USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 694 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 53 GLN : amide:sc= 0.189 K(o=0.37,f=-1.2) USER MOD Set 1.2: A 61 TYR OH : rot -19:sc= 0.177 USER MOD Single : A 17 ASN : amide:sc= 0.00397 K(o=0.004,f=-4.4!) USER MOD Single : A 19 ASN : amide:sc= -0.0597 X(o=-0.06,f=0) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -3.54! C(o=-8!,f=-3.5!) USER MOD Single : A 32 THR OG1 : rot 90:sc= 0.323 USER MOD Single : A 34 HIS :FLIP no HD1:sc= -2.96 F(o=-6.1!,f=-3) USER MOD Single : A 35 ASN : amide:sc= -5.13! C(o=-5.1!,f=-6.7!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.816 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= -1.23 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -2.27! C(o=-2.9!,f=-2.3!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 110:sc= -0.819 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 155:sc= -0.221 (180deg=-1.06) USER MOD Single : A 82 LYS NZ :NH3+ 158:sc= -2.77! (180deg=-5.78!) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -147:sc= 0.00961 (180deg=-0.953) USER MOD Single : A 91 GLN : amide:sc= -1.82 K(o=-1.8,f=-2.5!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N GLU A 13 -12.136 -4.790 2.794 1.00 0.00 N ATOM 148 CA GLU A 13 -12.672 -3.840 3.749 1.00 0.00 C ATOM 149 C GLU A 13 -11.964 -2.501 3.604 1.00 0.00 C ATOM 150 O GLU A 13 -10.858 -2.321 4.111 1.00 0.00 O ATOM 151 CB GLU A 13 -12.503 -4.392 5.162 1.00 0.00 C ATOM 152 CG GLU A 13 -13.349 -3.574 6.133 1.00 0.00 C ATOM 153 CD GLU A 13 -14.166 -4.483 7.041 1.00 0.00 C ATOM 154 OE1 GLU A 13 -13.546 -5.380 7.651 1.00 0.00 O ATOM 155 OE2 GLU A 13 -15.395 -4.263 7.107 1.00 0.00 O ATOM 0 HA GLU A 13 -13.734 -3.686 3.556 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.805 -5.439 5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.454 -4.354 5.456 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.703 -2.936 6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.016 -2.916 5.576 1.00 0.00 H new ATOM 162 N PRO A 14 -12.604 -1.559 2.909 1.00 0.00 N ATOM 163 CA PRO A 14 -12.089 -0.228 2.669 1.00 0.00 C ATOM 164 C PRO A 14 -12.148 0.581 3.957 1.00 0.00 C ATOM 165 O PRO A 14 -13.132 0.513 4.691 1.00 0.00 O ATOM 166 CB PRO A 14 -13.013 0.364 1.607 1.00 0.00 C ATOM 167 CG PRO A 14 -14.343 -0.333 1.889 1.00 0.00 C ATOM 168 CD PRO A 14 -13.905 -1.737 2.300 1.00 0.00 C ATOM 0 HA PRO A 14 -11.050 -0.227 2.340 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -13.096 1.447 1.701 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -12.654 0.158 0.599 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.901 0.165 2.681 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -14.986 -0.351 1.009 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -14.612 -2.182 3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -13.850 -2.402 1.438 1.00 0.00 H new ATOM 176 N VAL A 15 -11.090 1.348 4.231 1.00 0.00 N ATOM 177 CA VAL A 15 -11.026 2.164 5.427 1.00 0.00 C ATOM 178 C VAL A 15 -10.342 3.487 5.111 1.00 0.00 C ATOM 179 O VAL A 15 -9.770 3.652 4.036 1.00 0.00 O ATOM 180 CB VAL A 15 -10.268 1.410 6.515 1.00 0.00 C ATOM 181 CG1 VAL A 15 -10.348 2.190 7.825 1.00 0.00 C ATOM 182 CG2 VAL A 15 -10.892 0.030 6.707 1.00 0.00 C ATOM 0 H VAL A 15 -10.267 1.415 3.632 1.00 0.00 H new ATOM 0 HA VAL A 15 -12.034 2.375 5.784 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.224 1.300 6.220 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.806 1.652 8.603 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.903 3.176 7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.392 2.300 8.120 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.351 -0.509 7.484 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.936 0.140 7.002 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.836 -0.528 5.772 1.00 0.00 H new ATOM 192 N GLY A 16 -10.403 4.431 6.052 1.00 0.00 N ATOM 193 CA GLY A 16 -9.790 5.731 5.867 1.00 0.00 C ATOM 194 C GLY A 16 -8.813 6.021 6.997 1.00 0.00 C ATOM 195 O GLY A 16 -8.161 5.112 7.508 1.00 0.00 O ATOM 0 H GLY A 16 -10.874 4.311 6.949 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.269 5.762 4.910 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.560 6.502 5.836 1.00 0.00 H new ATOM 199 N ASN A 17 -8.712 7.293 7.388 1.00 0.00 N ATOM 200 CA ASN A 17 -7.817 7.696 8.454 1.00 0.00 C ATOM 201 C ASN A 17 -8.100 6.877 9.706 1.00 0.00 C ATOM 202 O ASN A 17 -8.850 7.307 10.579 1.00 0.00 O ATOM 203 CB ASN A 17 -7.998 9.185 8.732 1.00 0.00 C ATOM 204 CG ASN A 17 -7.676 10.011 7.494 1.00 0.00 C ATOM 205 OD1 ASN A 17 -8.225 9.765 6.423 1.00 0.00 O ATOM 206 ND2 ASN A 17 -6.786 10.994 7.645 1.00 0.00 N ATOM 0 H ASN A 17 -9.245 8.058 6.975 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.785 7.517 8.153 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.023 9.378 9.047 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.350 9.487 9.555 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.534 11.581 6.850 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.357 11.158 8.556 1.00 0.00 H new ATOM 213 N GLU A 18 -7.496 5.689 9.790 1.00 0.00 N ATOM 214 CA GLU A 18 -7.683 4.818 10.932 1.00 0.00 C ATOM 215 C GLU A 18 -6.635 5.119 11.994 1.00 0.00 C ATOM 216 O GLU A 18 -6.794 4.745 13.154 1.00 0.00 O ATOM 217 CB GLU A 18 -7.594 3.363 10.482 1.00 0.00 C ATOM 218 CG GLU A 18 -7.453 2.458 11.703 1.00 0.00 C ATOM 219 CD GLU A 18 -8.068 1.092 11.440 1.00 0.00 C ATOM 220 OE1 GLU A 18 -7.537 0.392 10.550 1.00 0.00 O ATOM 221 OE2 GLU A 18 -9.058 0.771 12.133 1.00 0.00 O ATOM 0 H GLU A 18 -6.873 5.316 9.074 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.668 4.992 11.366 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.485 3.091 9.916 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.741 3.229 9.817 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.399 2.344 11.956 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.939 2.921 12.562 1.00 0.00 H new ATOM 228 N ASN A 19 -5.559 5.799 11.592 1.00 0.00 N ATOM 229 CA ASN A 19 -4.491 6.147 12.509 1.00 0.00 C ATOM 230 C ASN A 19 -3.633 4.924 12.795 1.00 0.00 C ATOM 231 O ASN A 19 -2.465 5.051 13.159 1.00 0.00 O ATOM 232 CB ASN A 19 -5.091 6.701 13.799 1.00 0.00 C ATOM 233 CG ASN A 19 -4.502 8.065 14.130 1.00 0.00 C ATOM 234 OD1 ASN A 19 -3.876 8.235 15.173 1.00 0.00 O ATOM 235 ND2 ASN A 19 -4.703 9.037 13.237 1.00 0.00 N ATOM 0 H ASN A 19 -5.412 6.117 10.634 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.857 6.911 12.060 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.173 6.783 13.696 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.901 6.009 14.620 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.329 9.971 13.407 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.230 8.846 12.385 1.00 0.00 H new ATOM 242 N ASP A 20 -4.215 3.734 12.629 1.00 0.00 N ATOM 243 CA ASP A 20 -3.504 2.495 12.871 1.00 0.00 C ATOM 244 C ASP A 20 -2.088 2.599 12.324 1.00 0.00 C ATOM 245 O ASP A 20 -1.855 2.323 11.147 1.00 0.00 O ATOM 246 CB ASP A 20 -4.256 1.342 12.211 1.00 0.00 C ATOM 247 CG ASP A 20 -5.294 0.758 13.158 1.00 0.00 C ATOM 248 OD1 ASP A 20 -5.852 1.550 13.948 1.00 0.00 O ATOM 249 OD2 ASP A 20 -5.511 -0.471 13.074 1.00 0.00 O ATOM 0 H ASP A 20 -5.181 3.611 12.326 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.445 2.307 13.943 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.744 1.694 11.302 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.551 0.565 11.914 1.00 0.00 H new ATOM 254 N LEU A 21 -1.145 2.997 13.178 1.00 0.00 N ATOM 255 CA LEU A 21 0.254 3.151 12.781 1.00 0.00 C ATOM 256 C LEU A 21 0.710 2.032 11.841 1.00 0.00 C ATOM 257 O LEU A 21 1.477 2.270 10.908 1.00 0.00 O ATOM 258 CB LEU A 21 1.142 3.178 14.028 1.00 0.00 C ATOM 259 CG LEU A 21 1.224 1.842 14.795 1.00 0.00 C ATOM 260 CD1 LEU A 21 2.656 1.320 14.847 1.00 0.00 C ATOM 261 CD2 LEU A 21 0.667 1.990 16.206 1.00 0.00 C ATOM 0 H LEU A 21 -1.327 3.220 14.156 1.00 0.00 H new ATOM 0 HA LEU A 21 0.345 4.092 12.239 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.149 3.473 13.733 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.770 3.947 14.705 1.00 0.00 H new ATOM 0 HG LEU A 21 0.616 1.117 14.254 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.680 0.378 15.394 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.022 1.160 13.833 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.291 2.049 15.351 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.736 1.035 16.726 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.243 2.741 16.748 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.377 2.301 16.155 1.00 0.00 H new ATOM 273 N HIS A 22 0.228 0.813 12.106 1.00 0.00 N ATOM 274 CA HIS A 22 0.564 -0.360 11.295 1.00 0.00 C ATOM 275 C HIS A 22 0.285 -0.082 9.807 1.00 0.00 C ATOM 276 O HIS A 22 1.211 -0.143 8.998 1.00 0.00 O ATOM 277 CB HIS A 22 -0.218 -1.585 11.784 1.00 0.00 C ATOM 278 CG HIS A 22 -0.252 -2.700 10.783 1.00 0.00 C ATOM 279 ND1 HIS A 22 -0.533 -2.696 9.458 1.00 0.00 N flip ATOM 280 CD2 HIS A 22 0.037 -4.010 11.107 1.00 0.00 C flip ATOM 281 CE1 HIS A 22 -0.409 -3.989 9.012 1.00 0.00 C flip ATOM 282 NE2 HIS A 22 -0.063 -4.762 10.024 1.00 0.00 N flip ATOM 0 H HIS A 22 -0.402 0.613 12.883 1.00 0.00 H new ATOM 0 HA HIS A 22 1.628 -0.571 11.404 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.230 -1.949 12.709 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.239 -1.286 12.020 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.303 -4.365 12.091 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.569 -4.320 7.996 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.100 -5.768 9.979 1.00 0.00 H new ATOM 291 N LEU A 23 -0.969 0.203 9.457 1.00 0.00 N ATOM 292 CA LEU A 23 -1.355 0.457 8.069 1.00 0.00 C ATOM 293 C LEU A 23 -0.474 1.525 7.417 1.00 0.00 C ATOM 294 O LEU A 23 0.141 1.292 6.378 1.00 0.00 O ATOM 295 CB LEU A 23 -2.823 0.887 8.015 1.00 0.00 C ATOM 296 CG LEU A 23 -3.713 0.300 9.131 1.00 0.00 C ATOM 297 CD1 LEU A 23 -5.193 0.529 8.837 1.00 0.00 C ATOM 298 CD2 LEU A 23 -3.438 -1.187 9.320 1.00 0.00 C ATOM 0 H LEU A 23 -1.740 0.264 10.121 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.218 -0.468 7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.870 1.975 8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.237 0.596 7.049 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.465 0.820 10.056 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.794 0.104 9.641 