USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 852 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 20 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 22 LYS NZ :NH3+ 152:sc= -0.135 (180deg=-1.22) USER MOD Set 2.1: A 13 LYS NZ :NH3+ 175:sc= 0.282 (180deg=0.273) USER MOD Set 2.2: A 24 MET CE :methyl 166:sc= -7.5! (180deg=-7.76!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -34:sc= 0.0336 USER MOD Single : A 19 ASN : amide:sc= -1.7! C(o=-1.7!,f=-7.9!) USER MOD Single : A 36 TYR OH : rot -107:sc= 0.0414 USER MOD Single : A 37 LYS NZ :NH3+ -173:sc= 0.601 (180deg=0.573) USER MOD Single : A 38 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.19) USER MOD Single : A 39 LYS NZ :NH3+ -148:sc= 0.566 (180deg=0.154) USER MOD Single : A 40 SER OG : rot 100:sc= -1.93 USER MOD Single : A 42 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.0065) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -108:sc= -0.692! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -140:sc= -0.785 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot -60:sc= 0.468 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 157:sc= 1.09 (180deg=0.674) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.14! USER MOD Single : A 74 THR OG1 : rot -53:sc= -0.132! USER MOD Single : A 75 LYS NZ :NH3+ -95:sc= -0.269 (180deg=-1.21) USER MOD Single : A 76 GLN : amide:sc= -0.0411 X(o=-0.041,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.295 K(o=-0.3,f=-3.1!) USER MOD Single : A 79 HIS : no HD1:sc=-0.00443 X(o=-0.0044,f=-0.046) USER MOD Single : A 82 GLN : amide:sc= -2.06 K(o=-2.1,f=-5.2!) USER MOD Single : A 97 ASN : amide:sc= -0.226 K(o=-0.23,f=-2.3!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N ARG A 5 -7.741 9.293 4.568 1.00 0.00 N ATOM 72 CA ARG A 5 -7.237 7.977 4.083 1.00 0.00 C ATOM 73 C ARG A 5 -7.152 6.993 5.253 1.00 0.00 C ATOM 74 O ARG A 5 -7.028 7.381 6.398 1.00 0.00 O ATOM 75 CB ARG A 5 -5.851 8.162 3.462 1.00 0.00 C ATOM 76 CG ARG A 5 -5.935 9.189 2.330 1.00 0.00 C ATOM 77 CD ARG A 5 -5.382 10.531 2.812 1.00 0.00 C ATOM 78 NE ARG A 5 -4.832 11.288 1.652 1.00 0.00 N ATOM 79 CZ ARG A 5 -4.954 12.587 1.602 1.00 0.00 C ATOM 80 NH1 ARG A 5 -4.732 13.304 2.669 1.00 0.00 N ATOM 81 NH2 ARG A 5 -5.298 13.168 0.485 1.00 0.00 N ATOM 0 HA ARG A 5 -7.921 7.580 3.333 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.142 8.497 4.220 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.482 7.211 3.078 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.369 8.840 1.466 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.970 9.305 2.007 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.170 11.108 3.296 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.603 10.369 3.556 1.00 0.00 H new ATOM 0 HE ARG A 5 -4.360 10.791 0.897 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.463 12.850 3.542 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.827 14.319 2.630 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.472 12.607 -0.349 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.393 14.183 0.446 1.00 0.00 H new ATOM 95 N ILE A 6 -7.228 5.721 4.973 1.00 0.00 N ATOM 96 CA ILE A 6 -7.163 4.708 6.065 1.00 0.00 C ATOM 97 C ILE A 6 -5.795 4.754 6.748 1.00 0.00 C ATOM 98 O ILE A 6 -5.699 4.929 7.947 1.00 0.00 O ATOM 99 CB ILE A 6 -7.385 3.310 5.483 1.00 0.00 C ATOM 100 CG1 ILE A 6 -8.638 3.316 4.604 1.00 0.00 C ATOM 101 CG2 ILE A 6 -7.565 2.306 6.622 1.00 0.00 C ATOM 102 CD1 ILE A 6 -9.804 3.930 5.380 1.00 0.00 C ATOM 0 H ILE A 6 -7.333 5.338 4.033 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.939 4.932 6.797 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.521 3.026 4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.453 3.886 3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.886 2.299 4.299 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.723 1.310 6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.672 2.301 7.247 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.428 2.590 7.224 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.696 3.934 4.754 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.994 3.342 6.278 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.555 4.953 5.663 1.00 0.00 H new ATOM 114 N ARG A 7 -4.733 4.583 6.006 1.00 0.00 N ATOM 115 CA ARG A 7 -3.381 4.602 6.640 1.00 0.00 C ATOM 116 C ARG A 7 -2.429 5.493 5.840 1.00 0.00 C ATOM 117 O ARG A 7 -1.745 5.043 4.945 1.00 0.00 O ATOM 118 CB ARG A 7 -2.835 3.172 6.700 1.00 0.00 C ATOM 119 CG ARG A 7 -1.356 3.182 7.094 1.00 0.00 C ATOM 120 CD ARG A 7 -1.241 3.026 8.609 1.00 0.00 C ATOM 121 NE ARG A 7 -1.047 4.365 9.234 1.00 0.00 N ATOM 122 CZ ARG A 7 -1.790 4.727 10.242 1.00 0.00 C ATOM 123 NH1 ARG A 7 -1.733 4.067 11.367 1.00 0.00 N ATOM 124 NH2 ARG A 7 -2.591 5.751 10.128 1.00 0.00 N ATOM 0 H ARG A 7 -4.741 4.432 4.997 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.463 5.006 7.649 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.406 2.588 7.421 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.956 2.689 5.731 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.828 2.372 6.591 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.888 4.114 6.775 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.140 2.555 9.006 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.404 2.373 8.855 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.333 4.998 8.873 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.107 3.267 11.458 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.315 4.351 12.155 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.636 6.268 9.250 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.172 6.034 10.917 1.00 0.00 H new ATOM 138 N GLU A 8 -2.355 6.752 6.170 1.00 0.00 N ATOM 139 CA GLU A 8 -1.419 7.645 5.435 1.00 0.00 C ATOM 140 C GLU A 8 -0.190 7.900 6.297 1.00 0.00 C ATOM 141 O GLU A 8 -0.285 8.276 7.447 1.00 0.00 O ATOM 142 CB GLU A 8 -2.092 8.976 5.110 1.00 0.00 C ATOM 143 CG GLU A 8 -2.704 9.576 6.377 1.00 0.00 C ATOM 144 CD GLU A 8 -2.021 10.909 6.690 1.00 0.00 C ATOM 145 OE1 GLU A 8 -0.921 10.877 7.220 1.00 0.00 O ATOM 146 OE2 GLU A 8 -2.609 11.937 6.398 1.00 0.00 O ATOM 0 H GLU A 8 -2.897 7.198 6.910 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.130 7.161 4.502 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.364 9.667 4.686 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.866 8.827 4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.775 9.727 6.240 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.583 8.888 7.214 1.00 0.00 H new ATOM 153 N GLY A 9 0.965 7.697 5.741 1.00 0.00 N ATOM 154 CA GLY A 9 2.213 7.920 6.506 1.00 0.00 C ATOM 155 C GLY A 9 3.362 8.112 5.522 1.00 0.00 C ATOM 156 O GLY A 9 3.179 8.596 4.424 1.00 0.00 O ATOM 0 H GLY A 9 1.098 7.383 4.780 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.113 8.797 7.145 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.413 7.070 7.159 1.00 0.00 H new ATOM 160 N TYR A 10 4.543 7.734 5.905 1.00 0.00 N ATOM 161 CA TYR A 10 5.705 7.898 4.990 1.00 0.00 C ATOM 162 C TYR A 10 6.639 6.692 5.101 1.00 0.00 C ATOM 163 O TYR A 10 7.487 6.630 5.969 1.00 0.00 O ATOM 164 CB TYR A 10 6.471 9.168 5.367 1.00 0.00 C ATOM 165 CG TYR A 10 6.725 9.182 6.857 1.00 0.00 C ATOM 166 CD1 TYR A 10 5.659 9.374 7.747 1.00 0.00 C ATOM 167 CD2 TYR A 10 8.025 9.004 7.348 1.00 0.00 C ATOM 168 CE1 TYR A 10 5.895 9.389 9.128 1.00 0.00 C ATOM 169 CE2 TYR A 10 8.260 9.018 8.730 1.00 0.00 C ATOM 170 CZ TYR A 10 7.194 9.210 9.620 1.00 0.00 C ATOM 171 OH TYR A 10 7.426 9.223 10.980 1.00 0.00 O ATOM 0 H TYR A 10 4.757 7.318 6.811 1.00 0.00 H new ATOM 0 HA TYR A 10 5.342 7.974 3.965 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.416 9.209 4.826 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.899 10.050 5.077 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.657 9.510 7.368 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.846 8.856 6.662 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.074 9.539 9.814 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.262 8.881 9.109 1.00 0.00 H new ATOM 0 HH TYR A 10 8.381 9.084 11.150 1.00 0.00 H new ATOM 181 N LEU A 11 6.511 5.747 4.211 1.00 0.00 N ATOM 182 CA LEU A 11 7.419 4.561 4.250 1.00 0.00 C ATOM 183 C LEU A 11 8.287 4.589 2.995 1.00 0.00 C ATOM 184 O LEU A 11 8.067 5.387 2.112 1.00 0.00 O ATOM 185 CB LEU A 11 6.612 3.255 4.277 1.00 0.00 C ATOM 186 CG LEU A 11 5.388 3.370 5.199 1.00 0.00 C ATOM 187 CD1 LEU A 11 5.689 4.284 6.390 1.00 0.00 C ATOM 188 CD2 LEU A 11 4.209 3.925 4.400 1.00 0.00 C ATOM 0 H LEU A 11 5.820 5.742 3.460 1.00 0.00 H new ATOM 0 HA LEU A 11 8.031 4.603 5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.286 3.006 3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.250 2.439 4.617 1.00 0.00 H new ATOM 0 HG LEU A 11 5.140 2.381 5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.809 4.351 7.029 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.522 3.875 6.961 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.951 5.278 6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.337 4.009 5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.466 4.909 4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.982 3.253 3.572 1.00 0.00 H new ATOM 200 N VAL A 12 9.270 3.739 2.896 1.00 0.00 N ATOM 201 CA VAL A 12 10.125 3.766 1.673 1.00 0.00 C ATOM 202 C VAL A 12 9.731 2.622 0.738 1.00 0.00 C ATOM 203 O VAL A 12 9.640 1.478 1.138 1.00 0.00 O ATOM 204 CB VAL A 12 11.599 3.637 2.069 1.00 0.00 C ATOM 205 CG1 VAL A 12 11.753 2.528 3.105 1.00 0.00 C ATOM 206 CG2 VAL A 12 12.436 3.301 0.831 1.00 0.00 C ATOM 0 H VAL A 12 9.517 3.038 3.594 1.00 0.00 H new ATOM 0 HA VAL A 12 9.978 4.713 1.154 1.00 0.00 H new ATOM 0 HB VAL A 12 11.944 4.580 2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.802 2.436 3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.160 2.769 3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.407 1.585 2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.485 3.210 1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.092 2.359 0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.328 4.095 0.092 1.00 0.00 H new ATOM 216 N LYS A 13 9.500 2.929 -0.511 1.00 0.00 N ATOM 217 CA LYS A 13 9.114 1.871 -1.487 1.00 0.00 C ATOM 218 C LYS A 13 10.153 1.813 -2.607 1.00 0.00 C ATOM 219 O LYS A 13 10.967 2.704 -2.758 1.00 0.00 O ATOM 220 CB LYS A 13 7.740 2.195 -2.084 1.00 0.00 C ATOM 221 CG LYS A 13 7.064 0.896 -2.534 1.00 0.00 C ATOM 222 CD LYS A 13 5.540 1.020 -2.409 1.00 0.00 C ATOM 223 CE LYS A 13 5.163 1.481 -1.000 1.00 0.00 C ATOM 224 NZ LYS A 13 4.521 2.825 -1.072 1.00 0.00 N ATOM 0 H LYS A 13 9.563 3.871 -0.898 1.00 0.00 H new ATOM 0 HA LYS A 13 9.068 0.908 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.121 2.704 -1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.849 2.874 -2.930 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.335 0.676 -3.567 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.419 0.063 -1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.164 1.730 -3.145 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.071 0.060 -2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.481 0.765 -0.542 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.051 1.524 -0.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.188 3.102 -0.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.213 3.522 -1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.713 2.789 -1.726 1.00 0.00 H new ATOM 238 N LYS A 14 10.134 0.773 -3.394 1.00 0.00 N ATOM 239 CA LYS A 14 11.122 0.661 -4.504 1.00 0.00 C ATOM 240 C LYS A 14 10.827 1.727 -5.561 1.00 0.00 C ATOM 241 O LYS A 14 9.750 1.780 -6.121 1.00 0.00 O ATOM 242 CB LYS A 14 11.020 -0.727 -5.139 1.00 0.00 C ATOM 243 CG LYS A 14 12.424 -1.270 -5.410 1.00 0.00 C ATOM 244 CD LYS A 14 12.326 -2.568 -6.214 1.00 0.00 C ATOM 245 CE LYS A 14 11.641 -2.290 -7.554 1.00 0.00 C ATOM 246 NZ LYS A 14 11.707 -3.511 -8.407 1.00 0.00 N ATOM 0 H LYS A 14 9.478 -0.004 -3.317 1.00 0.00 H new ATOM 0 HA LYS A 14 12.128 0.809 -4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.479 -1.403 -4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.454 -0.672 -6.069 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.010 -0.533 -5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.943 -1.452 -4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.321 -2.980 -6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.762 -3.313 -5.653 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.602 -2.003 -7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.128 -1.455 -8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.242 -3.324 -9.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.702 -3.766 -8.