USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 796 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 69 ASN : amide:sc= 0.47 K(o=0.27,f=-2.5) USER MOD Set 1.2: A 73 TYR OH : rot 105:sc= 1.13 USER MOD Set 1.3: A 90 MET CE :methyl -169:sc= -1.33 (180deg=-1.78) USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 32 ASN : amide:sc= -2.17 K(o=-2.1,f=-2.9!) USER MOD Set 2.3: A 36 SER OG : rot -102:sc= 0.0916 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 148:sc= -2.18 USER MOD Single : A 19 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.495) USER MOD Single : A 22 THR OG1 : rot -71:sc= 1.09 USER MOD Single : A 29 LYS NZ :NH3+ 123:sc= -0.0703 (180deg=-0.468) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.157 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.339! C(o=-0.34!,f=-8.5!) USER MOD Single : A 42 SER OG : rot 150:sc=-0.00573 USER MOD Single : A 44 CYS SG : rot 72:sc= -1.2 USER MOD Single : A 48 HIS :FLIP no HD1:sc= -3.41 F(o=-5.1!,f=-3.4) USER MOD Single : A 49 HIS : no HD1:sc= -4.89! X(o=-4.9!,f=-4.6) USER MOD Single : A 57 TYR OH : rot 165:sc= -0.0983 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -50:sc= 0.585 USER MOD Single : A 61 ASN :FLIP amide:sc= -0.853 F(o=-1.7,f=-0.85) USER MOD Single : A 63 GLN : amide:sc= -13.4! C(o=-13!,f=-19!) USER MOD Single : A 66 LYS NZ :NH3+ -130:sc= -1.85 (180deg=-3.45!) USER MOD Single : A 68 ASN : amide:sc= -0.484 K(o=-0.48,f=-1.4) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 152:sc= -2.84 (180deg=-3.68!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -170:sc= -0.0261 USER MOD Single : A 102 MET CE :methyl -154:sc= 0 (180deg=-0.0529) USER MOD Single : A 103 THR OG1 : rot 102:sc= 1.02 USER MOD Single : A 104 TYR OH : rot 30:sc= -0.0846 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 111 HIS :FLIP no HE2:sc= -1.57 F(o=-2.9!,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 115 N GLN A 12 11.737 1.020 -9.311 1.00 0.00 N ATOM 116 CA GLN A 12 10.981 0.240 -10.284 1.00 0.00 C ATOM 117 C GLN A 12 10.444 -1.042 -9.655 1.00 0.00 C ATOM 118 O GLN A 12 9.250 -1.331 -9.736 1.00 0.00 O ATOM 119 CB GLN A 12 11.860 -0.100 -11.490 1.00 0.00 C ATOM 120 CG GLN A 12 11.184 -1.018 -12.495 1.00 0.00 C ATOM 121 CD GLN A 12 12.178 -1.747 -13.378 1.00 0.00 C ATOM 122 OE1 GLN A 12 13.188 -1.181 -13.796 1.00 0.00 O ATOM 123 NE2 GLN A 12 11.895 -3.012 -13.668 1.00 0.00 N ATOM 0 HA GLN A 12 10.136 0.842 -10.617 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.148 0.824 -11.991 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.778 -0.572 -11.139 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.573 -1.747 -11.962 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.509 -0.433 -13.120 1.00 0.00 H new ATOM 0 HE21 GLN A 12 11.046 -3.442 -13.300 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.526 -3.553 -14.259 1.00 0.00 H new ATOM 132 N SER A 13 11.333 -1.806 -9.030 1.00 0.00 N ATOM 133 CA SER A 13 10.949 -3.059 -8.391 1.00 0.00 C ATOM 134 C SER A 13 9.688 -2.876 -7.551 1.00 0.00 C ATOM 135 O SER A 13 8.676 -3.542 -7.775 1.00 0.00 O ATOM 136 CB SER A 13 12.089 -3.580 -7.513 1.00 0.00 C ATOM 137 OG SER A 13 12.955 -4.425 -8.251 1.00 0.00 O ATOM 0 H SER A 13 12.324 -1.579 -8.952 1.00 0.00 H new ATOM 0 HA SER A 13 10.741 -3.788 -9.174 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.653 -2.740 -7.108 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.678 -4.127 -6.664 1.00 0.00 H new ATOM 0 HG SER A 13 13.676 -4.744 -7.669 1.00 0.00 H new ATOM 143 N LEU A 14 9.757 -1.970 -6.582 1.00 0.00 N ATOM 144 CA LEU A 14 8.622 -1.697 -5.707 1.00 0.00 C ATOM 145 C LEU A 14 7.380 -1.345 -6.519 1.00 0.00 C ATOM 146 O LEU A 14 6.342 -1.997 -6.400 1.00 0.00 O ATOM 147 CB LEU A 14 8.957 -0.556 -4.745 1.00 0.00 C ATOM 148 CG LEU A 14 7.772 0.072 -4.010 1.00 0.00 C ATOM 149 CD1 LEU A 14 7.216 -0.892 -2.973 1.00 0.00 C ATOM 150 CD2 LEU A 14 8.185 1.383 -3.356 1.00 0.00 C ATOM 0 H LEU A 14 10.587 -1.412 -6.382 1.00 0.00 H new ATOM 0 HA LEU A 14 8.413 -2.599 -5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.663 -0.929 -4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.468 0.227 -5.306 1.00 0.00 H new ATOM 0 HG LEU A 14 6.988 0.283 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.374 -0.428 -2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.882 -1.805 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.993 -1.135 -2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.330 1.816 -2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.986 1.196 -2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.535 2.077 -4.121 1.00 0.00 H new ATOM 162 N LEU A 15 7.494 -0.312 -7.346 1.00 0.00 N ATOM 163 CA LEU A 15 6.381 0.126 -8.181 1.00 0.00 C ATOM 164 C LEU A 15 5.711 -1.062 -8.863 1.00 0.00 C ATOM 165 O LEU A 15 4.494 -1.080 -9.049 1.00 0.00 O ATOM 166 CB LEU A 15 6.869 1.124 -9.233 1.00 0.00 C ATOM 167 CG LEU A 15 5.781 1.833 -10.041 1.00 0.00 C ATOM 168 CD1 LEU A 15 5.253 3.039 -9.282 1.00 0.00 C ATOM 169 CD2 LEU A 15 6.315 2.250 -11.404 1.00 0.00 C ATOM 0 H LEU A 15 8.346 0.238 -7.456 1.00 0.00 H new ATOM 0 HA LEU A 15 5.647 0.614 -7.539 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.474 1.881 -8.734 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.525 0.598 -9.927 1.00 0.00 H new ATOM 0 HG LEU A 15 4.957 1.136 -10.194 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.480 3.531 -9.873 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.832 2.714 -8.331 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.068 3.738 -9.098 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.527 2.753 -11.965 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.157 2.929 -11.273 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.643 1.367 -11.952 1.00 0.00 H new ATOM 181 N VAL A 16 6.514 -2.056 -9.233 1.00 0.00 N ATOM 182 CA VAL A 16 5.998 -3.250 -9.891 1.00 0.00 C ATOM 183 C VAL A 16 5.346 -4.193 -8.886 1.00 0.00 C ATOM 184 O VAL A 16 4.252 -4.706 -9.121 1.00 0.00 O ATOM 185 CB VAL A 16 7.114 -4.005 -10.637 1.00 0.00 C ATOM 186 CG1 VAL A 16 6.548 -5.220 -11.358 1.00 0.00 C ATOM 187 CG2 VAL A 16 7.823 -3.079 -11.614 1.00 0.00 C ATOM 0 H VAL A 16 7.524 -2.057 -9.088 1.00 0.00 H new ATOM 0 HA VAL A 16 5.250 -2.917 -10.611 1.00 0.00 H new ATOM 0 HB VAL A 16 7.844 -4.353 -9.906 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.351 -5.741 -11.879 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.090 -5.893 -10.633 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.797 -4.898 -12.079 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.608 -3.629 -12.132 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.105 -2.699 -12.341 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.264 -2.244 -11.069 1.00 0.00 H new ATOM 197 N TRP A 17 6.024 -4.417 -7.767 1.00 0.00 N ATOM 198 CA TRP A 17 5.510 -5.298 -6.725 1.00 0.00 C ATOM 199 C TRP A 17 4.000 -5.145 -6.579 1.00 0.00 C ATOM 200 O TRP A 17 3.262 -6.131 -6.600 1.00 0.00 O ATOM 201 CB TRP A 17 6.197 -5.000 -5.391 1.00 0.00 C ATOM 202 CG TRP A 17 5.815 -5.954 -4.300 1.00 0.00 C ATOM 203 CD1 TRP A 17 6.336 -7.198 -4.079 1.00 0.00 C ATOM 204 CD2 TRP A 17 4.830 -5.743 -3.283 1.00 0.00 C ATOM 205 NE1 TRP A 17 5.733 -7.772 -2.986 1.00 0.00 N ATOM 206 CE2 TRP A 17 4.806 -6.900 -2.479 1.00 0.00 C ATOM 207 CE3 TRP A 17 3.967 -4.689 -2.972 1.00 0.00 C ATOM 208 CZ2 TRP A 17 3.953 -7.029 -1.387 1.00 0.00 C ATOM 209 CZ3 TRP A 17 3.120 -4.819 -1.887 1.00 0.00 C ATOM 210 CH2 TRP A 17 3.118 -5.982 -1.105 1.00 0.00 C ATOM 0 H TRP A 17 6.931 -4.001 -7.558 1.00 0.00 H new ATOM 0 HA TRP A 17 5.726 -6.326 -7.014 1.00 0.00 H new ATOM 0 HB2 TRP A 17 7.277 -5.034 -5.531 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.947 -3.985 -5.081 1.00 0.00 H new ATOM 0 HD1 TRP A 17 7.108 -7.661 -4.676 1.00 0.00 H new ATOM 0 HE1 TRP A 17 5.942 -8.698 -2.612 1.00 0.00 H new ATOM 0 HE3 TRP A 17 3.962 -3.789 -3.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 3.950 -7.924 -0.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.449 -4.011 -1.638 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.445 -6.053 -0.264 1.00 0.00 H new ATOM 221 N CYS A 18 3.547 -3.905 -6.430 1.00 0.00 N ATOM 222 CA CYS A 18 2.124 -3.624 -6.280 1.00 0.00 C ATOM 223 C CYS A 18 1.370 -3.928 -7.571 1.00 0.00 C ATOM 224 O CYS A 18 0.306 -4.545 -7.551 1.00 0.00 O ATOM 225 CB CYS A 18 1.911 -2.163 -5.882 1.00 0.00 C ATOM 226 SG CYS A 18 0.227 -1.782 -5.344 1.00 0.00 S ATOM 0 H CYS A 18 4.145 -3.079 -6.410 1.00 0.00 H new ATOM 0 HA CYS A 18 1.733 -4.268 -5.493 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.603 -1.912 -5.078 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.163 -1.526 -6.730 1.00 0.00 H new ATOM 0 HG CYS A 18 0.260 -0.841 -4.448 1.00 0.00 H new ATOM 232 N LYS A 19 1.929 -3.487 -8.693 1.00 0.00 N ATOM 233 CA LYS A 19 1.311 -3.711 -9.995 1.00 0.00 C ATOM 234 C LYS A 19 1.106 -5.200 -10.251 1.00 0.00 C ATOM 235 O LYS A 19 0.278 -5.589 -11.075 1.00 0.00 O ATOM 236 CB LYS A 19 2.175 -3.106 -11.103 1.00 0.00 C ATOM 237 CG LYS A 19 2.228 -1.588 -11.073 1.00 0.00 C ATOM 238 CD LYS A 19 3.327 -1.051 -11.975 1.00 0.00 C ATOM 239 CE LYS A 19 2.817 -0.800 -13.386 1.00 0.00 C ATOM 240 NZ LYS A 19 2.885 -2.028 -14.226 1.00 0.00 N ATOM 0 H LYS A 19 2.809 -2.972 -8.727 1.00 0.00 H new ATOM 0 HA LYS A 19 0.336 -3.223 -9.996 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.188 -3.498 -11.017 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.789 -3.429 -12.070 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.267 -1.183 -11.389 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.397 -1.249 -10.051 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.720 -0.123 -11.559 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.153 -1.762 -12.007 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.787 -0.446 -13.342 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.406 -0.009 -13.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.930 -1.760 -15.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.734 -2.574 -13.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.039 -2.609 -14.060 1.00 0.00 H new ATOM 254 N GLU A 20 1.864 -6.029 -9.540 1.00 0.00 N ATOM 255 CA GLU A 20 1.763 -7.476 -9.691 1.00 0.00 C ATOM 256 C GLU A 20 0.615 -8.032 -8.854 1.00 0.00 C ATOM 257 O GLU A 20 -0.346 -8.587 -9.389 1.00 0.00 O ATOM 258 CB GLU A 20 3.077 -8.146 -9.284 1.00 0.00 C ATOM 259 CG GLU A 20 3.325 -9.473 -9.980 1.00 0.00 C ATOM 260 CD GLU A 20 2.983 -9.430 -11.457 1.00 0.00 C ATOM 261 OE1 GLU A 20 3.862 -9.046 -12.257 1.00 0.00 O ATOM 262 OE2 GLU A 20 1.838 -9.778 -11.813 1.00 0.00 O ATOM 0 H GLU A 20 2.554 -5.724 -8.854 1.00 0.00 H new ATOM 0 HA GLU A 20 1.562 -7.693 -10.740 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.903 -7.470 -9.504 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.075 -8.306 -8.206 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.372 -9.751 -9.861 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.732 -10.249 -9.496 1.00 0.00 H new ATOM 269 N VAL A 21 0.722 -7.879 -7.538 1.00 0.00 N ATOM 270 CA VAL A 21 -0.307 -8.365 -6.626 1.00 0.00 C ATOM 271 C VAL A 21 -1.677 -7.809 -6.997 1.00 0.00 C ATOM 272 O VAL A 21 -2.704 -8.445 -6.759 1.00 0.00 O ATOM 273 CB VAL A 21 0.011 -7.987 -5.168 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.474 -8.261 -4.852 1.00 0.00 C ATOM 275 CG2 VAL A 21 -0.335 -6.529 -4.908 1.00 0.00 C ATOM 0 H VAL A 21 1.511 -7.423 -7.080 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.322 -9.451 -6.716 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.600 -8.604 -4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.680 -7.988 -3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.685 -9.321 -4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.106 -7.671 -5.516 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.104 -6.279 -3.873 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.248 -5.892 -5.574 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.397 -6.369 -5.091 1.00 0.00 H new ATOM 285 N THR A 22 -1.687 -6.614 -7.581 1.00 0.00 N ATOM 286 CA THR A 22 -2.930 -5.970 -7.984 1.00 0.00 C ATOM 287 C THR A 22 -3.298 -6.333 -9.418 1.00 0.00 C ATOM 288 O THR A 22 -3.960 -5.563 -10.114 1.00 0.00 O ATOM 289 CB THR A 22 -2.834 -4.438 -7.863 1.00 0.00 C ATOM 290 OG1 THR A 22 -1.821 -3.939 -8.743 1.00 0.00 O ATOM 291 CG2 THR A 22 -2.518 -4.027 -6.433 1.00 0.00 C ATOM 0 H THR A 22 -0.847 -6.073 -7.785 1.00 0.00 H new ATOM 0 HA THR A 22 -3.706 -6.332 -7.310 1.00 0.00 H new ATOM 0 HB THR A 22 -3.798 -4.013 -8.142 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.938 -4.196 -8.404 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.455 -2.941 -6.372 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.306 -4.383 -5.770 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.566 -4.463 -6.131 1.00 0.00 H new ATOM 387 N VAL A 28 -7.008 -0.268 -9.821 1.00 0.00 N ATOM 388 CA VAL A 28 -5.678 -0.198 -9.227 1.00 0.00 C ATOM 389 C VAL A 28 -4.654 0.320 -10.232 1.00 0.00 C ATOM 390 O VAL A 28 -4.241 -0.401 -11.141 1.00 0.00 O ATOM 391 CB VAL A 28 -5.221 -1.574 -8.709 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.822 -1.486 -8.120 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.208 -2.110 -7.682 1.00 0.00 C ATOM 0 HA VAL A 28 -5.743 0.495 -8.388 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.192 -2.268 -9.549 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.517 -2.468 -7.759 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.125 -1.148 -8.887 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.820 -0.778 -7.291 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.870 -3.083 -7.326 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.271 -1.418 -6.842 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.191 -2.213 -8.141 1.00 0.00 H new ATOM 403 N LYS A 29 -4.248 1.573 -10.062 1.00 0.00 N ATOM 404 CA LYS A 29 -3.271 2.189 -10.952 1.00 0.00 C ATOM 405 C LYS A 29 -2.213 2.947 -10.157 1.00 0.00 C ATOM 406 O LYS A 29 -2.404 4.112 -9.805 1.00 0.00 O ATOM 407 CB LYS A 29 -3.968 3.138 -11.930 1.00 0.00 C ATOM 408 CG LYS A 29 -3.145 3.446 -13.169 1.00 0.00 C ATOM 409 CD LYS A 29 -3.597 4.737 -13.831 1.00 0.00 C ATOM 410 CE LYS A 29 -3.080 4.842 -15.257 1.00 0.00 C ATOM 411 NZ LYS A 29 -3.671 3.799 -16.140 1.00 0.00 N ATOM 0 H LYS A 29 -4.581 2.183 -9.315 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.778 1.396 -11.515 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.918 2.699 -12.235 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.199 4.071 -11.416 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.092 3.524 -12.898 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.231 2.623 -13.878 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.686 4.784 -13.833 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.242 5.589 -13.250 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.313 5.829 -15.656 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.994 4.746 -15.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.146 4.254 -16.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.918 3.174 -16.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.362 3.239 -15.601 1.00 0.00 H new ATOM 425 N ILE A 30 -1.097 2.281 -9.880 1.00 0.00 N ATOM 426 CA ILE A 30 -0.009 2.894 -9.129 1.00 0.00 C ATOM 427 C ILE A 30 0.880 3.735 -10.038 1.00 0.00 C ATOM 428 O ILE A 30 1.991 3.333 -10.385 1.00 0.00 O ATOM 429 CB ILE A 30 0.856 1.833 -8.423 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.027 0.879 -7.615 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.885 2.501 -7.524 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.498 -0.322 -8.404 1.00 0.00 C ATOM 0 H ILE A 30 -0.923 1.317 -10.164 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.467 3.536 -8.377 1.00 0.00 H new ATOM 0 HB ILE A 30 1.385 1.255 -9.180 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.528 0.535 -6.742 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.895 1.425 -7.246 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.488 1.738 -7.032 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.530 3.143 -8.124 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.375 3.101 -6.771 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.118 -0.954 -7.769 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.080 0.012 -9.263 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.365 -0.891 -8.750 1.00 0.00 H new ATOM 444 N THR A 31 0.385 4.908 -10.421 1.00 0.00 N ATOM 445 CA THR A 31 1.134 5.807 -11.289 1.00 0.00 C ATOM 446 C THR A 31 2.118 6.652 -10.488 1.00 0.00 C ATOM 447 O THR A 31 3.098 7.161 -11.030 1.00 0.00 O ATOM 448 CB THR A 31 0.195 6.741 -12.076 1.00 0.00 C ATOM 449 OG1 THR A 31 -0.591 7.523 -11.169 1.00 0.00 O ATOM 450 CG2 THR A 31 -0.722 5.942 -12.990 1.00 0.00 C ATOM 0 H THR A 31 -0.532 5.257 -10.143 1.00 0.00 H new ATOM 0 HA THR A 31 1.684 5.181 -11.992 1.00 0.00 H new ATOM 0 HB THR A 31 0.807 7.402 -12.689 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.184 8.115 -11.677 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.376 6.623 -13.535 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.122 5.370 -13.698 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.326 5.259 -12.393 1.00 0.00 H new ATOM 458 N ASN A 32 1.850 6.797 -9.195 1.00 0.00 N ATOM 459 CA ASN A 32 2.713 7.581 -8.318 1.00 0.00 C ATOM 460 C ASN A 32 2.695 7.025 -6.898 1.00 0.00 C ATOM 461 O ASN A 32 2.014 6.039 -6.614 1.00 0.00 O ATOM 462 CB ASN A 32 2.272 9.046 -8.310 1.00 0.00 C ATOM 463 CG ASN A 32 1.827 9.523 -9.679 1.00 0.00 C ATOM 464 OD1 ASN A 32 2.603 9.515 -10.634 1.00 0.00 O ATOM 465 ND2 ASN A 32 0.570 9.942 -9.780 1.00 0.00 N ATOM 0 H ASN A 32 1.042 6.382 -8.731 1.00 0.00 H new ATOM 0 HA ASN A 32 3.732 7.517 -8.701 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.454 9.173 -7.601 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.096 9.669 -7.961 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.214 10.274 -10.676 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.039 9.931 -8.961 1.00 0.00 H new ATOM 472 N PHE A 33 3.448 7.664 -6.009 1.00 0.00 N ATOM 473 CA PHE A 33 3.520 7.233 -4.617 1.00 0.00 C ATOM 474 C PHE A 33 3.073 8.351 -3.679 1.00 0.00 C ATOM 475 O PHE A 33 3.551 8.457 -2.549 1.00 0.00 O ATOM 476 CB PHE A 33 4.944 6.798 -4.268 1.00 0.00 C ATOM 477 CG PHE A 33 5.302 5.439 -4.797 1.00 0.00 C ATOM 478 CD1 PHE A 33 4.800 4.294 -4.200 1.00 0.00 C ATOM 479 CD2 PHE A 33 6.141 5.306 -5.892 1.00 0.00 C ATOM 480 CE1 PHE A 33 5.128 3.042 -4.685 1.00 0.00 C ATOM 481 CE2 PHE A 33 6.473 4.057 -6.382 1.00 0.00 C ATOM 482 CZ PHE A 33 5.965 2.923 -5.778 1.00 0.00 C ATOM 0 H PHE A 33 4.017 8.482 -6.227 1.00 0.00 H new ATOM 0 HA PHE A 33 2.848 6.384 -4.490 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.647 7.530 -4.665 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.061 6.800 -3.184 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.145 4.381 -3.346 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.540 6.189 -6.368 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.730 2.157 -4.210 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.128 3.968 -7.236 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.222 1.946 -6.159 1.00 0.00 H new ATOM 492 N THR A 34 2.152 9.183 -4.155 1.00 0.00 N ATOM 493 CA THR A 34 1.641 10.293 -3.361 1.00 0.00 C ATOM 494 C THR A 34 0.118 10.274 -3.304 1.00 0.00 C ATOM 495 O THR A 34 -0.471 10.017 -2.254 1.00 0.00 O ATOM 496 CB THR A 34 2.105 11.649 -3.927 1.00 0.00 C ATOM 497 OG1 THR A 34 1.851 11.704 -5.335 1.00 0.00 O ATOM 498 CG2 THR A 34 3.588 11.866 -3.665 1.00 0.00 C ATOM 0 H THR A 34 1.745 9.109 -5.087 1.00 0.00 H new ATOM 0 HA THR A 34 2.041 10.171 -2.354 1.00 0.00 H new ATOM 0 HB THR A 34 1.545 12.438 -3.426 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.147 12.569 -5.687 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.892 12.830 -4.074 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.774 11.852 -2.591 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.162 11.072 -4.143 1.00 0.00 H new ATOM 506 N THR A 35 -0.516 10.545 -4.441 1.00 0.00 N ATOM 507 CA THR A 35 -1.971 10.559 -4.520 1.00 0.00 C ATOM 508 C THR A 35 -2.519 9.167 -4.811 1.00 0.00 C ATOM 509 O THR A 35 -3.622 8.822 -4.387 1.00 0.00 O ATOM 510 CB THR A 35 -2.465 11.530 -5.608 1.00 0.00 C ATOM 511 OG1 THR A 35 -1.906 11.170 -6.877 1.00 0.00 O ATOM 512 CG2 THR A 35 -2.083 12.963 -5.269 1.00 0.00 C ATOM 0 H THR A 35 -0.044 10.758 -5.320 1.00 0.00 H new ATOM 0 HA THR A 35 -2.337 10.895 -3.550 1.00 0.00 H new ATOM 0 HB THR A 35 -3.552 11.462 -5.657 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.226 11.791 -7.564 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.443 13.630 -6.052 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.534 13.244 -4.317 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.998 13.043 -5.194 1.00 0.00 H new ATOM 520 N SER A 36 -1.741 8.369 -5.536 1.00 0.00 N ATOM 521 CA SER A 36 -2.151 7.014 -5.886 1.00 0.00 C ATOM 522 C SER A 36 -2.506 6.214 -4.636 1.00 0.00 C ATOM 523 O SER A 36 -3.367 5.335 -4.673 1.00 0.00 O ATOM 524 CB SER A 36 -1.037 6.306 -6.660 1.00 0.00 C ATOM 525 OG SER A 36 -1.166 6.524 -8.054 1.00 0.00 O ATOM 0 H SER A 36 -0.824 8.637 -5.892 1.00 0.00 H new ATOM 0 HA SER A 36 -3.037 7.080 -6.517 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.067 6.669 -6.320 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.068 5.237 -6.452 1.00 0.00 H new ATOM 0 HG SER A 36 -1.549 5.727 -8.476 1.00 0.00 H new ATOM 531 N TRP A 37 -1.835 6.525 -3.533 1.00 0.00 N ATOM 532 CA TRP A 37 -2.079 5.835 -2.271 1.00 0.00 C ATOM 533 C TRP A 37 -2.872 6.717 -1.313 1.00 0.00 C ATOM 534 O TRP A 37 -3.444 6.231 -0.337 1.00 0.00 O ATOM 535 CB TRP A 37 -0.754 5.423 -1.627 1.00 0.00 C ATOM 536 CG TRP A 37 0.180 4.737 -2.577 1.00 0.00 C ATOM 537 CD1 TRP A 37 0.915 5.321 -3.569 1.00 0.00 C ATOM 538 CD2 TRP A 37 0.478 3.337 -2.625 1.00 0.00 C ATOM 539 NE1 TRP A 37 1.651 4.368 -4.232 1.00 0.00 N ATOM 540 CE2 TRP A 37 1.402 3.144 -3.671 1.00 0.00 C ATOM 541 CE3 TRP A 37 0.056 2.229 -1.886 1.00 0.00 C ATOM 542 CZ2 TRP A 37 1.908 1.887 -3.994 1.00 0.00 C ATOM 543 CZ3 TRP A 37 0.559 0.983 -2.208 1.00 0.00 C ATOM 544 CH2 TRP A 37 1.477 0.820 -3.254 1.00 0.00 C ATOM 0 H TRP A 37 -1.119 7.249 -3.486 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.666 4.941 -2.482 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.264 6.309 -1.223 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.958 4.760 -0.786 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.918 6.376 -3.799 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.281 4.544 -5.015 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.651 2.344 -1.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.615 1.759 -4.