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.388 1.599 8.764 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.456 0.048 7.895 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.077 -1.577 10.112 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.647 -1.717 8.391 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.393 -1.332 9.593 1.00 0.00 H new ATOM 310 N VAL A 24 -0.425 2.705 8.040 1.00 0.00 N ATOM 311 CA VAL A 24 0.365 3.807 7.531 1.00 0.00 C ATOM 312 C VAL A 24 1.779 3.331 7.228 1.00 0.00 C ATOM 313 O VAL A 24 2.332 3.649 6.178 1.00 0.00 O ATOM 314 CB VAL A 24 0.383 4.936 8.557 1.00 0.00 C ATOM 315 CG1 VAL A 24 1.690 5.714 8.435 1.00 0.00 C ATOM 316 CG2 VAL A 24 -0.793 5.874 8.301 1.00 0.00 C ATOM 0 H VAL A 24 -0.929 2.913 8.902 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.077 4.180 6.607 1.00 0.00 H new ATOM 0 HB VAL A 24 0.302 4.517 9.560 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.703 6.521 9.168 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.530 5.044 8.617 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.771 6.134 7.432 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.781 6.681 9.034 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.712 6.293 7.298 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.727 5.319 8.388 1.00 0.00 H new ATOM 326 N ASP A 25 2.363 2.565 8.152 1.00 0.00 N ATOM 327 CA ASP A 25 3.707 2.049 7.980 1.00 0.00 C ATOM 328 C ASP A 25 3.854 1.449 6.589 1.00 0.00 C ATOM 329 O ASP A 25 4.860 1.680 5.918 1.00 0.00 O ATOM 330 CB ASP A 25 3.991 1.002 9.054 1.00 0.00 C ATOM 331 CG ASP A 25 5.441 0.546 8.998 1.00 0.00 C ATOM 332 OD1 ASP A 25 6.275 1.226 9.635 1.00 0.00 O ATOM 333 OD2 ASP A 25 5.690 -0.474 8.321 1.00 0.00 O ATOM 0 H ASP A 25 1.917 2.292 9.028 1.00 0.00 H new ATOM 0 HA ASP A 25 4.428 2.860 8.083 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.774 1.417 10.038 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.331 0.146 8.916 1.00 0.00 H new ATOM 338 N LEU A 26 2.852 0.682 6.160 1.00 0.00 N ATOM 339 CA LEU A 26 2.871 0.034 4.848 1.00 0.00 C ATOM 340 C LEU A 26 3.057 1.044 3.714 1.00 0.00 C ATOM 341 O LEU A 26 3.903 0.868 2.839 1.00 0.00 O ATOM 342 CB LEU A 26 1.571 -0.748 4.643 1.00 0.00 C ATOM 343 CG LEU A 26 1.208 -1.713 5.790 1.00 0.00 C ATOM 344 CD1 LEU A 26 0.791 -3.080 5.254 1.00 0.00 C ATOM 345 CD2 LEU A 26 2.369 -1.862 6.765 1.00 0.00 C ATOM 0 H LEU A 26 2.011 0.493 6.706 1.00 0.00 H new ATOM 0 HA LEU A 26 3.722 -0.647 4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.754 -0.039 4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.649 -1.319 3.718 1.00 0.00 H new ATOM 0 HG LEU A 26 0.360 -1.282 6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.542 -3.737 6.087 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.079 -2.967 4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.613 -3.513 4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.087 -2.548 7.564 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.238 -2.256 6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.614 -0.889 7.191 1.00 0.00 H new ATOM 357 N ALA A 27 2.249 2.106 3.738 1.00 0.00 N ATOM 358 CA ALA A 27 2.311 3.138 2.722 1.00 0.00 C ATOM 359 C ALA A 27 3.658 3.845 2.788 1.00 0.00 C ATOM 360 O ALA A 27 4.346 3.970 1.778 1.00 0.00 O ATOM 361 CB ALA A 27 1.170 4.128 2.932 1.00 0.00 C ATOM 0 H ALA A 27 1.544 2.267 4.457 1.00 0.00 H new ATOM 0 HA ALA A 27 2.206 2.689 1.735 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.216 4.904 2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.216 3.605 2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.260 4.584 3.918 1.00 0.00 H new ATOM 367 N ARG A 28 4.032 4.310 3.982 1.00 0.00 N ATOM 368 CA ARG A 28 5.290 5.002 4.174 1.00 0.00 C ATOM 369 C ARG A 28 6.446 4.081 3.812 1.00 0.00 C ATOM 370 O ARG A 28 7.515 4.545 3.421 1.00 0.00 O ATOM 371 CB ARG A 28 5.401 5.462 5.625 1.00 0.00 C ATOM 372 CG ARG A 28 4.808 6.862 5.761 1.00 0.00 C ATOM 373 CD ARG A 28 5.489 7.593 6.914 1.00 0.00 C ATOM 374 NE ARG A 28 4.702 7.489 8.142 1.00 0.00 N ATOM 375 CZ ARG A 28 5.043 8.111 9.278 1.00 0.00 C ATOM 376 NH1 ARG A 28 6.147 8.869 9.321 1.00 0.00 N ATOM 377 NH2 ARG A 28 4.280 7.975 10.372 1.00 0.00 N ATOM 0 H ARG A 28 3.472 4.215 4.829 1.00 0.00 H new ATOM 0 HA ARG A 28 5.330 5.877 3.525 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.875 4.767 6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.445 5.466 5.938 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.944 7.418 4.833 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.735 6.798 5.940 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.482 7.174 7.078 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.625 8.643 6.653 1.00 0.00 H new ATOM 0 HE ARG A 28 3.857 6.918 8.133 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.727 8.972 8.489 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.407 9.343 10.186 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.440 7.398 10.339 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.540 8.449 11.237 1.00 0.00 H new ATOM 391 N PHE A 29 6.230 2.770 3.942 1.00 0.00 N ATOM 392 CA PHE A 29 7.252 1.793 3.628 1.00 0.00 C ATOM 393 C PHE A 29 7.485 1.754 2.124 1.00 0.00 C ATOM 394 O PHE A 29 8.625 1.798 1.667 1.00 0.00 O ATOM 395 CB PHE A 29 6.823 0.423 4.145 1.00 0.00 C ATOM 396 CG PHE A 29 7.410 -0.728 3.364 1.00 0.00 C ATOM 397 CD1 PHE A 29 8.766 -0.720 3.018 1.00 0.00 C ATOM 398 CD2 PHE A 29 6.598 -1.806 2.989 1.00 0.00 C ATOM 399 CE1 PHE A 29 9.311 -1.788 2.296 1.00 0.00 C ATOM 400 CE2 PHE A 29 7.143 -2.874 2.267 1.00 0.00 C ATOM 401 CZ PHE A 29 8.500 -2.865 1.920 1.00 0.00 C ATOM 0 H PHE A 29 5.350 2.368 4.265 1.00 0.00 H new ATOM 0 HA PHE A 29 8.187 2.072 4.113 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.118 0.330 5.190 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.736 0.356 4.113 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.392 0.111 3.308 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.552 -1.813 3.257 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.357 -1.781 2.029 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.517 -3.705 1.977 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.920 -3.689 1.362 1.00 0.00 H new ATOM 411 N ALA A 30 6.397 1.670 1.353 1.00 0.00 N ATOM 412 CA ALA A 30 6.487 1.624 -0.093 1.00 0.00 C ATOM 413 C ALA A 30 7.365 2.764 -0.591 1.00 0.00 C ATOM 414 O ALA A 30 8.440 2.528 -1.139 1.00 0.00 O ATOM 415 CB ALA A 30 5.087 1.719 -0.691 1.00 0.00 C ATOM 0 H ALA A 30 5.445 1.633 1.716 1.00 0.00 H new ATOM 0 HA ALA A 30 6.938 0.682 -0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.153 1.685 -1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.483 0.884 -0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.624 2.657 -0.385 1.00 0.00 H new ATOM 421 N VAL A 31 6.903 4.002 -0.400 1.00 0.00 N ATOM 422 CA VAL A 31 7.646 5.170 -0.829 1.00 0.00 C ATOM 423 C VAL A 31 9.122 4.989 -0.505 1.00 0.00 C ATOM 424 O VAL A 31 9.983 5.321 -1.316 1.00 0.00 O ATOM 425 CB VAL A 31 7.087 6.409 -0.138 1.00 0.00 C ATOM 426 CG1 VAL A 31 7.574 7.661 -0.864 1.00 0.00 C ATOM 427 CG2 VAL A 31 5.563 6.365 -0.168 1.00 0.00 C ATOM 0 H VAL A 31 6.013 4.213 0.052 1.00 0.00 H new ATOM 0 HA VAL A 31 7.545 5.296 -1.907 1.00 0.00 H new ATOM 0 HB VAL A 31 7.429 6.432 0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.174 8.547 -0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.663 7.694 -0.842 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.232 7.638 -1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.164 7.251 0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.220 6.341 -1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.215 5.472 0.351 1.00 0.00 H new ATOM 437 N THR A 32 9.413 4.461 0.687 1.00 0.00 N ATOM 438 CA THR A 32 10.781 4.241 1.107 1.00 0.00 C ATOM 439 C THR A 32 11.441 3.208 0.205 1.00 0.00 C ATOM 440 O THR A 32 12.349 3.532 -0.558 1.00 0.00 O ATOM 441 CB THR A 32 10.798 3.777 2.561 1.00 0.00 C ATOM 442 OG1 THR A 32 10.530 4.873 3.407 1.00 0.00 O ATOM 443 CG2 THR A 32 12.169 3.199 2.896 1.00 0.00 C ATOM 0 H THR A 32 8.711 4.181 1.372 1.00 0.00 H new ATOM 0 HA THR A 32 11.342 5.172 1.029 1.00 0.00 H new ATOM 0 HB THR A 32 10.037 3.011 2.706 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.564 4.940 3.559 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.180 2.868 3.934 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.376 2.351 2.243 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.932 3.964 2.751 1.00 0.00 H new ATOM 451 N GLU A 33 10.982 1.958 0.294 1.00 0.00 N ATOM 452 CA GLU A 33 11.527 0.885 -0.513 1.00 0.00 C ATOM 453 C GLU A 33 11.743 1.368 -1.941 1.00 0.00 C ATOM 454 O GLU A 33 12.832 1.200 -2.490 1.00 0.00 O ATOM 455 CB GLU A 33 10.575 -0.307 -0.485 1.00 0.00 C ATOM 456 CG GLU A 33 11.160 -1.446 -1.313 1.00 0.00 C ATOM 457 CD GLU A 33 11.423 -2.669 -0.447 1.00 0.00 C ATOM 458 OE1 GLU A 33 12.174 -2.515 0.540 1.00 0.00 O ATOM 459 OE2 GLU A 33 10.868 -3.736 -0.788 1.00 0.00 O ATOM 0 H GLU A 33 10.231 1.672 0.922 1.00 0.00 H new ATOM 0 HA GLU A 33 12.490 0.575 -0.106 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.416 -0.635 0.542 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.602 -0.018 -0.882 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.472 -1.706 -2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.089 -1.121 -1.781 1.00 0.00 H new ATOM 466 N HIS A 34 10.705 1.967 -2.533 1.00 0.00 N ATOM 467 CA HIS A 34 10.771 2.493 -3.898 1.00 0.00 C ATOM 468 C HIS A 34 11.886 3.550 -4.012 1.00 0.00 C ATOM 469 O HIS A 34 12.710 3.465 -4.920 1.00 0.00 O ATOM 470 CB HIS A 34 9.414 3.077 -4.309 1.00 0.00 C ATOM 471 CG HIS A 34 9.320 3.369 -5.776 1.00 0.00 C ATOM 472 ND1 HIS A 34 10.213 3.925 -6.630 1.00 0.00 N flip ATOM 473 CD2 HIS A 34 8.204 3.073 -6.531 1.00 0.00 C flip ATOM 474 CE1 HIS A 34 9.623 3.953 -7.871 1.00 0.00 C flip ATOM 475 NE2 HIS A 34 8.414 3.433 -7.786 1.00 0.00 N flip ATOM 0 H HIS A 34 9.800 2.100 -2.081 1.00 0.00 H new ATOM 0 HA HIS A 34 11.009 1.676 -4.579 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.625 2.377 -4.033 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.236 3.995 -3.750 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.299 2.618 -6.155 1.00 0.00 H new ATOM 0 HE1 HIS A 34 10.077 4.339 -8.772 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.754 3.327 -8.556 1.00 0.00 H new ATOM 484 N ASN A 35 11.896 4.536 -3.112 1.00 0.00 N ATOM 485 CA ASN A 35 12.895 5.586 -3.144 