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.224 -4.297 -7.927 1.00 0.00 H new ATOM 260 N GLY A 15 11.777 2.577 -5.840 1.00 0.00 N ATOM 261 CA GLY A 15 11.551 3.638 -6.863 1.00 0.00 C ATOM 262 C GLY A 15 11.460 3.000 -8.250 1.00 0.00 C ATOM 263 O GLY A 15 11.237 1.813 -8.384 1.00 0.00 O ATOM 0 H GLY A 15 12.699 2.583 -5.404 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.633 4.182 -6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.365 4.362 -6.837 1.00 0.00 H new ATOM 267 N SER A 16 11.630 3.778 -9.285 1.00 0.00 N ATOM 268 CA SER A 16 11.551 3.215 -10.661 1.00 0.00 C ATOM 269 C SER A 16 12.889 3.423 -11.376 1.00 0.00 C ATOM 270 O SER A 16 13.171 2.798 -12.379 1.00 0.00 O ATOM 271 CB SER A 16 10.443 3.926 -11.440 1.00 0.00 C ATOM 272 OG SER A 16 10.253 3.274 -12.688 1.00 0.00 O ATOM 0 H SER A 16 11.820 4.779 -9.236 1.00 0.00 H new ATOM 0 HA SER A 16 11.330 2.149 -10.604 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.516 3.916 -10.867 1.00 0.00 H new ATOM 0 HB3 SER A 16 10.708 4.971 -11.599 1.00 0.00 H new ATOM 0 HG SER A 16 11.114 2.939 -13.017 1.00 0.00 H new ATOM 278 N VAL A 17 13.715 4.295 -10.867 1.00 0.00 N ATOM 279 CA VAL A 17 15.033 4.539 -11.519 1.00 0.00 C ATOM 280 C VAL A 17 15.697 3.198 -11.847 1.00 0.00 C ATOM 281 O VAL A 17 15.460 2.618 -12.887 1.00 0.00 O ATOM 282 CB VAL A 17 15.934 5.343 -10.577 1.00 0.00 C ATOM 283 CG1 VAL A 17 15.691 6.837 -10.791 1.00 0.00 C ATOM 284 CG2 VAL A 17 15.610 4.980 -9.125 1.00 0.00 C ATOM 0 H VAL A 17 13.535 4.848 -10.029 1.00 0.00 H new ATOM 0 HA VAL A 17 14.882 5.103 -12.439 1.00 0.00 H new ATOM 0 HB VAL A 17 16.978 5.109 -10.787 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.332 7.410 -10.121 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.920 7.099 -11.824 1.00 0.00 H new ATOM 0 HG13 VAL A 17 14.647 7.070 -10.581 1.00 0.00 H new ATOM 0 HG21 VAL A 17 16.252 5.552 -8.455 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.566 5.214 -8.916 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.781 3.915 -8.969 1.00 0.00 H new ATOM 294 N PHE A 18 16.525 2.700 -10.969 1.00 0.00 N ATOM 295 CA PHE A 18 17.197 1.398 -11.236 1.00 0.00 C ATOM 296 C PHE A 18 16.958 0.449 -10.060 1.00 0.00 C ATOM 297 O PHE A 18 17.880 -0.118 -9.509 1.00 0.00 O ATOM 298 CB PHE A 18 18.701 1.627 -11.407 1.00 0.00 C ATOM 299 CG PHE A 18 18.953 2.342 -12.712 1.00 0.00 C ATOM 300 CD1 PHE A 18 18.492 1.789 -13.914 1.00 0.00 C ATOM 301 CD2 PHE A 18 19.649 3.558 -12.721 1.00 0.00 C ATOM 302 CE1 PHE A 18 18.725 2.454 -15.126 1.00 0.00 C ATOM 303 CE2 PHE A 18 19.883 4.221 -13.933 1.00 0.00 C ATOM 304 CZ PHE A 18 19.421 3.670 -15.135 1.00 0.00 C ATOM 0 H PHE A 18 16.764 3.138 -10.080 1.00 0.00 H new ATOM 0 HA PHE A 18 16.789 0.959 -12.146 1.00 0.00 H new ATOM 0 HB2 PHE A 18 19.087 2.217 -10.576 1.00 0.00 H new ATOM 0 HB3 PHE A 18 19.229 0.674 -11.394 1.00 0.00 H new ATOM 0 HD1 PHE A 18 17.957 0.851 -13.907 1.00 0.00 H new ATOM 0 HD2 PHE A 18 20.005 3.984 -11.795 1.00 0.00 H new ATOM 0 HE1 PHE A 18 18.368 2.029 -16.053 1.00 0.00 H new ATOM 0 HE2 PHE A 18 20.420 5.158 -13.940 1.00 0.00 H new ATOM 0 HZ PHE A 18 19.601 4.182 -16.069 1.00 0.00 H new ATOM 314 N ASN A 19 15.725 0.271 -9.670 1.00 0.00 N ATOM 315 CA ASN A 19 15.429 -0.639 -8.528 1.00 0.00 C ATOM 316 C ASN A 19 16.164 -0.145 -7.282 1.00 0.00 C ATOM 317 O ASN A 19 17.194 -0.669 -6.909 1.00 0.00 O ATOM 318 CB ASN A 19 15.899 -2.055 -8.867 1.00 0.00 C ATOM 319 CG ASN A 19 15.355 -2.462 -10.237 1.00 0.00 C ATOM 320 OD1 ASN A 19 15.137 -1.625 -11.091 1.00 0.00 O ATOM 321 ND2 ASN A 19 15.125 -3.723 -10.485 1.00 0.00 N ATOM 0 H ASN A 19 14.911 0.716 -10.093 1.00 0.00 H new ATOM 0 HA ASN A 19 14.355 -0.648 -8.340 1.00 0.00 H new ATOM 0 HB2 ASN A 19 16.988 -2.096 -8.870 1.00 0.00 H new ATOM 0 HB3 ASN A 19 15.555 -2.755 -8.105 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.762 -4.006 -11.395 1.00 0.00 H new ATOM 0 HD22 ASN A 19 15.308 -4.425 -9.768 1.00 0.00 H new ATOM 328 N THR A 20 15.644 0.861 -6.634 1.00 0.00 N ATOM 329 CA THR A 20 16.317 1.387 -5.414 1.00 0.00 C ATOM 330 C THR A 20 15.334 1.379 -4.242 1.00 0.00 C ATOM 331 O THR A 20 14.290 0.759 -4.299 1.00 0.00 O ATOM 332 CB THR A 20 16.791 2.818 -5.672 1.00 0.00 C ATOM 333 OG1 THR A 20 15.698 3.601 -6.132 1.00 0.00 O ATOM 334 CG2 THR A 20 17.896 2.809 -6.728 1.00 0.00 C ATOM 0 H THR A 20 14.783 1.341 -6.897 1.00 0.00 H new ATOM 0 HA THR A 20 17.173 0.757 -5.172 1.00 0.00 H new ATOM 0 HB THR A 20 17.180 3.245 -4.748 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.999 4.519 -6.296 1.00 0.00 H new ATOM 0 HG21 THR A 20 18.233 3.829 -6.911 1.00 0.00 H new ATOM 0 HG22 THR A 20 18.734 2.209 -6.373 1.00 0.00 H new ATOM 0 HG23 THR A 20 17.511 2.383 -7.654 1.00 0.00 H new ATOM 342 N TRP A 21 15.658 2.061 -3.179 1.00 0.00 N ATOM 343 CA TRP A 21 14.742 2.092 -2.004 1.00 0.00 C ATOM 344 C TRP A 21 14.806 3.470 -1.344 1.00 0.00 C ATOM 345 O TRP A 21 15.755 3.800 -0.662 1.00 0.00 O ATOM 346 CB TRP A 21 15.171 1.024 -0.996 1.00 0.00 C ATOM 347 CG TRP A 21 14.282 -0.168 -1.134 1.00 0.00 C ATOM 348 CD1 TRP A 21 14.238 -0.985 -2.211 1.00 0.00 C ATOM 349 CD2 TRP A 21 13.307 -0.688 -0.185 1.00 0.00 C ATOM 350 NE1 TRP A 21 13.298 -1.975 -1.984 1.00 0.00 N ATOM 351 CE2 TRP A 21 12.696 -1.834 -0.750 1.00 0.00 C ATOM 352 CE3 TRP A 21 12.895 -0.279 1.097 1.00 0.00 C ATOM 353 CZ2 TRP A 21 11.713 -2.549 -0.064 1.00 0.00 C ATOM 354 CZ3 TRP A 21 11.906 -0.996 1.790 1.00 0.00 C ATOM 355 CH2 TRP A 21 11.316 -2.128 1.211 1.00 0.00 C ATOM 0 H TRP A 21 16.518 2.599 -3.073 1.00 0.00 H new ATOM 0 HA TRP A 21 13.722 1.894 -2.333 1.00 0.00 H new ATOM 0 HB2 TRP A 21 16.209 0.740 -1.169 1.00 0.00 H new ATOM 0 HB3 TRP A 21 15.113 1.420 0.018 1.00 0.00 H new ATOM 0 HD1 TRP A 21 14.838 -0.882 -3.103 1.00 0.00 H new ATOM 0 HE1 TRP A 21 13.077 -2.718 -2.647 1.00 0.00 H new ATOM 0 HE3 TRP A 21 13.343 0.593 1.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.262 -3.421 -0.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 11.599 -0.674 2.774 1.00 0.00 H new ATOM 0 HH2 TRP A 21 10.555 -2.675 1.748 1.00 0.00 H new ATOM 366 N LYS A 22 13.800 4.278 -1.541 1.00 0.00 N ATOM 367 CA LYS A 22 13.804 5.634 -0.924 1.00 0.00 C ATOM 368 C LYS A 22 12.449 5.893 -0.254 1.00 0.00 C ATOM 369 O LYS A 22 11.423 5.471 -0.754 1.00 0.00 O ATOM 370 CB LYS A 22 14.045 6.688 -2.009 1.00 0.00 C ATOM 371 CG LYS A 22 15.208 6.248 -2.901 1.00 0.00 C ATOM 372 CD LYS A 22 16.051 7.468 -3.280 1.00 0.00 C ATOM 373 CE LYS A 22 17.523 7.063 -3.371 1.00 0.00 C ATOM 374 NZ LYS A 22 17.636 5.760 -4.086 1.00 0.00 N ATOM 0 H LYS A 22 12.977 4.058 -2.102 1.00 0.00 H new ATOM 0 HA LYS A 22 14.597 5.692 -0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.144 6.821 -2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.269 7.652 -1.551 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.824 5.515 -2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.827 5.762 -3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.715 7.873 -4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.925 8.255 -2.537 1.00 0.00 H new ATOM 0 HE2 LYS A 22 18.090 7.830 -3.898 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.951 6.980 -2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.559 5.704 -4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.550 4.981 -3.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.877 5.685 -4.793 1.00 0.00 H new ATOM 388 N PRO A 23 12.482 6.584 0.860 1.00 0.00 N ATOM 389 CA PRO A 23 11.270 6.906 1.598 1.00 0.00 C ATOM 390 C PRO A 23 10.248 7.560 0.662 1.00 0.00 C ATOM 391 O PRO A 23 10.570 7.966 -0.436 1.00 0.00 O ATOM 392 CB PRO A 23 11.722 7.887 2.673 1.00 0.00 C ATOM 393 CG PRO A 23 13.240 7.570 2.848 1.00 0.00 C ATOM 394 CD PRO A 23 13.731 7.081 1.456 1.00 0.00 C ATOM 0 HA PRO A 23 10.790 6.026 2.026 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.562 8.920 2.365 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.173 7.743 3.603 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.790 8.455 3.169 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.395 6.805 3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.172 7.888 0.870 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.485 6.298 1.539 1.00 0.00 H new ATOM 402 N MET A 24 9.018 7.664 1.087 1.00 0.00 N ATOM 403 CA MET A 24 7.982 8.290 0.223 1.00 0.00 C ATOM 404 C MET A 24 6.658 8.367 0.982 1.00 0.00 C ATOM 405 O MET A 24 6.431 7.649 1.941 1.00 0.00 O ATOM 406 CB MET A 24 7.788 7.449 -1.039 1.00 0.00 C ATOM 407 CG MET A 24 7.060 6.150 -0.694 1.00 0.00 C ATOM 408 SD MET A 24 7.087 5.043 -2.126 1.00 0.00 S ATOM 409 CE MET A 24 5.718 5.805 -3.033 1.00 0.00 C ATOM 0 H MET A 24 8.687 7.342 1.996 1.00 0.00 H new ATOM 0 HA MET A 24 8.306 9.294 -0.052 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.216 8.012 -1.777 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.755 7.225 -1.489 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.537 5.669 0.160 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.031 6.363 -0.405 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.715 5.441 -4.061 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.774 5.545 -2.553 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.839 6.888 -3.032 1.00 0.00 H new ATOM 419 N TRP A 25 5.778 9.230 0.555 1.00 0.00 N ATOM 420 CA TRP A 25 4.465 9.356 1.240 1.00 0.00 C ATOM 421 C TRP A 25 3.473 8.399 0.598 1.00 0.00 C ATOM 422 O TRP A 25 3.497 8.167 -0.593 1.00 0.00 O ATOM 423 CB TRP A 25 3.951 10.791 1.110 1.00 0.00 C ATOM 424 CG TRP A 25 2.708 10.960 1.925 1.00 0.00 C ATOM 425 CD1 TRP A 25 1.451 11.013 1.425 1.00 0.00 C ATOM 426 CD2 TRP A 25 2.580 11.101 3.370 1.00 0.00 C ATOM 427 NE1 TRP A 25 0.561 11.184 2.471 1.00 0.00 N ATOM 428 CE2 TRP A 25 1.208 11.242 3.689 1.00 0.00 C ATOM 429 CE3 TRP A 25 3.513 11.121 4.423 1.00 0.00 C ATOM 430 CZ2 TRP A 25 0.778 11.400 5.010 1.00 0.00 C ATOM 431 CZ3 TRP A 25 3.086 11.276 5.753 1.00 0.00 C ATOM 432 CH2 TRP A 25 1.720 11.415 6.045 1.00 0.00 C ATOM 0 H TRP A 25 5.914 9.854 -0.241 1.00 0.00 H new ATOM 0 HA TRP A 25 4.580 9.112 2.296 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.715 11.492 1.445 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.745 11.020 0.064 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.186 10.935 0.381 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.450 11.258 2.356 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.566 11.016 4.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -0.274 11.510 5.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 3.811 11.288 6.553 1.00 0.00 H new ATOM 0 HH2 TRP A 25 1.396 11.534 7.068 1.00 0.00 H new ATOM 443 N VAL A 26 2.614 7.827 1.384 1.00 0.00 N ATOM 444 CA VAL A 26 1.635 6.868 0.822 1.00 0.00 C ATOM 445 C VAL A 26 0.352 6.895 1.654 1.00 0.00 C ATOM 446 O VAL A 26 0.372 7.164 2.838 1.00 0.00 O ATOM 447 CB VAL A 26 2.266 5.475 0.841 1.00 0.00 C ATOM 448 CG1 VAL A 26 3.100 5.309 2.107 1.00 0.00 C ATOM 449 CG2 VAL A 26 1.180 4.391 0.795 1.00 0.00 C ATOM 0 H VAL A 26 2.547 7.982 2.390 1.00 0.00 H new ATOM 0 HA VAL A 26 1.378 7.137 -0.203 1.00 0.00 H new ATOM 0 HB VAL A 26 2.904 5.368 -0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.549 4.316 2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.887 6.063 2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.461 5.429 2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.648 3.407 0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.526 4.494 1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.594 4.501 -0.118 1.00 0.00 H new ATOM 459 N VAL A 27 -0.766 6.625 1.039 1.00 0.00 N ATOM 460 CA VAL A 27 -2.050 6.644 1.792 1.00 0.00 C ATOM 461 C VAL A 27 -2.911 5.448 1.382 1.00 0.00 C ATOM 462 O VAL A 27 -3.282 5.298 0.232 1.00 0.00 O ATOM 463 CB VAL A 27 -2.802 7.939 1.478 1.00 0.00 C ATOM 464 CG1 VAL A 27 -2.116 9.113 2.181 1.00 0.00 C ATOM 465 CG2 VAL A 27 -2.795 8.176 -0.034 1.00 0.00 C ATOM 0 H VAL A 27 -0.845 6.392 0.049 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.841 6.588 2.860 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.830 7.857 1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.652 10.035 1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.119 8.944 3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.088 9.197 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.330 9.098 -0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.766 8.258 -0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.284 7.341 -0.536 1.00 0.00 H new ATOM 475 N LEU A 28 -3.240 4.600 2.321 1.00 0.00 N ATOM 476 CA LEU A 28 -4.089 3.420 1.998 1.00 0.00 C ATOM 477 C LEU A 28 -5.557 3.836 2.055 1.00 0.00 C ATOM 478 O LEU A 28 -6.110 4.033 3.118 1.00 0.00 O ATOM 479 CB LEU A 28 -3.842 2.308 3.021 1.00 0.00 C ATOM 480 CG LEU A 28 -2.393 2.359 3.493 1.00 0.00 C