USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 684 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 Single : A 5 ASN : amide:sc= -3.19! C(o=-3.2!,f=-4.2!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.324 K(o=-0.32,f=-1.2) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.492 F(o=-3.4!,f=-0.49) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -75:sc= 0.87 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.385 USER MOD Single : A 33 LYS NZ :NH3+ 153:sc= -0.126 (180deg=-0.809) USER MOD Single : A 35 TYR OH : rot -114:sc= -1.84 USER MOD Single : A 39 SER OG : rot -77:sc= 1.02 USER MOD Single : A 42 MET CE :methyl -144:sc= -0.202 (180deg=-0.252) USER MOD Single : A 43 MET CE :methyl 174:sc= 0 (180deg=-0.028) USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= -0.0145 (180deg=-0.287) USER MOD Single : A 47 SER OG : rot 26:sc= 0.103 USER MOD Single : A 50 HIS : no HD1:sc= -2.81 K(o=-2.8,f=-3.9!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN :FLIP amide:sc= -1.56 F(o=-4.5!,f=-1.6) USER MOD Single : A 69 THR OG1 : rot 36:sc= 0.125 USER MOD Single : A 73 HIS : no HD1:sc= -0.914! C(o=-0.91!,f=-4.6!) USER MOD Single : A 75 HIS : no HD1:sc=-0.00479 X(o=-0.0048,f=-0.076) USER MOD Single : A 76 ASN : amide:sc= -0.349 K(o=-0.35,f=-3.4!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0.415 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -120:sc= -2.16! USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.37 K(o=-0.37,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 41 N ASP A 4 -20.073 -3.581 -3.250 1.00 0.00 N ATOM 42 CA ASP A 4 -19.019 -4.565 -2.864 1.00 0.00 C ATOM 43 C ASP A 4 -17.758 -4.307 -3.693 1.00 0.00 C ATOM 44 O ASP A 4 -17.831 -3.976 -4.860 1.00 0.00 O ATOM 45 CB ASP A 4 -19.523 -5.984 -3.136 1.00 0.00 C ATOM 46 CG ASP A 4 -20.839 -6.211 -2.390 1.00 0.00 C ATOM 47 OD1 ASP A 4 -20.843 -6.065 -1.178 1.00 0.00 O ATOM 48 OD2 ASP A 4 -21.820 -6.529 -3.041 1.00 0.00 O ATOM 0 HA ASP A 4 -18.789 -4.457 -1.804 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -19.670 -6.130 -4.206 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -18.780 -6.713 -2.814 1.00 0.00 H new ATOM 53 N ASN A 5 -16.602 -4.457 -3.102 1.00 0.00 N ATOM 54 CA ASN A 5 -15.336 -4.221 -3.855 1.00 0.00 C ATOM 55 C ASN A 5 -14.189 -4.957 -3.160 1.00 0.00 C ATOM 56 O ASN A 5 -13.888 -4.713 -2.006 1.00 0.00 O ATOM 57 CB ASN A 5 -15.035 -2.720 -3.887 1.00 0.00 C ATOM 58 CG ASN A 5 -16.044 -2.014 -4.794 1.00 0.00 C ATOM 59 OD1 ASN A 5 -17.100 -1.612 -4.351 1.00 0.00 O ATOM 60 ND2 ASN A 5 -15.762 -1.847 -6.058 1.00 0.00 N ATOM 0 H ASN A 5 -16.480 -4.733 -2.128 1.00 0.00 H new ATOM 0 HA ASN A 5 -15.442 -4.592 -4.875 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -15.085 -2.307 -2.879 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -14.022 -2.550 -4.251 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -16.429 -1.379 -6.672 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -14.875 -2.184 -6.432 1.00 0.00 H new ATOM 67 N GLU A 6 -13.547 -5.862 -3.854 1.00 0.00 N ATOM 68 CA GLU A 6 -12.419 -6.621 -3.238 1.00 0.00 C ATOM 69 C GLU A 6 -11.574 -7.273 -4.337 1.00 0.00 C ATOM 70 O GLU A 6 -12.048 -7.547 -5.422 1.00 0.00 O ATOM 71 CB GLU A 6 -12.980 -7.707 -2.316 1.00 0.00 C ATOM 72 CG GLU A 6 -13.912 -8.624 -3.109 1.00 0.00 C ATOM 73 CD GLU A 6 -14.587 -9.612 -2.157 1.00 0.00 C ATOM 74 OE1 GLU A 6 -13.953 -10.593 -1.805 1.00 0.00 O ATOM 75 OE2 GLU A 6 -15.727 -9.371 -1.795 1.00 0.00 O ATOM 0 H GLU A 6 -13.756 -6.108 -4.822 1.00 0.00 H new ATOM 0 HA GLU A 6 -11.796 -5.937 -2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.165 -8.287 -1.883 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.521 -7.250 -1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.665 -8.032 -3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.348 -9.163 -3.870 1.00 0.00 H new ATOM 82 N ILE A 7 -10.320 -7.527 -4.058 1.00 0.00 N ATOM 83 CA ILE A 7 -9.421 -8.165 -5.070 1.00 0.00 C ATOM 84 C ILE A 7 -8.356 -8.985 -4.333 1.00 0.00 C ATOM 85 O ILE A 7 -8.167 -8.834 -3.142 1.00 0.00 O ATOM 86 CB ILE A 7 -8.753 -7.092 -5.937 1.00 0.00 C ATOM 87 CG1 ILE A 7 -7.995 -6.107 -5.039 1.00 0.00 C ATOM 88 CG2 ILE A 7 -9.826 -6.344 -6.741 1.00 0.00 C ATOM 89 CD1 ILE A 7 -7.431 -4.960 -5.885 1.00 0.00 C ATOM 0 H ILE A 7 -9.876 -7.318 -3.164 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.004 -8.816 -5.721 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.051 -7.563 -6.625 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.662 -5.712 -4.273 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.185 -6.622 -4.522 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.352 -5.581 -7.358 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.359 -7.048 -7.380 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.530 -5.871 -6.056 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.894 -4.263 -5.242 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.749 -5.362 -6.634 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.249 -4.438 -6.382 1.00 0.00 H new ATOM 101 N SER A 8 -7.668 -9.859 -5.026 1.00 0.00 N ATOM 102 CA SER A 8 -6.619 -10.705 -4.363 1.00 0.00 C ATOM 103 C SER A 8 -5.407 -10.849 -5.280 1.00 0.00 C ATOM 104 O SER A 8 -5.506 -10.759 -6.488 1.00 0.00 O ATOM 105 CB SER A 8 -7.197 -12.089 -4.071 1.00 0.00 C ATOM 106 OG SER A 8 -7.470 -12.754 -5.297 1.00 0.00 O ATOM 0 H SER A 8 -7.786 -10.026 -6.025 1.00 0.00 H new ATOM 0 HA SER A 8 -6.310 -10.228 -3.433 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.493 -12.672 -3.477 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.110 -11.997 -3.483 1.00 0.00 H new ATOM 0 HG SER A 8 -7.839 -13.643 -5.112 1.00 0.00 H new ATOM 112 N VAL A 9 -4.258 -11.078 -4.700 1.00 0.00 N ATOM 113 CA VAL A 9 -3.010 -11.241 -5.504 1.00 0.00 C ATOM 114 C VAL A 9 -2.086 -12.214 -4.773 1.00 0.00 C ATOM 115 O VAL A 9 -1.321 -11.830 -3.911 1.00 0.00 O ATOM 116 CB VAL A 9 -2.311 -9.886 -5.647 1.00 0.00 C ATOM 117 CG1 VAL A 9 -1.051 -10.051 -6.499 1.00 0.00 C ATOM 118 CG2 VAL A 9 -3.257 -8.887 -6.320 1.00 0.00 C ATOM 0 H VAL A 9 -4.130 -11.160 -3.691 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.252 -11.624 -6.495 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.037 -9.514 -4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.552 -9.087 -6.602 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.376 -10.759 -6.018 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.325 -10.424 -7.486 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.757 -7.924 -6.421 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.534 -9.257 -7.307 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.154 -8.769 -5.712 1.00 0.00 H new ATOM 128 N GLY A 10 -2.156 -13.474 -5.103 1.00 0.00 N ATOM 129 CA GLY A 10 -1.289 -14.474 -4.416 1.00 0.00 C ATOM 130 C GLY A 10 -1.878 -14.784 -3.039 1.00 0.00 C ATOM 131 O GLY A 10 -2.959 -15.326 -2.927 1.00 0.00 O ATOM 0 H GLY A 10 -2.776 -13.855 -5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.222 -15.385 -5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.276 -14.086 -4.313 1.00 0.00 H new ATOM 135 N ASN