1.00 0.00 C ATOM 486 C ASN A 35 14.285 4.986 -2.990 1.00 0.00 C ATOM 487 O ASN A 35 15.268 5.561 -3.451 1.00 0.00 O ATOM 488 CB ASN A 35 12.612 6.589 -2.029 1.00 0.00 C ATOM 489 CG ASN A 35 11.466 7.515 -2.408 1.00 0.00 C ATOM 490 OD1 ASN A 35 10.514 7.093 -3.060 1.00 0.00 O ATOM 491 ND2 ASN A 35 11.558 8.782 -1.995 1.00 0.00 N ATOM 0 H ASN A 35 11.219 4.622 -2.354 1.00 0.00 H new ATOM 0 HA ASN A 35 12.851 6.104 -4.102 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.366 6.057 -1.110 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.508 7.176 -1.827 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.817 9.446 -2.219 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.369 9.085 -1.456 1.00 0.00 H new ATOM 498 N LYS A 36 14.362 3.823 -2.339 1.00 0.00 N ATOM 499 CA LYS A 36 15.629 3.150 -2.128 1.00 0.00 C ATOM 500 C LYS A 36 16.205 2.700 -3.463 1.00 0.00 C ATOM 501 O LYS A 36 17.406 2.819 -3.697 1.00 0.00 O ATOM 502 CB LYS A 36 15.421 1.957 -1.199 1.00 0.00 C ATOM 503 CG LYS A 36 16.777 1.437 -0.730 1.00 0.00 C ATOM 504 CD LYS A 36 17.274 0.366 -1.697 1.00 0.00 C ATOM 505 CE LYS A 36 18.732 0.037 -1.388 1.00 0.00 C ATOM 506 NZ LYS A 36 19.487 -0.222 -2.623 1.00 0.00 N ATOM 0 H LYS A 36 13.556 3.333 -1.951 1.00 0.00 H new ATOM 0 HA LYS A 36 16.337 3.837 -1.664 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.816 2.251 -0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.877 1.168 -1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.494 2.256 -0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.692 1.023 0.275 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.661 -0.531 -1.609 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.179 0.717 -2.725 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.188 0.865 -0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 36 18.782 -0.836 -0.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 20.475 -0.443 -2.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 19.063 -1.027 -3.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 19.457 0.621 -3.231 1.00 0.00 H new ATOM 520 N LYS A 37 15.344 2.181 -4.341 1.00 0.00 N ATOM 521 CA LYS A 37 15.770 1.717 -5.646 1.00 0.00 C ATOM 522 C LYS A 37 15.698 2.859 -6.651 1.00 0.00 C ATOM 523 O LYS A 37 16.716 3.270 -7.202 1.00 0.00 O ATOM 524 CB LYS A 37 14.885 0.554 -6.085 1.00 0.00 C ATOM 525 CG LYS A 37 15.463 -0.075 -7.349 1.00 0.00 C ATOM 526 CD LYS A 37 14.863 0.606 -8.577 1.00 0.00 C ATOM 527 CE LYS A 37 15.356 -0.096 -9.839 1.00 0.00 C ATOM 528 NZ LYS A 37 14.231 -0.454 -10.717 1.00 0.00 N ATOM 0 H LYS A 37 14.345 2.075 -4.163 1.00 0.00 H new ATOM 0 HA LYS A 37 16.803 1.372 -5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.823 -0.190 -5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.870 0.905 -6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.548 0.029 -7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.245 -1.143 -7.369 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.775 0.571 -8.530 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.148 1.658 -8.598 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.047 0.554 -10.375 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.910 -0.995 -9.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.593 -0.930 -11.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.585 -1.093 -10.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.719 0.408 -10.994 1.00 0.00 H new ATOM 542 N ALA A 38 14.488 3.370 -6.888 1.00 0.00 N ATOM 543 CA ALA A 38 14.288 4.458 -7.824 1.00 0.00 C ATOM 544 C ALA A 38 15.006 5.704 -7.326 1.00 0.00 C ATOM 545 O ALA A 38 14.666 6.818 -7.718 1.00 0.00 O ATOM 546 CB ALA A 38 12.794 4.721 -7.983 1.00 0.00 C ATOM 0 H ALA A 38 13.634 3.040 -6.438 1.00 0.00 H new ATOM 0 HA ALA A 38 14.702 4.189 -8.796 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.641 5.539 -8.687 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.304 3.823 -8.359 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.367 4.989 -7.017 1.00 0.00 H new ATOM 552 N ASN A 39 16.002 5.514 -6.458 1.00 0.00 N ATOM 553 CA ASN A 39 16.761 6.622 -5.913 1.00 0.00 C ATOM 554 C ASN A 39 15.820 7.748 -5.512 1.00 0.00 C ATOM 555 O ASN A 39 16.181 8.921 -5.586 1.00 0.00 O ATOM 556 CB ASN A 39 17.770 7.105 -6.952 1.00 0.00 C ATOM 557 CG ASN A 39 19.160 6.564 -6.653 1.00 0.00 C ATOM 558 OD1 ASN A 39 19.649 5.683 -7.357 1.00 0.00 O ATOM 559 ND2 ASN A 39 19.797 7.093 -5.606 1.00 0.00 N ATOM 0 H ASN A 39 16.296 4.597 -6.122 1.00 0.00 H new ATOM 0 HA ASN A 39 17.300 6.295 -5.024 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.457 6.784 -7.945 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.794 8.195 -6.962 1.00 0.00 H new ATOM 0 HD21 ASN A 39 20.732 6.768 -5.360 1.00 0.00 H new ATOM 0 HD22 ASN A 39 19.349 7.823 -5.052 1.00 0.00 H new ATOM 566 N SER A 40 14.608 7.388 -5.084 1.00 0.00 N ATOM 567 CA SER A 40 13.622 8.367 -4.671 1.00 0.00 C ATOM 568 C SER A 40 13.150 9.166 -5.878 1.00 0.00 C ATOM 569 O SER A 40 13.885 9.308 -6.856 1.00 0.00 O ATOM 570 CB SER A 40 14.231 9.287 -3.618 1.00 0.00 C ATOM 571 OG SER A 40 15.071 8.539 -2.769 1.00 0.00 O ATOM 0 H SER A 40 14.293 6.420 -5.017 1.00 0.00 H new ATOM 0 HA SER A 40 12.760 7.860 -4.237 1.00 0.00 H new ATOM 0 HB2 SER A 40 14.799 10.083 -4.100 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.442 9.765 -3.037 1.00 0.00 H new ATOM 0 HG SER A 40 15.464 9.130 -2.093 1.00 0.00 H new ATOM 577 N LEU A 41 11.925 9.686 -5.808 1.00 0.00 N ATOM 578 CA LEU A 41 11.343 10.465 -6.899 1.00 0.00 C ATOM 579 C LEU A 41 10.183 11.342 -6.422 1.00 0.00 C ATOM 580 O LEU A 41 9.682 12.190 -7.162 1.00 0.00 O ATOM 581 CB LEU A 41 10.864 9.523 -8.006 1.00 0.00 C ATOM 582 CG LEU A 41 9.491 8.865 -7.749 1.00 0.00 C ATOM 583 CD1 LEU A 41 9.054 8.013 -8.937 1.00 0.00 C ATOM 584 CD2 LEU A 41 9.522 8.022 -6.480 1.00 0.00 C ATOM 0 H LEU A 41 11.312 9.580 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 41 12.118 11.128 -7.285 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.814 10.080 -8.941 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.607 8.738 -8.142 1.00 0.00 H new ATOM 0 HG LEU A 41 8.763 9.666 -7.618 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.084 7.563 -8.725 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.977 8.640 -9.826 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.788 7.226 -9.110 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.544 7.569 -6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.273 7.238 -6.582 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.772 8.655 -5.629 1.00 0.00 H new ATOM 596 N LEU A 42 9.758 11.121 -5.178 1.00 0.00 N ATOM 597 CA LEU A 42 8.646 11.867 -4.588 1.00 0.00 C ATOM 598 C LEU A 42 8.797 12.015 -3.072 1.00 0.00 C ATOM 599 O LEU A 42 9.770 11.551 -2.481 1.00 0.00 O ATOM 600 CB LEU A 42 7.325 11.166 -4.915 1.00 0.00 C ATOM 601 CG LEU A 42 7.344 9.633 -4.736 1.00 0.00 C ATOM 602 CD1 LEU A 42 6.909 9.233 -3.330 1.00 0.00 C ATOM 603 CD2 LEU A 42 6.458 8.953 -5.774 1.00 0.00 C ATOM 0 H LEU A 42 10.170 10.426 -4.555 1.00 0.00 H new ATOM 0 HA LEU A 42 8.651 12.869 -5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.542 11.582 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.054 11.394 -5.946 1.00 0.00 H new ATOM 0 HG LEU A 42 8.371 9.300 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.933 8.147 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.587 9.675 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.896 9.590 -3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.488 7.873 -5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.432 9.306 -5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.819 9.193 -6.774 1.00 0.00 H new ATOM 615 N GLU A 43 7.818 12.674 -2.448 1.00 0.00 N ATOM 616 CA GLU A 43 7.837 12.890 -1.015 1.00 0.00 C ATOM 617 C GLU A 43 6.436 12.712 -0.444 1.00 0.00 C ATOM 618 O GLU A 43 5.616 13.625 -0.504 1.00 0.00 O ATOM 619 CB GLU A 43 8.366 14.290 -0.720 1.00 0.00 C ATOM 620 CG GLU A 43 8.600 14.440 0.781 1.00 0.00 C ATOM 621 CD GLU A 43 10.042 14.831 1.071 1.00 0.00 C ATOM 622 OE1 GLU A 43 10.903 13.931 0.974 1.00 0.00 O ATOM 623 OE2 GLU A 43 10.255 16.022 1.383 1.00 0.00 O ATOM 0 H GLU A 43 7.004 13.065 -2.922 1.00 0.00 H new ATOM 0 HA GLU A 43 8.494 12.159 -0.544 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.296 14.461 -1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.654 15.040 -1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.926 15.196 1.184 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.365 13.502 1.285 1.00 0.00 H new ATOM 630 N PHE A 44 6.165 11.528 0.110 1.00 0.00 N ATOM 631 CA PHE A 44 4.869 11.236 0.689 1.00 0.00 C ATOM 632 C PHE A 44 4.400 12.417 1.528 1.00 0.00 C ATOM 633 O PHE A 44 5.174 12.979 2.300 1.00 0.00 O ATOM 634 CB PHE A 44 4.966 9.972 1.539 1.00 0.00 C ATOM 635 CG PHE A 44 3.788 9.776 2.463 1.00 0.00 C ATOM 636 CD1 PHE A 44 3.701 10.507 3.653 1.00 0.00 C ATOM 637 CD2 PHE A 44 2.780 8.864 2.128 1.00 0.00 C ATOM 638 CE1 PHE A 44 2.608 10.326 4.509 1.00 0.00 C ATOM 639 CE2 PHE A 44 1.686 8.682 2.983 1.00 0.00 C ATOM 640 CZ PHE A 44 1.601 9.414 4.173 1.00 0.00 C ATOM 0 H PHE A 44 6.833 10.760 0.166 1.00 0.00 H new ATOM 0 HA PHE A 44 4.141 11.069 -0.105 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.050 9.107 0.881 1.00 0.00 H new ATOM 0 HB3 PHE A 44 5.880 10.011 2.132 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.478 11.211 3.911 1.00 0.00 H new ATOM 0 HD2 PHE A 44 2.846 8.300 1.209 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.542 10.890 5.428 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.909 7.978 2.725 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.757 9.275 4.833 1.00 0.00 H new ATOM 650 N GLU A 45 3.127 12.791 1.375 1.00 0.00 N ATOM 651 CA GLU A 45 2.564 13.899 2.120 1.00 0.00 C ATOM 652 C GLU A 45 1.763 13.377 3.303 1.00 0.00 C ATOM 653 O GLU A 45 1.955 13.819 4.433 1.00 0.00 O ATOM 654 CB GLU A 45 1.683 14.735 1.196 1.00 0.00 C ATOM 655 CG GLU A 45 0.756 15.610 2.034 1.00 0.00 C ATOM 656 CD GLU A 45 0.719 17.034 1.493 1.00 0.00 C ATOM 657 OE1 GLU A 45 0.407 17.175 0.291 1.00 0.00 O ATOM 658 OE2 GLU A 45 1.002 17.951 2.292 1.00 0.00 O ATOM 0 H GLU A 45 2.473 12.336 0.738 1.00 0.00 H new ATOM 0 HA GLU A 45 3.367 14.528 2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.302 15.357 0.550 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.098 14.084 0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.249 15.189 2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.095 15.619 3.070 1.00 0.00 H new ATOM 665 N LYS A 46 0.860 12.429 3.040 1.00 0.00 N ATOM 666 CA LYS A 46 0.035 11.851 4.082 1.00 0.00 C ATOM 667 C LYS A 46 -0.814 10.726 3.507 1.00 0.00 C ATOM 668 O LYS A 46 -0.779 10.473 2.302 1.00 0.00 O ATOM 669 CB LYS A 46 -0.848 12.935 4.693 1.00 0.00 C ATOM 670 CG LYS A 46 -1.949 13.309 3.705 1.00 0.00 C ATOM 671 CD LYS A 46 -2.932 14.265 4.376 1.00 0.00 C ATOM 672 CE LYS A 46 -4.344 13.978 3.872 1.00 0.00 C ATOM 673 NZ LYS A 46 -5.329 14.838 4.546 1.00 0.00 N ATOM 0 H LYS A 46 0.688 12.050 2.109 1.00 0.00 H new ATOM 0 HA LYS A 46 0.671 11.436 4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.286 12.579 5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.249 13.813 4.937 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.516 13.777 2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.470 12.413 3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.890 14.147 5.459 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.659 15.297 4.157 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.390 14.141 2.795 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.590 12.931 4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.281 14.624 4.