ATOM 481 CD1 LEU A 28 -2.071 1.097 4.295 1.00 0.00 C ATOM 482 CD2 LEU A 28 -1.473 2.439 2.276 1.00 0.00 C ATOM 0 H LEU A 28 -2.956 4.675 3.298 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.841 3.054 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.516 2.425 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.056 1.336 2.576 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.244 3.235 4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.035 1.134 4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.732 1.037 5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.216 0.219 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.435 2.476 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.623 1.561 1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.704 3.338 1.704 1.00 0.00 H new ATOM 494 N LEU A 29 -6.190 3.982 0.925 1.00 0.00 N ATOM 495 CA LEU A 29 -7.622 4.394 0.925 1.00 0.00 C ATOM 496 C LEU A 29 -8.515 3.156 0.797 1.00 0.00 C ATOM 497 O LEU A 29 -8.090 2.115 0.334 1.00 0.00 O ATOM 498 CB LEU A 29 -7.876 5.343 -0.249 1.00 0.00 C ATOM 499 CG LEU A 29 -7.181 6.681 0.020 1.00 0.00 C ATOM 500 CD1 LEU A 29 -5.993 6.839 -0.928 1.00 0.00 C ATOM 501 CD2 LEU A 29 -8.169 7.825 -0.212 1.00 0.00 C ATOM 0 H LEU A 29 -5.779 3.834 0.003 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.855 4.905 1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.500 4.905 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.947 5.497 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.830 6.705 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.499 7.791 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.287 6.025 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.345 6.814 -1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.674 8.777 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.520 7.799 -1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.018 7.715 0.463 1.00 0.00 H new ATOM 513 N GLU A 30 -9.748 3.260 1.213 1.00 0.00 N ATOM 514 CA GLU A 30 -10.673 2.092 1.130 1.00 0.00 C ATOM 515 C GLU A 30 -11.075 1.852 -0.327 1.00 0.00 C ATOM 516 O GLU A 30 -11.554 0.793 -0.680 1.00 0.00 O ATOM 517 CB GLU A 30 -11.924 2.374 1.965 1.00 0.00 C ATOM 518 CG GLU A 30 -12.192 1.192 2.901 1.00 0.00 C ATOM 519 CD GLU A 30 -13.493 0.500 2.491 1.00 0.00 C ATOM 520 OE1 GLU A 30 -14.304 1.140 1.843 1.00 0.00 O ATOM 521 OE2 GLU A 30 -13.658 -0.660 2.834 1.00 0.00 O ATOM 0 H GLU A 30 -10.157 4.107 1.608 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.169 1.205 1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.789 3.287 2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.781 2.535 1.312 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.363 0.486 2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.262 1.539 3.932 1.00 0.00 H new ATOM 528 N ASP A 31 -10.884 2.824 -1.175 1.00 0.00 N ATOM 529 CA ASP A 31 -11.256 2.642 -2.606 1.00 0.00 C ATOM 530 C ASP A 31 -9.996 2.363 -3.429 1.00 0.00 C ATOM 531 O ASP A 31 -10.040 2.286 -4.641 1.00 0.00 O ATOM 532 CB ASP A 31 -11.932 3.913 -3.124 1.00 0.00 C ATOM 533 CG ASP A 31 -10.920 5.059 -3.145 1.00 0.00 C ATOM 534 OD1 ASP A 31 -9.805 4.846 -2.700 1.00 0.00 O ATOM 535 OD2 ASP A 31 -11.277 6.131 -3.606 1.00 0.00 O ATOM 0 H ASP A 31 -10.488 3.734 -0.940 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.944 1.802 -2.698 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.327 3.745 -4.126 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.778 4.173 -2.487 1.00 0.00 H new ATOM 540 N GLY A 32 -8.873 2.212 -2.781 1.00 0.00 N ATOM 541 CA GLY A 32 -7.613 1.939 -3.529 1.00 0.00 C ATOM 542 C GLY A 32 -6.419 2.446 -2.720 1.00 0.00 C ATOM 543 O GLY A 32 -6.555 2.843 -1.580 1.00 0.00 O ATOM 0 H GLY A 32 -8.774 2.266 -1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.512 0.870 -3.715 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.641 2.430 -4.502 1.00 0.00 H new ATOM 547 N ILE A 33 -5.252 2.439 -3.302 1.00 0.00 N ATOM 548 CA ILE A 33 -4.050 2.925 -2.567 1.00 0.00 C ATOM 549 C ILE A 33 -3.258 3.873 -3.466 1.00 0.00 C ATOM 550 O ILE A 33 -2.847 3.516 -4.552 1.00 0.00 O ATOM 551 CB ILE A 33 -3.166 1.738 -2.183 1.00 0.00 C ATOM 552 CG1 ILE A 33 -4.044 0.560 -1.752 1.00 0.00 C ATOM 553 CG2 ILE A 33 -2.246 2.141 -1.028 1.00 0.00 C ATOM 554 CD1 ILE A 33 -4.630 0.833 -0.365 1.00 0.00 C ATOM 0 H ILE A 33 -5.078 2.118 -4.254 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.365 3.449 -1.665 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.564 1.442 -3.042 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.847 0.410 -2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.455 -0.357 -1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.615 1.296 -0.753 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.618 2.977 -1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.848 2.438 -0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.254 -0.008 -0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.820 0.961 0.353 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.234 1.740 -0.397 1.00 0.00 H new ATOM 566 N GLU A 34 -3.036 5.078 -3.022 1.00 0.00 N ATOM 567 CA GLU A 34 -2.265 6.045 -3.855 1.00 0.00 C ATOM 568 C GLU A 34 -1.147 6.649 -3.008 1.00 0.00 C ATOM 569 O GLU A 34 -1.381 7.150 -1.926 1.00 0.00 O ATOM 570 CB GLU A 34 -3.194 7.155 -4.353 1.00 0.00 C ATOM 571 CG GLU A 34 -4.017 7.701 -3.185 1.00 0.00 C ATOM 572 CD GLU A 34 -5.244 8.438 -3.726 1.00 0.00 C ATOM 573 OE1 GLU A 34 -6.040 7.805 -4.401 1.00 0.00 O ATOM 574 OE2 GLU A 34 -5.366 9.621 -3.458 1.00 0.00 O ATOM 0 H GLU A 34 -3.354 5.436 -2.121 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.837 5.530 -4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.609 7.956 -4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.856 6.768 -5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.328 6.885 -2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.410 8.377 -2.583 1.00 0.00 H new ATOM 581 N PHE A 35 0.067 6.598 -3.479 1.00 0.00 N ATOM 582 CA PHE A 35 1.188 7.164 -2.679 1.00 0.00 C ATOM 583 C PHE A 35 2.049 8.079 -3.548 1.00 0.00 C ATOM 584 O PHE A 35 2.233 7.844 -4.724 1.00 0.00 O ATOM 585 CB PHE A 35 2.048 6.023 -2.136 1.00 0.00 C ATOM 586 CG PHE A 35 2.356 5.044 -3.244 1.00 0.00 C ATOM 587 CD1 PHE A 35 3.232 5.409 -4.274 1.00 0.00 C ATOM 588 CD2 PHE A 35 1.771 3.772 -3.238 1.00 0.00 C ATOM 589 CE1 PHE A 35 3.523 4.501 -5.300 1.00 0.00 C ATOM 590 CE2 PHE A 35 2.061 2.863 -4.266 1.00 0.00 C ATOM 591 CZ PHE A 35 2.938 3.229 -5.296 1.00 0.00 C ATOM 0 H PHE A 35 0.331 6.192 -4.377 1.00 0.00 H new ATOM 0 HA PHE A 35 0.777 7.744 -1.853 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.974 6.419 -1.720 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.526 5.516 -1.325 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.683 6.390 -4.277 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.097 3.491 -2.442 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.199 4.782 -6.094 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.609 1.882 -4.264 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.163 2.529 -6.087 1.00 0.00 H new ATOM 601 N TYR A 36 2.590 9.114 -2.965 1.00 0.00 N ATOM 602 CA TYR A 36 3.457 10.045 -3.738 1.00 0.00 C ATOM 603 C TYR A 36 4.787 10.205 -2.998 1.00 0.00 C ATOM 604 O TYR A 36 5.233 9.312 -2.305 1.00 0.00 O ATOM 605 CB TYR A 36 2.795 11.426 -3.864 1.00 0.00 C ATOM 606 CG TYR A 36 1.301 11.332 -3.647 1.00 0.00 C ATOM 607 CD1 TYR A 36 0.791 10.989 -2.387 1.00 0.00 C ATOM 608 CD2 TYR A 36 0.425 11.606 -4.706 1.00 0.00 C ATOM 609 CE1 TYR A 36 -0.594 10.918 -2.188 1.00 0.00 C ATOM 610 CE2 TYR A 36 -0.960 11.534 -4.507 1.00 0.00 C ATOM 611 CZ TYR A 36 -1.469 11.191 -3.249 1.00 0.00 C ATOM 612 OH TYR A 36 -2.833 11.120 -3.052 1.00 0.00 O ATOM 0 H TYR A 36 2.467 9.355 -1.981 1.00 0.00 H new ATOM 0 HA TYR A 36 3.613 9.635 -4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.230 12.110 -3.135 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.997 11.842 -4.851 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.466 10.780 -1.570 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.818 11.873 -5.676 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.987 10.653 -1.218 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.635 11.743 -5.324 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.187 10.322 -3.498 1.00 0.00 H new ATOM 622 N LYS A 37 5.418 11.340 -3.130 1.00 0.00 N ATOM 623 CA LYS A 37 6.710 11.560 -2.422 1.00 0.00 C ATOM 624 C LYS A 37 6.443 12.351 -1.138 1.00 0.00 C ATOM 625 O LYS A 37 7.111 12.179 -0.138 1.00 0.00 O ATOM 626 CB LYS A 37 7.661 12.350 -3.324 1.00 0.00 C ATOM 627 CG LYS A 37 8.908 11.510 -3.612 1.00 0.00 C ATOM 628 CD LYS A 37 10.101 12.087 -2.847 1.00 0.00 C ATOM 629 CE LYS A 37 10.443 11.173 -1.669 1.00 0.00 C ATOM 630 NZ LYS A 37 10.096 11.856 -0.393 1.00 0.00 N ATOM 0 H LYS A 37 5.095 12.124 -3.697 1.00 0.00 H new ATOM 0 HA LYS A 37 7.166 10.601 -2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.162 12.610 -4.257 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.943 13.286 -2.842 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.739 10.475 -3.315 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.117 11.505 -4.682 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.961 12.180 -3.510 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.866 13.089 -2.487 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.895 10.235 -1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.504 10.925 -1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.436 11.287 0.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.545 12.794 -0.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.064 11.965 -0.327 1.00 0.00 H new ATOM 644 N LYS A 38 5.462 13.212 -1.162 1.00 0.00 N ATOM 645 CA LYS A 38 5.132 14.014 0.051 1.00 0.00 C ATOM 646 C LYS A 38 3.683 13.730 0.452 1.00 0.00 C ATOM 647 O LYS A 38 3.002 12.953 -0.187 1.00 0.00 O ATOM 648 CB LYS A 38 5.291 15.503 -0.264 1.00 0.00 C ATOM 649 CG LYS A 38 6.258 16.134 0.736 1.00 0.00 C ATOM 650 CD LYS A 38 6.345 17.640 0.487 1.00 0.00 C ATOM 651 CE LYS A 38 6.638 18.360 1.804 1.00 0.00 C ATOM 652 NZ LYS A 38 7.911 17.844 2.380 1.00 0.00 N ATOM 0 H LYS A 38 4.872 13.395 -1.974 1.00 0.00 H new ATOM 0 HA LYS A 38 5.802 13.745 0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.665 15.633 -1.280 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.323 16.002 -0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.920 15.943 1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.245 15.682 0.638 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.129 17.854 -0.239 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.409 18.004 0.062 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.712 19.434 1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.819 18.204 2.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.234 18.482 3.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.754 16.894 2.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.635 17.795 1.635 1.00 0.00 H new ATOM 666 N LYS A 39 3.198 14.350 1.497 1.00 0.00 N ATOM 667 CA LYS A 39 1.788 14.098 1.906 1.00 0.00 C ATOM 668 C LYS A 39 0.907 14.145 0.657 1.00 0.00 C ATOM 669 O LYS A 39 -0.124 13.506 0.582 1.00 0.00 O ATOM 670 CB LYS A 39 1.340 15.156 2.926 1.00 0.00 C ATOM 671 CG LYS A 39 -0.192 15.267 2.932 1.00 0.00 C ATOM 672 CD LYS A 39 -0.673 15.706 4.316 1.00 0.00 C ATOM 673 CE LYS A 39 -0.016 14.825 5.373 1.00 0.00 C ATOM 674 NZ LYS A 39 -1.022 14.442 6.404 1.00 0.00 N ATOM 0 H LYS A 39 3.712 15.012 2.078 1.00 0.00 H new ATOM 0 HA LYS A 39 1.701 13.119 2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.697 14.888 3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.781 16.121 2.678 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.517 15.985 2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.637 14.307 2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.420 16.752 4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.758 15.626 4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.400 13.932 4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.813 15.357 5.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.553 14.342 7.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.753 15.179 6.