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.239 0.120 -1.644 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.852 -0.167 -3.481 1.00 0.00 H new ATOM 555 N ARG A 38 -2.901 8.015 -1.597 1.00 0.00 N ATOM 556 CA ARG A 38 -3.624 8.964 -0.759 1.00 0.00 C ATOM 557 C ARG A 38 -4.973 8.395 -0.331 1.00 0.00 C ATOM 558 O ARG A 38 -5.305 8.384 0.853 1.00 0.00 O ATOM 559 CB ARG A 38 -3.829 10.283 -1.506 1.00 0.00 C ATOM 560 CG ARG A 38 -4.935 11.148 -0.924 1.00 0.00 C ATOM 561 CD ARG A 38 -4.672 12.626 -1.164 1.00 0.00 C ATOM 562 NE ARG A 38 -5.855 13.442 -0.906 1.00 0.00 N ATOM 563 CZ ARG A 38 -6.816 13.647 -1.801 1.00 0.00 C ATOM 564 NH1 ARG A 38 -6.733 13.098 -3.005 1.00 0.00 N ATOM 565 NH2 ARG A 38 -7.862 14.402 -1.491 1.00 0.00 N ATOM 0 H ARG A 38 -2.432 8.433 -2.401 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.027 9.149 0.134 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.896 10.846 -1.495 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.059 10.068 -2.549 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.889 10.870 -1.372 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.019 10.962 0.147 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.856 12.958 -0.522 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.348 12.774 -2.194 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.949 13.879 0.011 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.930 12.517 -3.246 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.472 13.257 -3.690 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.929 14.825 -0.565 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.599 14.559 -2.178 1.00 0.00 H new ATOM 579 N ASN A 39 -5.746 7.923 -1.304 1.00 0.00 N ATOM 580 CA ASN A 39 -7.059 7.352 -1.028 1.00 0.00 C ATOM 581 C ASN A 39 -6.940 6.114 -0.144 1.00 0.00 C ATOM 582 O ASN A 39 -7.544 6.041 0.925 1.00 0.00 O ATOM 583 CB ASN A 39 -7.768 6.993 -2.335 1.00 0.00 C ATOM 584 CG ASN A 39 -6.808 6.480 -3.391 1.00 0.00 C ATOM 585 OD1 ASN A 39 -5.669 6.123 -3.089 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.265 6.440 -4.637 1.00 0.00 N ATOM 0 H ASN A 39 -5.486 7.925 -2.290 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.648 8.100 -0.497 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.526 6.235 -2.138 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.288 7.872 -2.717 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.665 6.103 -5.390 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.216 6.746 -4.841 1.00 0.00 H new ATOM 593 N GLY A 40 -6.156 5.142 -0.600 1.00 0.00 N ATOM 594 CA GLY A 40 -5.971 3.920 0.160 1.00 0.00 C ATOM 595 C GLY A 40 -6.490 2.697 -0.571 1.00 0.00 C ATOM 596 O GLY A 40 -6.913 1.724 0.054 1.00 0.00 O ATOM 0 H GLY A 40 -5.646 5.179 -1.482 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.911 3.787 0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.483 4.011 1.118 1.00 0.00 H new ATOM 600 N LEU A 41 -6.458 2.747 -1.898 1.00 0.00 N ATOM 601 CA LEU A 41 -6.930 1.635 -2.716 1.00 0.00 C ATOM 602 C LEU A 41 -5.872 0.541 -2.812 1.00 0.00 C ATOM 603 O LEU A 41 -6.082 -0.582 -2.356 1.00 0.00 O ATOM 604 CB LEU A 41 -7.300 2.128 -4.117 1.00 0.00 C ATOM 605 CG LEU A 41 -8.468 3.110 -4.196 1.00 0.00 C ATOM 606 CD1 LEU A 41 -8.572 3.704 -5.592 1.00 0.00 C ATOM 607 CD2 LEU A 41 -9.770 2.423 -3.809 1.00 0.00 C ATOM 0 H LEU A 41 -6.111 3.545 -2.430 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.816 1.216 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.423 2.602 -4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.538 1.262 -4.734 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.284 3.921 -3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.409 4.401 -5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.649 4.232 -5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.732 2.905 -6.316 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.591 3.138 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.959 1.593 -4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.693 2.046 -2.789 1.00 0.00 H new ATOM 619 N SER A 42 -4.732 0.879 -3.407 1.00 0.00 N ATOM 620 CA SER A 42 -3.640 -0.075 -3.564 1.00 0.00 C ATOM 621 C SER A 42 -3.355 -0.795 -2.249 1.00 0.00 C ATOM 622 O SER A 42 -3.123 -2.005 -2.229 1.00 0.00 O ATOM 623 CB SER A 42 -2.378 0.639 -4.051 1.00 0.00 C ATOM 624 OG SER A 42 -2.570 1.189 -5.343 1.00 0.00 O ATOM 0 H SER A 42 -4.541 1.806 -3.788 1.00 0.00 H new ATOM 0 HA SER A 42 -3.940 -0.815 -4.306 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.111 1.431 -3.351 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.544 -0.063 -4.071 1.00 0.00 H new ATOM 0 HG SER A 42 -2.016 1.991 -5.443 1.00 0.00 H new ATOM 630 N PHE A 43 -3.373 -0.044 -1.154 1.00 0.00 N ATOM 631 CA PHE A 43 -3.116 -0.609 0.166 1.00 0.00 C ATOM 632 C PHE A 43 -4.057 -1.776 0.451 1.00 0.00 C ATOM 633 O PHE A 43 -3.629 -2.835 0.911 1.00 0.00 O ATOM 634 CB PHE A 43 -3.275 0.465 1.244 1.00 0.00 C ATOM 635 CG PHE A 43 -2.067 1.344 1.398 1.00 0.00 C ATOM 636 CD1 PHE A 43 -0.835 0.799 1.723 1.00 0.00 C ATOM 637 CD2 PHE A 43 -2.163 2.714 1.217 1.00 0.00 C ATOM 638 CE1 PHE A 43 0.278 1.606 1.866 1.00 0.00 C ATOM 639 CE2 PHE A 43 -1.053 3.526 1.359 1.00 0.00 C ATOM 640 CZ PHE A 43 0.169 2.970 1.682 1.00 0.00 C ATOM 0 H PHE A 43 -3.563 0.958 -1.154 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.091 -0.980 0.182 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.138 1.086 1.002 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.487 -0.018 2.198 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.744 -0.268 1.866 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.116 3.153 0.962 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.232 1.170 2.122 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.142 4.593 1.218 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.038 3.601 1.791 1.00 0.00 H new ATOM 650 N CYS A 44 -5.341 -1.573 0.175 1.00 0.00 N ATOM 651 CA CYS A 44 -6.344 -2.607 0.402 1.00 0.00 C ATOM 652 C CYS A 44 -6.258 -3.692 -0.665 1.00 0.00 C ATOM 653 O CYS A 44 -6.469 -4.872 -0.384 1.00 0.00 O ATOM 654 CB CYS A 44 -7.745 -1.993 0.412 1.00 0.00 C ATOM 655 SG CYS A 44 -8.156 -1.114 1.937 1.00 0.00 S ATOM 0 H CYS A 44 -5.711 -0.702 -0.206 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.148 -3.063 1.373 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.833 -1.303 -0.427 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.478 -2.784 0.253 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.476 -0.008 1.997 1.00 0.00 H new ATOM 661 N ALA A 45 -5.949 -3.286 -1.892 1.00 0.00 N ATOM 662 CA ALA A 45 -5.835 -4.223 -3.002 1.00 0.00 C ATOM 663 C ALA A 45 -4.754 -5.265 -2.731 1.00 0.00 C ATOM 664 O ALA A 45 -4.986 -6.466 -2.878 1.00 0.00 O ATOM 665 CB ALA A 45 -5.540 -3.478 -4.295 1.00 0.00 C ATOM 0 H ALA A 45 -5.773 -2.313 -2.142 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.787 -4.743 -3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.458 -4.191 -5.115 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.348 -2.777 -4.504 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.602 -2.931 -4.194 1.00 0.00 H new ATOM 671 N ILE A 46 -3.575 -4.799 -2.337 1.00 0.00 N ATOM 672 CA ILE A 46 -2.459 -5.691 -2.046 1.00 0.00 C ATOM 673 C ILE A 46 -2.848 -6.735 -1.005 1.00 0.00 C ATOM 674 O ILE A 46 -2.828 -7.936 -1.277 1.00 0.00 O ATOM 675 CB ILE A 46 -1.231 -4.911 -1.540 1.00 0.00 C ATOM 676 CG1 ILE A 46 -0.795 -3.874 -2.578 1.00 0.00 C ATOM 677 CG2 ILE A 46 -0.090 -5.866 -1.226 1.00 0.00 C ATOM 678 CD1 ILE A 46 0.002 -2.731 -1.992 1.00 0.00 C ATOM 0 H ILE A 46 -3.367 -3.808 -2.212 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.202 -6.190 -2.980 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.503 -4.388 -0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.197 -4.368 -3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.680 -3.473 -3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.771 -5.300 -0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.406 -6.570 -0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.184 -6.414 -2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.277 -2.035 -2.785 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.600 -2.212 -1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.905 -3.120 -1.522 1.00 0.00 H new ATOM 690 N LEU A 47 -3.203 -6.270 0.188 1.00 0.00 N ATOM 691 CA LEU A 47 -3.598 -7.164 1.271 1.00 0.00 C ATOM 692 C LEU A 47 -4.675 -8.139 0.806 1.00 0.00 C ATOM 693 O LEU A 47 -4.655 -9.318 1.161 1.00 0.00 O ATOM 694 CB LEU A 47 -4.108 -6.355 2.465 1.00 0.00 C ATOM 695 CG LEU A 47 -4.409 -7.152 3.735 1.00 0.00 C ATOM 696 CD1 LEU A 47 -3.124 -7.687 4.347 1.00 0.00 C ATOM 697 CD2 LEU A 47 -5.162 -6.290 4.739 1.00 0.00 C ATOM 0 H LEU A 47 -3.225 -5.279 0.430 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.722 -7.737 1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.367 -5.593 2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.016 -5.833 2.164 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.040 -8.000 3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.358 -8.251 5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.624 -8.339 3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.467 -6.855 4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.368 -6.873 5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.556 -5.423 5.001 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.102 -5.956 4.299 1.00 0.00 H new ATOM 709 N HIS A 48 -5.613 -7.640 0.007 1.00 0.00 N ATOM 710 CA HIS A 48 -6.697 -8.468 -0.509 1.00 0.00 C ATOM 711 C HIS A 48 -6.153 -9.583 -1.398 1.00 0.00 C ATOM 712 O HIS A 48 -6.698 -10.687 -1.431 1.00 0.00 O ATOM 713 CB HIS A 48 -7.691 -7.613 -1.295 1.00 0.00 C ATOM 714 CG HIS A 48 -9.058 -8.218 -1.392 1.00 0.00 C ATOM 715 ND1 HIS A 48 -10.176 -8.001 -0.661 1.00 0.00 N flip ATOM 716 CD2 HIS A 48 -9.393 -9.173 -2.328 1.00 0.00 C flip ATOM 717 CE1 HIS A 48 -11.157 -8.819 -1.164 1.00 0.00 C flip ATOM 718 NE2 HIS A 48 -10.659 -9.516 -2.170 1.00 0.00 N flip ATOM 0 H HIS A 48 -5.644 -6.667 -0.297 1.00 0.00 H new ATOM 0 HA HIS A 48 -7.210 -8.921 0.339 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.769 -6.634 -0.822 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.302 -7.451 -2.300 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.725 -9.578 -3.074 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -12.171 -8.883 -0.797 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -11.166 -10.202 -2.729 1.00 0.00 H new ATOM 727 N HIS A 49 -5.076 -9.286 -2.119 1.00 0.00 N ATOM 728 CA HIS A 49 -4.459 -10.263 -3.009 1.00 0.00 C ATOM 729 C HIS A 49 -4.131 -11.550 -2.258 1.00 0.00 C ATOM 730 O HIS A 49 -4.518 -12.641 -2.678 1.00 0.00 O ATOM 731 CB HIS A 49 -3.189 -9.684 -3.633 1.00 0.00 C ATOM 732 CG HIS A 49 -2.701 -10.455 -4.821 1.00 0.00 C ATOM 733 ND1 HIS A 49 -3.527 -10.856 -5.849 1.00 0.00 N ATOM 734 CD2 HIS A 49 -1.462 -10.896 -5.142 1.00 0.00 C ATOM 735 CE1 HIS A 49 -2.819 -11.512 -6.751 1.00 0.00 C ATOM 736 NE2 HIS A 49 -1.562 -11.550 -6.346 1.00 0.00 N ATOM 0 H HIS A 49 -4.613 -8.377 -2.104 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.170 -10.497 -3.802 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.378 -8.653 -3.932 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.403 -9.658 -2.879 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.563 -10.759 -4.560 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.202 -11.944 -7.664 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.791 -11.993 -6.846 1.00 0.00 H new ATOM 745 N PHE A 50 -3.414 -11.415 -1.147 1.00 0.00 N ATOM 746 CA PHE A 50 -3.032 -12.567 -0.339 1.00 0.00 C ATOM 747 C PHE A 50 -4.263 -13.246 0.255 1.00 0.00 C ATOM 748 O PHE A 50 -4.395 -14.469 0.205 1.00 0.00 O ATOM 749 CB PHE A 50 -2.081 -12.139 0.780 1.00 0.00 C ATOM 750 CG PHE A 50 -0.913 -11.328 0.297 1.00 0.00 C ATOM 751 CD1 PHE A 50 0.256 -11.949 -0.114 1.00 0.00 C ATOM 752 CD2 PHE A 50 -0.983 -9.945 0.253 1.00 0.00 C ATOM 753 CE1 PHE A 50 1.333 -11.206 -0.560 1.00 0.00 C ATOM 754 CE2 PHE A 50 0.090 -9.197 -0.192 1.00 0.00 C ATOM 755 CZ PHE A 50 1.250 -9.828 -0.598 1.00 0.00 C ATOM 0 H PHE A 50 -3.086 -10.519 -0.786 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.522 -13.281 -0.986 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.637 -11.558 1.516 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.710 -13.028 1.290 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.326 -13.026 -0.085 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.887 -9.446 0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.238 -11.702 -0.878 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.022 -8.120 -0.222 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.090 -9.245 -0.944 1.00 0.00 H new ATOM 765 N ARG A 51 -5.159 -12.444 0.819 1.00 0.00 N ATOM 766 CA ARG A 51 -6.378 -12.967 1.426 1.00 0.00 C ATOM 767 C ARG A 51 -7.552 -12.020 1.190 1.00 0.00 C ATOM 768 O ARG A 51 -7.665 -10.965 1.814 1.00 0.00 O ATOM 769 CB ARG A 51 -6.175 -13.181 2.927 1.00 0.00 C ATOM 770 CG ARG A 51 -7.228 -14.074 3.562 1.00 0.00 C ATOM 771 CD ARG A 51 -6.914 -15.546 3.345 1.00 0.00 C ATOM 772 NE ARG A 51 -6.054 -16.083 4.396 1.00 0.00 N ATOM 773 CZ ARG A 51 -5.278 -17.150 4.238 1.00 0.00 C ATOM 774 NH1 ARG A 51 -5.255 -17.790 3.077 1.00 0.00 N ATOM 775 NH2 ARG A 51 -4.523 -17.578 5.242 1.00 0.00 N ATOM 0 H ARG A 51 -5.065 -11.430 0.869 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.606 -13.924 0.957 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.191 -13.619 3.093 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.182 -12.213 3.428 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.286 -13.867 4.631 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.206 -13.843 3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.844 -16.114 3.312 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.428 -15.674 2.378 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.049 -15.613 5.301 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.834 -17.463 2.303 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.659 -18.609 2.958 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.538 -17.088 6.136 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.928 -18.397 5.119 1.00 0.00 H new ATOM 789 N PRO A 52 -8.446 -12.405 0.268 1.00 0.00 N ATOM 790 CA PRO A 52 -9.627 -11.605 -0.071 1.00 0.00 C ATOM 791 C PRO A 52 -10.653 -11.579 1.056 1.00 0.00 C ATOM 792 O PRO A 52 -11.705 -10.950 0.937 1.00 0.00 O ATOM 793 CB PRO A 52 -10.199 -12.319 -1.299 1.00 0.00 C ATOM 794 CG PRO A 52 -9.724 -13.725 -1.174 1.00 0.00 C ATOM 795 CD PRO A 52 -8.375 -13.650 -0.514 1.00 0.00 C ATOM 0 HA PRO A 52 -9.374 -10.560 -0.248 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.288 -12.269 -1.315 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.845 -11.862 -2.223 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.417 -14.319 -0.579 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.654 -14.202 -2.152 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.191 -14.515 0.123 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.570 -13.618 -1.248 1.00 0.00 H new ATOM 803 N ASP A 53 -10.342 -12.267 2.149 1.00 0.00 N ATOM 804 CA ASP A 53 -11.237 -12.322 3.299 1.00 0.00 C ATOM 805 C ASP A 53 -10.678 -11.508 4.462 1.00 0.00 C ATOM 806 O ASP A 53 -10.939 -11.810 5.628 1.00 0.00 O ATOM 807 CB ASP A 53 -11.455 -13.772 3.734 1.00 0.00 C ATOM 808 CG ASP A 53 -12.715 -13.945 4.560 1.00 0.00 C ATOM 809 OD1 ASP A 53 -13.168 -12.952 5.167 1.00 0.00 O ATOM 810 OD2 ASP A 53 -13.247 -15.074 4.599 1.00 0.00 O ATOM 0 H ASP A 53 -9.477 -12.795 2.263 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.194 -11.892 3.004 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.513 -14.409 2.851 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.595 -14.108 4.314 1.00 0.00 H new ATOM 815 N LEU A 54 -9.907 -10.476 4.139 1.00 0.00 N ATOM 816 CA LEU A 54 -9.309 -9.618 5.156 1.00 0.00 C ATOM 817 C LEU A 54 -9.868 -8.202 5.072 1.00 0.00 C ATOM 818 O LEU A 54 -10.104 -7.555 6.093 1.00 0.00 O ATOM 819 CB LEU A 54 -7.788 -9.589 4.998 1.00 0.00 C ATOM 820 CG LEU A 54 -7.017 -10.698 5.713 1.00 0.00 C ATOM 821 CD1 LEU A 54 -5.539 -10.636 5.357 1.00 0.00 C ATOM 822 CD2 LEU A 54 -7.209 -10.597 7.219 1.00 0.00 C ATOM 0 H LEU A 54 -9.681 -10.213 3.180 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.558 -10.029 6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.552 -9.638 3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.423 -8.628 5.362 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.410 -11.659 5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.006 -11.433 5.875 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.419 -10.759 4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.132 -9.671 5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.653 -11.395 7.711 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.844 -9.631 7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.268 -10.693 7.458 1.00 0.00 H new ATOM 834 N ILE A 55 -10.080 -7.727 3.849 1.00 0.00 N ATOM 835 CA ILE A 55 -10.615 -6.389 3.632 1.00 0.00 C ATOM 836 C ILE A 55 -11.930 -6.440 2.861 1.00 0.00 C ATOM 837 O ILE A 55 -12.368 -7.508 2.431 1.00 0.00 O ATOM 838 CB ILE A 55 -9.618 -5.501 2.864 1.00 0.00 C ATOM 839 CG1 ILE A 55 -8.182 -5.948 3.147 1.00 0.00 C ATOM 840 CG2 ILE A 55 -9.808 -4.040 3.243 1.00 0.00 C ATOM 841 CD1 ILE A 55 -7.693 -7.035 2.215 1.00 0.00 C ATOM 0 H ILE A 55 -9.889 -8.249 2.994 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.790 -5.957 4.617 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.808 -5.606 1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.519 -5.086 3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.117 -6.305 4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.096 -3.426 2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.823 -3.729 2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.641 -3.917 4.313 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.668 -7.302 2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.332 -7.912 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.725 -6.674 1.187 1.00 0.00 H new ATOM 853 N ASP A 56 -12.555 -5.281 2.689 1.00 0.00 N ATOM 854 CA ASP A 56 -13.818 -5.193 1.967 1.00 0.00 C ATOM 855 C ASP A 56 -13.619 -4.547 0.599 1.00 0.00 C ATOM 856 O ASP A 56 -14.552 -3.983 0.026 1.00 0.00 O ATOM 857 CB ASP A 56 -14.839 -4.393 2.778 1.00 0.00 C ATOM 858 CG ASP A 56 -15.105 -5.006 4.139 1.00 0.00 C ATOM 859 OD1 ASP A 56 -15.054 -6.249 4.251 1.00 0.00 O ATOM 860 OD2 ASP A 56 -15.364 -4.242 5.093 1.00 0.00 O ATOM 0 H ASP A 56 -12.207 -4.389 3.040 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.195 -6.205 1.820 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.478 -3.373 2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.774 -4.332 2.221 1.00 0.00 H new ATOM 865 N TYR A 57 -12.398 -4.633 0.083 1.00 0.00 N ATOM 866 CA TYR A 57 -12.076 -4.055 -1.216 1.00 0.00 C ATOM 867 C TYR A 57 -13.088 -4.488 -2.272 1.00 0.00 C ATOM 868 O TYR A 57 -13.268 -3.818 -3.290 1.00 0.00 O ATOM 869 CB TYR A 57 -10.667 -4.467 -1.646 1.00 0.00 C ATOM 870 CG TYR A 57 -10.146 -3.693 -2.836 1.00 0.00 C ATOM 871 CD1 TYR A 57 -10.669 -3.900 -4.107 1.00 0.00 C ATOM 872 CD2 TYR A 57 -9.132 -2.755 -2.690 1.00 0.00 C ATOM 873 CE1 TYR A 57 -10.195 -3.196 -5.197 1.00 0.00 C ATOM 874 CE2 TYR A 57 -8.653 -2.045 -3.774 1.00 0.00 C ATOM 875 CZ TYR A 57 -9.188 -2.270 -5.025 1.00 0.00 C ATOM 876 OH TYR A 57 -8.714 -1.566 -6.109 1.00 0.00 O ATOM 0 H TYR A 57 -11.615 -5.097 0.544 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.118 -2.970 -1.122 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -9.985 -4.329 -0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.666 -5.530 -1.886 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -11.459 -4.623 -4.245 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.711 -2.578 -1.712 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.611 -3.370 -6.178 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.865 -1.319 -3.643 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.190 -0.799 -5.797 1.00 0.00 H new ATOM 886 N LYS A 58 -13.750 -5.613 -2.022 1.00 0.00 N ATOM 887 CA LYS A 58 -14.747 -6.137 -2.948 1.00 0.00 C ATOM 888 C LYS A 58 -15.851 -5.114 -3.195 1.00 0.00 C ATOM 889 O LYS A 58 -16.434 -5.065 -4.278 1.00 0.00 O ATOM 890 CB LYS A 58 -15.350 -7.432 -2.401 1.00 0.00 C ATOM 891 CG LYS A 58 -16.183 -7.233 -1.146 1.00 0.00 C ATOM 892 CD LYS A 58 -16.185 -8.478 -0.275 1.00 0.00 C ATOM 893 CE LYS A 58 -17.185 -8.359 0.865 1.00 0.00 C ATOM 894 NZ LYS A 58 -17.155 -9.551 1.756 1.00 0.00 N ATOM 0 H LYS A 58 -13.614 -6.180 -1.185 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.251 -6.346 -3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.972 -7.887 -3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.545 -8.135 -2.185 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.790 -6.390 -0.577 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -17.206 -6.980 -1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.428 -9.349 -0.884 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.187 -8.641 0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.966 -7.464 1.448 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.188 -8.236 0.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.850 -9.431 2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.389 -10.402 1.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.205 -9.654 2.166 1.00 0.00 H new ATOM 908 N SER A 59 -16.132 -4.298 -2.184 1.00 0.00 N ATOM 909 CA SER A 59 -17.168 -3.277 -2.291 1.00 0.00 C ATOM 910 C SER A 59 -16.635 -1.915 -1.857 1.00 0.00 C ATOM 911 O SER A 59 -17.363 -1.106 -1.280 1.00 0.00 O ATOM 912 CB SER A 59 -18.379 -3.659 -1.438 1.00 0.00 C ATOM 913 OG SER A 59 -19.467 -2.782 -1.675 1.00 0.00 O ATOM 0 H SER A 59 -15.657 -4.324 -1.282 1.00 0.00 H new ATOM 0 HA SER A 59 -17.474 -3.212 -3.335 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.678 -4.683 -1.663 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.108 -3.630 -0.383 1.00 0.00 H new ATOM 0 HG SER A 59 -19.159 -1.854 -1.612 1.00 0.00 H new ATOM 919 N LEU A 60 -15.361 -1.668 -2.140 1.00 0.00 N ATOM 920 CA LEU A 60 -14.729 -0.403 -1.780 1.00 0.00 C ATOM 921 C LEU A 60 -14.776 0.580 -2.944 1.00 0.00 C ATOM 922 O LEU A 60 -15.231 0.243 -4.036 1.00 0.00 O ATOM 923 CB LEU A 60 -13.278 -0.639 -1.355 1.00 0.00 C ATOM 924 CG LEU A 60 -13.068 -1.100 0.088 1.00 0.00 C ATOM 925 CD1 LEU A 60 -11.600 -0.995 0.473 1.00 0.00 C ATOM 926 CD2 LEU A 60 -13.930 -0.283 1.040 1.00 0.00 C ATOM 0 H LEU A 60 -14.745 -2.326 -2.617 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.281 0.026 -0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.842 -1.384 -2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.722 0.286 -1.504 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.369 -2.145 0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.469 -1.327 1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.004 -1.623 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.273 0.041 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.768 -0.625 2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.660 0.770 0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.981 -0.408 0.778 1.00 0.00 H new ATOM 938 N ASN A 61 -14.300 1.798 -2.704 1.00 0.00 N ATOM 939 CA ASN A 61 -14.287 2.831 -3.734 1.00 0.00 C ATOM 940 C ASN A 61 -13.309 3.945 -3.374 1.00 0.00 C ATOM 941 O ASN A 61 -12.908 4.104 -2.221 1.00 0.00 O ATOM 942 CB ASN A 61 -15.691 3.409 -3.923 1.00 0.00 C ATOM 943 CG ASN A 61 -16.511 2.621 -4.926 1.00 0.00 C ATOM 944 OD1 ASN A 61 -15.920 2.339 -6.081 1.00 0.00 O flip ATOM 945 ND2 ASN A 61 -17.661 2.270 -4.665 1.00 0.00 N flip ATOM 0 H ASN A 61 -13.918 2.094 -1.806 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.961 2.374 -4.669 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -16.208 3.420 -2.964 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.613 4.444 -4.255 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -18.075 2.509 -3.764 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -18.200 1.740 -5.350 1.00 0.00 H new ATOM 952 N PRO A 62 -12.917 4.736 -4.383 1.00 0.00 N ATOM 953 CA PRO A 62 -11.982 5.851 -4.198 1.00 0.00 C ATOM 954 C PRO A 62 -12.600 7.000 -3.408 1.00 0.00 C ATOM 955 O PRO A 62 -11.975 8.043 -3.223 1.00 0.00 O ATOM 956 CB PRO A 62 -11.670 6.293 -5.629 1.00 0.00 C ATOM 957 CG PRO A 62 -12.857 5.870 -6.424 1.00 0.00 C ATOM 958 CD PRO A 62 -13.355 4.604 -5.783 1.00 0.00 C ATOM 0 HA PRO A 62 -11.102 5.555 -3.627 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.519 7.371 -5.686 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.758 5.823 -5.998 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.627 6.641 -6.415 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.588 5.700 -7.467 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.439 4.515 -5.858 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.929 3.719 -6.256 1.00 0.00 H new ATOM 966 N GLN A 63 -13.829 6.799 -2.943 1.00 0.00 N ATOM 967 CA GLN A 63 -14.530 7.820 -2.173 1.00 0.00 C ATOM 968 C GLN A 63 -14.055 7.830 -0.724 1.00 0.00 C ATOM 969 O GLN A 63 -14.185 8.835 -0.025 1.00 0.00 O ATOM 970 CB GLN A 63 -16.040 7.581 -2.225 1.00 0.00 C ATOM 971 CG GLN A 63 -16.442 6.154 -1.890 