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.299 14.663 5.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.105 15.836 4.358 1.00 0.00 H new ATOM 687 N LEU A 47 -1.575 10.053 4.369 1.00 0.00 N ATOM 688 CA LEU A 47 -2.431 8.941 3.953 1.00 0.00 C ATOM 689 C LEU A 47 -3.907 9.342 3.904 1.00 0.00 C ATOM 690 O LEU A 47 -4.400 10.057 4.774 1.00 0.00 O ATOM 691 CB LEU A 47 -2.242 7.762 4.911 1.00 0.00 C ATOM 692 CG LEU A 47 -3.443 6.796 4.995 1.00 0.00 C ATOM 693 CD1 LEU A 47 -3.552 5.934 3.741 1.00 0.00 C ATOM 694 CD2 LEU A 47 -3.346 5.914 6.234 1.00 0.00 C ATOM 0 H LEU A 47 -1.616 10.260 5.367 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.137 8.652 2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.362 7.199 4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.037 8.152 5.908 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.345 7.403 5.069 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.408 5.265 3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.684 6.575 2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.642 5.345 3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.204 5.242 6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.428 5.328 6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.337 6.540 7.126 1.00 0.00 H new ATOM 706 N VAL A 48 -4.607 8.873 2.868 1.00 0.00 N ATOM 707 CA VAL A 48 -6.013 9.177 2.694 1.00 0.00 C ATOM 708 C VAL A 48 -6.859 8.030 3.228 1.00 0.00 C ATOM 709 O VAL A 48 -7.621 8.206 4.175 1.00 0.00 O ATOM 710 CB VAL A 48 -6.300 9.420 1.216 1.00 0.00 C ATOM 711 CG1 VAL A 48 -7.539 10.300 1.075 1.00 0.00 C ATOM 712 CG2 VAL A 48 -5.105 10.117 0.573 1.00 0.00 C ATOM 0 H VAL A 48 -4.213 8.279 2.138 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.267 10.078 3.252 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.474 8.466 0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.744 10.473 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.393 9.802 1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.366 11.254 1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.310 10.291 -0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.929 11.071 1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.220 9.488 0.672 1.00 0.00 H new ATOM 722 N SER A 49 -6.721 6.851 2.616 1.00 0.00 N ATOM 723 CA SER A 49 -7.470 5.683 3.033 1.00 0.00 C ATOM 724 C SER A 49 -6.624 4.431 2.846 1.00 0.00 C ATOM 725 O SER A 49 -5.538 4.494 2.272 1.00 0.00 O ATOM 726 CB SER A 49 -8.759 5.590 2.223 1.00 0.00 C ATOM 727 OG SER A 49 -9.773 6.332 2.865 1.00 0.00 O ATOM 0 H SER A 49 -6.093 6.689 1.829 1.00 0.00 H new ATOM 0 HA SER A 49 -7.725 5.769 4.089 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.596 5.973 1.215 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.064 4.548 2.123 1.00 0.00 H new ATOM 0 HG SER A 49 -10.601 6.274 2.344 1.00 0.00 H new ATOM 733 N VAL A 50 -7.126 3.293 3.331 1.00 0.00 N ATOM 734 CA VAL A 50 -6.417 2.035 3.214 1.00 0.00 C ATOM 735 C VAL A 50 -7.391 0.878 3.387 1.00 0.00 C ATOM 736 O VAL A 50 -8.095 0.801 4.391 1.00 0.00 O ATOM 737 CB VAL A 50 -5.312 1.975 4.266 1.00 0.00 C ATOM 738 CG1 VAL A 50 -5.904 2.262 5.642 1.00 0.00 C ATOM 739 CG2 VAL A 50 -4.683 0.584 4.263 1.00 0.00 C ATOM 0 H VAL A 50 -8.025 3.226 3.809 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.963 1.958 2.226 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.550 2.720 4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.116 2.219 6.393 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.354 3.255 5.645 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.666 1.517 5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.894 0.540 5.014 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.445 -0.160 4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.260 0.378 3.280 1.00 0.00 H new ATOM 749 N LYS A 51 -7.429 -0.024 2.404 1.00 0.00 N ATOM 750 CA LYS A 51 -8.314 -1.169 2.453 1.00 0.00 C ATOM 751 C LYS A 51 -7.513 -2.432 2.738 1.00 0.00 C ATOM 752 O LYS A 51 -6.287 -2.388 2.817 1.00 0.00 O ATOM 753 CB LYS A 51 -9.062 -1.292 1.127 1.00 0.00 C ATOM 754 CG LYS A 51 -9.241 0.094 0.516 1.00 0.00 C ATOM 755 CD LYS A 51 -10.112 -0.010 -0.733 1.00 0.00 C ATOM 756 CE LYS A 51 -9.576 0.934 -1.806 1.00 0.00 C ATOM 757 NZ LYS A 51 -10.657 1.752 -2.378 1.00 0.00 N ATOM 0 H LYS A 51 -6.851 0.025 1.565 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.040 -1.035 3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.508 -1.934 0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.034 -1.759 1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.703 0.765 1.240 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.270 0.519 0.261 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.115 -1.035 -1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.144 0.244 -0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.813 1.583 -1.376 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.095 0.357 -2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.266 2.385 -3.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.372 1.131 -2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.098 2.319 -1.626 1.00 0.00 H new ATOM 771 N GLN A 52 -8.210 -3.560 2.894 1.00 0.00 N ATOM 772 CA GLN A 52 -7.563 -4.826 3.170 1.00 0.00 C ATOM 773 C GLN A 52 -8.261 -5.941 2.404 1.00 0.00 C ATOM 774 O GLN A 52 -9.482 -6.064 2.456 1.00 0.00 O ATOM 775 CB GLN A 52 -7.599 -5.097 4.671 1.00 0.00 C ATOM 776 CG GLN A 52 -8.990 -4.777 5.213 1.00 0.00 C ATOM 777 CD GLN A 52 -9.179 -5.365 6.604 1.00 0.00 C ATOM 778 OE1 GLN A 52 -8.284 -6.277 6.995 1.00 0.00 O flip ATOM 779 NE2 GLN A 52 -10.115 -5.003 7.312 1.00 0.00 N flip ATOM 0 H GLN A 52 -9.227 -3.613 2.832 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.523 -4.786 2.845 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.351 -6.140 4.869 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.850 -4.489 5.179 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.131 -3.697 5.248 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.748 -5.176 4.539 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.773 -4.303 6.969 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.234 -5.402 8.243 1.00 0.00 H new ATOM 788 N GLN A 53 -7.480 -6.757 1.691 1.00 0.00 N ATOM 789 CA GLN A 53 -8.025 -7.855 0.919 1.00 0.00 C ATOM 790 C GLN A 53 -7.617 -9.181 1.547 1.00 0.00 C ATOM 791 O GLN A 53 -6.742 -9.218 2.409 1.00 0.00 O ATOM 792 CB GLN A 53 -7.524 -7.761 -0.519 1.00 0.00 C ATOM 793 CG GLN A 53 -8.405 -8.620 -1.422 1.00 0.00 C ATOM 794 CD GLN A 53 -7.769 -8.793 -2.795 1.00 0.00 C ATOM 795 OE1 GLN A 53 -6.553 -8.932 -2.904 1.00 0.00 O ATOM 796 NE2 GLN A 53 -8.596 -8.785 -3.843 1.00 0.00 N ATOM 0 H GLN A 53 -6.465 -6.670 1.638 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.113 -7.798 0.916 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.542 -6.724 -0.855 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.489 -8.097 -0.577 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.561 -9.596 -0.963 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.386 -8.157 -1.527 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.599 -8.666 -3.700 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.225 -8.898 -4.786 1.00 0.00 H new ATOM 805 N VAL A 54 -8.254 -10.270 1.111 1.00 0.00 N ATOM 806 CA VAL A 54 -7.956 -11.589 1.631 1.00 0.00 C ATOM 807 C VAL A 54 -7.730 -12.557 0.478 1.00 0.00 C ATOM 808 O VAL A 54 -8.622 -12.772 -0.340 1.00 0.00 O ATOM 809 CB VAL A 54 -9.108 -12.060 2.513 1.00 0.00 C ATOM 810 CG1 VAL A 54 -10.390 -12.123 1.686 1.00 0.00 C ATOM 811 CG2 VAL A 54 -8.791 -13.447 3.066 1.00 0.00 C ATOM 0 H VAL A 54 -8.981 -10.255 0.396 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.048 -11.551 2.233 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.242 -11.361 3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.213 -12.460 2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.617 -11.133 1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.256 -12.822 0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.614 -13.784 3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.656 -14.146 2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.876 -13.403 3.657 1.00 0.00 H new ATOM 821 N VAL A 55 -6.531 -13.141 0.413 1.00 0.00 N ATOM 822 CA VAL A 55 -6.193 -14.080 -0.637 1.00 0.00 C ATOM 823 C VAL A 55 -5.106 -15.028 -0.149 1.00 0.00 C ATOM 824 O VAL A 55 -5.309 -15.766 0.813 1.00 0.00 O ATOM 825 CB VAL A 55 -5.730 -13.315 -1.873 1.00 0.00 C ATOM 826 CG1 VAL A 55 -6.903 -12.537 -2.460 1.00 0.00 C ATOM 827 CG2 VAL A 55 -4.619 -12.344 -1.483 1.00 0.00 C ATOM 0 H VAL A 55 -5.781 -12.973 1.083 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.071 -14.670 -0.900 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.354 -14.019 -2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.572 -11.991 -3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.696 -13.230 -2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.280 -11.833 -1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.288 -11.797 -2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.995 -11.641 -0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.780 -12.900 -1.065 1.00 0.00 H