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.463 13.538 6.140 1.00 0.00 H new ATOM 688 N SER A 40 1.324 14.882 -0.337 1.00 0.00 N ATOM 689 CA SER A 40 0.535 14.955 -1.596 1.00 0.00 C ATOM 690 C SER A 40 1.374 15.600 -2.691 1.00 0.00 C ATOM 691 O SER A 40 1.128 16.721 -3.091 1.00 0.00 O ATOM 692 CB SER A 40 -0.731 15.789 -1.399 1.00 0.00 C ATOM 693 OG SER A 40 -0.966 15.975 -0.009 1.00 0.00 O ATOM 0 H SER A 40 2.180 15.437 -0.329 1.00 0.00 H new ATOM 0 HA SER A 40 0.256 13.940 -1.879 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.623 16.755 -1.893 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.584 15.289 -1.859 1.00 0.00 H new ATOM 0 HG SER A 40 -0.652 16.864 0.260 1.00 0.00 H new ATOM 699 N ASP A 41 2.341 14.897 -3.214 1.00 0.00 N ATOM 700 CA ASP A 41 3.154 15.483 -4.313 1.00 0.00 C ATOM 701 C ASP A 41 2.200 16.012 -5.381 1.00 0.00 C ATOM 702 O ASP A 41 2.566 16.817 -6.213 1.00 0.00 O ATOM 703 CB ASP A 41 4.062 14.411 -4.917 1.00 0.00 C ATOM 704 CG ASP A 41 4.824 14.998 -6.107 1.00 0.00 C ATOM 705 OD1 ASP A 41 5.797 15.696 -5.875 1.00 0.00 O ATOM 706 OD2 ASP A 41 4.421 14.741 -7.229 1.00 0.00 O ATOM 0 H ASP A 41 2.600 13.952 -2.931 1.00 0.00 H new ATOM 0 HA ASP A 41 3.777 16.291 -3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.763 14.048 -4.166 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.468 13.555 -5.238 1.00 0.00 H new ATOM 711 N ASN A 42 0.980 15.538 -5.353 1.00 0.00 N ATOM 712 CA ASN A 42 -0.049 15.961 -6.340 1.00 0.00 C ATOM 713 C ASN A 42 0.006 15.001 -7.526 1.00 0.00 C ATOM 714 O ASN A 42 -0.915 14.907 -8.311 1.00 0.00 O ATOM 715 CB ASN A 42 0.208 17.395 -6.815 1.00 0.00 C ATOM 716 CG ASN A 42 -1.085 17.981 -7.385 1.00 0.00 C ATOM 717 OD1 ASN A 42 -1.140 18.353 -8.540 1.00 0.00 O ATOM 718 ND2 ASN A 42 -2.135 18.080 -6.617 1.00 0.00 N ATOM 0 H ASN A 42 0.650 14.858 -4.668 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.034 15.936 -5.875 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.563 18.007 -5.985 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.990 17.404 -7.574 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.002 18.470 -6.986 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.089 17.768 -5.647 1.00 0.00 H new ATOM 725 N SER A 43 1.087 14.275 -7.648 1.00 0.00 N ATOM 726 CA SER A 43 1.216 13.304 -8.768 1.00 0.00 C ATOM 727 C SER A 43 1.702 11.960 -8.209 1.00 0.00 C ATOM 728 O SER A 43 2.888 11.756 -8.043 1.00 0.00 O ATOM 729 CB SER A 43 2.226 13.828 -9.789 1.00 0.00 C ATOM 730 OG SER A 43 2.018 13.173 -11.034 1.00 0.00 O ATOM 0 H SER A 43 1.887 14.315 -7.017 1.00 0.00 H new ATOM 0 HA SER A 43 0.250 13.174 -9.255 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.114 14.906 -9.909 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.242 13.650 -9.437 1.00 0.00 H new ATOM 0 HG SER A 43 2.663 13.508 -11.692 1.00 0.00 H new ATOM 736 N PRO A 44 0.766 11.089 -7.925 1.00 0.00 N ATOM 737 CA PRO A 44 1.075 9.778 -7.374 1.00 0.00 C ATOM 738 C PRO A 44 2.171 9.087 -8.191 1.00 0.00 C ATOM 739 O PRO A 44 2.175 9.126 -9.405 1.00 0.00 O ATOM 740 CB PRO A 44 -0.230 8.997 -7.482 1.00 0.00 C ATOM 741 CG PRO A 44 -1.328 10.105 -7.498 1.00 0.00 C ATOM 742 CD PRO A 44 -0.665 11.359 -8.139 1.00 0.00 C ATOM 0 HA PRO A 44 1.443 9.843 -6.350 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.260 8.392 -8.388 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.360 8.317 -6.640 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.196 9.785 -8.074 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.678 10.322 -6.489 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.909 11.454 -9.197 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.983 12.282 -7.654 1.00 0.00 H new ATOM 750 N LYS A 45 3.089 8.437 -7.529 1.00 0.00 N ATOM 751 CA LYS A 45 4.172 7.723 -8.258 1.00 0.00 C ATOM 752 C LYS A 45 3.703 6.294 -8.533 1.00 0.00 C ATOM 753 O LYS A 45 4.175 5.632 -9.437 1.00 0.00 O ATOM 754 CB LYS A 45 5.444 7.683 -7.401 1.00 0.00 C ATOM 755 CG LYS A 45 5.609 9.001 -6.637 1.00 0.00 C ATOM 756 CD LYS A 45 6.287 10.034 -7.537 1.00 0.00 C ATOM 757 CE LYS A 45 7.172 10.947 -6.687 1.00 0.00 C ATOM 758 NZ LYS A 45 7.215 12.306 -7.297 1.00 0.00 N ATOM 0 H LYS A 45 3.135 8.370 -6.512 1.00 0.00 H new ATOM 0 HA LYS A 45 4.393 8.240 -9.192 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.392 6.851 -6.699 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.313 7.511 -8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.636 9.369 -6.313 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.205 8.840 -5.738 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.887 9.533 -8.297 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.536 10.624 -8.062 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.783 11.005 -5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.179 10.535 -6.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.817 12.927 -6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.606 12.243 -8.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.253 12.698 -7.339 1.00 0.00 H new ATOM 772 N GLY A 46 2.770 5.818 -7.753 1.00 0.00 N ATOM 773 CA GLY A 46 2.253 4.436 -7.951 1.00 0.00 C ATOM 774 C GLY A 46 0.943 4.273 -7.176 1.00 0.00 C ATOM 775 O GLY A 46 0.776 4.813 -6.098 1.00 0.00 O ATOM 0 H GLY A 46 2.342 6.332 -6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.088 4.245 -9.011 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.987 3.707 -7.606 1.00 0.00 H new ATOM 779 N MET A 47 0.010 3.535 -7.714 1.00 0.00 N ATOM 780 CA MET A 47 -1.288 3.342 -7.006 1.00 0.00 C ATOM 781 C MET A 47 -1.684 1.866 -7.056 1.00 0.00 C ATOM 782 O MET A 47 -1.790 1.276 -8.112 1.00 0.00 O ATOM 783 CB MET A 47 -2.372 4.180 -7.686 1.00 0.00 C ATOM 784 CG MET A 47 -1.825 5.575 -7.992 1.00 0.00 C ATOM 785 SD MET A 47 -2.768 6.310 -9.350 1.00 0.00 S ATOM 786 CE MET A 47 -1.482 6.179 -10.617 1.00 0.00 C ATOM 0 H MET A 47 0.090 3.058 -8.612 1.00 0.00 H new ATOM 0 HA MET A 47 -1.182 3.656 -5.968 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.696 3.695 -8.607 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.247 4.255 -7.040 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.892 6.206 -7.106 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.770 5.513 -8.260 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.856 6.583 -11.558 1.00 0.00 H new ATOM 0 HE2 MET A 47 -0.604 6.743 -10.303 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.211 5.132 -10.754 1.00 0.00 H new ATOM 796 N ILE A 48 -1.904 1.266 -5.920 1.00 0.00 N ATOM 797 CA ILE A 48 -2.295 -0.171 -5.901 1.00 0.00 C ATOM 798 C ILE A 48 -3.826 -0.281 -5.920 1.00 0.00 C ATOM 799 O ILE A 48 -4.493 0.359 -5.133 1.00 0.00 O ATOM 800 CB ILE A 48 -1.760 -0.828 -4.626 1.00 0.00 C ATOM 801 CG1 ILE A 48 -0.294 -0.440 -4.429 1.00 0.00 C ATOM 802 CG2 ILE A 48 -1.873 -2.349 -4.748 1.00 0.00 C ATOM 803 CD1 ILE A 48 0.010 -0.336 -2.934 1.00 0.00 C ATOM 0 H ILE A 48 -1.830 1.708 -5.004 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.878 -0.673 -6.774 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.344 -0.488 -3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.355 -1.183 -4.892 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.090 0.512 -4.920 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.492 -2.816 -3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.918 -2.626 -4.888 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.290 -2.690 -5.604 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.055 -0.059 -2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.630 0.423 -2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.178 -1.298 -2.457 1.00 0.00 H new ATOM 815 N PRO A 49 -4.343 -1.087 -6.816 1.00 0.00 N ATOM 816 CA PRO A 49 -5.780 -1.277 -6.934 1.00 0.00 C ATOM 817 C PRO A 49 -6.304 -2.105 -5.757 1.00 0.00 C ATOM 818 O PRO A 49 -5.702 -3.083 -5.358 1.00 0.00 O ATOM 819 CB PRO A 49 -5.956 -2.037 -8.244 1.00 0.00 C ATOM 820 CG PRO A 49 -4.595 -2.779 -8.419 1.00 0.00 C ATOM 821 CD PRO A 49 -3.527 -1.858 -7.765 1.00 0.00 C ATOM 0 HA PRO A 49 -6.330 -0.336 -6.924 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.791 -2.736 -8.194 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.155 -1.362 -9.076 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.617 -3.756 -7.937 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.374 -2.948 -9.473 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.745 -2.429 -7.264 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.035 -1.218 -8.497 1.00 0.00 H new ATOM 829 N LEU A 50 -7.421 -1.726 -5.198 1.00 0.00 N ATOM 830 CA LEU A 50 -7.978 -2.497 -4.050 1.00 0.00 C ATOM 831 C LEU A 50 -8.873 -3.622 -4.573 1.00 0.00 C ATOM 832 O LEU A 50 -9.740 -4.112 -3.878 1.00 0.00 O ATOM 833 CB LEU A 50 -8.805 -1.566 -3.161 1.00 0.00 C ATOM 834 CG LEU A 50 -8.307 -1.664 -1.720 1.00 0.00 C ATOM 835 CD1 LEU A 50 -7.275 -0.565 -1.458 1.00 0.00 C ATOM 836 CD2 LEU A 50 -9.488 -1.491 -0.764 1.00 0.00 C ATOM 0 H LEU A 50 -7.971 -0.917 -5.486 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.158 -2.922 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.723 -0.539 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.859 -1.838 -3.212 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.846 -2.639 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.921 -0.636 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.434 -0.685 -2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.734 0.411 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.136 -1.560 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.947 -0.516 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.224 -2.273 -0.949 1.00 0.00 H new ATOM 848 N LYS A 51 -8.669 -4.039 -5.792 1.00 0.00 N ATOM 849 CA LYS A 51 -9.509 -5.133 -6.353 1.00 0.00 C ATOM 850 C LYS A 51 -8.827 -6.476 -6.089 1.00 0.00 C ATOM 851 O LYS A 51 -9.446 -7.520 -6.140 1.00 0.00 O ATOM 852 CB LYS A 51 -9.675 -4.930 -7.861 1.00 0.00 C ATOM 853 CG LYS A 51 -8.339 -5.184 -8.564 1.00 0.00 C ATOM 854 CD LYS A 51 -8.568 -5.281 -10.074 1.00 0.00 C ATOM 855 CE LYS A 51 -9.046 -3.929 -10.605 1.00 0.00 C ATOM 856 NZ LYS A 51 -9.857 -4.138 -11.839 1.00 0.00 N ATOM 0 H LYS A 51 -7.958 -3.670 -6.423 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.490 -5.121 -5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.436 -5.608 -8.248 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.018 -3.916 -8.066 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.640 -4.377 -8.342 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.890 -6.106 -8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.645 -5.575 -10.574 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.308 -6.051 -10.292 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.641 -3.419 -9.848 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.191 -3.289 -10.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.182 -3.219 -12.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.275 -4.608 -12.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.680 -4.733 -11.617 1.00 0.00 H new ATOM 870 N GLY A 52 -7.553 -6.456 -5.807 1.00 0.00 N ATOM 871 CA GLY A 52 -6.828 -7.729 -5.540 1.00 0.00 C ATOM 872 C GLY A 52 -5.569 -7.436 -4.723 1.00 0.00 C ATOM 873 O GLY A 52 -5.597 -7.405 -3.510 1.00 0.00 O ATOM 0 H GLY A 52 -6.983 -5.612 -5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.473 -8.421 -4.999 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.561 -8.212 -6.480 1.00 0.00 H new ATOM 877 N SER A 53 -4.466 -7.215 -5.387 1.00 0.00 N ATOM 878 CA SER A 53 -3.191 -6.914 -4.669 1.00 0.00 C ATOM 879 C SER A 53 -2.845 -8.035 -3.692 1.00 0.00 C ATOM 880 O SER A 53 -3.665 -8.497 -2.924 1.00 0.00 O ATOM 881 CB SER A 53 -3.323 -5.589 -3.920 1.00 0.00 C ATOM 882 OG SER A 53 -4.672 -5.145 -3.980 1.00 0.00 O ATOM 0 H SER A 53 -4.392 -7.230 -6.404 1.00 0.00 H new ATOM 0 HA SER A 53 -2.387 -6.837 -5.401 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.015 -5.713 -2.882 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.663 -4.842 -4.361 1.00 0.00 H new ATOM 0 HG SER A 53 -4.736 -4.374 -4.582 1.00 0.00 H new ATOM 888 N THR A 54 -1.619 -8.471 -3.723 1.00 0.00 N ATOM 889 CA THR A 54 -1.182 -9.556 -2.812 1.00 0.00 C ATOM 890 C THR A 54 -0.257 -8.955 -1.748 1.00 0.00 C ATOM 891 O THR A 54 0.186 -7.831 -1.867 1.00 0.00 O ATOM 892 CB THR A 54 -0.457 -10.640 -3.640 1.00 0.00 C ATOM 893 OG1 THR A 54 -0.866 -11.923 -3.190 1.00 0.00 O ATOM 894 CG2 THR A 54 1.063 -10.516 -3.501 1.00 0.00 C ATOM 0 H THR A 54 -0.895 -8.117 -4.348 1.00 0.00 H new ATOM 0 HA THR A 54 -2.034 -10.018 -2.313 1.00 0.00 H new ATOM 0 HB THR A 54 -0.719 -10.505 -4.690 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.410 -12.614 -3.714 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.547 -11.292 -4.094 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.382 -9.536 -3.855 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.343 -10.632 -2.454 1.00 0.00 H new ATOM 902 N LEU A 55 0.040 -9.687 -0.714 1.00 0.00 N ATOM 903 CA LEU A 55 0.937 -9.142 0.342 1.00 0.00 C ATOM 904 C LEU A 55 1.987 -10.197 0.698 1.00 0.00 C ATOM 905 O LEU A 55 1.703 -11.379 0.732 1.00 0.00 O ATOM 906 CB LEU A 55 0.103 -8.800 1.584 1.00 0.00 C ATOM 907 CG LEU A 55 