1.00 0.00 C ATOM 972 CD GLN A 63 -15.920 5.702 -0.540 1.00 0.00 C ATOM 973 OE1 GLN A 63 -15.884 6.478 0.415 1.00 0.00 O ATOM 974 NE2 GLN A 63 -15.512 4.441 -0.455 1.00 0.00 N ATOM 0 H GLN A 63 -14.359 5.939 -3.086 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.307 8.791 -2.616 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.531 8.261 -1.529 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.404 7.828 -3.222 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.529 6.075 -1.900 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.067 5.484 -2.663 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.560 3.833 -1.273 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.151 4.080 0.428 1.00 0.00 H new ATOM 983 N ASP A 64 -13.504 6.706 -0.279 1.00 0.00 N ATOM 984 CA ASP A 64 -13.009 6.585 1.087 1.00 0.00 C ATOM 985 C ASP A 64 -11.496 6.779 1.136 1.00 0.00 C ATOM 986 O ASP A 64 -10.740 5.984 0.577 1.00 0.00 O ATOM 987 CB ASP A 64 -13.379 5.220 1.668 1.00 0.00 C ATOM 988 CG ASP A 64 -14.749 5.219 2.317 1.00 0.00 C ATOM 989 OD1 ASP A 64 -15.183 6.291 2.790 1.00 0.00 O ATOM 990 OD2 ASP A 64 -15.388 4.147 2.352 1.00 0.00 O ATOM 0 H ASP A 64 -13.389 5.865 -0.845 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.477 7.365 1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.355 4.472 0.875 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.631 4.927 2.405 1.00 0.00 H new ATOM 995 N ILE A 65 -11.063 7.841 1.807 1.00 0.00 N ATOM 996 CA ILE A 65 -9.641 8.140 1.928 1.00 0.00 C ATOM 997 C ILE A 65 -9.114 7.756 3.306 1.00 0.00 C ATOM 998 O ILE A 65 -8.094 7.078 3.427 1.00 0.00 O ATOM 999 CB ILE A 65 -9.356 9.632 1.679 1.00 0.00 C ATOM 1000 CG1 ILE A 65 -9.820 10.036 0.278 1.00 0.00 C ATOM 1001 CG2 ILE A 65 -7.873 9.925 1.856 1.00 0.00 C ATOM 1002 CD1 ILE A 65 -9.671 11.515 -0.005 1.00 0.00 C ATOM 0 H ILE A 65 -11.676 8.509 2.275 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.129 7.550 1.168 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.913 10.219 2.409 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -9.249 9.474 -0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -10.866 9.754 0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.687 10.984 1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.571 9.671 2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.297 9.331 1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -10.019 11.729 -1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -10.264 12.084 0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.622 11.799 0.085 1.00 0.00 H new ATOM 1014 N LYS A 66 -9.819 8.192 4.345 1.00 0.00 N ATOM 1015 CA LYS A 66 -9.425 7.893 5.717 1.00 0.00 C ATOM 1016 C LYS A 66 -9.685 6.427 6.050 1.00 0.00 C ATOM 1017 O LYS A 66 -8.859 5.769 6.681 1.00 0.00 O ATOM 1018 CB LYS A 66 -10.186 8.791 6.695 1.00 0.00 C ATOM 1019 CG LYS A 66 -9.605 8.791 8.099 1.00 0.00 C ATOM 1020 CD LYS A 66 -10.403 9.685 9.033 1.00 0.00 C ATOM 1021 CE LYS A 66 -10.368 11.137 8.580 1.00 0.00 C ATOM 1022 NZ LYS A 66 -11.403 11.421 7.547 1.00 0.00 N ATOM 0 H LYS A 66 -10.666 8.754 4.263 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.356 8.086 5.812 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.188 9.811 6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.225 8.465 6.741 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.594 7.773 8.489 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.570 9.130 8.065 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.436 9.340 9.074 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.001 9.608 10.043 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.524 11.789 9.439 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.381 11.369 8.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.963 11.907 6.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.826 10.527 7.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.143 12.028 7.955 1.00 0.00 H new ATOM 1036 N GLU A 67 -10.837 5.922 5.619 1.00 0.00 N ATOM 1037 CA GLU A 67 -11.204 4.534 5.872 1.00 0.00 C ATOM 1038 C GLU A 67 -10.273 3.581 5.128 1.00 0.00 C ATOM 1039 O GLU A 67 -9.527 2.820 5.742 1.00 0.00 O ATOM 1040 CB GLU A 67 -12.653 4.281 5.451 1.00 0.00 C ATOM 1041 CG GLU A 67 -13.357 3.230 6.292 1.00 0.00 C ATOM 1042 CD GLU A 67 -14.059 3.822 7.499 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -13.386 4.044 8.527 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -15.282 4.064 7.415 1.00 0.00 O ATOM 0 H GLU A 67 -11.531 6.453 5.093 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.107 4.349 6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.209 5.216 5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.670 3.969 4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.085 2.704 5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.629 2.490 6.626 1.00 0.00 H new ATOM 1051 N ASN A 68 -10.325 3.630 3.800 1.00 0.00 N ATOM 1052 CA ASN A 68 -9.487 2.770 2.971 1.00 0.00 C ATOM 1053 C ASN A 68 -8.129 2.539 3.626 1.00 0.00 C ATOM 1054 O ASN A 68 -7.631 1.414 3.665 1.00 0.00 O ATOM 1055 CB ASN A 68 -9.299 3.391 1.585 1.00 0.00 C ATOM 1056 CG ASN A 68 -10.442 3.064 0.645 1.00 0.00 C ATOM 1057 OD1 ASN A 68 -11.485 2.564 1.068 1.00 0.00 O ATOM 1058 ND2 ASN A 68 -10.251 3.344 -0.639 1.00 0.00 N ATOM 0 H ASN A 68 -10.937 4.255 3.276 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.988 1.807 2.866 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.212 4.473 1.684 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.364 3.034 1.154 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.985 3.145 -1.319 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.371 3.758 -0.945 1.00 0.00 H new ATOM 1065 N ASN A 69 -7.536 3.611 4.141 1.00 0.00 N ATOM 1066 CA ASN A 69 -6.235 3.525 4.795 1.00 0.00 C ATOM 1067 C ASN A 69 -6.346 2.801 6.133 1.00 0.00 C ATOM 1068 O ASN A 69 -5.522 1.946 6.460 1.00 0.00 O ATOM 1069 CB ASN A 69 -5.653 4.924 5.006 1.00 0.00 C ATOM 1070 CG ASN A 69 -4.912 5.432 3.784 1.00 0.00 C ATOM 1071 OD1 ASN A 69 -3.683 5.492 3.771 1.00 0.00 O ATOM 1072 ND2 ASN A 69 -5.659 5.801 2.750 1.00 0.00 N ATOM 0 H ASN A 69 -7.935 4.549 4.118 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.568 2.955 4.148 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.458 5.616 5.253 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.974 4.907 5.859 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.216 6.151 1.900 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.675 5.734 2.805 1.00 0.00 H new ATOM 1079 N LYS A 70 -7.371 3.148 6.904 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.592 2.531 8.206 1.00 0.00 C ATOM 1081 C LYS A 70 -7.633 1.011 8.089 1.00 0.00 C ATOM 1082 O LYS A 70 -6.887 0.305 8.767 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.898 3.041 8.820 1.00 0.00 C ATOM 1084 CG LYS A 70 -9.242 2.390 10.148 1.00 0.00 C ATOM 1085 CD LYS A 70 -8.625 3.144 11.315 1.00 0.00 C ATOM 1086 CE LYS A 70 -8.739 2.356 12.610 1.00 0.00 C ATOM 1087 NZ LYS A 70 -10.155 2.205 13.046 1.00 0.00 N ATOM 0 H LYS A 70 -8.062 3.854 6.649 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.760 2.805 8.855 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.826 4.119 8.962 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.713 2.866 8.117 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.325 2.355 10.268 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.888 1.359 10.152 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.575 3.348 11.103 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.121 4.108 11.430 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.294 1.370 12.475 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.170 2.859 13.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.189 1.662 13.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.573 3.145 13.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.693 1.703 12.311 1.00 0.00 H new ATOM 1101 N LYS A 71 -8.509 0.513 7.223 1.00 0.00 N ATOM 1102 CA LYS A 71 -8.647 -0.924 7.013 1.00 0.00 C ATOM 1103 C LYS A 71 -7.279 -1.589 6.891 1.00 0.00 C ATOM 1104 O LYS A 71 -6.935 -2.471 7.676 1.00 0.00 O ATOM 1105 CB LYS A 71 -9.474 -1.200 5.756 1.00 0.00 C ATOM 1106 CG LYS A 71 -10.974 -1.152 5.992 1.00 0.00 C ATOM 1107 CD LYS A 71 -11.744 -1.130 4.682 1.00 0.00 C ATOM 1108 CE LYS A 71 -11.631 0.221 3.992 1.00 0.00 C ATOM 1109 NZ LYS A 71 -12.756 1.126 4.356 1.00 0.00 N ATOM 0 H LYS A 71 -9.135 1.084 6.655 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.161 -1.345 7.877 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.211 -0.469 4.991 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.208 -2.182 5.364 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.279 -2.018 6.580 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.223 -0.266 6.577 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.364 -1.910 4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.793 -1.356 4.872 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.685 0.690 4.264 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.616 0.077 2.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.442 2.115 4.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.552 0.970 3.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.061 0.926 5.330 1.00 0.00 H new ATOM 1123 N ALA A 72 -6.503 -1.158 5.902 1.00 0.00 N ATOM 1124 CA ALA A 72 -5.172 -1.709 5.679 1.00 0.00 C ATOM 1125 C ALA A 72 -4.393 -1.808 6.987 1.00 0.00 C ATOM 1126 O ALA A 72 -4.181 -2.901 7.513 1.00 0.00 O ATOM 1127 CB ALA A 72 -4.411 -0.860 4.672 1.00 0.00 C ATOM 0 H ALA A 72 -6.773 -0.429 5.242 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.285 -2.716 5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.419 -1.283 4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.952 -0.845 3.726 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.316 0.157 5.052 1.00 0.00 H new ATOM 1133 N TYR A 73 -3.970 -0.661 7.505 1.00 0.00 N ATOM 1134 CA TYR A 73 -3.211 -0.619 8.750 1.00 0.00 C ATOM 1135 C TYR A 73 -3.671 -1.715 9.705 1.00 0.00 C ATOM 1136 O TYR A 73 -2.863 -2.502 10.200 1.00 0.00 O ATOM 1137 CB TYR A 73 -3.361 0.750 9.417 1.00 0.00 C ATOM 1138 CG TYR A 73 -3.021 1.908 8.506 1.00 0.00 C ATOM 1139 CD1 TYR A 73 -1.934 1.842 7.642 1.00 0.00 C ATOM 1140 CD2 TYR A 73 -3.785 3.068 8.509 1.00 0.00 C ATOM 1141 CE1 TYR A 73 -1.619 2.897 6.809 1.00 0.00 C ATOM 1142 CE2 TYR A 73 -3.478 4.128 7.677 1.00 0.00 C ATOM 1143 CZ TYR A 73 -2.394 4.038 6.829 1.00 0.00 C ATOM 1144 OH TYR A 73 -2.085 5.092 6.001 1.00 0.00 O ATOM 0 H TYR A 73 -4.139 0.252 7.083 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.161 -0.787 8.512 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.387 0.864 9.768 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.718 0.789 10.296 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.325 0.950 7.622 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.634 3.143 9.173 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.770 2.829 6.145 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.084 5.022 7.691 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.721 5.121 5.256 1.00 0.00 H new ATOM 1154 N ASP A 74 -4.974 -1.761 9.960 1.00 0.00 N ATOM 1155 CA ASP A 74 -5.544 -2.761 10.855 1.00 0.00 C ATOM 1156 C ASP A 74 -5.054 -4.159 10.489 1.00 0.00 C ATOM 1157 O ASP A 74 -4.684 -4.946 11.359 1.00 0.00 O ATOM 1158 CB ASP A 74 -7.072 -2.712 10.803 1.00 0.00 C ATOM 1159 CG ASP A 74 -7.656 -1.762 11.830 1.00 0.00 C ATOM 1160 OD1 ASP A 74 -7.011 -0.733 12.120 1.00 0.00 O ATOM 1161 OD2 ASP A 74 -8.758 -2.048 12.344 1.00 0.00 O ATOM 0 H ASP A 74 -5.656 -1.117 9.559 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.216 -2.534 11.870 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.389 -2.405 9.806 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.471 -3.713 10.970 1.00 0.00 H new ATOM 1166 N GLY A 75 -5.057 -4.462 9.194 1.00 0.00 N ATOM 1167 CA GLY A 75 -4.613 -5.765 8.736 1.00 0.00 C ATOM 1168 C GLY A 75 -3.102 -5.873 8.673 1.00 0.00 C ATOM 1169 O GLY A 75 -2.513 -6.786 9.252 1.00 