new ATOM 837 N ALA A 56 -3.950 -15.007 -0.816 1.00 0.00 N ATOM 838 CA ALA A 56 -2.840 -15.862 -0.449 1.00 0.00 C ATOM 839 C ALA A 56 -2.105 -15.269 0.745 1.00 0.00 C ATOM 840 O ALA A 56 -0.954 -15.614 1.003 1.00 0.00 O ATOM 841 CB ALA A 56 -1.900 -16.014 -1.641 1.00 0.00 C ATOM 0 H ALA A 56 -3.767 -14.401 -1.616 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.212 -16.847 -0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.064 -16.657 -1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.441 -16.459 -2.476 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.522 -15.034 -1.934 1.00 0.00 H new ATOM 847 N GLY A 57 -2.774 -14.373 1.474 1.00 0.00 N ATOM 848 CA GLY A 57 -2.178 -13.739 2.633 1.00 0.00 C ATOM 849 C GLY A 57 -3.041 -12.574 3.098 1.00 0.00 C ATOM 850 O GLY A 57 -4.266 -12.668 3.114 1.00 0.00 O ATOM 0 H GLY A 57 -3.729 -14.076 1.275 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.070 -14.465 3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.177 -13.384 2.388 1.00 0.00 H new ATOM 854 N THR A 58 -2.395 -11.468 3.476 1.00 0.00 N ATOM 855 CA THR A 58 -3.104 -10.292 3.937 1.00 0.00 C ATOM 856 C THR A 58 -2.682 -9.078 3.121 1.00 0.00 C ATOM 857 O THR A 58 -1.589 -8.545 3.314 1.00 0.00 O ATOM 858 CB THR A 58 -2.814 -10.072 5.419 1.00 0.00 C ATOM 859 OG1 THR A 58 -3.103 -11.253 6.133 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.685 -8.935 5.945 1.00 0.00 C ATOM 0 H THR A 58 -1.380 -11.371 3.468 1.00 0.00 H new ATOM 0 HA THR A 58 -4.176 -10.437 3.806 1.00 0.00 H new ATOM 0 HB THR A 58 -1.763 -9.815 5.550 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.916 -11.114 7.085 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.478 -8.778 7.004 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.464 -8.022 5.392 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.736 -9.192 5.815 1.00 0.00 H new ATOM 868 N LEU A 59 -3.551 -8.645 2.208 1.00 0.00 N ATOM 869 CA LEU A 59 -3.271 -7.496 1.346 1.00 0.00 C ATOM 870 C LEU A 59 -3.950 -6.221 1.852 1.00 0.00 C ATOM 871 O LEU A 59 -4.977 -6.272 2.526 1.00 0.00 O ATOM 872 CB LEU A 59 -3.733 -7.800 -0.082 1.00 0.00 C ATOM 873 CG LEU A 59 -2.918 -7.099 -1.189 1.00 0.00 C ATOM 874 CD1 LEU A 59 -2.925 -5.585 -1.007 1.00 0.00 C ATOM 875 CD2 LEU A 59 -1.486 -7.619 -1.223 1.00 0.00 C ATOM 0 H LEU A 59 -4.461 -9.076 2.045 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.195 -7.323 1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.686 -8.877 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.779 -7.508 -0.180 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.394 -7.330 -2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.342 -5.120 -1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.951 -5.218 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.487 -5.333 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.932 -7.109 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.007 -7.429 -0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.493 -8.691 -1.419 1.00 0.00 H new ATOM 887 N TYR A 60 -3.357 -5.072 1.522 1.00 0.00 N ATOM 888 CA TYR A 60 -3.888 -3.790 1.941 1.00 0.00 C ATOM 889 C TYR A 60 -3.814 -2.799 0.788 1.00 0.00 C ATOM 890 O TYR A 60 -2.761 -2.628 0.178 1.00 0.00 O ATOM 891 CB TYR A 60 -3.098 -3.282 3.142 1.00 0.00 C ATOM 892 CG TYR A 60 -2.551 -4.386 4.016 1.00 0.00 C ATOM 893 CD1 TYR A 60 -1.394 -5.074 3.631 1.00 0.00 C ATOM 894 CD2 TYR A 60 -3.202 -4.721 5.209 1.00 0.00 C ATOM 895 CE1 TYR A 60 -0.888 -6.098 4.441 1.00 0.00 C ATOM 896 CE2 TYR A 60 -2.695 -5.746 6.018 1.00 0.00 C ATOM 897 CZ TYR A 60 -1.539 -6.434 5.634 1.00 0.00 C ATOM 898 OH TYR A 60 -1.045 -7.432 6.423 1.00 0.00 O ATOM 0 H TYR A 60 -2.506 -5.012 0.963 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.933 -3.902 2.231 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.271 -2.666 2.788 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.740 -2.638 3.743 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.892 -4.815 2.710 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.094 -4.190 5.505 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.005 -6.629 4.145 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.197 -6.005 6.939 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.676 -7.047 7.245 1.00 0.00 H new ATOM 908 N TYR A 61 -4.939 -2.143 0.490 1.00 0.00 N ATOM 909 CA TYR A 61 -4.995 -1.176 -0.587 1.00 0.00 C ATOM 910 C TYR A 61 -4.911 0.234 -0.019 1.00 0.00 C ATOM 911 O TYR A 61 -5.934 0.853 0.267 1.00 0.00 O ATOM 912 CB TYR A 61 -6.289 -1.367 -1.373 1.00 0.00 C ATOM 913 CG TYR A 61 -6.363 -2.688 -2.101 1.00 0.00 C ATOM 914 CD1 TYR A 61 -6.102 -3.881 -1.415 1.00 0.00 C ATOM 915 CD2 TYR A 61 -6.692 -2.720 -3.461 1.00 0.00 C ATOM 916 CE1 TYR A 61 -6.171 -5.105 -2.090 1.00 0.00 C ATOM 917 CE2 TYR A 61 -6.761 -3.944 -4.136 1.00 0.00 C ATOM 918 CZ TYR A 61 -6.500 -5.138 -3.451 1.00 0.00 C ATOM 919 OH TYR A 61 -6.566 -6.330 -4.108 1.00 0.00 O ATOM 0 H TYR A 61 -5.821 -2.271 0.987 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.151 -1.325 -1.260 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.135 -1.290 -0.689 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.389 -0.557 -2.096 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.848 -3.856 -0.366 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.893 -1.800 -3.990 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -5.970 -6.025 -1.561 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.016 -3.968 -5.185 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.077 -7.011 -3.600 1.00 0.00 H new ATOM 929 N PHE A 62 -3.687 0.741 0.143 1.00 0.00 N ATOM 930 CA PHE A 62 -3.478 2.073 0.675 1.00 0.00 C ATOM 931 C PHE A 62 -3.695 3.107 -0.422 1.00 0.00 C ATOM 932 O PHE A 62 -3.431 2.840 -1.592 1.00 0.00 O ATOM 933 CB PHE A 62 -2.066 2.176 1.244 1.00 0.00 C ATOM 934 CG PHE A 62 -1.857 1.348 2.489 1.00 0.00 C ATOM 935 CD1 PHE A 62 -2.147 1.890 3.748 1.00 0.00 C ATOM 936 CD2 PHE A 62 -1.371 0.039 2.387 1.00 0.00 C ATOM 937 CE1 PHE A 62 -1.951 1.124 4.902 1.00 0.00 C ATOM 938 CE2 PHE A 62 -1.176 -0.727 3.542 1.00 0.00 C ATOM 939 CZ PHE A 62 -1.465 -0.185 4.799 1.00 0.00 C ATOM 0 H PHE A 62 -2.829 0.241 -0.090 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.193 2.266 1.475 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.352 1.860 0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.849 3.220 1.471 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.522 2.900 3.828 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.147 -0.380 1.417 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.175 1.542 5.872 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.802 -1.737 3.463 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.313 -0.776 5.690 1.00 0.00 H new ATOM 949 N THR A 63 -4.176 4.291 -0.040 1.00 0.00 N ATOM 950 CA THR A 63 -4.424 5.356 -0.992 1.00 0.00 C ATOM 951 C THR A 63 -3.902 6.675 -0.441 1.00 0.00 C ATOM 952 O THR A 63 -4.680 7.541 -0.051 1.00 0.00 O ATOM 953 CB THR A 63 -5.920 5.444 -1.277 1.00 0.00 C ATOM 954 OG1 THR A 63 -6.382 4.201 -1.757 1.00 0.00 O ATOM 955 CG2 THR A 63 -6.175 6.520 -2.328 1.00 0.00 C ATOM 0 H THR A 63 -4.400 4.530 0.926 1.00 0.00 H new ATOM 0 HA THR A 63 -3.901 5.143 -1.924 1.00 0.00 H new ATOM 0 HB THR A 63 -6.450 5.699 -0.359 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.343 4.257 -1.939 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.244 6.583 -2.532 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.819 7.481 -1.958 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.645 6.265 -3.246 1.00 0.00 H new ATOM 963 N ILE A 64 -2.575 6.826 -0.413 1.00 0.00 N ATOM 964 CA ILE A 64 -1.951 8.035 0.085 1.00 0.00 C ATOM 965 C ILE A 64 -1.534 8.918 -1.084 1.00 0.00 C ATOM 966 O ILE A 64 -1.618 8.503 -2.238 1.00 0.00 O ATOM 967 CB ILE A 64 -0.745 7.668 0.945 1.00 0.00 C ATOM 968 CG1 ILE A 64 0.500 7.584 0.066 1.00 0.00 C ATOM 969 CG2 ILE A 64 -0.989 6.317 1.612 1.00 0.00 C ATOM 970 CD1 ILE A 64 0.278 6.550 -1.034 1.00 0.00 C ATOM 0 H ILE A 64 -1.917 6.116 -0.734 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.661 8.590 0.699 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.598 8.430 1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.714 8.558 -0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.366 7.309 0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.128 6.054 2.227 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.878 6.376 2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.135 5.555 0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.167 6.490 -1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.085 5.576 -0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.577 6.844 -1.643 1.00 0.00 H new ATOM 982 N GLU A 65 -1.083 10.137 -0.782 1.00 0.00 N ATOM 983 CA GLU A 65 -0.655 11.067 -1.807 1.00 0.00 C ATOM 984 C GLU A 65 0.741 11.583 -1.491 1.00 0.00 C ATOM 985 O GLU A 65 1.038 11.921 -0.347 1.00 0.00 O ATOM 986 CB GLU A 65 -1.652 12.220 -1.894 1.00 0.00 C ATOM 987 CG GLU A 65 -0.971 13.435 -2.517 1.00 0.00 C ATOM 988 CD GLU A 65 -1.989 14.517 -2.850 1.00 0.00 C ATOM 989 OE1 GLU A 65 -2.674 14.962 -1.904 1.00 0.00 O ATOM 990 OE2 GLU A 65 -2.062 14.879 -4.044 1.00 0.00 O ATOM 0 H GLU A 65 -1.008 10.496 0.170 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.620 10.559 -2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.514 11.926 -2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.025 12.468 -0.900 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.225 13.832 -1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.442 13.136 -3.422 1.00 0.00 H new ATOM 997 N VAL A 66 1.599 11.646 -2.512 1.00 0.00 N ATOM 998 CA VAL A 66 2.958 12.120 -2.341 1.00 0.00 C ATOM 999 C VAL A 66 3.222 13.277 -3.293 1.00 0.00 C ATOM 1000 O VAL A 66 2.760 13.265 -4.432 1.00 0.00 O ATOM 1001 CB VAL A 66 3.932 10.974 -2.597 1.00 0.00 C ATOM 1002 CG1 VAL A 66 3.309 9.662 -2.130 1.00 0.00 C ATOM 1003 CG2 VAL A 66 4.237 10.890 -4.090 1.00 0.00 C ATOM 0 H VAL A 66 1.367 11.371 -3.467 1.00 0.00 H new ATOM 0 HA VAL A 66 3.099 12.476 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 66 4.856 11.153 -2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.005 8.843 -2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.091 9.722 -1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.385 9.482 -2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.933 10.071 -4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.313 10.712 -4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.683 11.827 -4.424 1.00 0.00 H new ATOM 1013 N LYS A 67 3.971 14.279 -2.825 1.00 0.00 N ATOM 1014 CA LYS A 67 4.292 15.435 -3.638 1.00 0.00 C ATOM 1015 C LYS A 67 5.550 15.164 -4.452 1.00 0.00 C ATOM 1016 O LYS A 67 6.647 15.094 -3.901 1.00 0.00 O ATOM 1017 CB LYS A 67 4.485 16.652 -2.736 1.00 0.00 C ATOM 1018 CG LYS A 67 5.675 16.415 -1.811 1.00 0.00 C ATOM 1019 CD LYS A 67 5.302 16.821 -0.387 1.00 0.00 C ATOM 1020 CE LYS A 67 6.046 18.099 -0.012 1.00 0.00 C ATOM 1021 NZ LYS A 67 5.106 19.205 0.228 1.00 0.00 N ATOM 0 H LYS A 67 4.363 14.305 -1.884 1.00 0.00 H new ATOM 0 HA LYS A 67 3.473 15.635 -4.329 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.652 17.543 -3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.584 16.830 -2.149 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.966 15.365 -1.837 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.535 16.992 -2.152 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.226 16.978 -0.312 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.556 16.022 0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.646 17.926 0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.736 18.370 -0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.637 20.063 0.