A 11 -1.173 -14.443 -1.988 1.00 0.00 N ATOM 136 CA ASN A 11 -1.679 -14.712 -0.603 1.00 0.00 C ATOM 137 C ASN A 11 -2.250 -13.425 0.001 1.00 0.00 C ATOM 138 O ASN A 11 -2.613 -13.387 1.162 1.00 0.00 O ATOM 139 CB ASN A 11 -0.519 -15.201 0.269 1.00 0.00 C ATOM 140 CG ASN A 11 0.652 -14.223 0.155 1.00 0.00 C ATOM 141 OD1 ASN A 11 0.664 -13.194 0.800 1.00 0.00 O ATOM 142 ND2 ASN A 11 1.643 -14.504 -0.644 1.00 0.00 N ATOM 0 H ASN A 11 -0.262 -13.986 -2.029 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.461 -15.470 -0.646 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.840 -15.282 1.308 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.207 -16.197 -0.047 1.00 0.00 H new ATOM 0 HD21 ASN A 11 2.429 -13.859 -0.728 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.632 -15.368 -1.185 1.00 0.00 H new ATOM 149 N LEU A 12 -2.316 -12.363 -0.771 1.00 0.00 N ATOM 150 CA LEU A 12 -2.849 -11.065 -0.243 1.00 0.00 C ATOM 151 C LEU A 12 -4.293 -10.873 -0.708 1.00 0.00 C ATOM 152 O LEU A 12 -4.563 -10.743 -1.886 1.00 0.00 O ATOM 153 CB LEU A 12 -1.995 -9.908 -0.778 1.00 0.00 C ATOM 154 CG LEU A 12 -0.505 -10.191 -0.545 1.00 0.00 C ATOM 155 CD1 LEU A 12 0.322 -9.065 -1.173 1.00 0.00 C ATOM 156 CD2 LEU A 12 -0.210 -10.263 0.965 1.00 0.00 C ATOM 0 H LEU A 12 -2.022 -12.341 -1.748 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.814 -11.080 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.183 -9.771 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.277 -8.979 -0.282 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.243 -11.145 -1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.382 -9.259 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.120 -9.019 -2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.053 -8.115 -0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.850 -10.464 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.471 -9.313 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.800 -11.062 1.413 1.00 0.00 H new ATOM 168 N ARG A 13 -5.217 -10.837 0.219 1.00 0.00 N ATOM 169 CA ARG A 13 -6.661 -10.633 -0.125 1.00 0.00 C ATOM 170 C ARG A 13 -7.065 -9.229 0.337 1.00 0.00 C ATOM 171 O ARG A 13 -6.930 -8.889 1.493 1.00 0.00 O ATOM 172 CB ARG A 13 -7.499 -11.700 0.592 1.00 0.00 C ATOM 173 CG ARG A 13 -7.467 -13.013 -0.199 1.00 0.00 C ATOM 174 CD ARG A 13 -8.334 -14.056 0.507 1.00 0.00 C ATOM 175 NE ARG A 13 -9.768 -13.672 0.386 1.00 0.00 N ATOM 176 CZ ARG A 13 -10.686 -14.373 0.995 1.00 0.00 C ATOM 177 NH1 ARG A 13 -10.347 -15.410 1.713 1.00 0.00 N ATOM 178 NH2 ARG A 13 -11.942 -14.037 0.887 1.00 0.00 N ATOM 0 H ARG A 13 -5.030 -10.942 1.216 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.827 -10.724 -1.198 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.112 -11.863 1.598 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.528 -11.355 0.698 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.832 -12.848 -1.213 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.442 -13.374 -0.284 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.171 -15.039 0.066 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.053 -14.128 1.558 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.033 -12.861 -0.173 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.365 -15.672 1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.064 -15.957 2.189 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.207 -13.227 0.327 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.659 -14.585 1.363 1.00 0.00 H new ATOM 192 N LEU A 14 -7.537 -8.406 -0.572 1.00 0.00 