0.00 O ATOM 0 H GLY A 75 -5.359 -3.828 8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.002 -6.534 9.404 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.030 -5.961 7.748 1.00 0.00 H new ATOM 1173 N PHE A 76 -2.473 -4.940 7.966 1.00 0.00 N ATOM 1174 CA PHE A 76 -1.021 -4.936 7.827 1.00 0.00 C ATOM 1175 C PHE A 76 -0.344 -5.076 9.187 1.00 0.00 C ATOM 1176 O PHE A 76 0.514 -5.937 9.380 1.00 0.00 O ATOM 1177 CB PHE A 76 -0.557 -3.648 7.143 1.00 0.00 C ATOM 1178 CG PHE A 76 -0.880 -3.598 5.678 1.00 0.00 C ATOM 1179 CD1 PHE A 76 -0.595 -4.675 4.854 1.00 0.00 C ATOM 1180 CD2 PHE A 76 -1.468 -2.472 5.123 1.00 0.00 C ATOM 1181 CE1 PHE A 76 -0.891 -4.632 3.505 1.00 0.00 C ATOM 1182 CE2 PHE A 76 -1.768 -2.424 3.775 1.00 0.00 C ATOM 1183 CZ PHE A 76 -1.478 -3.504 2.964 1.00 0.00 C ATOM 0 H PHE A 76 -2.945 -4.177 7.481 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.737 -5.789 7.211 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.021 -2.795 7.639 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.520 -3.545 7.273 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.136 -5.559 5.271 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.694 -1.623 5.751 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.664 -5.479 2.874 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.229 -1.542 3.355 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.709 -3.467 1.910 1.00 0.00 H new ATOM 1193 N ALA A 77 -0.736 -4.222 10.127 1.00 0.00 N ATOM 1194 CA ALA A 77 -0.169 -4.251 11.470 1.00 0.00 C ATOM 1195 C ALA A 77 -0.581 -5.517 12.213 1.00 0.00 C ATOM 1196 O ALA A 77 0.083 -5.935 13.161 1.00 0.00 O ATOM 1197 CB ALA A 77 -0.595 -3.016 12.249 1.00 0.00 C ATOM 0 H ALA A 77 -1.444 -3.502 9.983 1.00 0.00 H new ATOM 0 HA ALA A 77 0.917 -4.253 11.379 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.165 -3.051 13.250 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.244 -2.122 11.734 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.682 -2.989 12.322 1.00 0.00 H new ATOM 1203 N SER A 78 -1.681 -6.122 11.777 1.00 0.00 N ATOM 1204 CA SER A 78 -2.184 -7.338 12.404 1.00 0.00 C ATOM 1205 C SER A 78 -1.099 -8.409 12.461 1.00 0.00 C ATOM 1206 O SER A 78 -0.918 -9.071 13.484 1.00 0.00 O ATOM 1207 CB SER A 78 -3.399 -7.867 11.639 1.00 0.00 C ATOM 1208 OG SER A 78 -4.103 -8.830 12.403 1.00 0.00 O ATOM 0 H SER A 78 -2.241 -5.790 10.992 1.00 0.00 H new ATOM 0 HA SER A 78 -2.483 -7.094 13.423 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.064 -7.040 11.389 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.075 -8.311 10.698 1.00 0.00 H new ATOM 0 HG SER A 78 -4.876 -9.151 11.893 1.00 0.00 H new ATOM 1214 N ILE A 79 -0.380 -8.573 11.356 1.00 0.00 N ATOM 1215 CA ILE A 79 0.688 -9.562 11.279 1.00 0.00 C ATOM 1216 C ILE A 79 1.932 -9.087 12.022 1.00 0.00 C ATOM 1217 O ILE A 79 2.619 -9.874 12.672 1.00 0.00 O ATOM 1218 CB ILE A 79 1.064 -9.873 9.819 1.00 0.00 C ATOM 1219 CG1 ILE A 79 1.272 -8.576 9.035 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.013 -10.726 9.165 1.00 0.00 C ATOM 1221 CD1 ILE A 79 1.885 -8.787 7.668 1.00 0.00 C ATOM 0 H ILE A 79 -0.518 -8.034 10.501 1.00 0.00 H new ATOM 0 HA ILE A 79 0.311 -10.470 11.750 1.00 0.00 H new ATOM 0 HB ILE A 79 1.999 -10.433 9.812 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.312 -8.073 8.920 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.913 -7.911 9.613 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.267 -10.938 8.133 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.117 -11.663 9.712 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.962 -10.189 9.181 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.003 -7.825 7.170 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.860 -9.262 7.776 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.234 -9.427 7.072 1.00 0.00 H new ATOM 1233 N GLY A 80 2.215 -7.791 11.923 1.00 0.00 N ATOM 1234 CA GLY A 80 3.375 -7.232 12.592 1.00 0.00 C ATOM 1235 C GLY A 80 4.026 -6.121 11.793 1.00 0.00 C ATOM 1236 O GLY A 80 5.245 -5.954 11.829 1.00 0.00 O ATOM 0 H GLY A 80 1.662 -7.119 11.392 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.078 -6.847 13.568 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.104 -8.023 12.770 1.00 0.00 H new ATOM 1240 N ILE A 81 3.212 -5.361 11.068 1.00 0.00 N ATOM 1241 CA ILE A 81 3.717 -4.261 10.256 1.00 0.00 C ATOM 1242 C ILE A 81 3.403 -2.914 10.899 1.00 0.00 C ATOM 1243 O ILE A 81 2.302 -2.386 10.751 1.00 0.00 O ATOM 1244 CB ILE A 81 3.121 -4.291 8.836 1.00 0.00 C ATOM 1245 CG1 ILE A 81 3.454 -5.615 8.147 1.00 0.00 C ATOM 1246 CG2 ILE A 81 3.641 -3.117 8.019 1.00 0.00 C ATOM 1247 CD1 ILE A 81 2.845 -5.750 6.768 1.00 0.00 C ATOM 0 H ILE A 81 2.201 -5.487 11.026 1.00 0.00 H new ATOM 0 HA ILE A 81 4.798 -4.386 10.191 1.00 0.00 H new ATOM 0 HB ILE A 81 2.037 -4.205 8.911 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.537 -5.712 8.068 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.105 -6.438 8.771 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.211 -3.152 7.018 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.358 -2.183 8.504 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.727 -3.175 7.950 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.123 -6.713 6.340 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.759 -5.686 6.842 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.213 -4.948 6.128 1.00 0.00 H new ATOM 1259 N SER A 82 4.381 -2.364 11.611 1.00 0.00 N ATOM 1260 CA SER A 82 4.209 -1.079 12.279 1.00 0.00 C ATOM 1261 C SER A 82 3.532 -0.072 11.354 1.00 0.00 C ATOM 1262 O SER A 82 3.748 -0.084 10.142 1.00 0.00 O ATOM 1263 CB SER A 82 5.562 -0.535 12.740 1.00 0.00 C ATOM 1264 OG SER A 82 5.449 0.807 13.183 1.00 0.00 O ATOM 0 H SER A 82 5.300 -2.787 11.740 1.00 0.00 H new ATOM 0 HA SER A 82 3.571 -1.233 13.150 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.951 -1.156 13.547 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.278 -0.591 11.920 1.00 0.00 H new ATOM 0 HG SER A 82 6.327 1.131 13.474 1.00 0.00 H new ATOM 1270 N ARG A 83 2.713 0.798 11.935 1.00 0.00 N ATOM 1271 CA ARG A 83 2.003 1.811 11.163 1.00 0.00 C ATOM 1272 C ARG A 83 2.768 3.131 11.165 1.00 0.00 C ATOM 1273 O ARG A 83 2.784 3.851 12.164 1.00 0.00 O ATOM 1274 CB ARG A 83 0.598 2.024 11.731 1.00 0.00 C ATOM 1275 CG ARG A 83 -0.229 0.750 11.803 1.00 0.00 C ATOM 1276 CD ARG A 83 -1.285 0.832 12.894 1.00 0.00 C ATOM 1277 NE ARG A 83 -2.269 1.877 12.626 1.00 0.00 N ATOM 1278 CZ ARG A 83 -3.021 2.438 13.566 1.00 0.00 C ATOM 1279 NH1 ARG A 83 -2.900 2.057 14.831 1.00 0.00 N ATOM 1280 NH2 ARG A 83 -3.895 3.383 13.244 1.00 0.00 N ATOM 0 H ARG A 83 2.525 0.822 12.937 1.00 0.00 H new ATOM 0 HA ARG A 83 1.923 1.458 10.135 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.680 2.451 12.731 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.073 2.754 11.115 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.711 0.573 10.841 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.426 -0.100 11.993 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.792 -0.129 12.981 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.802 1.026 13.852 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.385 2.194 11.663 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.228 1.332 15.083 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.479 2.489 15.551 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.990 3.680 12.273 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.472 3.812 13.968 1.00 0.00 H new ATOM 1294 N LEU A 84 3.402 3.443 10.040 1.00 0.00 N ATOM 1295 CA LEU A 84 4.170 4.676 9.911 1.00 0.00 C ATOM 1296 C LEU A 84 3.273 5.835 9.489 1.00 0.00 C ATOM 1297 O LEU A 84 3.255 6.886 10.130 1.00 0.00 O ATOM 1298 CB LEU A 84 5.299 4.493 8.894 1.00 0.00 C ATOM 1299 CG LEU A 84 6.255 3.329 9.155 1.00 0.00 C ATOM 1300 CD1 LEU A 84 7.291 3.230 8.046 1.00 0.00 C ATOM 1301 CD2 LEU A 84 6.934 3.490 10.508 1.00 0.00 C ATOM 0 H LEU A 84 3.399 2.859 9.204 1.00 0.00 H new ATOM 0 HA LEU A 84 4.601 4.910 10.885 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.854 4.358 7.908 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.881 5.414 8.858 1.00 0.00 H new ATOM 0 HG LEU A 84 5.677 2.405 9.168 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.963 2.396 8.249 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.789 3.068 7.092 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.865 4.155 8.001 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.611 2.653 10.677 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.499 4.422 10.523 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.179 3.511 11.294 1.00 0.00 H new ATOM 1313 N LEU A 85 2.527 5.636 8.407 1.00 0.00 N ATOM 1314 CA LEU A 85 1.625 6.664 7.900 1.00 0.00 C ATOM 1315 C LEU A 85 0.261 6.572 8.577 1.00 0.00 C ATOM 1316 O LEU A 85 -0.138 5.509 9.050 1.00 0.00 O ATOM 1317 CB LEU A 85 1.465 6.528 6.385 1.00 0.00 C ATOM 1318 CG LEU A 85 0.889 7.744 5.659 1.00 0.00 C ATOM 1319 CD1 LEU A 85 1.795 8.952 5.839 1.00 0.00 C ATOM 1320 CD2 LEU A 85 0.691 7.439 4.181 1.00 0.00 C ATOM 0 H LEU A 85 2.529 4.772 7.864 1.00 0.00 H new ATOM 0 HA LEU A 85 2.059 7.638 8.127 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.441 6.302 5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.822 5.671 6.183 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.083 7.976 6.095 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.369 9.808 5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.885 9.184 6.900 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.781 8.731 5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.280 8.316 3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.650 7.180 3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.001 6.602 4.071 1.00 0.00 H new ATOM 1332 N GLU A 86 -0.450 7.695 8.617 1.00 0.00 N ATOM 1333 CA GLU A 86 -1.770 7.740 9.235 1.00 0.00 C ATOM 1334 C GLU A 86 -2.858 7.923 8.180 1.00 0.00 C ATOM 1335 O GLU A 86 -2.655 8.559 7.146 1.00 0.00 O ATOM 1336 CB GLU A 86 -1.841 8.876 10.258 1.00 0.00 C ATOM 1337 CG GLU A 86 -1.139 8.558 11.568 1.00 0.00 C ATOM 1338 CD GLU A 86 -0.920 9.790 12.425 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -1.905 10.294 13.004 1.00 0.00 O ATOM 1340 OE2 GLU A 86 0.238 10.249 12.517 1.00 0.00 O ATOM 0 H GLU A 86 -0.134 8.584 8.229 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.937 6.791 9.745 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.396 9.772 9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.887 9.106 10.462 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.730 7.832 12.126 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.177 8.091 11.357 1.00 0.00 H new ATOM 1347 N PRO A 87 -4.042 7.352 8.447 1.00 0.00 N ATOM 1348 CA PRO A 87 -5.186 7.438 7.534 1.00 0.00 C ATOM 1349 C PRO A 87 -5.770 8.845 7.467 1.00 0.00 C ATOM 1350 O PRO A 87 -6.035 9.366 6.383 1.00 0.00 O ATOM 1351 CB PRO A 87 -6.200 6.467 8.144 1.00 0.00 C ATOM 1352 CG PRO A 87 -5.848 6.411 9.591 1.00 0.00 C ATOM 1353 CD PRO A 87 -4.356 6.579 9.660 1.00 0.00 C ATOM 0 HA PRO A 87 -4.908 7.197 6.508 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.222 6.818 7.998 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.133 5.482 7.682 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.356 7.199 10.147 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.155 5.462 10.031 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.053 7.108 10.563 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.843 5.617 9.667 1.00 0.00 H new ATOM 1361 N SER A 88 -5.966 9.456 8.631 1.00 0.00 N ATOM 1362 CA SER A 88 -6.522 10.802 8.703 1.00 0.00 C ATOM 1363 C SER A 88 -5.597 11.808 8.026 1.00 0.00 C ATOM 1364 O SER A 88 -6.043 12.655 7.251 1.00 0.00 O ATOM 1365 CB SER A 88 -6.751 11.204 10.162 1.00 0.00 C ATOM 1366 OG SER A 88 -5.568 11.046 10.926 1.00 0.00 O ATOM 0 H SER A 88 -5.748 9.040 9.537 1.00 0.00 H new ATOM 0 HA SER A 88 -7.478 10.803 8.179 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.082 12.241 10.209 