95 5.896 5.497 -13.863 1.00 0.00 C ATOM 1458 OG SER A 95 5.699 5.863 -15.218 1.00 0.00 O ATOM 0 H SER A 95 3.532 5.257 -13.204 1.00 0.00 H new ATOM 0 HA SER A 95 5.276 3.530 -14.470 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.459 6.254 -13.212 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.963 5.464 -13.643 1.00 0.00 H new ATOM 0 HG SER A 95 6.109 6.738 -15.383 1.00 0.00 H new ATOM 1464 N MET A 96 5.918 3.845 -11.245 1.00 0.00 N ATOM 1465 CA MET A 96 6.635 3.239 -10.129 1.00 0.00 C ATOM 1466 C MET A 96 6.440 1.726 -10.115 1.00 0.00 C ATOM 1467 O MET A 96 7.405 0.966 -10.029 1.00 0.00 O ATOM 1468 CB MET A 96 6.158 3.838 -8.804 1.00 0.00 C ATOM 1469 CG MET A 96 6.916 3.316 -7.594 1.00 0.00 C ATOM 1470 SD MET A 96 6.505 4.206 -6.080 1.00 0.00 S ATOM 1471 CE MET A 96 4.785 3.751 -5.877 1.00 0.00 C ATOM 0 H MET A 96 5.299 4.612 -10.982 1.00 0.00 H new ATOM 0 HA MET A 96 7.697 3.450 -10.254 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.261 4.922 -8.847 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.097 3.623 -8.678 1.00 0.00 H new ATOM 0 HG2 MET A 96 6.694 2.257 -7.460 1.00 0.00 H new ATOM 0 HG3 MET A 96 7.987 3.396 -7.779 1.00 0.00 H new ATOM 0 HE1 MET A 96 4.557 3.654 -4.815 1.00 0.00 H new ATOM 0 HE2 MET A 96 4.151 4.521 -6.316 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.599 2.800 -6.376 1.00 0.00 H new ATOM 1481 N VAL A 97 5.186 1.294 -10.200 1.00 0.00 N ATOM 1482 CA VAL A 97 4.865 -0.128 -10.198 1.00 0.00 C ATOM 1483 C VAL A 97 5.643 -0.868 -11.280 1.00 0.00 C ATOM 1484 O VAL A 97 6.241 -1.913 -11.024 1.00 0.00 O ATOM 1485 CB VAL A 97 3.358 -0.364 -10.412 1.00 0.00 C ATOM 1486 CG1 VAL A 97 3.042 -1.852 -10.392 1.00 0.00 C ATOM 1487 CG2 VAL A 97 2.548 0.376 -9.358 1.00 0.00 C ATOM 0 H VAL A 97 4.375 1.909 -10.271 1.00 0.00 H new ATOM 0 HA VAL A 97 5.150 -0.515 -9.220 1.00 0.00 H new ATOM 0 HB VAL A 97 3.082 0.028 -11.391 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.973 -1.999 -10.545 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.594 -2.352 -11.188 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.332 -2.273 -9.429 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.486 0.198 -9.524 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.825 0.016 -8.367 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.752 1.445 -9.426 1.00 0.00 H new ATOM 1497 N GLU A 98 5.630 -0.319 -12.491 1.00 0.00 N ATOM 1498 CA GLU A 98 6.334 -0.929 -13.613 1.00 0.00 C ATOM 1499 C GLU A 98 7.840 -0.953 -13.362 1.00 0.00 C ATOM 1500 O GLU A 98 8.543 -1.852 -13.824 1.00 0.00 O ATOM 1501 CB GLU A 98 6.034 -0.168 -14.906 1.00 0.00 C ATOM 1502 CG GLU A 98 4.658 0.475 -14.929 1.00 0.00 C ATOM 1503 CD GLU A 98 4.092 0.593 -16.330 1.00 0.00 C ATOM 1504 OE1 GLU A 98 4.206 -0.383 -17.101 1.00 0.00 O ATOM 1505 OE2 GLU A 98 3.534 1.661 -16.656 1.00 0.00 O ATOM 0 H GLU A 98 5.140 0.546 -12.720 1.00 0.00 H new ATOM 0 HA GLU A 98 5.983 -1.956 -13.714 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.789 0.605 -15.046 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.119 -0.853 -15.749 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.976 -0.113 -14.314 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.717 1.467 -14.480 1.00 0.00 H new ATOM 1512 N HIS A 99 8.327 0.042 -12.627 1.00 0.00 N ATOM 1513 CA HIS A 99 9.748 0.136 -12.314 1.00 0.00 C ATOM 1514 C HIS A 99 10.161 -0.954 -11.329 1.00 0.00 C ATOM 1515 O HIS A 99 11.169 -1.633 -11.526 1.00 0.00 O ATOM 1516 CB HIS A 99 10.075 1.513 -11.735 1.00 0.00 C ATOM 1517 CG HIS A 99 11.329 1.537 -10.917 1.00 0.00 C ATOM 1518 ND1 HIS A 99 11.589 1.049 -9.681 1.00 0.00 N flip ATOM 1519 CD2 HIS A 99 12.501 2.117 -11.353 1.00 0.00 C flip ATOM 1520 CE1 HIS A 99 12.901 1.339 -9.397 1.00 0.00 C flip ATOM 1521 NE2 HIS A 99 13.429 1.983 -10.422 1.00 0.00 N flip ATOM 0 H HIS A 99 7.759 0.794 -12.237 1.00 0.00 H new ATOM 0 HA HIS A 99 10.308 -0.003 -13.239 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.170 2.228 -12.552 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.241 1.845 -11.116 1.00 0.00 H new ATOM 0 HD1 HIS A 99 10.933 0.558 -9.074 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.639 2.605 -12.307 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.417 1.082 -8.484 1.00 0.00 H new ATOM 1530 N TYR A 100 9.377 -1.114 -10.269 1.00 0.00 N ATOM 1531 CA TYR A 100 9.662 -2.119 -9.252 1.00 0.00 C ATOM 1532 C TYR A 100 9.571 -3.526 -9.836 1.00 0.00 C ATOM 1533 O TYR A 100 10.318 -4.423 -9.444 1.00 0.00 O ATOM 1534 CB TYR A 100 8.691 -1.977 -8.079 1.00 0.00 C ATOM 1535 CG TYR A 100 8.958 -0.765 -7.215 1.00 0.00 C ATOM 1536 CD1 TYR A 100 10.253 -0.423 -6.845 1.00 0.00 C ATOM 1537 CD2 TYR A 100 7.915 0.037 -6.769 1.00 0.00 C ATOM 1538 CE1 TYR A 100 10.501 0.684 -6.056 1.00 0.00 C ATOM 1539 CE2 TYR A 100 8.154 1.146 -5.981 1.00 0.00 C ATOM 1540 CZ TYR A 100 9.449 1.465 -5.627 1.00 0.00 C ATOM 1541 OH TYR A 100 9.691 2.568 -4.841 1.00 0.00 O ATOM 0 H TYR A 100 8.539 -0.560 -10.092 1.00 0.00 H new ATOM 0 HA TYR A 100 10.679 -1.959 -8.894 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.673 -1.920 -8.465 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.748 -2.873 -7.461 1.00 0.00 H new ATOM 0 HD1 TYR A 100 11.079 -1.033 -7.180 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.900 -0.211 -7.043 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.513 0.936 -5.777 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.332 1.760 -5.644 1.00 0.00 H new ATOM 0 HH TYR A 100 9.365 3.372 -5.296 1.00 0.00 H new ATOM 1551 N HIS A 101 8.649 -3.711 -10.776 1.00 0.00 N ATOM 1552 CA HIS A 101 8.460 -5.008 -11.416 1.00 0.00 C ATOM 1553 C HIS A 101 9.798 -5.706 -11.636 1.00 0.00 C ATOM 1554 O HIS A 101 9.872 -6.935 -11.674 1.00 0.00 O ATOM 1555 CB HIS A 101 7.733 -4.841 -12.750 1.00 0.00 C ATOM 1556 CG HIS A 101 6.241 -4.896 -12.630 1.00 0.00 C ATOM 1557 ND1 HIS A 101 5.408 -5.135 -13.703 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.433 -4.745 -11.555 1.00 0.00 C ATOM 1559 CE1 HIS A 101 4.152 -5.126 -13.294 1.00 0.00 C ATOM 1560 NE2 HIS A 101 4.140 -4.891 -11.994 1.00 0.00 N ATOM 0 H HIS A 101 8.022 -2.980 -11.111 1.00 0.00 H new ATOM 0 HA HIS A 101 7.853 -5.626 -10.755 1.00 0.00 H new ATOM 0 HB2 HIS A 101 8.019 -3.887 -13.193 1.00 0.00 H new ATOM 0 HB3 HIS A 101 8.063 -5.622 -13.435 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.747 -4.547 -10.541 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.283 -5.284 -13.916 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.306 -4.828 -11.411 1.00 0.00 H new ATOM 1569 N THR A 102 10.856 -4.914 -11.782 1.00 0.00 N ATOM 1570 CA THR A 102 12.192 -5.455 -12.001 1.00 0.00 C ATOM 1571 C THR A 102 13.103 -5.168 -10.813 1.00 0.00 C ATOM 1572 O THR A 102 14.033 -5.925 -10.534 1.00 0.00 O ATOM 1573 CB THR A 102 12.831 -4.874 -13.276 1.00 0.00 C ATOM 1574 OG1 THR A 102 13.049 -3.468 -13.119 1.00 0.00 O ATOM 1575 CG2 THR A 102 11.945 -5.123 -14.488 1.00 0.00 C ATOM 0 H THR A 102 10.813 -3.895 -11.753 1.00 0.00 H new ATOM 0 HA THR A 102 12.081 -6.533 -12.118 1.00 0.00 H new ATOM 0 HB THR A 102 13.787 -5.373 -13.436 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.261 -3.059 -12.704 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.417 -4.704 -15.376 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.806 -6.196 -14.623 1.00 0.00 H new ATOM 0 HG23 THR A 102 10.976 -4.648 -14.334 1.00 0.00 H new ATOM 1583 N HIS A 103 12.830 -4.070 -10.116 1.00 0.00 N ATOM 1584 CA HIS A 103 13.625 -3.683 -8.956 1.00 0.00 C ATOM 1585 C HIS A 103 12.897 -4.025 -7.660 1.00 0.00 C ATOM 1586 O HIS A 103 12.109 -3.229 -7.149 1.00 0.00 O ATOM 1587 CB HIS A 103 13.937 -2.187 -9.000 1.00 0.00 C ATOM 1588 CG HIS A 103 15.165 -1.854 -9.789 1.00 0.00 C ATOM 1589 ND1 HIS A 103 16.047 -0.858 -9.425 1.00 0.00 N ATOM 1590 CD2 HIS A 103 15.659 -2.393 -10.929 1.00 0.00 C ATOM 1591 CE1 HIS A 103 17.028 -0.797 -10.307 1.00 0.00 C ATOM 1592 NE2 HIS A 103 16.817 -1.718 -11.230 1.00 0.00 N ATOM 0 H HIS A 103 12.064 -3.432 -10.334 1.00 0.00 H new ATOM 0 HA HIS A 103 14.560 -4.242 -8.985 1.00 0.00 H new ATOM 0 HB2 HIS A 103 13.085 -1.659 -9.429 1.00 0.00 H new ATOM 0 HB3 HIS A 103 14.059 -1.820 -7.981 1.00 0.00 H new ATOM 0 HD2 HIS A 103 15.224 -3.203 -11.496 1.00 0.00 H new ATOM 0 HE1 HIS A 103 17.861 -0.111 -10.278 1.00 0.00 H new ATOM 0 HE2 HIS A 103 17.416 -1.899 -12.035 1.00 0.00 H new ATOM 1601 N VAL A 104 13.166 -5.215 -7.132 1.00 0.00 N ATOM 1602 CA VAL A 104 12.536 -5.663 -5.895 1.00 0.00 C ATOM 1603 C VAL A 104 12.475 -4.535 -4.871 1.00 0.00 C ATOM 1604 O VAL A 104 13.396 -3.724 -4.767 1.00 0.00 O ATOM 1605 CB VAL A 104 13.291 -6.857 -5.282 1.00 0.00 C ATOM 1606 CG1 VAL A 104 14.794 -6.644 -5.373 1.00 0.00 C ATOM 1607 CG2 VAL A 104 12.862 -7.074 -3.838 1.00 0.00 C ATOM 0 H VAL A 104 13.816 -5.886 -7.541 1.00 0.00 H new ATOM 0 HA VAL A 104 11.523 -5.975 -6.150 1.00 0.00 H new ATOM 0 HB VAL A 104 13.041 -7.752 -5.851 1.00 0.00 H new ATOM 0 HG11 VAL A 104 15.310 -7.498 -4.935 1.00 0.00 H new ATOM 0 HG12 VAL A 104 15.084 -6.542 -6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 104 15.067 -5.738 -4.831 1.00 0.00 H new ATOM 0 HG21 VAL A 104 13.405 -7.922 -3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 104 13.081 -6.180 -3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.792 -7.276 -3.803 1.00 0.00 H new ATOM 1617 N LEU A 105 11.383 -4.489 -4.115 1.00 0.00 N ATOM 1618 CA LEU A 105 11.200 -3.460 -3.097 1.00 0.00 C ATOM 1619 C LEU A 105 12.195 -3.641 -1.955 1.00 0.00 C ATOM 1620 O LEU A 105 12.723 -4.729 -1.727 1.00 0.00 O ATOM 1621 CB LEU A 105 9.770 -3.500 -2.555 1.00 0.00 C ATOM 1622 CG LEU A 105 8.664 -3.698 -3.592 1.00 0.00 C ATOM 1623 CD1 LEU A 105 7.362 -4.095 -2.914 1.00 0.00 C ATOM 1624 CD2 LEU A 105 8.474 -2.433 -4.416 1.00 0.00 C ATOM 0 H LEU A 105 10.611 -5.152 -4.188 1.00 0.00 H new ATOM 0 HA LEU A 105 11.379 -2.489 -3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.703 -4.305 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.579 -2.568 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 105 8.961 -4.504 -4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.586 -4.232 -3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.506 -5.027 -2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.059 -3.311 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.683 -2.592 -5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.199 -1.608 -3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.404 -2.192 -4.932 1.00 0.00 H new ATOM 1636 N PRO A 106 12.455 -2.551 -1.219 1.00 0.00 N ATOM 1637 CA PRO A 106 13.386 -2.565 -0.086 1.00 0.00 C ATOM 1638 C PRO A 106 12.844 -3.356 1.099 1.00 0.00 C ATOM 1639 O PRO A 106 11.665 -3.707 1.137 1.00 0.00 O ATOM 1640 CB PRO A 106 13.524 -1.084 0.278 1.00 0.00 C ATOM 1641 CG PRO A 106 12.261 -0.457 -0.202 1.00 0.00 C ATOM 1642 CD PRO A 106 11.861 -1.221 -1.434 1.00 0.00 C ATOM 0 HA PRO A 106 14.331 -3.045 -0.340 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.649 -0.950 1.353 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.395 -0.638 -0.202 1.00 0.00 H new ATOM 0 HG2 PRO A 106 11.484 -0.512 0.560 1.00 0.00 H new ATOM 0 HG3 PRO A 106 12.411 0.598 -0.429 1.00 0.00 H new ATOM 0 HD2 PRO A 106 10.777 -1.277 -1.538 1.00 0.00 H new ATOM 0 HD3 PRO A 106 12.244 -0.752 -2.340 1.00 0.00 H new ATOM 1650 N SER A 107 13.713 -3.634 2.066 1.00 0.00 N ATOM 1651 CA SER A 107 13.322 -4.388 3.252 1.00 0.00 C ATOM 1652 C SER A 107 12.916 -5.811 2.882 1.00 0.00 C ATOM 1653 O SER A 107 12.148 -6.456 3.596 1.00 0.00 O ATOM 1654 CB SER A 107 12.167 -3.687 3.970 1.00 0.00 C ATOM 1655 OG SER A 107 12.600 -2.480 4.575 1.00 0.00 O ATOM 0 H SER A 107 14.692 -3.349 2.052 1.00 0.00 H new ATOM 0 HA SER A 107 14.181 -4.436 3.921 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.368 -3.475 3.260 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.751 -4.349 4.729 1.00 0.00 H new ATOM 0 HG SER A 107 11.843 -2.050 5.026 1.00 0.00 H new ATOM 1661 N HIS A 108 13.439 -6.296 1.760 1.00 0.00 N ATOM 1662 CA HIS A 108 13.132 -7.644 1.294 1.00 0.00 C ATOM 1663 C HIS A 108 14.234 -8.165 0.376 1.00 0.00 C ATOM 1664 O HIS A 108 15.204 -7.461 0.095 1.00 0.00 O ATOM 1665 CB HIS A 108 11.791 -7.659 0.559 1.00 0.00 C ATOM 1666 CG HIS A 108 11.028 -8.937 0.733 1.00 0.00 C ATOM 1667 ND1 HIS A 108 11.143 -10.005 -0.131 1.00 0.00 N ATOM 1668 CD2 HIS A 108 10.137 -9.314 1.679 1.00 0.00 C ATOM 1669 CE1 HIS A 108 10.355 -10.984 0.275 1.00 0.00 C ATOM 1670 NE2 HIS A 108 9.733 -10.590 1.372 1.00 0.00 N ATOM 0 H HIS A 108 14.077 -5.776 1.157 1.00 0.00 H new ATOM 0 HA HIS A 108 13.068 -8.297 2.164 1.00 0.00 H new ATOM 0 HB2 HIS A 108 11.181 -6.829 0.916 1.00 0.00 H new ATOM 0 HB3 HIS A 108 11.966 -7.492 -0.504 1.00 0.00 H new ATOM 0 HD2 HIS A 108 9.805 -8.722 2.519 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.239 -11.943 -0.208 1.00 0.00 H new ATOM 0 HE2 HIS A 108 9.062 -11.144 1.904 1.00 0.00 H new ATOM 1679 N GLN A 109 14.077 -9.401 -0.086 1.00 0.00 N ATOM 1680 CA GLN A 109 15.060 -10.016 -0.971 1.00 0.00 C ATOM 1681 C GLN A 109 14.531 -10.097 -2.399 1.00 0.00 C ATOM 1682 O GLN A 109 15.151 -9.584 -3.331 1.00 0.00 O ATOM 1683 CB GLN A 109 15.425 -11.414 -0.469 1.00 0.00 C ATOM 1684 CG GLN A 109 14.233 -12.351 -0.358 1.00 0.00 C ATOM 1685 CD GLN A 109 14.484 -13.505 0.592 1.00 0.00 C ATOM 1686 OE1 GLN A 109 15.495 -14.200 0.489 1.00 0.00 O ATOM 1687 NE2 GLN A 109 13.562 -13.717 1.524 1.00 0.00 N ATOM 0 H GLN A 109 13.279 -9.996 0.137 1.00 0.00 H new ATOM 0 HA GLN A 109 15.954 -9.392 -0.969 1.00 0.00 H new ATOM 0 HB2 GLN A 109 16.160 -11.853 -1.144 1.00 0.00 H new ATOM 0 HB3 GLN A 109 15.901 -11.327 0.508 1.00 0.00 H new ATOM 0 HG2 GLN A 109 13.364 -11.788 -0.018 1.00 0.00 H new ATOM 0 HG3 GLN A 109 13.992 -12.744 -1.346 1.00 0.00 H new ATOM 0 HE21 GLN A 109 12.739 -13.116 1.573 1.00 0.00 H new ATOM 0 HE22 GLN A 109 13.677 -14.480 2.191 1.00 0.00 H new ATOM 1696 N SER A 110 13.383 -10.745 -2.564 1.00 0.00 N ATOM 1697 CA SER A 110 12.773 -10.898 -3.880 1.00 0.00 C ATOM 1698 C SER A 110 11.277 -10.605 -3.822 1.00 0.00 C ATOM 1699 O SER A 110 10.456 -11.422 -4.241 1.00 0.00 O ATOM 1700 CB SER A 110 13.008 -12.312 -4.413 1.00 0.00 C ATOM 1701 OG SER A 110 14.325 -12.455 -4.916 1.00 0.00 O ATOM 0 H SER A 110 12.856 -11.173 -1.803 1.00 0.00 H new ATOM 0 HA SER A 110 13.240 -10.181 -4.556 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.839 -13.037 -3.617 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.288 -12.531 -5.202 1.00 0.00 H new ATOM 0 HG SER A 110 14.451 -13.368 -5.249 1.00 0.00 H new ATOM 1707 N LEU A 111 10.929 -9.434 -3.300 1.00 0.00 N ATOM 1708 CA LEU A 111 9.531 -9.032 -3.186 1.00 0.00 C ATOM 1709 C LEU A 111 9.161 -8.036 -4.281 1.00 0.00 C ATOM 1710 O LEU A 111 9.398 -6.834 -4.148 1.00 0.00 O ATOM 1711 CB LEU A 111 9.267 -8.417 -1.811 1.00 0.00 C ATOM 1712 CG LEU A 111 7.971 -7.618 -1.670 1.00 0.00 C ATOM 1713 CD1 LEU A 111 6.771 -8.479 -2.032 1.00 0.00 C ATOM 1714 CD2 LEU A 111 7.832 -7.072 -0.257 1.00 0.00 C ATOM 0 H LEU A 111 11.595 -8.746 -2.949 1.00 0.00 H new ATOM 0 HA LEU A 111 8.912 -9.921 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.258 -9.219 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 111 10.102 -7.763 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 111 8.009 -6.776 -2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.858 -7.893 -1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.866 -8.820 -3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 111 6.728 -9.342 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.904 -6.506 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.816 -7.899 0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.676 -6.419 -0.035 1.00 0.00 H new ATOM 1726 N LEU A 112 8.577 -8.542 -5.361 1.00 0.00 N ATOM 1727 CA LEU A 112 8.170 -7.697 -6.478 1.00 0.00 C ATOM 1728 C LEU A 112 6.651 -7.665 -6.613 1.00 0.00 C ATOM 1729 O LEU A 112 5.946 -8.472 -6.005 1.00 0.00 O ATOM 1730 CB LEU A 112 8.799 -8.200 -7.779 1.00 0.00 C ATOM 1731 CG LEU A 112 10.322 -8.333 -7.781 1.00 0.00 C ATOM 1732 CD1 LEU A 112 10.758 -9.472 -8.689 1.00 0.00 C ATOM 1733 CD2 LEU A 112 10.971 -7.026 -8.213 1.00 0.00 C ATOM 0 H LEU A 112 8.375 -9.534 -5.487 1.00 0.00 H new ATOM 0 HA LEU A 112 8.519 -6.684 -6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.369 -9.174 -8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.513 -7.522 -8.583 1.00 0.00 H new ATOM 0 HG LEU A 112 10.648 -8.560 -6.766 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.845 -9.551 -8.677 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.322 -10.406 -8.335 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.419 -9.276 -9.706 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.055 -7.139 -8.209 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.637 -6.769 -9.218 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.686 -6.233 -7.522 1.00 0.00 H new ATOM 1745 N LEU A 113 6.153 -6.730 -7.415 1.00 0.00 N ATOM 1746 CA LEU A 113 4.717 -6.595 -7.632 1.00 0.00 C ATOM 1747 C LEU A 113 4.262 -7.448 -8.811 1.00 0.00 C ATOM 1748 O LEU A 113 4.568 -7.146 -9.964 1.00 0.00 O ATOM 1749 CB LEU A 113 4.355 -5.129 -7.878 1.00 0.00 C ATOM 1750 CG LEU A 113 4.841 -4.131 -6.826 1.00 0.00 C ATOM 1751 CD1 LEU A 113 4.890 -2.726 -7.406 1.00 0.00 C ATOM 1752 CD2 LEU A 113 3.943 -4.173 -5.598 1.00 0.00 C ATOM 0 H LEU A 113 6.722 -6.055 -7.925 1.00 0.00 H new ATOM 0 HA LEU A 113 4.204 -6.944 -6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.761 -4.833 -8.845 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.270 -5.051 -7.950 1.00 0.00 H new ATOM 0 HG LEU A 113 5.850 -4.412 -6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.238 -2.029 -6.643 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.574 -2.706 -8.255 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.893 -2.434 -7.737 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.303 -3.457 -4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.923 -3.917 -5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.959 -5.175 -5.170 1.00 0.00 H new ATOM 1764 N ARG A 114 3.526 -8.515 -8.514 1.00 0.00 N ATOM 1765 CA ARG A 114 3.028 -9.412 -9.549 1.00 0.00 C ATOM 1766 C ARG A 114 1.577 -9.088 -9.896 1.00 0.00 C ATOM 1767 O ARG A 114 1.255 -8.787 -11.046 1.00 0.00 O ATOM 1768 CB ARG A 114 3.142 -10.867 -9.092 1.00 0.00 C ATOM 1769 CG ARG A 114 4.565 -11.401 -9.108 