N ATOM 193 CA LEU A 14 -7.931 -7.000 -0.215 1.00 0.00 C ATOM 194 C LEU A 14 -9.458 -6.874 -0.189 1.00 0.00 C ATOM 195 O LEU A 14 -10.142 -7.333 -1.084 1.00 0.00 O ATOM 196 CB LEU A 14 -7.354 -6.054 -1.281 1.00 0.00 C ATOM 197 CG LEU A 14 -7.846 -4.610 -1.080 1.00 0.00 C ATOM 198 CD1 LEU A 14 -7.514 -4.124 0.338 1.00 0.00 C ATOM 199 CD2 LEU A 14 -7.151 -3.705 -2.103 1.00 0.00 C ATOM 0 H LEU A 14 -7.668 -8.649 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.544 -6.743 0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.265 -6.078 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.642 -6.403 -2.273 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.927 -4.576 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.868 -3.101 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.002 -4.770 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.435 -4.156 0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.492 -2.678 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.072 -3.751 -1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.395 -4.041 -3.111 1.00 0.00 H new ATOM 211 N ASN A 15 -9.993 -6.235 0.829 1.00 0.00 N ATOM 212 CA ASN A 15 -11.482 -6.045 0.934 1.00 0.00 C ATOM 213 C ASN A 15 -11.772 -4.571 1.260 1.00 0.00 C ATOM 214 O ASN A 15 -11.722 -4.153 2.399 1.00 0.00 O ATOM 215 CB ASN A 15 -12.036 -6.945 2.060 1.00 0.00 C ATOM 216 CG ASN A 15 -12.341 -8.349 1.521 1.00 0.00 C ATOM 217 OD1 ASN A 15 -11.704 -8.787 0.471 1.00 0.00 O flip ATOM 218 ND2 ASN A 15 -13.171 -9.051 2.063 1.00 0.00 N flip ATOM 0 H ASN A 15 -9.458 -5.833 1.599 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.960 -6.315 -0.008 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.312 -7.010 2.872 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.942 -6.503 2.475 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.670 -8.709 2.884 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.369 -9.982 1.697 1.00 0.00 H new ATOM 225 N VAL A 16 -12.080 -3.786 0.261 1.00 0.00 N ATOM 226 CA VAL A 16 -12.378 -2.343 0.496 1.00 0.00 C ATOM 227 C VAL A 16 -13.732 -2.211 1.185 1.00 0.00 C ATOM 228 O VAL A 16 -13.985 -1.270 1.911 1.00 0.00 O ATOM 229 CB VAL A 16 -12.430 -1.617 -0.847 1.00 0.00 C ATOM 230 CG1 VAL A 16 -12.626 -0.119 -0.612 1.00 0.00 C ATOM 231 CG2 VAL A 16 -11.117 -1.848 -1.601 1.00 0.00 C ATOM 0 H VAL A 16 -12.138 -4.085 -0.713 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.602 -1.907 1.125 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.262 -2.003 -1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.663 0.398 -1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.560 0.046 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.795 0.269 -0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.152 -1.331 -2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.286 -1.462 -1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.977 -2.916 -1.770 1.00 0.00 H new ATOM 241 N THR A 17 -14.602 -3.148 0.961 1.00 0.00 N ATOM 242 CA THR A 17 -15.949 -3.094 1.594 1.00 0.00 C ATOM 243 C THR A 17 -15.807 -3.188 3.117 1.00 0.00 C ATOM 244 O THR A 17 -16.285 -2.344 3.846 1.00 0.00 O ATOM 245 CB THR A 17 -16.806 -4.270 1.077 1.00 0.00 C ATOM 246 OG1 THR A 17 -17.705 -4.690 2.096 1.00 0.00 O ATOM 247 CG2 THR A 17 -15.903 -5.448 0.679 1.00 0.00 C ATOM 0 H THR A 17 -14.440 -3.957 0.362 1.00 0.00 H new ATOM 0 HA THR A 17 -16.434 -2.152 1.337 1.00 0.00 H new ATOM 0 HB THR A 17 -17.369 -3.939 0.204 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.249 -5.435 1.766 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.518 -6.271 0.316 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.218 -5.132 -0.108 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.331 -5.777 1.547 1.00 0.00 H new ATOM 255 N ARG A 18 -15.149 -4.208 3.603 1.00 0.00 N ATOM 256 CA ARG A 18 -14.971 -4.357 5.080 1.00 0.00 C ATOM 257 C ARG A 18 -13.727 -3.583 5.503 1.00 0.00 C ATOM 258 O ARG A 18 -13.474 -3.377 6.673 1.00 0.00 O ATOM 259 CB ARG A 18 -14.792 -5.838 5.424 1.00 0.00 C ATOM 260 CG ARG A 18 -15.932 -6.649 4.805 1.00 0.00 C ATOM 261 CD ARG A 18 -15.813 -8.111 5.236 1.00 0.00 C ATOM 262 NE ARG A 18 -16.118 -8.227 6.690 1.00 0.00 N ATOM 263 CZ ARG A 18 -15.853 -9.335 7.327 1.00 0.00 C ATOM 264 NH1 ARG A 18 -15.319 -10.343 6.692 1.00 0.00 N ATOM 265 NH2 ARG A 18 -16.122 -9.436 8.601 1.00 0.00 N ATOM 0 H ARG A 18 -14.726 -4.946 3.040 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.846 -3.970 5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.833 -6.195 5.050 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.782 -5.972 6.506 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -16.893 -6.243 5.120 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.896 -6.575 3.718 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -16.501 -8.729 4.659 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.808 -8.480 5.034 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.534 -7.440 7.188 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.108 -10.265 5.697 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.112 -11.208 7.191 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.539 -8.649 9.098 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.915 -10.302 9.099 1.00 0.00 H new ATOM 279 N ARG A 19 -12.947 -3.161 4.548 1.00 0.00 N ATOM 280 CA ARG A 19 -11.707 -2.403 4.861 1.00 0.00 C ATOM 281 C ARG A 19 -10.783 -3.274 5.719 1.00 0.00 C ATOM 282 O ARG A 19 -10.610 -3.043 6.899 1.00 0.00 O ATOM 283 CB ARG A 19 -12.065 -1.106 5.618 1.00 0.00 C ATOM 284 CG ARG A 19 -10.896 -0.093 5.543 1.00 0.00 C ATOM 285 CD ARG A 19 -11.006 0.762 4.272 1.00 0.00 C ATOM 286 NE ARG A 19 -12.200 1.649 4.375 1.00 0.00 N ATOM 287 CZ ARG A 19 -12.368 2.619 3.517 1.00 0.00 C ATOM 288 NH1 ARG A 19 -11.490 2.814 2.571 1.00 0.00 N ATOM 289 NH2 ARG A 19 -13.415 3.392 3.605 1.00 0.00 N ATOM 0 H ARG A 19 -13.119 -3.311 3.554 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.196 -2.140 3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.965 -0.664 5.189 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.288 -1.336 6.660 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.907 0.550 6.423 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.945 -0.625 5.549 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.104 1.361 4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.090 0.121 3.395 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.885 1.498 5.115 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.672 2.209 2.502 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.622 3.572 1.901 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.102 3.239 4.344 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.547 4.150 2.935 1.00 0.00 H new ATOM 303 N LEU A 20 -10.187 -4.273 5.129 1.00 0.00 N ATOM 304 CA LEU A 20 -9.272 -5.163 5.888 1.00 0.00 C ATOM 305 C LEU A 20 -8.483 -6.013 4.889 1.00 0.00 C ATOM 306 O LEU A 20 -8.936 -6.258 3.788 1.00 0.00 O ATOM 307 CB LEU A 20 -10.101 -6.062 6.818 1.00 0.00 C ATOM 308 CG LEU A 20 -9.192 -7.016 7.610 1.00 0.00 C ATOM 309 CD1 LEU A 20 -8.206 -6.221 8.490 1.00 0.00 