0.933 -7.966 2.565 1.00 0.00 C ATOM 908 CD1 LEU A 55 1.963 -8.858 3.257 1.00 0.00 C ATOM 909 CD2 LEU A 55 1.654 -6.849 1.809 1.00 0.00 C ATOM 0 H LEU A 55 -0.297 -10.636 -0.553 1.00 0.00 H new ATOM 0 HA LEU A 55 1.434 -8.241 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.790 -8.248 1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.234 -9.716 2.069 1.00 0.00 H new ATOM 0 HG LEU A 55 0.271 -7.530 3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.551 -8.261 3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.450 -9.651 3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.623 -9.299 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.244 -6.257 2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.313 -7.285 1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.920 -6.208 1.320 1.00 0.00 H new ATOM 921 N THR A 56 3.200 -9.789 0.958 1.00 0.00 N ATOM 922 CA THR A 56 4.256 -10.781 1.301 1.00 0.00 C ATOM 923 C THR A 56 4.984 -10.347 2.576 1.00 0.00 C ATOM 924 O THR A 56 5.581 -9.291 2.632 1.00 0.00 O ATOM 925 CB THR A 56 5.260 -10.877 0.150 1.00 0.00 C ATOM 926 OG1 THR A 56 4.609 -11.396 -1.001 1.00 0.00 O ATOM 927 CG2 THR A 56 6.411 -11.800 0.548 1.00 0.00 C ATOM 0 H THR A 56 3.503 -8.815 0.948 1.00 0.00 H new ATOM 0 HA THR A 56 3.793 -11.754 1.465 1.00 0.00 H new ATOM 0 HB THR A 56 5.655 -9.885 -0.071 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.207 -12.022 -1.461 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.125 -11.867 -0.273 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.910 -11.400 1.431 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.021 -12.793 0.771 1.00 0.00 H new ATOM 935 N SER A 57 4.945 -11.156 3.598 1.00 0.00 N ATOM 936 CA SER A 57 5.638 -10.790 4.864 1.00 0.00 C ATOM 937 C SER A 57 6.236 -12.051 5.501 1.00 0.00 C ATOM 938 O SER A 57 5.520 -12.980 5.819 1.00 0.00 O ATOM 939 CB SER A 57 4.634 -10.158 5.829 1.00 0.00 C ATOM 940 OG SER A 57 5.320 -9.281 6.712 1.00 0.00 O ATOM 0 H SER A 57 4.463 -12.055 3.611 1.00 0.00 H new ATOM 0 HA SER A 57 6.435 -10.078 4.651 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.873 -9.611 5.273 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.119 -10.934 6.396 1.00 0.00 H new ATOM 0 HG SER A 57 4.679 -8.873 7.331 1.00 0.00 H new ATOM 946 N PRO A 58 7.535 -12.041 5.669 1.00 0.00 N ATOM 947 CA PRO A 58 8.367 -10.912 5.279 1.00 0.00 C ATOM 948 C PRO A 58 8.474 -10.838 3.753 1.00 0.00 C ATOM 949 O PRO A 58 7.670 -11.399 3.037 1.00 0.00 O ATOM 950 CB PRO A 58 9.716 -11.198 5.901 1.00 0.00 C ATOM 951 CG PRO A 58 9.735 -12.754 6.037 1.00 0.00 C ATOM 952 CD PRO A 58 8.255 -13.173 6.267 1.00 0.00 C ATOM 0 HA PRO A 58 7.960 -9.956 5.610 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.531 -10.840 5.272 1.00 0.00 H new ATOM 0 HB3 PRO A 58 9.823 -10.709 6.870 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.139 -13.221 5.139 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.365 -13.067 6.870 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.015 -14.117 5.777 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.023 -13.294 7.325 1.00 0.00 H new ATOM 960 N CYS A 59 9.461 -10.146 3.250 1.00 0.00 N ATOM 961 CA CYS A 59 9.613 -10.038 1.772 1.00 0.00 C ATOM 962 C CYS A 59 10.486 -11.187 1.262 1.00 0.00 C ATOM 963 O CYS A 59 10.495 -12.266 1.822 1.00 0.00 O ATOM 964 CB CYS A 59 10.274 -8.702 1.425 1.00 0.00 C ATOM 965 SG CYS A 59 12.016 -8.747 1.914 1.00 0.00 S ATOM 0 H CYS A 59 10.166 -9.653 3.798 1.00 0.00 H new ATOM 0 HA CYS A 59 8.632 -10.092 1.301 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.190 -8.509 0.355 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.762 -7.887 1.937 1.00 0.00 H new ATOM 0 HG CYS A 59 12.102 -8.951 3.195 1.00 0.00 H new ATOM 971 N GLN A 60 11.218 -10.968 0.204 1.00 0.00 N ATOM 972 CA GLN A 60 12.085 -12.051 -0.341 1.00 0.00 C ATOM 973 C GLN A 60 13.553 -11.701 -0.099 1.00 0.00 C ATOM 974 O GLN A 60 13.912 -11.190 0.943 1.00 0.00 O ATOM 975 CB GLN A 60 11.820 -12.204 -1.841 1.00 0.00 C ATOM 976 CG GLN A 60 12.033 -13.663 -2.251 1.00 0.00 C ATOM 977 CD GLN A 60 11.599 -13.853 -3.706 1.00 0.00 C ATOM 978 OE1 GLN A 60 11.391 -12.892 -4.420 1.00 0.00 O ATOM 979 NE2 GLN A 60 11.454 -15.060 -4.179 1.00 0.00 N ATOM 0 H GLN A 60 11.253 -10.086 -0.307 1.00 0.00 H new ATOM 0 HA GLN A 60 11.859 -12.992 0.160 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.801 -11.895 -2.074 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.488 -11.555 -2.407 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.082 -13.935 -2.135 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.459 -14.322 -1.600 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.629 -15.867 -3.580 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.166 -15.197 -5.148 1.00 0.00 H new ATOM 988 N ASP A 61 14.412 -11.962 -1.049 1.00 0.00 N ATOM 989 CA ASP A 61 15.851 -11.630 -0.859 1.00 0.00 C ATOM 990 C ASP A 61 16.086 -10.162 -1.225 1.00 0.00 C ATOM 991 O ASP A 61 17.174 -9.774 -1.601 1.00 0.00 O ATOM 992 CB ASP A 61 16.704 -12.526 -1.759 1.00 0.00 C ATOM 993 CG ASP A 61 16.915 -13.881 -1.081 1.00 0.00 C ATOM 994 OD1 ASP A 61 17.529 -13.905 -0.028 1.00 0.00 O ATOM 995 OD2 ASP A 61 16.459 -14.872 -1.628 1.00 0.00 O ATOM 0 H ASP A 61 14.178 -12.390 -1.945 1.00 0.00 H new ATOM 0 HA ASP A 61 16.129 -11.794 0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.214 -12.663 -2.723 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.666 -12.052 -1.955 1.00 0.00 H new ATOM 1000 N PHE A 62 15.076 -9.341 -1.108 1.00 0.00 N ATOM 1001 CA PHE A 62 15.249 -7.899 -1.440 1.00 0.00 C ATOM 1002 C PHE A 62 15.711 -7.167 -0.183 1.00 0.00 C ATOM 1003 O PHE A 62 16.819 -6.672 -0.110 1.00 0.00 O ATOM 1004 CB PHE A 62 13.911 -7.318 -1.904 1.00 0.00 C ATOM 1005 CG PHE A 62 14.153 -6.062 -2.705 1.00 0.00 C ATOM 1006 CD1 PHE A 62 14.878 -5.000 -2.146 1.00 0.00 C ATOM 1007 CD2 PHE A 62 13.654 -5.958 -4.010 1.00 0.00 C ATOM 1008 CE1 PHE A 62 15.102 -3.835 -2.892 1.00 0.00 C ATOM 1009 CE2 PHE A 62 13.877 -4.793 -4.755 1.00 0.00 C ATOM 1010 CZ PHE A 62 14.602 -3.732 -4.197 1.00 0.00 C ATOM 0 H PHE A 62 14.141 -9.607 -0.798 1.00 0.00 H new ATOM 0 HA PHE A 62 15.985 -7.783 -2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 62 13.376 -8.050 -2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.281 -7.096 -1.042 1.00 0.00 H new ATOM 0 HD1 PHE A 62 15.264 -5.080 -1.140 1.00 0.00 H new ATOM 0 HD2 PHE A 62 13.097 -6.776 -4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.660 -3.017 -2.461 1.00 0.00 H new ATOM 0 HE2 PHE A 62 13.490 -4.713 -5.760 1.00 0.00 H new ATOM 0 HZ PHE A 62 14.776 -2.835 -4.773 1.00 0.00 H new ATOM 1020 N GLY A 63 14.876 -7.114 0.815 1.00 0.00 N ATOM 1021 CA GLY A 63 15.270 -6.438 2.080 1.00 0.00 C ATOM 1022 C GLY A 63 15.653 -7.509 3.101 1.00 0.00 C ATOM 1023 O GLY A 63 16.630 -7.385 3.812 1.00 0.00 O ATOM 0 H GLY A 63 13.936 -7.510 0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.109 -5.764 1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.447 -5.831 2.458 1.00 0.00 H new ATOM 1027 N LYS A 64 14.893 -8.567 3.166 1.00 0.00 N ATOM 1028 CA LYS A 64 15.208 -9.657 4.129 1.00 0.00 C ATOM 1029 C LYS A 64 15.297 -9.079 5.543 1.00 0.00 C ATOM 1030 O LYS A 64 15.863 -9.680 6.436 1.00 0.00 O ATOM 1031 CB LYS A 64 16.542 -10.301 3.742 1.00 0.00 C ATOM 1032 CG LYS A 64 16.913 -11.373 4.771 1.00 0.00 C ATOM 1033 CD LYS A 64 17.709 -12.485 4.084 1.00 0.00 C ATOM 1034 CE LYS A 64 18.986 -12.764 4.879 1.00 0.00 C ATOM 1035 NZ LYS A 64 19.320 -14.215 4.789 1.00 0.00 N ATOM 0 H LYS A 64 14.065 -8.723 2.591 1.00 0.00 H new ATOM 0 HA LYS A 64 14.422 -10.412 4.102 1.00 0.00 H new ATOM 0 HB2 LYS A 64 16.468 -10.745 2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.323 -9.542 3.694 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.503 -10.932 5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.011 -11.784 5.225 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.105 -13.390 4.016 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.959 -12.191 3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 64 19.809 -12.165 4.488 1.00 0.00 H new ATOM 0 HE3 LYS A 64 18.849 -12.475 5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.188 -14.406 5.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 18.538 -14.776 5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 19.468 -14.476 3.793 1.00 0.00 H new ATOM 1049 N ARG A 65 14.733 -7.921 5.756 1.00 0.00 N ATOM 1050 CA ARG A 65 14.776 -7.309 7.114 1.00 0.00 C ATOM 1051 C ARG A 65 13.592 -7.824 7.937 1.00 0.00 C ATOM 1052 O ARG A 65 13.193 -8.965 7.815 1.00 0.00 O ATOM 1053 CB ARG A 65 14.694 -5.785 6.992 1.00 0.00 C ATOM 1054 CG ARG A 65 15.748 -5.291 6.001 1.00 0.00 C ATOM 1055 CD ARG A 65 16.986 -4.819 6.766 1.00 0.00 C ATOM 1056 NE ARG A 65 16.746 -3.453 7.306 1.00 0.00 N ATOM 1057 CZ ARG A 65 17.601 -2.919 8.134 1.00 0.00 C ATOM 1058 NH1 ARG A 65 18.794 -3.431 8.259 1.00 0.00 N ATOM 1059 NH2 ARG A 65 17.262 -1.873 8.836 1.00 0.00 N ATOM 0 H ARG A 65 14.244 -7.373 5.048 1.00 0.00 H new ATOM 0 HA ARG A 65 15.709 -7.580 7.608 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.699 -5.490 6.657 1.00 0.00 H new ATOM 0 HB3 ARG A 65 14.852 -5.323 7.967 1.00 0.00 H new ATOM 0 HG2 ARG A 65 16.017 -6.091 5.311 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.345 -4.475 5.402 1.00 0.00 H new ATOM 0 HD2 ARG A 65 17.209 -5.509 7.580 1.00 0.00 H new ATOM 0 HD3 ARG A 65 17.854 -4.813 6.106 1.00 0.00 H new ATOM 0 HE ARG A 65 15.913 -2.934 7.029 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.058 -4.249 7.709 1.00 0.00 H new ATOM 0 HH12 ARG A 65 19.463 -3.014 8.906 1.00 0.00 H new ATOM 0 HH21 ARG A 65 16.329 -1.473 8.737 1.00 0.00 H new ATOM 0 HH22 ARG A 65 17.930 -1.455 9.484 1.00 0.00 H new ATOM 1073 N MET A 66 13.026 -6.997 8.775 1.00 0.00 N ATOM 1074 CA MET A 66 11.872 -7.449 9.599 1.00 0.00 C ATOM 1075 C MET A 66 10.697 -6.487 9.419 1.00 0.00 C ATOM 1076 O MET A 66 9.624 -6.697 9.948 1.00 0.00 O ATOM 1077 CB MET A 66 12.282 -7.470 11.070 1.00 0.00 C ATOM 1078 CG MET A 66 13.004 -8.780 11.376 1.00 0.00 C ATOM 1079 SD MET A 66 12.744 -9.224 13.112 1.00 0.00 S ATOM 1080 CE MET A 66 13.909 -10.607 13.168 1.00 0.00 C ATOM 0 H MET A 66 13.314 -6.030 8.923 1.00 0.00 H new ATOM 0 HA MET A 66 11.573 -8.448 9.282 1.00 0.00 H new ATOM 0 HB2 MET A 66 12.932 -6.623 11.290 1.00 0.00 H new ATOM 0 HB3 MET A 66 11.402 -7.370 11.706 1.00 0.00 H new ATOM 0 HG2 MET A 66 12.631 -9.573 10.727 1.00 0.00 H new ATOM 0 HG3 MET A 66 14.070 -8.676 11.172 1.00 0.00 H new ATOM 0 HE1 MET A 66 13.911 -11.040 14.168 1.00 0.00 H new ATOM 0 HE2 MET A 66 13.609 -11.365 12.445 1.00 0.00 H new ATOM 0 HE3 MET A 66 14.910 -10.250 12.925 1.00 0.00 H new ATOM 1090 N PHE A 67 10.891 -5.430 8.684 1.00 0.00 N ATOM 1091 CA PHE A 67 9.783 -4.453 8.482 1.00 0.00 C ATOM 1092 C PHE A 67 9.618 -4.149 6.991 1.00 0.00 C ATOM 1093 O PHE A 67 9.255 -3.054 6.611 1.00 0.00 O ATOM 1094 CB PHE A 67 10.098 -3.151 9.228 1.00 0.00 C ATOM 1095 CG PHE A 67 10.983 -3.442 10.419 1.00 0.00 C ATOM 1096 CD1 PHE A 67 10.616 -4.432 11.339 1.00 0.00 C ATOM 1097 CD2 PHE A 67 12.170 -2.720 10.600 1.00 0.00 C ATOM 1098 CE1 PHE A 67 11.438 -4.701 12.442 1.00 0.00 C ATOM 1099 CE2 PHE A 67 12.992 -2.990 11.703 1.00 0.00 C ATOM 1100 CZ PHE A 67 12.625 -3.980 12.624 1.00 0.00 C ATOM 0 H PHE A 67 11.766 -5.199 8.214 1.00 0.00 H new ATOM 0 HA PHE A 67 8.860 -4.884 8.869 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.594 -2.449 8.558 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.173 -2.678 9.558 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.701 -4.988 11.199 1.00 0.00 H new ATOM 0 HD2 PHE A 67 12.451 -1.956 9.890 1.00 0.00 H new ATOM 0 HE1 PHE A 67 11.156 -5.465 13.152 1.00 0.00 H new ATOM 0 HE2 PHE A 67 13.908 -2.435 11.843 1.00 0.00 H new ATOM 0 HZ PHE A 67 13.258 -4.187 13.475 1.00 0.00 H new ATOM 1110 N VAL A 68 9.878 -5.105 6.139 1.00 0.00 N ATOM 1111 CA VAL A 68 9.727 -4.853 4.677 1.00 0.00 C ATOM 1112 C VAL A 68 8.860 -5.947 4.054 1.00 0.00 C ATOM 1113 O VAL A 68 9.158 -7.121 4.152 1.00 0.00 O ATOM 1114 CB VAL A 68 11.104 -4.852 4.009 1.00 0.00 C ATOM 1115 CG1 VAL A 68 11.880 -6.102 4.421 1.00 0.00 C ATOM 1116 CG2 VAL A 68 10.931 -4.848 2.489 1.00 0.00 C ATOM 0 H VAL A 68 10.187 -6.044 6.391 1.00 0.00 H new ATOM 0 HA VAL A 68 9.251 -3.884 4.527 1.00 0.00 H new ATOM 0 HB VAL A 68 11.653 -3.964 4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.859 -6.096 3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.005 -6.112 5.504 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.330 -6.990 4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.911 -4.847 2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.379 -5.737 2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.380 -3.957 