1.00 0.00 C ATOM 1770 CD ARG A 114 4.760 -12.497 -8.072 1.00 0.00 C ATOM 1771 NE ARG A 114 3.804 -13.588 -8.244 1.00 0.00 N ATOM 1772 CZ ARG A 114 3.990 -14.602 -9.082 1.00 0.00 C ATOM 1773 NH1 ARG A 114 5.089 -14.664 -9.820 1.00 0.00 N ATOM 1774 NH2 ARG A 114 3.074 -15.558 -9.182 1.00 0.00 N ATOM 0 H ARG A 114 3.262 -8.779 -7.565 1.00 0.00 H new ATOM 0 HA ARG A 114 3.638 -9.271 -10.441 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.742 -10.954 -8.082 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.522 -11.491 -9.736 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.798 -11.790 -10.099 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.263 -10.586 -8.913 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.774 -12.889 -8.145 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.653 -12.075 -7.073 1.00 0.00 H new ATOM 0 HE ARG A 114 2.947 -13.570 -7.691 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.795 -13.932 -9.746 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.229 -15.444 -10.462 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.227 -15.514 -8.615 1.00 0.00 H new ATOM 0 HH22 ARG A 114 3.217 -16.336 -9.826 1.00 0.00 H new ATOM 1788 N HIS A 115 0.706 -9.153 -8.895 1.00 0.00 N ATOM 1789 CA HIS A 115 -0.710 -8.867 -9.094 1.00 0.00 C ATOM 1790 C HIS A 115 -1.237 -7.942 -8.001 1.00 0.00 C ATOM 1791 O HIS A 115 -0.981 -8.136 -6.812 1.00 0.00 O ATOM 1792 CB HIS A 115 -1.517 -10.166 -9.110 1.00 0.00 C ATOM 1793 CG HIS A 115 -0.763 -11.332 -9.672 1.00 0.00 C ATOM 1794 ND1 HIS A 115 -0.792 -11.675 -11.007 1.00 0.00 N ATOM 1795 CD2 HIS A 115 0.045 -12.236 -9.071 1.00 0.00 C ATOM 1796 CE1 HIS A 115 -0.036 -12.740 -11.203 1.00 0.00 C ATOM 1797 NE2 HIS A 115 0.484 -13.100 -10.043 1.00 0.00 N ATOM 0 H HIS A 115 0.956 -9.401 -7.938 1.00 0.00 H new ATOM 0 HA HIS A 115 -0.822 -8.366 -10.055 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -1.830 -10.402 -8.093 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -2.424 -10.014 -9.695 1.00 0.00 H new ATOM 0 HD2 HIS A 115 0.298 -12.271 -8.022 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.129 -13.233 -12.150 1.00 0.00 H new ATOM 0 HE2 HIS A 115 1.110 -13.891 -9.894 1.00 0.00 H new ATOM 1806 N PRO A 116 -1.989 -6.910 -8.410 1.00 0.00 N ATOM 1807 CA PRO A 116 -2.567 -5.934 -7.482 1.00 0.00 C ATOM 1808 C PRO A 116 -3.679 -6.533 -6.628 1.00 0.00 C ATOM 1809 O PRO A 116 -4.113 -7.662 -6.860 1.00 0.00 O ATOM 1810 CB PRO A 116 -3.128 -4.852 -8.408 1.00 0.00 C ATOM 1811 CG PRO A 116 -3.393 -5.555 -9.694 1.00 0.00 C ATOM 1812 CD PRO A 116 -2.335 -6.617 -9.812 1.00 0.00 C ATOM 0 HA PRO A 116 -1.830 -5.564 -6.769 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -4.040 -4.416 -8.000 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -2.416 -4.037 -8.541 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.390 -5.995 -9.700 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -3.346 -4.862 -10.534 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.709 -7.502 -10.327 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -1.471 -6.263 -10.374 1.00 0.00 H new ATOM 1820 N TYR A 117 -4.137 -5.771 -5.641 1.00 0.00 N ATOM 1821 CA TYR A 117 -5.198 -6.228 -4.752 1.00 0.00 C ATOM 1822 C TYR A 117 -6.572 -5.905 -5.331 1.00 0.00 C ATOM 1823 O TYR A 117 -6.742 -4.915 -6.041 1.00 0.00 O ATOM 1824 CB TYR A 117 -5.050 -5.583 -3.373 1.00 0.00 C ATOM 1825 CG TYR A 117 -6.278 -5.724 -2.503 1.00 0.00 C ATOM 1826 CD1 TYR A 117 -6.778 -6.977 -2.170 1.00 0.00 C ATOM 1827 CD2 TYR A 117 -6.939 -4.604 -2.014 1.00 0.00 C ATOM 1828 CE1 TYR A 117 -7.901 -7.110 -1.376 1.00 0.00 C ATOM 1829 CE2 TYR A 117 -8.061 -4.728 -1.218 1.00 0.00 C ATOM 1830 CZ TYR A 117 -8.539 -5.983 -0.902 1.00 0.00 C ATOM 1831 OH TYR A 117 -9.656 -6.111 -0.110 1.00 0.00 O ATOM 0 H TYR A 117 -3.790 -4.834 -5.437 1.00 0.00 H new ATOM 0 HA TYR A 117 -5.111 -7.310 -4.652 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.199 -6.032 -2.861 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.824 -4.524 -3.499 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -6.280 -7.862 -2.538 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -6.569 -3.620 -2.260 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -8.277 -8.091 -1.128 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -8.562 -3.847 -0.845 1.00 0.00 H new ATOM 0 HH TYR A 117 -10.136 -6.931 -0.351 1.00 0.00 H new ATOM 1841 N GLY A 118 -7.551 -6.750 -5.022 1.00 0.00 N ATOM 1842 CA GLY A 118 -8.898 -6.538 -5.519 1.00 0.00 C ATOM 1843 C GLY A 118 -9.059 -6.974 -6.962 1.00 0.00 C ATOM 1844 O GLY A 118 -10.019 -7.665 -7.306 1.00 0.00 O ATOM 0 H GLY A 118 -7.435 -7.577 -4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -9.603 -7.088 -4.896 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -9.152 -5.482 -5.431 1.00 0.00 H new ATOM 1848 N TYR A 119 -8.119 -6.569 -7.809 1.00 0.00 N ATOM 1849 CA TYR A 119 -8.163 -6.919 -9.224 1.00 0.00 C ATOM 1850 C TYR A 119 -8.416 -8.412 -9.408 1.00 0.00 C ATOM 1851 O TYR A 119 -8.295 -9.196 -8.466 1.00 0.00 O ATOM 1852 CB TYR A 119 -6.855 -6.523 -9.910 1.00 0.00 C ATOM 1853 CG TYR A 119 -6.892 -6.667 -11.414 1.00 0.00 C ATOM 1854 CD1 TYR A 119 -7.532 -5.722 -12.207 1.00 0.00 C ATOM 1855 CD2 TYR A 119 -6.286 -7.748 -12.043 1.00 0.00 C ATOM 1856 CE1 TYR A 119 -7.569 -5.850 -13.582 1.00 0.00 C ATOM 1857 CE2 TYR A 119 -6.316 -7.883 -13.418 1.00 0.00 C ATOM 1858 CZ TYR A 119 -6.959 -6.932 -14.183 1.00 0.00 C ATOM 1859 OH TYR A 119 -6.993 -7.062 -15.552 1.00 0.00 O ATOM 0 H TYR A 119 -7.317 -5.998 -7.540 1.00 0.00 H new ATOM 0 HA TYR A 119 -8.986 -6.370 -9.683 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.621 -5.489 -9.658 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.047 -7.138 -9.514 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -8.009 -4.873 -11.740 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -5.783 -8.495 -11.447 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -8.073 -5.107 -14.183 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -5.839 -8.728 -13.891 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.517 -7.877 -15.815 1.00 0.00 H new