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.548 10.595 10.589 1.00 0.00 H new ATOM 0 HG SER A 88 -5.740 11.311 11.854 1.00 0.00 H new ATOM 1372 N ASP A 89 -4.306 11.710 8.324 1.00 0.00 N ATOM 1373 CA ASP A 89 -3.317 12.610 7.744 1.00 0.00 C ATOM 1374 C ASP A 89 -3.576 12.816 6.255 1.00 0.00 C ATOM 1375 O ASP A 89 -3.646 13.949 5.778 1.00 0.00 O ATOM 1376 CB ASP A 89 -1.906 12.057 7.956 1.00 0.00 C ATOM 1377 CG ASP A 89 -1.300 12.508 9.270 1.00 0.00 C ATOM 1378 OD1 ASP A 89 -1.661 13.605 9.746 1.00 0.00 O ATOM 1379 OD2 ASP A 89 -0.464 11.763 9.824 1.00 0.00 O ATOM 0 H ASP A 89 -3.920 11.016 8.964 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.401 13.574 8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.938 10.968 7.929 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.266 12.378 7.134 1.00 0.00 H new ATOM 1384 N MET A 90 -3.719 11.714 5.526 1.00 0.00 N ATOM 1385 CA MET A 90 -3.971 11.775 4.091 1.00 0.00 C ATOM 1386 C MET A 90 -5.123 12.726 3.781 1.00 0.00 C ATOM 1387 O MET A 90 -5.135 13.384 2.740 1.00 0.00 O ATOM 1388 CB MET A 90 -4.286 10.380 3.547 1.00 0.00 C ATOM 1389 CG MET A 90 -3.198 9.357 3.832 1.00 0.00 C ATOM 1390 SD MET A 90 -1.909 9.346 2.572 1.00 0.00 S ATOM 1391 CE MET A 90 -1.871 7.607 2.142 1.00 0.00 C ATOM 0 H MET A 90 -3.665 10.769 5.905 1.00 0.00 H new ATOM 0 HA MET A 90 -3.071 12.152 3.605 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.223 10.032 3.982 1.00 0.00 H new ATOM 0 HB3 MET A 90 -4.439 10.445 2.470 1.00 0.00 H new ATOM 0 HG2 MET A 90 -2.750 9.569 4.803 1.00 0.00 H new ATOM 0 HG3 MET A 90 -3.645 8.365 3.898 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.998 7.405 1.522 1.00 0.00 H new ATOM 0 HE2 MET A 90 -1.817 7.008 3.051 1.00 0.00 H new ATOM 0 HE3 MET A 90 -2.775 7.349 1.591 1.00 0.00 H new ATOM 1401 N VAL A 91 -6.089 12.794 4.691 1.00 0.00 N ATOM 1402 CA VAL A 91 -7.245 13.666 4.515 1.00 0.00 C ATOM 1403 C VAL A 91 -6.946 15.080 5.001 1.00 0.00 C ATOM 1404 O VAL A 91 -7.340 16.061 4.370 1.00 0.00 O ATOM 1405 CB VAL A 91 -8.475 13.125 5.268 1.00 0.00 C ATOM 1406 CG1 VAL A 91 -9.698 13.981 4.977 1.00 0.00 C ATOM 1407 CG2 VAL A 91 -8.730 11.672 4.897 1.00 0.00 C ATOM 0 H VAL A 91 -6.095 12.256 5.558 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.464 13.691 3.447 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.274 13.173 6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.557 13.584 5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.510 15.006 5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.905 13.968 3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.603 11.306 5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.910 11.597 3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.860 11.071 5.162 1.00 0.00 H new ATOM 1417 N LEU A 92 -6.247 15.177 6.127 1.00 0.00 N ATOM 1418 CA LEU A 92 -5.894 16.472 6.698 1.00 0.00 C ATOM 1419 C LEU A 92 -5.208 17.356 5.662 1.00 0.00 C ATOM 1420 O LEU A 92 -5.583 18.514 5.471 1.00 0.00 O ATOM 1421 CB LEU A 92 -4.980 16.284 7.910 1.00 0.00 C ATOM 1422 CG LEU A 92 -5.581 15.524 9.093 1.00 0.00 C ATOM 1423 CD1 LEU A 92 -4.537 15.310 10.177 1.00 0.00 C ATOM 1424 CD2 LEU A 92 -6.786 16.269 9.649 1.00 0.00 C ATOM 0 H LEU A 92 -5.914 14.375 6.662 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.813 16.964 7.016 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.082 15.758 7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.665 17.268 8.258 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.914 14.547 8.741 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.984 14.768 11.010 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.705 14.733 9.772 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.172 16.276 10.527 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.201 15.714 10.490 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.478 17.259 9.984 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.543 16.368 8.871 1.00 0.00 H new ATOM 1436 N LEU A 93 -4.202 16.803 4.993 1.00 0.00 N ATOM 1437 CA LEU A 93 -3.464 17.540 3.973 1.00 0.00 C ATOM 1438 C LEU A 93 -3.936 17.155 2.574 1.00 0.00 C ATOM 1439 O LEU A 93 -4.828 16.321 2.417 1.00 0.00 O ATOM 1440 CB LEU A 93 -1.964 17.274 4.108 1.00 0.00 C ATOM 1441 CG LEU A 93 -1.536 15.807 4.064 1.00 0.00 C ATOM 1442 CD1 LEU A 93 -1.430 15.325 2.625 1.00 0.00 C ATOM 1443 CD2 LEU A 93 -0.213 15.615 4.791 1.00 0.00 C ATOM 0 H LEU A 93 -3.879 15.847 5.139 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.653 18.603 4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.448 17.806 3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.623 17.703 5.050 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.296 15.212 4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.124 14.279 2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.399 15.425 2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.691 15.925 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.076 14.565 4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.556 16.222 4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.322 15.920 5.832 1.00 0.00 H new ATOM 1455 N ALA A 94 -3.331 17.767 1.562 1.00 0.00 N ATOM 1456 CA ALA A 94 -3.686 17.485 0.176 1.00 0.00 C ATOM 1457 C ALA A 94 -2.830 16.358 -0.391 1.00 0.00 C ATOM 1458 O ALA A 94 -3.346 15.310 -0.781 1.00 0.00 O ATOM 1459 CB ALA A 94 -3.540 18.740 -0.671 1.00 0.00 C ATOM 0 H ALA A 94 -2.593 18.461 1.675 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.727 17.162 0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.808 18.515 -1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.199 19.518 -0.286 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.508 19.087 -0.632 1.00 0.00 H new ATOM 1465 N ILE A 95 -1.521 16.581 -0.436 1.00 0.00 N ATOM 1466 CA ILE A 95 -0.594 15.584 -0.957 1.00 0.00 C ATOM 1467 C ILE A 95 0.357 15.096 0.132 1.00 0.00 C ATOM 1468 O ILE A 95 1.009 15.882 0.819 1.00 0.00 O ATOM 1469 CB ILE A 95 0.231 16.141 -2.132 1.00 0.00 C ATOM 1470 CG1 ILE A 95 -0.695 16.642 -3.241 1.00 0.00 C ATOM 1471 CG2 ILE A 95 1.178 15.076 -2.666 1.00 0.00 C ATOM 1472 CD1 ILE A 95 -1.420 15.533 -3.971 1.00 0.00 C ATOM 0 H ILE A 95 -1.078 17.443 -0.118 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.196 14.748 -1.312 1.00 0.00 H new ATOM 0 HB ILE A 95 0.825 16.981 -1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.429 17.323 -2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.110 17.217 -3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.754 15.485 -3.496 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.857 14.762 -1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.602 14.218 -3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.058 15.962 -4.743 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.693 14.864 -4.432 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.032 14.972 -3.265 1.00 0.00 H new ATOM 1484 N PRO A 96 0.441 13.767 0.292 1.00 0.00 N ATOM 1485 CA PRO A 96 1.311 13.144 1.294 1.00 0.00 C ATOM 1486 C PRO A 96 2.789 13.294 0.951 1.00 0.00 C ATOM 1487 O PRO A 96 3.143 13.906 -0.057 1.00 0.00 O ATOM 1488 CB PRO A 96 0.899 11.670 1.254 1.00 0.00 C ATOM 1489 CG PRO A 96 0.344 11.469 -0.114 1.00 0.00 C ATOM 1490 CD PRO A 96 -0.308 12.770 -0.492 1.00 0.00 C ATOM 0 HA PRO A 96 1.199 13.605 2.275 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.752 11.016 1.435 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.156 11.446 2.020 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.132 11.208 -0.820 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.378 10.653 -0.126 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.233 12.961 -1.562 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.369 12.776 -0.241 1.00 0.00 H new ATOM 1498 N ASP A 97 3.647 12.732 1.794 1.00 0.00 N ATOM 1499 CA ASP A 97 5.088 12.802 1.579 1.00 0.00 C ATOM 1500 C ASP A 97 5.609 11.508 0.961 1.00 0.00 C ATOM 1501 O ASP A 97 5.813 10.513 1.657 1.00 0.00 O ATOM 1502 CB ASP A 97 5.810 13.077 2.900 1.00 0.00 C ATOM 1503 CG ASP A 97 5.966 14.560 3.175 1.00 0.00 C ATOM 1504 OD1 ASP A 97 6.930 15.161 2.658 1.00 0.00 O ATOM 1505 OD2 ASP A 97 5.123 15.118 3.908 1.00 0.00 O ATOM 0 H ASP A 97 3.370 12.223 2.633 1.00 0.00 H new ATOM 0 HA ASP A 97 5.288 13.620 0.887 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.256 12.615 3.717 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.794 12.609 2.878 1.00 0.00 H new ATOM 1510 N LYS A 98 5.820 11.528 -0.350 1.00 0.00 N ATOM 1511 CA LYS A 98 6.317 10.357 -1.063 1.00 0.00 C ATOM 1512 C LYS A 98 7.279 9.556 -0.191 1.00 0.00 C ATOM 1513 O LYS A 98 7.058 8.373 0.069 1.00 0.00 O ATOM 1514 CB LYS A 98 7.018 10.781 -2.356 1.00 0.00 C ATOM 1515 CG LYS A 98 7.733 9.643 -3.062 1.00 0.00 C ATOM 1516 CD LYS A 98 8.945 10.139 -3.833 1.00 0.00 C ATOM 1517 CE LYS A 98 8.549 10.727 -5.178 1.00 0.00 C ATOM 1518 NZ LYS A 98 9.626 11.582 -5.749 1.00 0.00 N ATOM 0 H LYS A 98 5.655 12.343 -0.941 1.00 0.00 H new ATOM 0 HA LYS A 98 5.464 9.724 -1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.281 11.212 -3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.739 11.566 -2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.046 8.899 -2.330 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.044 9.147 -3.746 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.468 10.893 -3.245 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.642 9.315 -3.986 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.319 9.920 -5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.640 11.317 -5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.317 11.964 -6.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.828 12.367 -5.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.486 11.013 -5.883 1.00 0.00 H new ATOM 1532 N LEU A 99 8.345 10.208 0.259 1.00 0.00 N ATOM 1533 CA LEU A 99 9.340 9.557 1.104 1.00 0.00 C ATOM 1534 C LEU A 99 8.675 8.836 2.272 1.00 0.00 C ATOM 1535 O LEU A 99 9.013 7.694 2.585 1.00 0.00 O ATOM 1536 CB LEU A 99 10.344 10.585 1.629 1.00 0.00 C ATOM 1537 CG LEU A 99 10.901 11.566 0.597 1.00 0.00 C ATOM 1538 CD1 LEU A 99 11.885 12.525 1.250 1.00 0.00 C ATOM 1539 CD2 LEU A 99 11.565 10.816 -0.548 1.00 0.00 C ATOM 0 H LEU A 99 8.543 11.187 0.053 1.00 0.00 H new ATOM 0 HA LEU A 99 9.868 8.820 0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.866 11.157 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 99 11.180 10.050 2.080 1.00 0.00 H new ATOM 0 HG LEU A 99 10.073 12.147 0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.271 13.216 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.379 13.087 2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.711 11.960 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.956 11.530 -1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 99 12.383 10.209 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.833 10.170 -1.033 1.00 0.00 H new ATOM 1551 N THR A 100 7.725 9.510 2.913 1.00 0.00 N ATOM 1552 CA THR A 100 7.011 8.934 4.045 1.00 0.00 C ATOM 1553 C THR A 100 6.245 7.682 3.633 1.00 0.00 C ATOM 1554 O THR A 100 6.372 6.630 4.259 1.00 0.00 O ATOM 1555 CB THR A 100 6.026 9.946 4.662 1.00 0.00 C ATOM 1556 OG1 THR A 100 6.731 11.114 5.096 1.00 0.00 O ATOM 1557 CG2 THR A 100 5.282 9.329 5.837 1.00 0.00 C ATOM 0 H THR A 100 7.433 10.456 2.667 1.00 0.00 H new ATOM 0 HA THR A 100 7.761 8.668 4.790 1.00 0.00 H new ATOM 0 HB THR A 100 5.299 10.225 3.899 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.131 11.680 5.625 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.593 10.062 6.256 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.723 8.458 5.496 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.997 9.025 6.601 1.00 0.00 H new ATOM 1565 N VAL A 101 5.449 7.803 2.576 1.00 0.00 N ATOM 1566 CA VAL A 101 4.663 6.680 2.079 1.00 0.00 C ATOM 1567 C VAL A 101 5.565 5.549 1.595 1.00 0.00 C ATOM 1568 O VAL A 101 5.548 4.450 2.147 1.00 0.00 O ATOM 1569 CB VAL A 101 3.735 7.110 0.927 1.00 0.00 C ATOM 1570 CG1 VAL A 101 2.986 5.910 0.367 1.00 0.00 C ATOM 1571 CG2 VAL A 101 2.764 8.182 1.398 1.00 0.00 C