2.188 1.00 0.00 H new ATOM 1126 N PHE A 69 7.789 -5.573 3.409 1.00 0.00 N ATOM 1127 CA PHE A 69 6.907 -6.596 2.778 1.00 0.00 C ATOM 1128 C PHE A 69 6.853 -6.365 1.265 1.00 0.00 C ATOM 1129 O PHE A 69 7.383 -5.398 0.753 1.00 0.00 O ATOM 1130 CB PHE A 69 5.495 -6.492 3.364 1.00 0.00 C ATOM 1131 CG PHE A 69 4.822 -5.240 2.855 1.00 0.00 C ATOM 1132 CD1 PHE A 69 4.329 -5.189 1.543 1.00 0.00 C ATOM 1133 CD2 PHE A 69 4.685 -4.130 3.697 1.00 0.00 C ATOM 1134 CE1 PHE A 69 3.705 -4.027 1.073 1.00 0.00 C ATOM 1135 CE2 PHE A 69 4.061 -2.967 3.227 1.00 0.00 C ATOM 1136 CZ PHE A 69 3.570 -2.916 1.913 1.00 0.00 C ATOM 0 H PHE A 69 7.487 -4.606 3.292 1.00 0.00 H new ATOM 0 HA PHE A 69 7.308 -7.590 2.978 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.910 -7.369 3.086 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.543 -6.473 4.453 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.431 -6.047 0.895 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.060 -4.170 4.709 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.328 -3.988 0.062 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.958 -2.110 3.876 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.088 -2.020 1.551 1.00 0.00 H new ATOM 1146 N LYS A 70 6.211 -7.249 0.548 1.00 0.00 N ATOM 1147 CA LYS A 70 6.115 -7.090 -0.930 1.00 0.00 C ATOM 1148 C LYS A 70 4.677 -7.366 -1.380 1.00 0.00 C ATOM 1149 O LYS A 70 4.108 -8.397 -1.079 1.00 0.00 O ATOM 1150 CB LYS A 70 7.067 -8.084 -1.606 1.00 0.00 C ATOM 1151 CG LYS A 70 6.690 -8.245 -3.083 1.00 0.00 C ATOM 1152 CD LYS A 70 6.043 -9.616 -3.297 1.00 0.00 C ATOM 1153 CE LYS A 70 7.132 -10.687 -3.378 1.00 0.00 C ATOM 1154 NZ LYS A 70 7.293 -11.124 -4.793 1.00 0.00 N ATOM 0 H LYS A 70 5.748 -8.076 0.925 1.00 0.00 H new ATOM 0 HA LYS A 70 6.391 -6.073 -1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.095 -7.732 -1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.017 -9.049 -1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.001 -7.455 -3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.577 -8.148 -3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.359 -9.839 -2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.453 -9.612 -4.213 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.074 -10.292 -2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.867 -11.538 -2.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.241 -11.530 -4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.575 -11.841 -5.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.176 -10.306 -5.424 1.00 0.00 H new ATOM 1168 N ILE A 71 4.088 -6.457 -2.110 1.00 0.00 N ATOM 1169 CA ILE A 71 2.694 -6.672 -2.589 1.00 0.00 C ATOM 1170 C ILE A 71 2.729 -6.997 -4.082 1.00 0.00 C ATOM 1171 O ILE A 71 3.704 -6.752 -4.763 1.00 0.00 O ATOM 1172 CB ILE A 71 1.866 -5.396 -2.354 1.00 0.00 C ATOM 1173 CG1 ILE A 71 1.307 -5.405 -0.931 1.00 0.00 C ATOM 1174 CG2 ILE A 71 0.699 -5.317 -3.354 1.00 0.00 C ATOM 1175 CD1 ILE A 71 1.001 -3.971 -0.493 1.00 0.00 C ATOM 0 H ILE A 71 4.513 -5.575 -2.395 1.00 0.00 H new ATOM 0 HA ILE A 71 2.237 -7.498 -2.043 1.00 0.00 H new ATOM 0 HB ILE A 71 2.513 -4.531 -2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.402 -6.010 -0.889 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.026 -5.859 -0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.125 -4.408 -3.172 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.092 -5.301 -4.371 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.053 -6.186 -3.228 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.602 -3.978 0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.916 -3.379 -0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.266 -3.533 -1.169 1.00 0.00 H new ATOM 1187 N THR A 72 1.661 -7.534 -4.595 1.00 0.00 N ATOM 1188 CA THR A 72 1.617 -7.861 -6.045 1.00 0.00 C ATOM 1189 C THR A 72 0.199 -7.632 -6.559 1.00 0.00 C ATOM 1190 O THR A 72 -0.683 -8.445 -6.368 1.00 0.00 O ATOM 1191 CB THR A 72 2.019 -9.317 -6.270 1.00 0.00 C ATOM 1192 OG1 THR A 72 3.346 -9.522 -5.807 1.00 0.00 O ATOM 1193 CG2 THR A 72 1.940 -9.627 -7.763 1.00 0.00 C ATOM 0 H THR A 72 0.815 -7.761 -4.073 1.00 0.00 H new ATOM 0 HA THR A 72 2.316 -7.221 -6.584 1.00 0.00 H new ATOM 0 HB THR A 72 1.346 -9.976 -5.722 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.602 -10.457 -5.951 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.225 -10.665 -7.935 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.920 -9.468 -8.114 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.618 -8.970 -8.307 1.00 0.00 H new ATOM 1201 N THR A 73 -0.031 -6.520 -7.193 1.00 0.00 N ATOM 1202 CA THR A 73 -1.401 -6.220 -7.704 1.00 0.00 C ATOM 1203 C THR A 73 -1.996 -7.469 -8.380 1.00 0.00 C ATOM 1204 O THR A 73 -1.793 -7.722 -9.551 1.00 0.00 O ATOM 1205 CB THR A 73 -1.378 -5.036 -8.693 1.00 0.00 C ATOM 1206 OG1 THR A 73 -1.511 -5.511 -10.024 1.00 0.00 O ATOM 1207 CG2 THR A 73 -0.077 -4.239 -8.569 1.00 0.00 C ATOM 0 H THR A 73 0.669 -5.802 -7.382 1.00 0.00 H new ATOM 0 HA THR A 73 -2.028 -5.939 -6.858 1.00 0.00 H new ATOM 0 HB THR A 73 -2.214 -4.380 -8.450 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.497 -4.753 -10.645 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.089 -3.411 -9.278 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.015 -3.848 -7.556 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.770 -4.890 -8.785 1.00 0.00 H new ATOM 1215 N THR A 74 -2.740 -8.247 -7.638 1.00 0.00 N ATOM 1216 CA THR A 74 -3.378 -9.479 -8.199 1.00 0.00 C ATOM 1217 C THR A 74 -2.388 -10.253 -9.087 1.00 0.00 C ATOM 1218 O THR A 74 -2.750 -10.824 -10.095 1.00 0.00 O ATOM 1219 CB THR A 74 -4.648 -9.095 -8.988 1.00 0.00 C ATOM 1220 OG1 THR A 74 -4.805 -9.943 -10.115 1.00 0.00 O ATOM 1221 CG2 THR A 74 -4.563 -7.640 -9.455 1.00 0.00 C ATOM 0 H THR A 74 -2.937 -8.079 -6.651 1.00 0.00 H new ATOM 0 HA THR A 74 -3.663 -10.135 -7.376 1.00 0.00 H new ATOM 0 HB THR A 74 -5.508 -9.212 -8.329 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.980 -9.941 -10.644 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.465 -7.383 -10.010 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.471 -6.985 -8.589 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.693 -7.515 -10.099 1.00 0.00 H new ATOM 1229 N LYS A 75 -1.141 -10.293 -8.702 1.00 0.00 N ATOM 1230 CA LYS A 75 -0.128 -11.044 -9.495 1.00 0.00 C ATOM 1231 C LYS A 75 0.317 -10.202 -10.681 1.00 0.00 C ATOM 1232 O LYS A 75 0.406 -10.682 -11.794 1.00 0.00 O ATOM 1233 CB LYS A 75 -0.730 -12.360 -9.996 1.00 0.00 C ATOM 1234 CG LYS A 75 0.282 -13.491 -9.801 1.00 0.00 C ATOM 1235 CD LYS A 75 0.181 -14.475 -10.968 1.00 0.00 C ATOM 1236 CE LYS A 75 -1.247 -15.016 -11.058 1.00 0.00 C ATOM 1237 NZ LYS A 75 -1.949 -14.375 -12.205 1.00 0.00 N ATOM 0 H LYS A 75 -0.779 -9.834 -7.866 1.00 0.00 H new ATOM 0 HA LYS A 75 0.732 -11.263 -8.862 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.649 -12.582 -9.453 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.996 -12.273 -11.050 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.291 -13.084 -9.742 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.090 -14.006 -8.860 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.453 -13.979 -11.900 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.884 -15.296 -10.827 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.230 -16.098 -11.187 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.783 -14.814 -10.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.491 -13.555 -11.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.250 -14.061 -12.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.597 -15.061 -12.643 1.00 0.00 H new ATOM 1251 N GLN A 76 0.599 -8.946 -10.466 1.00 0.00 N ATOM 1252 CA GLN A 76 1.032 -8.104 -11.604 1.00 0.00 C ATOM 1253 C GLN A 76 2.191 -7.195 -11.203 1.00 0.00 C ATOM 1254 O GLN A 76 3.343 -7.486 -11.458 1.00 0.00 O ATOM 1255 CB GLN A 76 -0.143 -7.256 -12.092 1.00 0.00 C ATOM 1256 CG GLN A 76 -0.455 -7.605 -13.549 1.00 0.00 C ATOM 1257 CD GLN A 76 -1.895 -7.205 -13.874 1.00 0.00 C ATOM 1258 OE1 GLN A 76 -2.126 -6.338 -14.694 1.00 0.00 O ATOM 1259 NE2 GLN A 76 -2.880 -7.803 -13.263 1.00 0.00 N ATOM 0 H GLN A 76 0.548 -8.476 -9.562 1.00 0.00 H new ATOM 0 HA GLN A 76 1.372 -8.759 -12.406 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.019 -7.436 -11.468 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.098 -6.197 -12.004 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.236 -7.087 -14.214 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.317 -8.673 -13.715 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.687 -8.531 -12.575 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.844 -7.543 -13.473 1.00 0.00 H new ATOM 1268 N GLN A 77 1.890 -6.089 -10.600 1.00 0.00 N ATOM 1269 CA GLN A 77 2.967 -5.136 -10.199 1.00 0.00 C ATOM 1270 C GLN A 77 3.456 -5.459 -8.787 1.00 0.00 C ATOM 1271 O GLN A 77 2.676 -5.622 -7.872 1.00 0.00 O ATOM 1272 CB GLN A 77 2.418 -3.707 -10.230 1.00 0.00 C ATOM 1273 CG GLN A 77 3.048 -2.942 -11.395 1.00 0.00 C ATOM 1274 CD GLN A 77 1.956 -2.208 -12.177 1.00 0.00 C ATOM 1275 OE1 GLN A 77 0.841 -2.079 -11.710 1.00 0.00 O ATOM 1276 NE2 GLN A 77 2.230 -1.721 -13.356 1.00 0.00 N ATOM 0 H GLN A 77 0.942 -5.796 -10.363 1.00 0.00 H new ATOM 0 HA GLN A 77 3.801 -5.228 -10.895 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.333 -3.725 -10.338 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.637 -3.202 -9.289 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.783 -2.229 -11.020 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.579 -3.632 -12.052 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.166 -1.829 -13.748 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.509 -1.232 -13.886 1.00 0.00 H new ATOM 1285 N ASP A 78 4.744 -5.546 -8.602 1.00 0.00 N ATOM 1286 CA ASP A 78 5.281 -5.853 -7.246 1.00 0.00 C ATOM 1287 C ASP A 78 5.693 -4.551 -6.556 1.00 0.00 C ATOM 1288 O ASP A 78 6.164 -3.625 -7.187 1.00 0.00 O ATOM 1289 CB ASP A 78 6.499 -6.770 -7.374 1.00 0.00 C ATOM 1290 CG ASP A 78 6.838 -7.362 -6.004 1.00 0.00 C ATOM 1291 OD1 ASP A 78 7.082 -6.589 -5.092 1.00 0.00 O ATOM 1292 OD2 ASP A 78 6.845 -8.576 -5.890 1.00 0.00 O ATOM 0 H ASP A 78 5.447 -5.418 -9.330 1.00 0.00 H new ATOM 0 HA ASP A 78 4.513 -6.352 -6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.293 -7.569 -8.086 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.350 -6.210 -7.761 1.00 0.00 H new ATOM 1297 N HIS A 79 5.520 -4.473 -5.265 1.00 0.00 N ATOM 1298 CA HIS A 79 5.901 -3.231 -4.533 1.00 0.00 C ATOM 1299 C HIS A 79 6.601 -3.604 -3.225 1.00 0.00 C ATOM 1300 O HIS A 79 5.987 -4.094 -2.300 1.00 0.00 O ATOM 1301 CB HIS A 79 4.644 -2.417 -4.222 1.00 0.00 C ATOM 1302 CG HIS A 79 4.148 -1.757 -5.480 1.00 0.00 C ATOM 1303 ND1 HIS A 79 4.830 -0.711 -6.083 1.00 0.00 N ATOM 1304 CD2 HIS A 79 3.042 -1.983 -6.259 1.00 0.00 C ATOM 1305 CE1 HIS A 79 4.133 -0.350 -7.176 1.00 0.00 C ATOM 1306 NE2 HIS A 79 3.034 -1.093 -7.329 1.00 0.00 N ATOM 0 H HIS A 79 5.131 -5.216 -4.685 1.00 0.00 H new ATOM 0 HA HIS A 79 6.576 -2.638 -5.151 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.871 -3.066 -3.810 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.864 -1.663 -3.466 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.292 -2.737 -6.071 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.426 0.443 -7.847 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.338 -1.023 -8.071 1.00 0.00 H new ATOM 1314 N PHE A 80 7.882 -3.375 -3.139 1.00 0.00 N ATOM 1315 CA PHE A 80 8.617 -3.716 -1.888 1.00 0.00 C ATOM 1316 C PHE A 80 8.844 -2.444 -1.070 1.00 0.00 C ATOM 1317 O PHE A 80 9.554 -1.550 -1.484 1.00 0.00 O ATOM 1318 CB PHE A 80 9.974 -4.334 -2.241 1.00 0.00 C ATOM 1319 CG PHE A 80 9.837 -5.208 -3.466 1.00 0.00 C ATOM 1320 CD1 PHE A 80 9.792 -4.627 -4.741 1.00 0.00 C ATOM 1321 CD2 PHE A 80 9.760 -6.600 -3.328 1.00 0.00 C ATOM 1322 CE1 PHE A 80 9.668 -5.438 -5.877 1.00 0.00 C ATOM 1323 CE2 PHE A 80 9.638 -7.411 -4.464 1.00 0.00 C ATOM 1324 CZ PHE A 80 9.592 -6.830 -5.738 1.00 0.00 C ATOM 0 H PHE A 80 8.452 -2.967 -3.880 1.00 0.00 H new ATOM 0 HA PHE A 80 8.031 -4.429 -1.308 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.705 -3.547 -2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.344 -4.924 -1.402 1.00 0.00 H new ATOM 0 HD1 PHE A 80 9.853 -3.554 -4.848 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.795 -7.048 -2.346 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.631 -4.990 -6.859 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.579 -8.484 -4.358 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.498 -7.455 -6.613 1.00 0.00 H new ATOM 1334 N PHE A 81 8.254 -2.352 0.093 1.00 0.00 N ATOM 1335 CA PHE A 81 8.457 -1.129 0.924 1.00 0.00 C ATOM 1336 C PHE A 81 8.508 -1.516 2.404 1.00 0.00 C ATOM 1337 O PHE A 81 7.832 -2.423 2.848 1.00 0.00 O ATOM 1338 CB PHE A 81 7.323 -0.111 0.633 1.00 0.00 C ATOM 1339 CG PHE A 81 6.332 0.012 1.779 1.00 0.00 C ATOM 1340 CD1 PHE A 81 6.748 0.474 3.038 1.00 0.00 C ATOM 1341 CD2 PHE A 81 4.984 -0.315 1.570 1.00 0.00 C ATOM 1342 CE1 PHE A 81 5.824 0.597 4.082 1.00 0.00 C ATOM 1343 CE2 PHE A 81 4.059 -0.184 2.615 1.00 0.00 C ATOM 1344 CZ PHE A 81 4.481 0.269 3.872 1.00 0.00 C ATOM 0 H PHE A 81 7.646 -3.063 0.500 1.00 0.00 H new ATOM 0 HA PHE A 81 9.406 -0.656 0.671 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.762 0.866 0.432 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.792 -0.414 -0.269 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.783 0.735 3.201 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.658 -0.668 0.603 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.149 0.946 5.051 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.021 -0.432 2.451 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.769 0.365 4.679 1.00 0.00 H new ATOM 1354 N GLN A 82 9.301 -0.817 3.171 1.00 0.00 N ATOM 1355 CA GLN A 82 9.395 -1.119 4.623 1.00 0.00 C ATOM 1356 C GLN A 82 8.900 0.093 5.419 1.00 0.00 C ATOM 1357 O GLN A 82 9.064 1.228 5.008 1.00 0.00 O ATOM 1358 CB GLN A 82 10.853 -1.424 4.991 1.00 0.00 C ATOM 1359 CG GLN A 82 11.658 -0.124 5.043 1.00 0.00 C ATOM 1360 CD GLN A 82 13.117 -0.413 4.685 1.00 0.00 C ATOM 1361 OE1 GLN A 82 13.827 0.460 4.226 1.00 0.00 O ATOM 1362 NE2 GLN A 82 13.599 -1.611 4.877 1.00 0.00 N ATOM 0 H GLN A 82 9.889 -0.048 2.850 1.00 0.00 H new ATOM 0 HA GLN A 82 8.780 -1.987 4.861 1.00 0.00 H new ATOM 0 HB2 GLN A 82 10.896 -1.928 5.957 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.288 -2.103 4.258 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.239 0.604 4.348 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.597 0.315 6.039 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.004 -2.344 5.262 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.571 -1.814 4.642 1.00 0.00 H new ATOM 1371 N ALA A 83 8.293 -0.139 6.551 1.00 0.00 N ATOM 1372 CA ALA A 83 7.784 0.993 7.375 1.00 0.00 C ATOM 1373 C ALA A 83 8.880 1.454 8.341 1.00 0.00 C ATOM 1374 O ALA A 83 10.049 1.458 8.006 1.00 0.00 O ATOM 1375 CB ALA A 83 6.558 0.534 8.167 1.00 0.00 C ATOM 0 H ALA A 83 8.127 -1.067 6.941 1.00 0.00 H new ATOM 0 HA ALA A 83 7.505 1.822 6.725 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.184 1.361 8.771 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.780 0.208 7.477 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.835 -0.295 8.819 1.00 0.00 H new ATOM 1381 N ALA A 84 8.518 1.849 9.531 1.00 0.00 N ATOM 1382 CA ALA A 84 9.546 2.316 10.504 1.00 0.00 C ATOM 1383 C ALA A 84 10.019 1.151 11.367 1.00 0.00 C ATOM 1384 O ALA A 84 11.181 0.800 11.381 1.00 0.00 O ATOM 1385 CB ALA A 84 8.943 3.400 11.399 1.00 0.00 C ATOM 0 H ALA A 84 7.557 1.869 9.871 1.00 0.00 H new ATOM 0 HA ALA A 84 10.397 2.721 9.956 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.693 3.743 12.111 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.616 4.239 10.785 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.089 2.992 11.940 1.00 0.00 H new ATOM 1391 N PHE A 85 9.123 0.563 12.092 1.00 0.00 N ATOM 1392 CA PHE A 85 9.501 -0.578 12.976 1.00 0.00 C ATOM 1393 C PHE A 85 8.501 -1.721 12.798 1.00 0.00 C ATOM 1394 O PHE A 85 7.522 -1.598 12.094 1.00 0.00 O ATOM 1395 CB PHE A 85 9.506 -0.128 14.445 1.00 0.00 C ATOM 1396 CG PHE A 85 8.731 1.161 14.599 1.00 0.00 C ATOM 1397 CD1 PHE A 85 9.386 2.393 14.470 1.00 0.00 C ATOM 1398 CD2 PHE A 85 7.358 1.123 14.868 1.00 0.00 C ATOM 1399 CE1 PHE A 85 8.666 3.588 14.610 1.00 0.00 C ATOM 1400 CE2 PHE A 85 6.638 2.317 15.010 1.00 0.00 C ATOM 1401 CZ PHE A 85 7.292 3.549 14.880 1.00 0.00 C ATOM 0 H PHE A 85 8.136 0.820 12.116 1.00 0.00 H new ATOM 0 HA PHE A 85 10.499 -0.920 12.703 1.00 0.00 H new ATOM 0 HB2 PHE A 85 9.065 -0.903 15.072 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.532 0.013 14.786 1.00 0.00 H new ATOM 0 HD1 PHE A 85 10.446 2.422 14.263 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.853 0.173 14.966 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.170 4.538 14.510 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.579 2.287 15.220 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.737 4.469 14.988 1.00 0.00 H new ATOM 1411 N LEU A 86 8.750 -2.833 13.432 1.00 0.00 N ATOM 1412 CA LEU A 86 7.825 -3.997 13.306 1.00 0.00 C ATOM 1413 C LEU A 86 6.373 -3.529 13.455 1.00 0.00 C ATOM 1414 O LEU A 86 5.520 -3.865 12.659 1.00 0.00 O ATOM 1415 CB LEU A 86 8.159 -5.027 14.400 1.00 0.00 C ATOM 1416 CG LEU A 86 6.929 -5.885 14.723 1.00 0.00 C ATOM 1417 CD1 LEU A 86 7.374 -7.211 15.338 1.00 0.00 C ATOM 1418 CD2 LEU A 86 6.037 -5.141 15.719 1.00 0.00 C ATOM 0 H LEU A 86 9.558 -2.987 14.035 1.00 0.00 H new ATOM 0 HA LEU A 86 7.946 -4.455 12.324 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.978 -5.665 14.069 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.498 -4.514 15.300 1.00 0.00 H new ATOM 0 HG LEU A 86 6.374 -6.078 13.805 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.498 -7.818 15.566 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.011 -7.744 14.632 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.931 -7.018 16.255 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.163 -5.750 15.949 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.596 -4.948 16.635 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.716 -4.195 15.284 1.00 0.00 H new ATOM 1430 N GLU A 87 6.078 -2.780 14.481 1.00 0.00 N ATOM 1431 CA GLU A 87 4.676 -2.320 14.686 1.00 0.00 C ATOM 1432 C GLU A 87 4.145 -1.668 13.406 1.00 0.00 C ATOM 1433 O GLU A 87 3.142 -2.082 12.858 1.00 0.00 O ATOM 1434 CB GLU A 87 4.630 -1.307 15.832 1.00 0.00 C ATOM 1435 CG GLU A 87 3.180 -0.896 16.092 1.00 0.00 C ATOM 1436 CD GLU A 87 3.033 0.612 15.887 1.00 0.00 C ATOM 1437 OE1 GLU A 87 3.964 1.328 16.216 1.00 0.00 O ATOM 1438 OE2 GLU A 87 1.993 1.026 15.401 1.00 0.00 O ATOM 0 H GLU A 87 6.746 -2.467 15.185 1.00 0.00 H new ATOM 0 HA GLU A 87 4.053 -3.180 14.934 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.063 -1.741 16.733 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.228 -0.431 15.581 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.512 -1.432 15.418 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.891 -1.166 17.108 1.00 0.00 H new ATOM 1445 N GLU A 88 4.803 -0.647 12.930 1.00 0.00 N ATOM 1446 CA GLU A 88 4.329 0.034 11.690 1.00 0.00 C ATOM 1447 C GLU A 88 4.386 -0.941 10.512 1.00 0.00 C ATOM 1448 O GLU A 88 3.763 -0.732 9.490 1.00 0.00 O ATOM 1449 CB GLU A 88 5.225 1.240 11.396 1.00 0.00 C ATOM 1450 CG GLU A 88 4.445 2.263 10.569 1.00 0.00 C ATOM 1451 CD GLU A 88 5.151 3.618 10.635 1.00 0.00 C ATOM 1452 OE1 GLU A 88 5.112 4.235 11.687 1.00 0.00 O ATOM 1453 OE2 GLU A 88 5.719 4.018 9.631 1.00 0.00 O ATOM 0 H GLU A 88 5.648 -0.254 13.345 1.00 0.00 H new ATOM 0 HA GLU A 88 3.301 0.368 11.833 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.563 1.692 12.329 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.116 0.922 10.855 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.371 1.929 9.534 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.427 2.353 10.948 1.00 0.00 H new ATOM 1460 N ARG A 89 5.129 -2.003 10.646 1.00 0.00 N ATOM 1461 CA ARG A 89 5.227 -2.992 9.535 1.00 0.00 C ATOM 1462 C ARG A 89 3.922 -3.782 9.440 1.00 0.00 C ATOM 1463 O ARG A 89 3.197 -3.689 8.469 1.00 0.00 O ATOM 1464 CB ARG A 89 6.385 -3.954 9.809 1.00 0.00 C ATOM 1465 CG ARG A 89 6.429 -5.023 8.714 1.00 0.00 C ATOM 1466 CD ARG A 89 6.881 -6.354 9.319 1.00 0.00 C ATOM 1467 NE ARG A 89 5.698 -7.085 9.852 1.00 0.00 N ATOM 1468 CZ ARG A 89 5.861 -8.173 10.557 1.00 0.00 C ATOM 1469 NH1 ARG A 89 7.064 -8.601 10.834 1.00 0.00 N ATOM 1470 NH2 ARG A 89 4.821 -8.833 10.987 1.00 0.00 N ATOM 0 H ARG A 89 5.674 -2.230 11.478 1.00 0.00 H new ATOM 0 HA ARG A 89 5.404 -2.467 8.596 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.328 -3.407 9.837 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.260 -4.423 10.785 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.445 -5.134 8.259 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.114 -4.720 7.922 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.384 -6.957 8.563 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.602 -6.177 10.117 1.00 0.00 H new ATOM 0 HE ARG A 89 4.758 -6.735 9.666 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.878 -8.086 10.500 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.189 -9.451 11.385 1.00 0.00 H new ATOM 0 HH21 ARG A 89 3.881 -8.500 10.773 1.00 0.00 H new ATOM 0 HH22 ARG A 89 4.948 -9.682 11.537 1.00 0.00 H new ATOM 1484 N ASP A 90 3.616 -4.561 10.440 1.00 0.00 N ATOM 1485 CA ASP A 90 2.357 -5.356 10.408 1.00 0.00 C ATOM 1486 C ASP A 90 1.159 -4.406 10.442 1.00 0.00 C ATOM 1487 O ASP A 90 0.034 -4.802 10.213 1.00 0.00 O ATOM 1488 CB ASP A 90 2.309 -6.283 11.623 1.00 0.00 C ATOM 1489 CG ASP A 90 1.069 -7.176 11.537 1.00 0.00 C ATOM 1490 OD1 ASP A 90 0.409 -7.141 10.512 1.00 0.00 O ATOM 1491 OD2 ASP A 90 0.801 -7.879 12.497 1.00 0.00 O ATOM 0 H ASP A 90 4.184 -4.681 11.279 1.00 0.00 H new ATOM 0 HA ASP A 90 2.324 -5.953 9.496 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.209 -6.896 11.661 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.284 -5.696 12.541 1.00 0.00 H new ATOM 1496 N ALA A 91 1.392 -3.153 10.722 1.00 0.00 N ATOM 1497 CA ALA A 91 0.266 -2.179 10.762 1.00 0.00 C ATOM 1498 C ALA A 91 -0.061 -1.737 9.335 1.00 0.00 C ATOM 1499 O ALA A 91 -1.209 -1.614 8.959 1.00 0.00 O ATOM 1500 CB ALA A 91 0.672 -0.962 11.595 1.00 0.00 C ATOM 0 H ALA A 91 2.312 -2.762 10.924 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.610 -2.646 11.212 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.152 -0.249 11.624 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.913 -1.279 12.610 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.545 -0.489 11.146 1.00 0.00 H new ATOM 1506 N TRP A 92 0.945 -1.507 8.537 1.00 0.00 N ATOM 1507 CA TRP A 92 0.709 -1.081 7.137 1.00 0.00 C ATOM 1508 C TRP A 92 0.285 -2.299 6.310 1.00 0.00 C ATOM 1509 O TRP A 92 -0.467 -2.190 5.362 1.00 0.00 O ATOM 1510 CB TRP A 92 2.011 -0.512 6.578 1.00 0.00 C ATOM 1511 CG TRP A 92 2.054 0.967 6.796 1.00 0.00 C ATOM 1512 CD1 TRP A 92 2.457 1.569 7.938 1.00 0.00 C ATOM 1513 CD2 TRP A 92 1.694 2.036 5.874 1.00 0.00 C ATOM 1514 NE1 TRP A 92 2.368 2.941 7.776 1.00 0.00 N ATOM 1515 CE2 TRP A 92 1.901 3.277 6.522 1.00 0.00 C ATOM 1516 CE3 TRP A 92 1.212 2.049 4.553 1.00 0.00 C ATOM 1517 CZ2 TRP A 92 1.639 4.489 5.879 1.00 0.00 C ATOM 1518 CZ3 TRP A 92 0.947 3.267 3.904 1.00 0.00 C ATOM 1519 CH2 TRP A 92 1.160 4.484 4.566 1.00 0.00 C ATOM 0 H TRP A 92 1.926 -1.598 8.801 1.00 0.00 H new ATOM 0 HA TRP A 92 -0.075 -0.324 7.096 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.864 -0.985 7.065 1.00 0.00 H new ATOM 0 HB3 TRP A 92 2.088 -0.734 5.514 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.793 1.062 8.830 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.617 3.620 8.495 1.00 0.00 H new ATOM 0 HE3 TRP A 92 1.044 1.117 4.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.806 5.424 6.