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.552 19.383 -0.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.464 18.952 1.006 1.00 0.00 H new ATOM 1035 N GLU A 68 5.388 15.010 -5.767 1.00 0.00 N ATOM 1036 CA GLU A 68 6.509 14.747 -6.648 1.00 0.00 C ATOM 1037 C GLU A 68 7.065 16.058 -7.184 1.00 0.00 C ATOM 1038 O GLU A 68 6.343 16.838 -7.802 1.00 0.00 O ATOM 1039 CB GLU A 68 6.054 13.844 -7.791 1.00 0.00 C ATOM 1040 CG GLU A 68 7.002 14.010 -8.976 1.00 0.00 C ATOM 1041 CD GLU A 68 6.644 13.042 -10.096 1.00 0.00 C ATOM 1042 OE1 GLU A 68 5.513 13.167 -10.614 1.00 0.00 O ATOM 1043 OE2 GLU A 68 7.509 12.197 -10.414 1.00 0.00 O ATOM 0 H GLU A 68 4.486 15.064 -6.239 1.00 0.00 H new ATOM 0 HA GLU A 68 7.300 14.241 -6.095 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.041 12.804 -7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.036 14.098 -8.087 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.953 15.034 -9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.028 13.836 -8.653 1.00 0.00 H new ATOM 1050 N GLY A 69 8.357 16.300 -6.947 1.00 0.00 N ATOM 1051 CA GLY A 69 9.001 17.513 -7.408 1.00 0.00 C ATOM 1052 C GLY A 69 8.171 18.730 -7.023 1.00 0.00 C ATOM 1053 O GLY A 69 8.016 19.033 -5.842 1.00 0.00 O ATOM 0 H GLY A 69 8.971 15.665 -6.437 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.998 17.592 -6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.127 17.478 -8.490 1.00 0.00 H new ATOM 1057 N ASP A 70 7.635 19.429 -8.027 1.00 0.00 N ATOM 1058 CA ASP A 70 6.826 20.607 -7.793 1.00 0.00 C ATOM 1059 C ASP A 70 5.357 20.274 -8.007 1.00 0.00 C ATOM 1060 O ASP A 70 4.608 21.081 -8.554 1.00 0.00 O ATOM 1061 CB ASP A 70 7.270 21.723 -8.733 1.00 0.00 C ATOM 1062 CG ASP A 70 8.505 22.431 -8.192 1.00 0.00 C ATOM 1063 OD1 ASP A 70 8.418 22.928 -7.047 1.00 0.00 O ATOM 1064 OD2 ASP A 70 9.512 22.462 -8.931 1.00 0.00 O ATOM 0 H ASP A 70 7.753 19.190 -9.012 1.00 0.00 H new ATOM 0 HA ASP A 70 6.956 20.944 -6.764 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.485 21.310 -9.718 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.460 22.441 -8.859 1.00 0.00 H new ATOM 1069 N ALA A 71 4.944 19.080 -7.576 1.00 0.00 N ATOM 1070 CA ALA A 71 3.569 18.646 -7.724 1.00 0.00 C ATOM 1071 C ALA A 71 3.244 17.594 -6.674 1.00 0.00 C ATOM 1072 O ALA A 71 4.022 17.377 -5.747 1.00 0.00 O ATOM 1073 CB ALA A 71 3.360 18.090 -9.129 1.00 0.00 C ATOM 0 H ALA A 71 5.552 18.399 -7.121 1.00 0.00 H new ATOM 0 HA ALA A 71 2.899 19.494 -7.580 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.326 17.763 -9.241 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.577 18.866 -9.863 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.027 17.243 -9.288 1.00 0.00 H new ATOM 1079 N LYS A 72 2.089 16.941 -6.819 1.00 0.00 N ATOM 1080 CA LYS A 72 1.668 15.917 -5.883 1.00 0.00 C ATOM 1081 C LYS A 72 0.531 15.103 -6.484 1.00 0.00 C ATOM 1082 O LYS A 72 -0.361 15.653 -7.124 1.00 0.00 O ATOM 1083 CB LYS A 72 1.233 16.572 -4.576 1.00 0.00 C ATOM 1084 CG LYS A 72 0.054 17.503 -4.842 1.00 0.00 C ATOM 1085 CD LYS A 72 0.389 18.906 -4.346 1.00 0.00 C ATOM 1086 CE LYS A 72 -0.497 19.925 -5.058 1.00 0.00 C ATOM 1087 NZ LYS A 72 -1.666 20.274 -4.235 1.00 0.00 N ATOM 0 H LYS A 72 1.432 17.110 -7.581 1.00 0.00 H new ATOM 0 HA LYS A 72 2.500 15.243 -5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.951 15.809 -3.850 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.062 17.132 -4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.170 17.527 -5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.838 17.131 -4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.238 18.968 -3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.439 19.128 -4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.080 20.824 -5.277 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.829 19.519 -6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.252 20.968 -4.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.227 19.418 -4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.346 20.683 -3.334 1.00 0.00 H new ATOM 1101 N LYS A 73 0.565 13.784 -6.273 1.00 0.00 N ATOM 1102 CA LYS A 73 -0.460 12.902 -6.794 1.00 0.00 C ATOM 1103 C LYS A 73 -0.693 11.751 -5.825 1.00 0.00 C ATOM 1104 O LYS A 73 0.087 11.555 -4.893 1.00 0.00 O ATOM 1105 CB LYS A 73 -0.033 12.378 -8.162 1.00 0.00 C ATOM 1106 CG LYS A 73 0.479 13.537 -9.013 1.00 0.00 C ATOM 1107 CD LYS A 73 1.130 12.990 -10.280 1.00 0.00 C ATOM 1108 CE LYS A 73 0.247 13.307 -11.483 1.00 0.00 C ATOM 1109 NZ LYS A 73 -0.111 12.080 -12.213 1.00 0.00 N ATOM 0 H LYS A 73 1.297 13.311 -5.743 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.395 13.452 -6.905 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.746 11.625 -8.048 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.875 11.893 -8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.344 14.203 -9.273 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.200 14.127 -8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.118 13.431 -10.414 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.271 11.913 -10.193 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.659 13.814 -11.150 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.769 13.993 -12.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.712 12.323 -13.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.754 11.611 -12.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.629 11.438 -11.580 1.00 0.00 H new ATOM 1123 N LEU A 74 -1.766 10.993 -6.048 1.00 0.00 N ATOM 1124 CA LEU A 74 -2.116 9.863 -5.187 1.00 0.00 C ATOM 1125 C LEU A 74 -1.523 8.547 -5.702 1.00 0.00 C ATOM 1126 O LEU A 74 -1.456 8.309 -6.906 1.00 0.00 O ATOM 1127 CB LEU A 74 -3.639 9.744 -5.088 1.00 0.00 C ATOM 1128 CG LEU A 74 -4.142 8.662 -4.111 1.00 0.00 C ATOM 1129 CD1 LEU A 74 -4.984 9.271 -2.993 1.00 0.00 C ATOM 1130 CD2 LEU A 74 -4.942 7.593 -4.847 1.00 0.00 C ATOM 0 H LEU A 74 -2.412 11.142 -6.823 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.693 10.051 -4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.045 10.708 -4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.038 9.531 -6.080 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.265 8.195 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.323 8.482 -2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.383 9.989 -2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.848 9.778 -3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.285 6.842 -4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.802 8.053 -5.333 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.311 7.119 -5.599 1.00 0.00 H new ATOM 1142 N TYR A 75 -1.091 7.697 -4.769 1.00 0.00 N ATOM 1143 CA TYR A 75 -0.502 6.419 -5.116 1.00 0.00 C ATOM 1144 C TYR A 75 -1.154 5.312 -4.300 1.00 0.00 C ATOM 1145 O TYR A 75 -1.306 5.437 -3.087 1.00 0.00 O ATOM 1146 CB TYR A 75 1.002 6.467 -4.859 1.00 0.00 C ATOM 1147 CG TYR A 75 1.733 7.454 -5.737 1.00 0.00 C ATOM 1148 CD1 TYR A 75 1.399 8.813 -5.690 1.00 0.00 C ATOM 1149 CD2 TYR A 75 2.743 7.011 -6.599 1.00 0.00 C ATOM 1150 CE1 TYR A 75 2.077 9.728 -6.503 1.00 0.00 C ATOM 1151 CE2 TYR A 75 3.420 7.926 -7.412 1.00 0.00 C ATOM 1152 CZ TYR A 75 3.088 9.285 -7.365 1.00 0.00 C ATOM 1153 OH TYR A 75 3.748 10.178 -8.158 1.00 0.00 O ATOM 0 H TYR A 75 -1.142 7.879 -3.767 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.670 6.211 -6.173 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.176 6.724 -3.814 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.421 5.473 -5.016 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.618 9.155 -5.027 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.000 5.963 -6.636 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.821 10.776 -6.466 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.199 7.584 -8.077 1.00 0.00 H new ATOM 0 HH TYR A 75 4.419 9.706 -8.694 1.00 0.00 H new ATOM 1163 N GLU A 76 -1.540 4.224 -4.970 1.00 0.00 N ATOM 1164 CA GLU A 76 -2.172 3.102 -4.304 1.00 0.00 C ATOM 1165 C GLU A 76 -1.109 2.157 -3.759 1.00 0.00 C ATOM 1166 O GLU A 76 -0.608 1.298 -4.481 1.00 0.00 O ATOM 1167 CB GLU A 76 -3.086 2.378 -5.287 1.00 0.00 C ATOM 1168 CG GLU A 76 -3.626 3.374 -6.309 1.00 0.00 C ATOM 1169 CD GLU A 76 -4.326 2.654 -7.453 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -5.507 2.293 -7.258 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -3.666 2.478 -8.500 1.00 0.00 O ATOM 0 H GLU A 76 -1.422 4.104 -5.976 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.771 3.462 -3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.537 1.584 -5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.911 1.906 -4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.323 4.057 -5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.808 3.978 -6.701 1.00 0.00 H new ATOM 1178 N ALA A 77 -0.768 2.318 -2.478 1.00 0.00 N ATOM 1179 CA ALA A 77 0.230 1.482 -1.842 1.00 0.00 C ATOM 1180 C ALA A 77 -0.370 0.123 -1.512 1.00 0.00 C ATOM 1181 O ALA A 77 -1.295 0.028 -0.708 1.00 0.00 O ATOM 1182 CB ALA A 77 0.738 2.170 -0.578 1.00 0.00 C ATOM 0 H ALA A 77 -1.175 3.025 -1.866 1.00 0.00 H new ATOM 0 HA ALA A 77 1.070 1.331 -2.520 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.489 1.542 -0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.182 3.131 -0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.093 2.330 0.109 1.00 0.00 H new ATOM 1188 N LYS A 78 0.159 -0.932 -2.138 1.00 0.00 N ATOM 1189 CA LYS A 78 -0.327 -2.277 -1.907 1.00 0.00 C ATOM 1190 C LYS A 78 0.745 -3.103 -1.209 1.00 0.00 C ATOM 1191 O LYS A 78 1.831 -3.301 -1.750 1.00 0.00 O ATOM 1192 CB LYS A 78 -0.715 -2.912 -3.240 1.00 0.00 C ATOM 1193 CG LYS A 78 -1.688 -1.994 -3.976 1.00 0.00 C ATOM 1194 CD LYS A 78 -2.855 -1.648 -3.055 1.00 0.00 C ATOM 1195 CE LYS A 78 -3.868 -0.797 -3.817 1.00 0.00 C ATOM 1196 NZ LYS A 78 -4.121 -1.350 -5.155 1.00 0.00 N ATOM 0 H LYS A 78 0.925 -0.871 -2.808 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.206 -2.243 -1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.174 -3.080 -3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.174 -3.886 -3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.178 -1.084 -4.292 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.055 -2.483 -4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.329 -2.560 -2.693 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.494 -1.107 -2.180 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.802 -0.749 -3.257 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.497 0.224 -3.