ATOM 0 H VAL A 101 5.331 8.667 2.047 1.00 0.00 H new ATOM 0 HA VAL A 101 4.056 6.326 2.912 1.00 0.00 H new ATOM 0 HB VAL A 101 4.347 7.530 0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.336 6.234 -0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.701 5.178 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.384 5.457 1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.116 8.474 0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.157 7.790 2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.322 9.051 1.746 1.00 0.00 H new ATOM 1581 N MET A 102 6.351 5.828 0.560 1.00 0.00 N ATOM 1582 CA MET A 102 7.261 4.835 0.003 1.00 0.00 C ATOM 1583 C MET A 102 7.916 4.016 1.111 1.00 0.00 C ATOM 1584 O MET A 102 7.930 2.785 1.063 1.00 0.00 O ATOM 1585 CB MET A 102 8.336 5.516 -0.846 1.00 0.00 C ATOM 1586 CG MET A 102 7.821 6.026 -2.183 1.00 0.00 C ATOM 1587 SD MET A 102 9.129 6.716 -3.214 1.00 0.00 S ATOM 1588 CE MET A 102 9.587 5.282 -4.184 1.00 0.00 C ATOM 0 H MET A 102 6.376 6.733 0.091 1.00 0.00 H new ATOM 0 HA MET A 102 6.681 4.162 -0.629 1.00 0.00 H new ATOM 0 HB2 MET A 102 8.756 6.351 -0.285 1.00 0.00 H new ATOM 0 HB3 MET A 102 9.148 4.811 -1.024 1.00 0.00 H new ATOM 0 HG2 MET A 102 7.336 5.209 -2.717 1.00 0.00 H new ATOM 0 HG3 MET A 102 7.061 6.788 -2.009 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.622 5.380 -4.511 1.00 0.00 H new ATOM 0 HE2 MET A 102 9.482 4.383 -3.577 1.00 0.00 H new ATOM 0 HE3 MET A 102 8.936 5.209 -5.055 1.00 0.00 H new ATOM 1598 N THR A 103 8.459 4.706 2.109 1.00 0.00 N ATOM 1599 CA THR A 103 9.117 4.042 3.228 1.00 0.00 C ATOM 1600 C THR A 103 8.207 2.993 3.856 1.00 0.00 C ATOM 1601 O THR A 103 8.615 1.850 4.067 1.00 0.00 O ATOM 1602 CB THR A 103 9.540 5.053 4.310 1.00 0.00 C ATOM 1603 OG1 THR A 103 10.400 6.047 3.743 1.00 0.00 O ATOM 1604 CG2 THR A 103 10.254 4.352 5.456 1.00 0.00 C ATOM 0 H THR A 103 8.456 5.724 2.165 1.00 0.00 H new ATOM 0 HA THR A 103 10.007 3.555 2.829 1.00 0.00 H new ATOM 0 HB THR A 103 8.641 5.531 4.700 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.891 6.870 3.588 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.543 5.086 6.208 1.00 0.00 H new ATOM 0 HG22 THR A 103 9.587 3.616 5.905 1.00 0.00 H new ATOM 0 HG23 THR A 103 11.145 3.850 5.077 1.00 0.00 H new ATOM 1612 N TYR A 104 6.974 3.387 4.153 1.00 0.00 N ATOM 1613 CA TYR A 104 6.007 2.480 4.760 1.00 0.00 C ATOM 1614 C TYR A 104 5.794 1.247 3.886 1.00 0.00 C ATOM 1615 O TYR A 104 5.788 0.117 4.376 1.00 0.00 O ATOM 1616 CB TYR A 104 4.675 3.197 4.984 1.00 0.00 C ATOM 1617 CG TYR A 104 3.592 2.302 5.544 1.00 0.00 C ATOM 1618 CD1 TYR A 104 3.823 1.521 6.670 1.00 0.00 C ATOM 1619 CD2 TYR A 104 2.339 2.238 4.948 1.00 0.00 C ATOM 1620 CE1 TYR A 104 2.837 0.702 7.185 1.00 0.00 C ATOM 1621 CE2 TYR A 104 1.346 1.423 5.457 1.00 0.00 C ATOM 1622 CZ TYR A 104 1.601 0.656 6.575 1.00 0.00 C ATOM 1623 OH TYR A 104 0.615 -0.158 7.086 1.00 0.00 O ATOM 0 H TYR A 104 6.620 4.329 3.983 1.00 0.00 H new ATOM 0 HA TYR A 104 6.404 2.157 5.722 1.00 0.00 H new ATOM 0 HB2 TYR A 104 4.832 4.033 5.665 1.00 0.00 H new ATOM 0 HB3 TYR A 104 4.334 3.617 4.038 1.00 0.00 H new ATOM 0 HD1 TYR A 104 4.790 1.555 7.150 1.00 0.00 H new ATOM 0 HD2 TYR A 104 2.137 2.836 4.071 1.00 0.00 H new ATOM 0 HE1 TYR A 104 3.033 0.101 8.061 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.376 1.387 4.983 1.00 0.00 H new ATOM 0 HH TYR A 104 0.734 -0.247 8.055 1.00 0.00 H new ATOM 1633 N LEU A 105 5.619 1.473 2.589 1.00 0.00 N ATOM 1634 CA LEU A 105 5.406 0.382 1.644 1.00 0.00 C ATOM 1635 C LEU A 105 6.511 -0.663 1.761 1.00 0.00 C ATOM 1636 O LEU A 105 6.247 -1.829 2.056 1.00 0.00 O ATOM 1637 CB LEU A 105 5.350 0.923 0.214 1.00 0.00 C ATOM 1638 CG LEU A 105 3.969 1.338 -0.293 1.00 0.00 C ATOM 1639 CD1 LEU A 105 4.092 2.161 -1.566 1.00 0.00 C ATOM 1640 CD2 LEU A 105 3.098 0.113 -0.530 1.00 0.00 C ATOM 0 H LEU A 105 5.620 2.402 2.167 1.00 0.00 H new ATOM 0 HA LEU A 105 4.455 -0.093 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.014 1.785 0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.748 0.162 -0.457 1.00 0.00 H new ATOM 0 HG LEU A 105 3.494 1.955 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.099 2.447 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.678 3.058 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.587 1.569 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.119 0.427 -0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.569 -0.530 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.981 -0.437 0.404 1.00 0.00 H new ATOM 1652 N TYR A 106 7.748 -0.238 1.532 1.00 0.00 N ATOM 1653 CA TYR A 106 8.893 -1.137 1.612 1.00 0.00 C ATOM 1654 C TYR A 106 8.706 -2.158 2.730 1.00 0.00 C ATOM 1655 O TYR A 106 9.058 -3.328 2.581 1.00 0.00 O ATOM 1656 CB TYR A 106 10.178 -0.341 1.842 1.00 0.00 C ATOM 1657 CG TYR A 106 10.802 0.184 0.569 1.00 0.00 C ATOM 1658 CD1 TYR A 106 11.363 -0.682 -0.362 1.00 0.00 C ATOM 1659 CD2 TYR A 106 10.830 1.546 0.295 1.00 0.00 C ATOM 1660 CE1 TYR A 106 11.935 -0.207 -1.526 1.00 0.00 C ATOM 1661 CE2 TYR A 106 11.398 2.030 -0.867 1.00 0.00 C ATOM 1662 CZ TYR A 106 11.949 1.149 -1.774 1.00 0.00 C ATOM 1663 OH TYR A 106 12.517 1.626 -2.934 1.00 0.00 O ATOM 0 H TYR A 106 7.984 0.724 1.289 1.00 0.00 H new ATOM 0 HA TYR A 106 8.970 -1.672 0.665 1.00 0.00 H new ATOM 0 HB2 TYR A 106 9.962 0.498 2.503 1.00 0.00 H new ATOM 0 HB3 TYR A 106 10.901 -0.975 2.356 1.00 0.00 H new ATOM 0 HD1 TYR A 106 11.351 -1.745 -0.172 1.00 0.00 H new ATOM 0 HD2 TYR A 106 10.400 2.238 1.003 1.00 0.00 H new ATOM 0 HE1 TYR A 106 12.369 -0.894 -2.238 1.00 0.00 H new ATOM 0 HE2 TYR A 106 11.411 3.092 -1.064 1.00 0.00 H new ATOM 0 HH TYR A 106 12.444 2.603 -2.956 1.00 0.00 H new ATOM 1673 N GLN A 107 8.150 -1.706 3.849 1.00 0.00 N ATOM 1674 CA GLN A 107 7.917 -2.579 4.993 1.00 0.00 C ATOM 1675 C GLN A 107 6.988 -3.730 4.619 1.00 0.00 C ATOM 1676 O GLN A 107 7.239 -4.882 4.972 1.00 0.00 O ATOM 1677 CB GLN A 107 7.320 -1.784 6.155 1.00 0.00 C ATOM 1678 CG GLN A 107 8.184 -0.614 6.599 1.00 0.00 C ATOM 1679 CD GLN A 107 9.394 -1.052 7.400 1.00 0.00 C ATOM 1680 OE1 GLN A 107 10.389 -1.514 6.840 1.00 0.00 O ATOM 1681 NE2 GLN A 107 9.316 -0.908 8.717 1.00 0.00 N ATOM 0 H GLN A 107 7.852 -0.740 3.988 1.00 0.00 H new ATOM 0 HA GLN A 107 8.876 -2.995 5.302 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.339 -1.410 5.862 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.166 -2.453 7.001 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.516 -0.059 5.722 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.583 0.069 7.200 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.472 -0.521 9.139 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.100 -1.185 9.308 1.00 0.00 H new ATOM 1690 N ILE A 108 5.916 -3.409 3.903 1.00 0.00 N ATOM 1691 CA ILE A 108 4.951 -4.416 3.480 1.00 0.00 C ATOM 1692 C ILE A 108 5.523 -5.296 2.374 1.00 0.00 C ATOM 1693 O ILE A 108 5.576 -6.519 2.505 1.00 0.00 O ATOM 1694 CB ILE A 108 3.644 -3.770 2.983 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.931 -3.057 4.134 1.00 0.00 C ATOM 1696 CG2 ILE A 108 2.737 -4.821 2.360 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.226 -1.575 4.202 1.00 0.00 C ATOM 0 H ILE A 108 5.694 -2.460 3.604 1.00 0.00 H new ATOM 0 HA ILE A 108 4.733 -5.031 4.354 1.00 0.00 H new ATOM 0 HB ILE A 108 3.889 -3.031 2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.856 -3.201 4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.224 -3.521 5.076 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.818 -4.349 2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.246 -5.287 1.516 1.00 0.00 H new ATOM 0 HG23 ILE A 108 2.497 -5.581 3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.687 -1.135 5.041 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.297 -1.423 4.338 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.907 -1.098 3.276 1.00 0.00 H new ATOM 1709 N ARG A 109 5.952 -4.665 1.286 1.00 0.00 N ATOM 1710 CA ARG A 109 6.521 -5.391 0.157 1.00 0.00 C ATOM 1711 C ARG A 109 7.679 -6.276 0.608 1.00 0.00 C ATOM 1712 O ARG A 109 7.907 -7.349 0.050 1.00 0.00 O ATOM 1713 CB ARG A 109 7.001 -4.412 -0.916 1.00 0.00 C ATOM 1714 CG ARG A 109 7.902 -5.048 -1.962 1.00 0.00 C ATOM 1715 CD ARG A 109 9.367 -4.960 -1.563 1.00 0.00 C ATOM 1716 NE ARG A 109 10.248 -5.514 -2.588 1.00 0.00 N ATOM 1717 CZ ARG A 109 11.526 -5.179 -2.718 1.00 0.00 C ATOM 1718 NH1 ARG A 109 12.071 -4.297 -1.891 1.00 0.00 N ATOM 1719 NH2 ARG A 109 12.263 -5.726 -3.676 1.00 0.00 N ATOM 0 H ARG A 109 5.916 -3.653 1.162 1.00 0.00 H new ATOM 0 HA ARG A 109 5.742 -6.027 -0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 109 6.134 -3.976 -1.412 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.538 -3.594 -0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.623 -6.093 -2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.755 -4.552 -2.921 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.631 -3.918 -1.382 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.520 -5.495 -0.626 1.00 0.00 H new ATOM 0 HE ARG A 109 9.860 -6.196 -3.240 1.00 0.00 H new ATOM 0 HH11 ARG A 109 11.508 -3.874 -1.153 1.00 0.00 H new ATOM 0 HH12 ARG A 109 13.053 -4.041 -1.993 1.00 0.00 H new ATOM 0 HH21 ARG A 109 11.848 -6.405 -4.314 1.00 0.00 H new ATOM 0 HH22 ARG A 109 13.245 -5.468 -3.775 1.00 0.00 H new ATOM 1733 N ALA A 110 8.408 -5.818 1.620 1.00 0.00 N ATOM 1734 CA ALA A 110 9.542 -6.568 2.147 1.00 0.00 C ATOM 1735 C ALA A 110 9.074 -7.787 2.936 1.00 0.00 C ATOM 1736 O ALA A 110 9.626 -8.879 2.796 1.00 0.00 O ATOM 1737 CB ALA A 110 10.408 -5.673 3.020 1.00 0.00 C ATOM 0 H ALA A 110 8.234 -4.931 2.092 1.00 0.00 H new ATOM 0 HA ALA A 110 10.137 -6.919 1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.250 -6.247 3.406 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.779 -4.837 2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.815 -5.293 3.852 1.00 0.00 H new ATOM 1743 N HIS A 111 8.054 -7.593 3.766 1.00 0.00 N ATOM 1744 CA HIS A 111 7.512 -8.677 4.577 1.00 0.00 C ATOM 1745 C HIS A 111 7.182 -9.890 3.713 1.00 0.00 C ATOM 1746 O HIS A 111 7.678 -10.991 3.955 1.00 0.00 O ATOM 1747 CB HIS A 111 6.261 -8.210 5.320 1.00 0.00 C ATOM 1748 CG HIS A 111 5.459 -9.331 5.907 1.00 0.00 C ATOM 1749 ND1 HIS A 111 4.564 -10.172 5.338 1.00 0.00 N flip ATOM 1750 CD2 HIS A 111 5.530 -9.691 7.237 1.00 0.00 C flip ATOM 1751 CE1 HIS A 111 4.116 -11.017 6.324 1.00 0.00 C flip ATOM 1752 NE2 HIS A 111 4.715 -10.706 7.459 1.00 0.00 N flip ATOM 0 H HIS A 111 7.586 -6.696 3.894 1.00 0.00 H new ATOM 0 HA HIS A 111 8.270 -8.967 5.304 1.00 0.00 H new ATOM 0 HB2 HIS A 111 6.556 -7.528 6.118 1.00 0.00 H new ATOM 0 HB3 HIS A 111 5.631 -7.644 4.634 1.00 0.00 H new ATOM 0 HD1 HIS A 111 4.276 -10.177 4.360 1.00 0.00 H new ATOM 0 HD2 HIS A 111 6.154 -9.217 7.980 1.00 0.00 H new ATOM 0 HE1 HIS A 111 3.392 -11.807 6.192 1.00 0.00 H new ATOM 1761 N PHE A 112 6.342 -9.682 2.705 1.00 0.00 N ATOM 1762 CA PHE A 112 5.944 -10.759 1.806 1.00 0.00 C ATOM 1763 C PHE A 112 7.105 -11.173 0.907 1.00 0.00 C ATOM 1764 O PHE A 112 7.547 -12.322 0.935 1.00 0.00 O ATOM 1765 CB PHE A 112 4.752 -10.324 0.951 1.00 0.00 C ATOM 1766 CG PHE A 112 3.498 -10.090 1.745 1.00 0.00 C ATOM 1767 CD1 PHE A 112 2.753 -11.158 2.218 1.00 0.00 C ATOM 1768 CD2 PHE A 112 3.065 -8.802 2.018 1.00 0.00 C ATOM 1769 CE1 PHE A 112 1.599 -10.947 2.949 1.00 0.00 C ATOM 1770 CE2 PHE A 112 1.912 -8.585 2.749 1.00 0.00 C ATOM 1771 CZ PHE A 112 1.178 -9.658 3.214 1.00 0.00 C ATOM 0 H PHE A 112 5.923 -8.777 2.490 1.00 0.00 H new ATOM 0 HA PHE A 112 5.653 -11.617 2.413 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.012 -9.409 0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.558 -11.087 0.197 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.078 -12.167 2.013 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.634 -7.959 1.656 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.027 -11.788 3.312 1.00 0.00 H new ATOM 0 HE2 PHE A 112 1.585 -7.577 2.956 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.276 -9.490 3.784 1.00 0.00 H new