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.577 3.265 2.889 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.954 5.417 4.062 1.00 0.00 H new ATOM 1530 N VAL A 93 0.769 -3.458 6.668 1.00 0.00 N ATOM 1531 CA VAL A 93 0.406 -4.691 5.913 1.00 0.00 C ATOM 1532 C VAL A 93 -1.059 -5.045 6.183 1.00 0.00 C ATOM 1533 O VAL A 93 -1.776 -5.476 5.303 1.00 0.00 O ATOM 1534 CB VAL A 93 1.310 -5.844 6.365 1.00 0.00 C ATOM 1535 CG1 VAL A 93 2.753 -5.350 6.468 1.00 0.00 C ATOM 1536 CG2 VAL A 93 0.853 -6.355 7.734 1.00 0.00 C ATOM 0 H VAL A 93 1.403 -3.604 7.454 1.00 0.00 H new ATOM 0 HA VAL A 93 0.541 -4.521 4.845 1.00 0.00 H new ATOM 0 HB VAL A 93 1.249 -6.653 5.637 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.396 -6.169 6.789 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.084 -4.989 5.494 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.809 -4.539 7.194 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.499 -7.174 8.051 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.910 -5.546 8.462 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.176 -6.709 7.665 1.00 0.00 H new ATOM 1546 N ARG A 94 -1.509 -4.870 7.397 1.00 0.00 N ATOM 1547 CA ARG A 94 -2.925 -5.203 7.719 1.00 0.00 C ATOM 1548 C ARG A 94 -3.843 -4.080 7.236 1.00 0.00 C ATOM 1549 O ARG A 94 -5.030 -4.270 7.061 1.00 0.00 O ATOM 1550 CB ARG A 94 -3.079 -5.374 9.234 1.00 0.00 C ATOM 1551 CG ARG A 94 -2.865 -4.029 9.931 1.00 0.00 C ATOM 1552 CD ARG A 94 -3.927 -3.840 11.016 1.00 0.00 C ATOM 1553 NE ARG A 94 -3.513 -2.733 11.924 1.00 0.00 N ATOM 1554 CZ ARG A 94 -3.896 -2.733 13.173 1.00 0.00 C ATOM 1555 NH1 ARG A 94 -5.020 -2.162 13.511 1.00 0.00 N ATOM 1556 NH2 ARG A 94 -3.154 -3.304 14.082 1.00 0.00 N ATOM 0 H ARG A 94 -0.958 -4.512 8.177 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.199 -6.132 7.218 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.071 -5.761 9.467 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.358 -6.104 9.602 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.869 -3.991 10.372 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.924 -3.218 9.205 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -4.891 -3.611 10.561 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -4.053 -4.763 11.583 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.930 -1.975 11.570 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.599 -1.716 12.800 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -5.319 -2.162 14.486 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -2.276 -3.750 13.817 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -3.452 -3.304 15.057 1.00 0.00 H new ATOM 1570 N ASP A 95 -3.311 -2.908 7.022 1.00 0.00 N ATOM 1571 CA ASP A 95 -4.167 -1.781 6.556 1.00 0.00 C ATOM 1572 C ASP A 95 -4.456 -1.931 5.060 1.00 0.00 C ATOM 1573 O ASP A 95 -5.596 -1.999 4.646 1.00 0.00 O ATOM 1574 CB ASP A 95 -3.455 -0.454 6.809 1.00 0.00 C ATOM 1575 CG ASP A 95 -4.475 0.684 6.748 1.00 0.00 C ATOM 1576 OD1 ASP A 95 -4.708 1.186 5.661 1.00 0.00 O ATOM 1577 OD2 ASP A 95 -5.005 1.035 7.790 1.00 0.00 O ATOM 0 H ASP A 95 -2.324 -2.683 7.149 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.108 -1.797 7.107 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.967 -0.469 7.784 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -2.674 -0.299 6.064 1.00 0.00 H new ATOM 1582 N ILE A 96 -3.440 -1.982 4.240 1.00 0.00 N ATOM 1583 CA ILE A 96 -3.684 -2.127 2.776 1.00 0.00 C ATOM 1584 C ILE A 96 -4.369 -3.479 2.522 1.00 0.00 C ATOM 1585 O ILE A 96 -5.201 -3.608 1.646 1.00 0.00 O ATOM 1586 CB ILE A 96 -2.342 -2.040 2.015 1.00 0.00 C ATOM 1587 CG1 ILE A 96 -2.106 -0.590 1.572 1.00 0.00 C ATOM 1588 CG2 ILE A 96 -2.368 -2.938 0.770 1.00 0.00 C ATOM 1589 CD1 ILE A 96 -0.601 -0.295 1.519 1.00 0.00 C ATOM 0 H ILE A 96 -2.460 -1.930 4.518 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.331 -1.326 2.419 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.543 -2.372 2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.552 -0.424 0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.595 0.095 2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.414 -2.863 0.247 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.537 -3.972 1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.171 -2.617 0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.443 0.736 1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.166 -0.443 2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.123 -0.969 0.808 1.00 0.00 H new ATOM 1601 N ASN A 97 -4.021 -4.483 3.281 1.00 0.00 N ATOM 1602 CA ASN A 97 -4.646 -5.823 3.081 1.00 0.00 C ATOM 1603 C ASN A 97 -6.083 -5.814 3.605 1.00 0.00 C ATOM 1604 O ASN A 97 -6.943 -6.494 3.083 1.00 0.00 O ATOM 1605 CB ASN A 97 -3.835 -6.878 3.835 1.00 0.00 C ATOM 1606 CG ASN A 97 -3.989 -8.231 3.139 1.00 0.00 C ATOM 1607 OD1 ASN A 97 -4.211 -8.291 1.946 1.00 0.00 O ATOM 1608 ND2 ASN A 97 -3.880 -9.328 3.838 1.00 0.00 N ATOM 0 H ASN A 97 -3.331 -4.434 4.031 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.657 -6.058 2.017 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.784 -6.591 3.867 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.178 -6.947 4.867 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.981 -10.235 3.383 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.694 -9.278 4.840 1.00 0.00 H new ATOM 1615 N LYS A 98 -6.354 -5.057 4.633 1.00 0.00 N ATOM 1616 CA LYS A 98 -7.741 -5.021 5.175 1.00 0.00 C ATOM 1617 C LYS A 98 -8.657 -4.307 4.179 1.00 0.00 C ATOM 1618 O LYS A 98 -9.643 -4.854 3.726 1.00 0.00 O ATOM 1619 CB LYS A 98 -7.755 -4.272 6.508 1.00 0.00 C ATOM 1620 CG LYS A 98 -9.165 -4.315 7.099 1.00 0.00 C ATOM 1621 CD LYS A 98 -9.629 -2.894 7.421 1.00 0.00 C ATOM 1622 CE LYS A 98 -9.326 -2.577 8.887 1.00 0.00 C ATOM 1623 NZ LYS A 98 -8.144 -1.672 8.967 1.00 0.00 N ATOM 0 H LYS A 98 -5.679 -4.465 5.118 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.094 -6.040 5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.045 -4.725 7.200 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.442 -3.238 6.361 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.852 -4.782 6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.173 -4.925 8.002 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.124 -2.179 6.772 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.698 -2.797 7.231 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.191 -2.105 9.354 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.130 -3.498 9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.938 -1.457 9.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.320 -2.138 8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.348 -0.789 8.457 1.00 0.00 H new ATOM 1637 N ALA A 99 -8.339 -3.089 3.833 1.00 0.00 N ATOM 1638 CA ALA A 99 -9.192 -2.344 2.863 1.00 0.00 C ATOM 1639 C ALA A 99 -9.407 -3.204 1.617 1.00 0.00 C ATOM 1640 O ALA A 99 -10.495 -3.283 1.084 1.00 0.00 O ATOM 1641 CB ALA A 99 -8.498 -1.038 2.471 1.00 0.00 C ATOM 0 H ALA A 99 -7.527 -2.578 4.179 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.155 -2.117 3.321 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -9.121 -0.493 1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.342 -0.428 3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.535 -1.261 2.011 1.00 0.00 H new ATOM 1647 N ILE A 100 -8.374 -3.852 1.150 1.00 0.00 N ATOM 1648 CA ILE A 100 -8.513 -4.710 -0.059 1.00 0.00 C ATOM 1649 C ILE A 100 -9.552 -5.803 0.212 1.00 0.00 C ATOM 1650 O ILE A 100 -10.467 -6.008 -0.561 1.00 0.00 O ATOM 1651 CB ILE A 100 -7.160 -5.352 -0.380 1.00 0.00 C ATOM 1652 CG1 ILE A 100 -6.237 -4.304 -1.004 1.00 0.00 C ATOM 1653 CG2 ILE A 100 -7.354 -6.509 -1.363 1.00 0.00 C ATOM 1654 CD1 ILE A 100 -4.790 -4.792 -0.927 1.00 0.00 C ATOM 0 H ILE A 100 -7.438 -3.823 1.555 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.838 -4.105 -0.906 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.715 -5.733 0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -6.518 -4.128 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.340 -3.354 -0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.388 -6.962 -1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.011 -7.257 -0.919 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.801 -6.133 -2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.130 -4.047 -1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.513 -4.946 0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.694 -5.732 -1.471 1.00 0.00 H new ATOM 1666 N LYS A 101 -9.416 -6.505 1.303 1.00 0.00 N ATOM 1667 CA LYS A 101 -10.394 -7.584 1.621 1.00 0.00 C ATOM 1668 C LYS A 101 -11.773 -6.971 1.869 1.00 0.00 C ATOM 1669 O LYS A 101 -12.768 -7.665 1.952 1.00 0.00 O ATOM 1670 CB LYS A 101 -9.936 -8.338 2.870 1.00 0.00 C ATOM 1671 CG LYS A 101 -9.542 -9.766 2.489 1.00 0.00 C ATOM 1672 CD LYS A 101 -9.575 -10.654 3.734 1.00 0.00 C ATOM 1673 CE LYS A 101 -11.015 -11.095 4.008 1.00 0.00 C ATOM 1674 NZ LYS A 101 -11.178 -11.384 5.461 1.00 0.00 N ATOM 0 H LYS A 101 -8.671 -6.379 1.988 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.453 -8.277 0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.089 -7.826 3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.736 -8.355 3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.226 -10.154 1.734 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.544 -9.774 2.050 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.938 -11.526 3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.180 -10.110 4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.711 -10.314 3.701 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.253 -11.982 3.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.156 -11.684 5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.524 -12.143 5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.968 -10.527 6.011 1.00 0.00 H new ATOM 1688 N CYS A 102 -11.840 -5.676 1.987 1.00 0.00 N ATOM 1689 CA CYS A 102 -13.154 -5.013 2.225 1.00 0.00 C ATOM 1690 C CYS A 102 -13.761 -4.599 0.884 1.00 0.00 C ATOM 1691 O CYS A 102 -14.964 -4.530 0.729 1.00 0.00 O ATOM 1692 CB CYS A 102 -12.951 -3.772 3.098 1.00 0.00 C ATOM 1693 SG CYS A 102 -14.115 -3.810 4.482 1.00 0.00 S ATOM 0 H CYS A 102 -11.041 -5.045 1.929 1.00 0.00 H new ATOM 0 HA CYS A 102 -13.825 -5.706 2.732 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -11.927 -3.740 3.471 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -13.103 -2.869 2.506 1.00 0.00 H new ATOM 0 HG CYS A 102 -13.941 -2.757 5.224 1.00 0.00 H new ATOM 1699 N ILE A 103 -12.933 -4.324 -0.087 1.00 0.00 N ATOM 1700 CA ILE A 103 -13.452 -3.915 -1.422 1.00 0.00 C ATOM 1701 C ILE A 103 -13.934 -5.160 -2.175 1.00 0.00 C ATOM 1702 O ILE A 103 -14.892 -5.112 -2.922 1.00 0.00 O ATOM 1703 CB ILE A 103 -12.327 -3.219 -2.202 1.00 0.00 C ATOM 1704 CG1 ILE A 103 -12.248 -1.751 -1.774 1.00 0.00 C ATOM 1705 CG2 ILE A 103 -12.599 -3.288 -3.707 1.00 0.00 C ATOM 1706 CD1 ILE A 103 -13.573 -1.052 -2.085 1.00 0.00 C ATOM 0 H ILE A 103 -11.917 -4.365 -0.012 1.00 0.00 H new ATOM 0 HA ILE A 103 -14.288 -3.224 -1.310 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.385 -3.724 -1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.032 -1.684 -0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.431 -1.253 -2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.793 -2.790 -4.246 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -12.654 -4.331 -4.019 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -13.544 -2.792 -3.929 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.514 -0.007 -1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.770 -1.106 -3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -14.380 -1.544 -1.542 1.00 0.00 H new ATOM 1718 N GLU A 104 -13.284 -6.276 -1.980 1.00 0.00 N ATOM 1719 CA GLU A 104 -13.714 -7.519 -2.682 1.00 0.00 C ATOM 1720 C GLU A 104 -15.018 -8.028 -2.062 1.00 0.00 C ATOM 1721 O GLU A 104 -15.611 -8.979 -2.530 1.00 0.00 O ATOM 1722 CB GLU A 104 -12.630 -8.590 -2.539 1.00 0.00 C ATOM 1723 CG GLU A 104 -11.292 -8.036 -3.032 1.00 0.00 C ATOM 1724 CD GLU A 104 -10.382 -9.193 -3.447 1.00 0.00 C ATOM 1725 OE1 GLU A 104 -10.908 -10.239 -3.793 1.00 0.00 O ATOM 1726 OE2 GLU A 104 -9.176 -9.015 -3.413 1.00 0.00 O ATOM 0 H GLU A 104 -12.476 -6.380 -1.366 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.872 -7.303 -3.739 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.545 -8.899 -1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.902 -9.476 -3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.453 -7.365 -3.876 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.817 -7.450 -2.245 1.00 0.00 H new ATOM 1733 N GLY A 105 -15.470 -7.395 -1.014 1.00 0.00 N ATOM 1734 CA GLY A 105 -16.736 -7.832 -0.362 1.00 0.00 C ATOM 1735 C GLY A 105 -17.599 -6.606 -0.067 1.00 0.00 C ATOM 1736 O GLY A 105 -18.565 -6.672 0.666 1.00 0.00 O ATOM 0 H GLY A 105 -15.015 -6.592 -0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -17.274 -8.522 -1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -16.517 -8.368 0.561 1.00 0.00 H new ATOM 1740 N LEU A 106 -17.252 -5.486 -0.635 1.00 0.00 N ATOM 1741 CA LEU A 106 -18.041 -4.246 -0.399 1.00 0.00 C ATOM 1742 C LEU A 106 -19.016 -4.044 -1.554 1.00 0.00 C ATOM 1743 O LEU A 106 -19.018 -3.025 -2.216 1.00 0.00 O ATOM 1744 CB LEU A 106 -17.096 -3.047 -0.307 1.00 0.00 C ATOM 1745 CG LEU A 106 -17.076 -2.519 1.128 1.00 0.00 C ATOM 1746 CD1 LEU A 106 -16.230 -1.247 1.192 1.00 0.00 C ATOM 1747 CD2 LEU A 106 -18.506 -2.202 1.573 1.00 0.00 C ATOM 0 H LEU A 106 -16.451 -5.376 -1.256 1.00 0.00 H new ATOM 0 HA LEU A 106 -18.596 -4.337 0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -16.091 -3.339 -0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -17.421 -2.262 -0.990 1.00 0.00 H new ATOM 0 HG LEU A 106 -16.647 -3.274 1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -16.216 -0.871 2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -15.212 -1.471 0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -16.658 -0.492 0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -18.494 -1.825 2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -18.933 -1.447 0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -19.111 -3.108 1.527 1.00 0.00 H new