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.062 -1.051 -5.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.398 -1.002 -5.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.082 -2.388 -5.115 1.00 0.00 H new ATOM 1210 N VAL A 79 0.436 -3.585 -0.003 1.00 0.00 N ATOM 1211 CA VAL A 79 1.370 -4.384 0.763 1.00 0.00 C ATOM 1212 C VAL A 79 0.794 -5.775 0.987 1.00 0.00 C ATOM 1213 O VAL A 79 -0.417 -5.969 0.904 1.00 0.00 O ATOM 1214 CB VAL A 79 1.655 -3.695 2.095 1.00 0.00 C ATOM 1215 CG1 VAL A 79 2.283 -4.695 3.061 1.00 0.00 C ATOM 1216 CG2 VAL A 79 2.617 -2.533 1.870 1.00 0.00 C ATOM 0 H VAL A 79 -0.461 -3.430 0.458 1.00 0.00 H new ATOM 0 HA VAL A 79 2.306 -4.484 0.214 1.00 0.00 H new ATOM 0 HB VAL A 79 0.723 -3.319 2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.487 -4.203 4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.596 -5.526 3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.215 -5.071 2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.821 -2.040 2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.549 -2.909 1.449 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.169 -1.818 1.180 1.00 0.00 H new ATOM 1226 N TRP A 80 1.666 -6.745 1.273 1.00 0.00 N ATOM 1227 CA TRP A 80 1.236 -8.109 1.508 1.00 0.00 C ATOM 1228 C TRP A 80 2.006 -8.699 2.681 1.00 0.00 C ATOM 1229 O TRP A 80 3.084 -9.260 2.503 1.00 0.00 O ATOM 1230 CB TRP A 80 1.458 -8.935 0.245 1.00 0.00 C ATOM 1231 CG TRP A 80 0.495 -10.063 0.054 1.00 0.00 C ATOM 1232 CD1 TRP A 80 -0.671 -10.216 0.719 1.00 0.00 C ATOM 1233 CD2 TRP A 80 0.588 -11.204 -0.852 1.00 0.00 C ATOM 1234 NE1 TRP A 80 -1.301 -11.365 0.290 1.00 0.00 N ATOM 1235 CE2 TRP A 80 -0.566 -12.015 -0.681 1.00 0.00 C ATOM 1236 CE3 TRP A 80 1.531 -11.638 -1.802 1.00 0.00 C ATOM 1237 CZ2 TRP A 80 -0.776 -13.190 -1.408 1.00 0.00 C ATOM 1238 CZ3 TRP A 80 1.330 -12.815 -2.538 1.00 0.00 C ATOM 1239 CH2 TRP A 80 0.182 -13.591 -2.344 1.00 0.00 C ATOM 0 H TRP A 80 2.673 -6.602 1.346 1.00 0.00 H new ATOM 0 HA TRP A 80 0.174 -8.122 1.754 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.397 -8.274 -0.620 1.00 0.00 H new ATOM 0 HB3 TRP A 80 2.470 -9.340 0.266 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -1.052 -9.541 1.472 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -2.199 -11.694 0.646 1.00 0.00 H new ATOM 0 HE3 TRP A 80 2.425 -11.055 -1.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -1.666 -13.780 -1.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.069 -13.125 -3.262 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.037 -14.496 -2.915 1.00 0.00 H new ATOM 1250 N GLU A 81 1.446 -8.571 3.887 1.00 0.00 N ATOM 1251 CA GLU A 81 2.080 -9.093 5.081 1.00 0.00 C ATOM 1252 C GLU A 81 1.385 -10.374 5.521 1.00 0.00 C ATOM 1253 O GLU A 81 0.192 -10.550 5.285 1.00 0.00 O ATOM 1254 CB GLU A 81 2.025 -8.041 6.184 1.00 0.00 C ATOM 1255 CG GLU A 81 2.147 -6.650 5.569 1.00 0.00 C ATOM 1256 CD GLU A 81 3.130 -5.793 6.354 1.00 0.00 C ATOM 1257 OE1 GLU A 81 3.337 -6.113 7.545 1.00 0.00 O ATOM 1258 OE2 GLU A 81 3.657 -4.835 5.748 1.00 0.00 O ATOM 0 H GLU A 81 0.553 -8.108 4.053 1.00 0.00 H new ATOM 0 HA GLU A 81 3.123 -9.327 4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.088 -8.125 6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.831 -8.206 6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.477 -6.734 4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.170 -6.168 5.554 1.00 0.00 H new ATOM 1265 N LYS A 82 2.137 -11.269 6.164 1.00 0.00 N ATOM 1266 CA LYS A 82 1.592 -12.526 6.634 1.00 0.00 C ATOM 1267 C LYS A 82 1.904 -12.706 8.114 1.00 0.00 C ATOM 1268 O LYS A 82 3.065 -12.838 8.495 1.00 0.00 O ATOM 1269 CB LYS A 82 2.179 -13.673 5.816 1.00 0.00 C ATOM 1270 CG LYS A 82 2.518 -13.175 4.414 1.00 0.00 C ATOM 1271 CD LYS A 82 1.237 -12.756 3.699 1.00 0.00 C ATOM 1272 CE LYS A 82 1.242 -13.313 2.278 1.00 0.00 C ATOM 1273 NZ LYS A 82 1.637 -14.730 2.268 1.00 0.00 N ATOM 0 H LYS A 82 3.128 -11.138 6.368 1.00 0.00 H new ATOM 0 HA LYS A 82 0.509 -12.524 6.509 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.074 -14.060 6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.466 -14.496 5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.207 -12.332 4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.022 -13.960 3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.367 -13.125 4.243 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.160 -11.669 3.675 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.251 -13.205 1.838 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.930 -12.736 1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.288 -15.182 1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.674 -14.802 2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.229 -15.210 3.095 1.00 0.00 H new ATOM 1287 N PRO A 83 0.862 -12.711 8.948 1.00 0.00 N ATOM 1288 CA PRO A 83 0.966 -12.870 10.382 1.00 0.00 C ATOM 1289 C PRO A 83 1.324 -14.312 10.711 1.00 0.00 C ATOM 1290 O PRO A 83 2.213 -14.564 11.522 1.00 0.00 O ATOM 1291 CB PRO A 83 -0.421 -12.516 10.916 1.00 0.00 C ATOM 1292 CG PRO A 83 -1.340 -12.921 9.766 1.00 0.00 C ATOM 1293 CD PRO A 83 -0.516 -12.559 8.533 1.00 0.00 C ATOM 0 HA PRO A 83 1.739 -12.241 10.824 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.653 -13.061 11.831 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.506 -11.454 11.147 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.580 -13.984 9.795 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.286 -12.380 9.794 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.751 -13.215 7.695 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.720 -11.539 8.207 1.00 0.00 H new ATOM 1301 N TRP A 84 0.629 -15.261 10.079 1.00 0.00 N ATOM 1302 CA TRP A 84 0.880 -16.670 10.310 1.00 0.00 C ATOM 1303 C TRP A 84 2.376 -16.946 10.249 1.00 0.00 C ATOM 1304 O TRP A 84 2.839 -17.981 10.722 1.00 0.00 O ATOM 1305 CB TRP A 84 0.135 -17.495 9.266 1.00 0.00 C ATOM 1306 CG TRP A 84 0.705 -17.428 7.885 1.00 0.00 C ATOM 1307 CD1 TRP A 84 1.771 -18.133 7.446 1.00 0.00 C ATOM 1308 CD2 TRP A 84 0.263 -16.623 6.750 1.00 0.00 C ATOM 1309 NE1 TRP A 84 2.017 -17.821 6.125 1.00 0.00 N ATOM 1310 CE2 TRP A 84 1.116 -16.894 5.644 1.00 0.00 C ATOM 1311 CE3 TRP A 84 -0.770 -15.693 6.540 1.00 0.00 C ATOM 1312 CZ2 TRP A 84 0.953 -16.276 4.402 1.00 0.00 C ATOM 1313 CZ3 TRP A 84 -0.942 -15.068 5.296 1.00 0.00 C ATOM 1314 CH2 TRP A 84 -0.085 -15.356 4.228 1.00 0.00 C ATOM 0 H TRP A 84 -0.111 -15.070 9.404 1.00 0.00 H new ATOM 0 HA TRP A 84 0.520 -16.950 11.300 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.123 -18.536 9.588 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.902 -17.160 9.232 1.00 0.00 H new ATOM 0 HD1 TRP A 84 2.342 -18.833 8.038 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.772 -18.226 5.572 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.443 -15.456 7.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.621 -16.506 3.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.744 -14.357 5.161 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.225 -14.870 3.274 1.00 0.00 H new ATOM 1325 N MET A 85 3.131 -16.013 9.664 1.00 0.00 N ATOM 1326 CA MET A 85 4.568 -16.162 9.544 1.00 0.00 C ATOM 1327 C MET A 85 5.244 -14.809 9.714 1.00 0.00 C ATOM 1328 O MET A 85 6.424 -14.657 9.404 1.00 0.00 O ATOM 1329 CB MET A 85 4.903 -16.765 8.183 1.00 0.00 C ATOM 1330 CG MET A 85 4.410 -15.835 7.078 1.00 0.00 C ATOM 1331 SD MET A 85 4.414 -16.583 5.430 1.00 0.00 S ATOM 1332 CE MET A 85 6.136 -16.267 4.973 1.00 0.00 C ATOM 0 H MET A 85 2.763 -15.148 9.268 1.00 0.00 H new ATOM 0 HA MET A 85 4.934 -16.829 10.324 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.979 -16.914 8.094 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.437 -17.745 8.083 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.397 -15.510 7.316 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.036 -14.943 7.062 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.326 -16.663 3.975 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.323 -15.193 4.979 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.798 -16.755 5.689 1.00 0.00 H new ATOM 1342 N ASP A 86 4.492 -13.825 10.210 1.00 0.00 N ATOM 1343 CA ASP A 86 5.020 -12.490 10.419 1.00 0.00 C ATOM 1344 C ASP A 86 5.940 -12.115 9.266 1.00 0.00 C ATOM 1345 O ASP A 86 7.160 -12.191 9.393 1.00 0.00 O ATOM 1346 CB ASP A 86 5.769 -12.443 11.747 1.00 0.00 C ATOM 1347 CG ASP A 86 4.898 -11.844 12.842 1.00 0.00 C ATOM 1348 OD1 ASP A 86 4.310 -10.773 12.577 1.00 0.00 O ATOM 1349 OD2 ASP A 86 4.836 -12.468 13.923 1.00 0.00 O ATOM 0 H ASP A 86 3.513 -13.936 10.473 1.00 0.00 H new ATOM 0 HA ASP A 86 4.202 -11.771 10.454 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.076 -13.449 12.031 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.678 -11.852 11.636 1.00 0.00 H new ATOM 1354 N PHE A 87 5.353 -11.708 8.138 1.00 0.00 N ATOM 1355 CA PHE A 87 6.123 -11.323 6.974 1.00 0.00 C ATOM 1356 C PHE A 87 5.436 -10.168 6.258 1.00 0.00 C ATOM 1357 O PHE A 87 4.312 -9.804 6.597 1.00 0.00 O ATOM 1358 CB PHE A 87 6.270 -12.524 6.043 1.00 0.00 C ATOM 1359 CG PHE A 87 6.527 -12.145 4.605 1.00 0.00 C ATOM 1360 CD1 PHE A 87 7.653 -11.384 4.272 1.00 0.00 C ATOM 1361 CD2 PHE A 87 5.641 -12.558 3.603 1.00 0.00 C ATOM 1362 CE1 PHE A 87 7.892 -11.035 2.938 1.00 0.00 C ATOM 1363 CE2 PHE A 87 5.880 -12.209 2.268 1.00 0.00 C ATOM 1364 CZ PHE A 87 7.006 -11.447 1.935 1.00 0.00 C ATOM 0 H PHE A 87 4.343 -11.640 8.015 1.00 0.00 H new ATOM 0 HA PHE A 87 7.115 -10.994 7.283 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.089 -13.150 6.397 1.00 0.00 H new ATOM 0 HB3 PHE A 87 5.363 -13.127 6.095 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.338 -11.066 5.044 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.772 -13.146 3.860 1.00 0.00 H new ATOM 0 HE1 PHE A 87 8.761 -10.447 2.682 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.196 -12.528 1.496 1.00 0.00 H new ATOM 0 HZ PHE A 87 7.191 -11.177 0.906 1.00 0.00 H new ATOM 1374 N LYS A 88 6.116 -9.591 5.264 1.00 0.00 N ATOM 1375 CA LYS A 88 5.568 -8.483 4.508 1.00 0.00 C ATOM 1376 C LYS A 88 6.457 -8.187 3.308 1.00 0.00 C ATOM 1377 O LYS A 88 7.662 -8.418 3.351 1.00 0.00 O ATOM 1378 CB LYS A 88 5.453 -7.259 5.411 1.00 0.00 C ATOM 1379 CG LYS A 88 6.846 -6.829 5.864 1.00 0.00 C ATOM 1380 CD LYS A 88 6.905 -5.307 5.954 1.00 0.00 C ATOM 1381 CE LYS A 88 7.310 -4.896 7.367 1.00 0.00 C ATOM 1382 NZ LYS A 88 6.386 -5.458 8.365 1.00 0.00 N ATOM 0 H LYS A 88 7.049 -9.880 4.970 1.00 0.00 H new ATOM 0 HA LYS A 88 4.574 -8.743 4.143 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.965 -6.444 4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.832 -7.489 6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.077 -7.270 6.833 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.596 -7.192 5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.621 -4.917 5.231 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.934 -4.879 5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.324 -5.238 7.572 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.318 -3.809 7.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.293 -4.797 9.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.454 -5.608 7.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.757 -6.366 8.709 1.00 0.00 H new ATOM 1396 N GLU A 89 5.856 -7.671 2.233 1.00 0.00 N ATOM 1397 CA GLU A 89 6.594 -7.344 1.029 1.00 0.00 C ATOM 1398 C GLU A 89 5.804 -6.351 0.189 1.00 0.00 C ATOM 1399 O GLU A 89 4.636 -6.588 -0.123 1.00 0.00 O ATOM 1400 CB GLU A 89 6.869 -8.622 0.241 1.00 0.00 C ATOM 1401 CG GLU A 89 7.700 -8.288 -0.994 1.00 0.00 C ATOM 1402 CD GLU A 89 8.991 -9.093 -1.015 1.00 0.00 C ATOM 1403 OE1 GLU A 89 9.812 -8.874 -0.097 1.00 0.00 O ATOM 1404 OE2 GLU A 89 9.134 -9.914 -1.946 1.00 0.00 O ATOM 0 H GLU A 89 4.857 -7.473 2.180 1.00 0.00 H new ATOM 0 HA GLU A 89 7.545 -6.884 1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.399 -9.341 0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.930 -9.089 -0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.122 -8.498 -1.894 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.931 -7.223 -1.004 1.00 0.00 H new ATOM 1411 N LEU A 90 6.443 -5.241 -0.178 1.00 0.00 N ATOM 1412 CA LEU A 90 5.802 -4.197 -0.978 1.00 0.00 C ATOM 1413 C LEU A 90 5.467 -4.682 -2.390 1.00 0.00 C ATOM 1414 O LEU A 90 6.312 -5.240 -3.086 1.00 0.00 O ATOM 1415 CB LEU A 90 6.715 -2.971 -1.050 1.00 0.00 C ATOM 1416 CG LEU A 90 6.026 -1.677 -1.531 1.00 0.00 C ATOM 1417 CD1 LEU A 90 5.246 -1.911 -2.821 1.00 0.00 C ATOM 1418 CD2 LEU A 90 5.104 -1.118 -0.453 1.00 0.00 C ATOM 0 H LEU A 90 7.412 -5.040 0.068 1.00 0.00 H new ATOM 0 HA LEU A 90 4.863 -3.933 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.140 -2.794 -0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.546 -3.193 -1.719 1.00 0.00 H new ATOM 0 HG LEU A 90 6.809 -0.946 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.772 -0.980 -3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.927 -2.252 -3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.481 -2.668 -2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.630 -0.206 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.337 -1.854 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.685 -0.893 0.442 1.00 0.00 H new ATOM 1430 N GLN A 91 4.216 -4.465 -2.802 1.00 0.00 N ATOM 1431 CA GLN A 91 3.761 -4.878 -4.114 1.00 0.00 C ATOM 1432 C GLN A 91 3.867 -3.713 -5.088 1.00 0.00 C ATOM 1433 O GLN A 91 4.333 -3.881 -6.214 1.00 0.00 O ATOM 1434 CB GLN A 91 2.321 -5.374 -4.019 1.00 0.00 C ATOM 1435 CG GLN A 91 2.244 -6.530 -3.026 1.00 0.00 C ATOM 1436 CD GLN A 91 1.182 -7.536 -3.445 1.00 0.00 C ATOM 1437 OE1 GLN A 91 0.128 -7.154 -3.950 1.00 0.00 O ATOM 1438 NE2 GLN A 91 1.462 -8.824 -3.234 1.00 0.00 N ATOM 0 H GLN A 91 3.504 -4.003 -2.237 1.00 0.00 H new ATOM 0 HA GLN A 91 4.388 -5.690 -4.481 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.666 -4.563 -3.700 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.972 -5.699 -4.999 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.213 -7.024 -2.961 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.015 -6.146 -2.032 1.00 0.00 H new ATOM 0 HE21 GLN A 91 2.351 -9.090 -2.812 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.786 -9.542 -3.495 1.00 0.00 H new ATOM 1447 N GLU A 92 3.434 -2.528 -4.653 1.00 0.00 N ATOM 1448 CA GLU A 92 3.485 -1.344 -5.487 1.00 0.00 C ATOM 1449 C GLU A 92 2.612 -0.249 -4.889 1.00 0.00 C ATOM 1450 O GLU A 92 1.501 -0.514 -4.436 1.00 0.00 O ATOM 1451 CB GLU A 92 3.020 -1.697 -6.897 1.00 0.00 C ATOM 1452 CG GLU A 92 4.212 -1.667 -7.848 1.00 0.00 C ATOM 1453 CD GLU A 92 3.969 -2.565 -9.053 1.00 0.00 C ATOM 1454 OE1 GLU A 92 3.022 -2.258 -9.808 1.00 0.00 O ATOM 1455 OE2 GLU A 92 4.734 -3.544 -9.194 1.00 0.00 O ATOM 0 H GLU A 92 3.044 -2.371 -3.724 1.00 0.00 H new ATOM 0 HA GLU A 92 4.509 -0.975 -5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.561 -2.686 -6.903 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.259 -0.990 -7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.390 -0.645 -8.181 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.110 -1.992 -7.322 1.00 0.00 H new ATOM 1462 N PHE A 93 3.120 0.985 -4.890 1.00 0.00 N ATOM 1463 CA PHE A 93 2.386 2.112 -4.350 1.00 0.00 C ATOM 1464 C PHE A 93 2.330 3.233 -5.379 1.00 0.00 C ATOM 1465 O PHE A 93 3.151 4.147 -5.351 1.00 0.00 O ATOM 1466 CB PHE A 93 3.060 2.588 -3.067 1.00 0.00 C ATOM 1467 CG PHE A 93 4.119 3.640 -3.297 1.00 0.00 C ATOM 1468 CD1 PHE A 93 5.313 3.302 -3.944 1.00 0.00 C ATOM 1469 CD2 PHE A 93 3.905 4.955 -2.865 1.00 0.00 C ATOM 1470 CE1 PHE A 93 6.294 4.278 -4.158 1.00 0.00 C ATOM 1471 CE2 PHE A 93 4.886 5.931 -3.080 1.00 0.00 C ATOM 1472 CZ PHE A 93 6.080 5.592 -3.726 1.00 0.00 C ATOM 0 H PHE A 93 4.040 1.221 -5.262 1.00 0.00 H new ATOM 0 HA PHE A 93 1.365 1.809 -4.118 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.301 2.989 -2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.512 1.733 -2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.478 2.288 -4.278 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.983 5.216 -2.366 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.216 4.017 -4.656 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.721 6.945 -2.747 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.837 6.345 -3.891 1.00 0.00 H new ATOM 1482 N LYS A 94 1.356 3.161 -6.289 1.00 0.00 N ATOM 1483 CA LYS A 94 1.198 4.167 -7.320 1.00 0.00 C ATOM 1484 C LYS A 94 -0.215 4.115 -7.883 1.00 0.00 C ATOM 1485 O LYS A 94 -0.911 3.113 -7.732 1.00 0.00 O ATOM 1486 CB LYS A 94 2.227 3.931 -8.421 1.00 0.00 C ATOM 1487 CG LYS A 94 2.158 2.477 -8.879 1.00 0.00 C ATOM 1488 CD LYS A 94 3.303 2.192 -9.847 1.00 0.00 C ATOM 1489 CE LYS A 94 2.762 2.130 -11.272 1.00 0.00 C ATOM 1490 NZ LYS A 94 3.769 2.591 -12.240 1.00 0.00 N ATOM 0 H LYS A 94 0.667 2.410 -6.325 1.00 0.00 H new ATOM 0 HA LYS A 94 1.360 5.157 -6.894 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.035 4.598 -9.262 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.227 4.161 -8.054 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.221 1.811 -8.019 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.201 2.283 -9.364 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.062 2.971 -9.768 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.785 1.249 -9.589 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.467 1.108 -11.508 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.867 2.747 -11.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.376 2.539 -13.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.031 3.574 -12.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.613 1.986 -12.178 1.00 0.00 H new ATOM 1504 N PRO A 95 -0.639 5.201 -8.533 1.00 0.00 N ATOM 1505 CA PRO A 95 -1.948 5.332 -9.134 1.00 0.00 C ATOM 1506 C PRO A 95 -2.025 4.468 -10.384 1.00 0.00 C ATOM 1507 O PRO A 95 -3.039 4.467 -11.080 1.00 0.00 O ATOM 1508 CB PRO A 95 -2.071 6.814 -9.485 1.00 0.00 C ATOM 1509 CG PRO A 95 -0.623 7.218 -9.755 1.00 0.00 C ATOM 1510 CD PRO A 95 0.152 6.397 -8.727 1.00 0.00 C ATOM 0 HA PRO A 95 -2.752 5.008 -8.473 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.705 6.972 -10.358 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.506 7.389 -8.667 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.320 6.980 -10.775 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.469 8.288 -9.618 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.152 6.155 -9.087 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.274 6.946 -7.793 1.00 0.00 H new ATOM 1518 N VAL A 96 -0.949 3.731 -10.669 1.00 0.00 N ATOM 1519 CA VAL A 96 -0.898 2.868 -11.833 1.00 0.00 C ATOM 1520 C VAL A 96 -1.207 3.675 -13.085 1.00 0.00 C ATOM 1521 O VAL A 96 -2.331 3.650 -13.582 1.00 0.00 O ATOM 1522 CB VAL A 96 -1.899 1.728 -11.662 1.00 0.00 C ATOM 1523 CG1 VAL A 96 -1.904 0.865 -12.920 1.00 0.00 C ATOM 1524 CG2 VAL A 96 -1.499 0.876 -10.462 1.00 0.00 C ATOM 0 H VAL A 96 -0.102 3.721 -10.101 1.00 0.00 H new ATOM 0 HA VAL A 96 0.101 2.444 -11.936 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.895 2.139 -11.499 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.618 0.050 -12.800 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.189 1.474 -13.778 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.908 0.453 -13.083 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.213 0.062 -10.339 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.503 0.464 -10.624 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.494 1.493 -9.563 1.00 0.00 H new