C ATOM 310 CD2 LEU A 20 -10.071 -7.908 8.495 1.00 0.00 C ATOM 0 H LEU A 20 -10.298 -4.511 4.143 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.579 -4.577 6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.677 -5.446 7.508 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.817 -6.638 6.231 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.615 -7.625 6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.571 -6.914 9.043 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.585 -5.586 7.858 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.763 -5.601 9.192 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.440 -8.591 9.064 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.644 -7.286 9.183 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.754 -8.482 7.869 1.00 0.00 H new ATOM 322 N VAL A 21 -7.301 -6.458 5.256 1.00 0.00 N ATOM 323 CA VAL A 21 -6.469 -7.288 4.323 1.00 0.00 C ATOM 324 C VAL A 21 -5.892 -8.493 5.072 1.00 0.00 C ATOM 325 O VAL A 21 -5.391 -8.365 6.172 1.00 0.00 O ATOM 326 CB VAL A 21 -5.315 -6.429 3.788 1.00 0.00 C ATOM 327 CG1 VAL A 21 -4.661 -7.131 2.592 1.00 0.00 C ATOM 328 CG2 VAL A 21 -5.851 -5.054 3.357 1.00 0.00 C ATOM 0 H VAL A 21 -6.876 -6.281 6.166 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.090 -7.640 3.499 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.571 -6.293 4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.842 -6.519 2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.274 -8.101 2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.401 -7.273 1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.030 -4.446 2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.598 -5.184 2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.306 -4.556 4.213 1.00 0.00 H new ATOM 338 N TRP A 22 -5.946 -9.660 4.475 1.00 0.00 N ATOM 339 CA TRP A 22 -5.387 -10.884 5.135 1.00 0.00 C ATOM 340 C TRP A 22 -4.003 -11.177 4.549 1.00 0.00 C ATOM 341 O TRP A 22 -3.854 -11.391 3.362 1.00 0.00 O ATOM 342 CB TRP A 22 -6.311 -12.076 4.874 1.00 0.00 C ATOM 343 CG TRP A 22 -7.593 -11.893 5.623 1.00 0.00 C ATOM 344 CD1 TRP A 22 -7.764 -12.152 6.939 1.00 0.00 C ATOM 345 CD2 TRP A 22 -8.880 -11.419 5.128 1.00 0.00 C ATOM 346 NE1 TRP A 22 -9.073 -11.872 7.283 1.00 0.00 N ATOM 347 CE2 TRP A 22 -9.801 -11.417 6.202 1.00 0.00 C ATOM 348 CE3 TRP A 22 -9.336 -10.997 3.864 1.00 0.00 C ATOM 349 CZ2 TRP A 22 -11.125 -11.012 6.031 1.00 0.00 C ATOM 350 CZ3 TRP A 22 -10.667 -10.589 3.689 1.00 0.00 C ATOM 351 CH2 TRP A 22 -11.560 -10.597 4.770 1.00 0.00 C ATOM 0 H TRP A 22 -6.355 -9.818 3.554 1.00 0.00 H new ATOM 0 HA TRP A 22 -5.308 -10.718 6.209 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -6.512 -12.166 3.806 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -5.825 -13.000 5.186 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -7.002 -12.518 7.611 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -9.455 -11.988 8.222 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.657 -10.987 3.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -11.809 -11.019 6.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -11.006 -10.267 2.715 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -12.583 -10.283 4.628 1.00 0.00 H new ATOM 362 N LEU A 23 -2.992 -11.187 5.378 1.00 0.00 N ATOM 363 CA LEU A 23 -1.599 -11.463 4.900 1.00 0.00 C ATOM 364 C LEU A 23 -1.245 -12.906 5.249 1.00 0.00 C ATOM 365 O LEU A 23 -1.105 -13.254 6.403 1.00 0.00 O ATOM 366 CB LEU A 23 -0.637 -10.503 5.618 1.00 0.00 C ATOM 367 CG LEU A 23 0.857 -10.863 5.318 1.00 0.00 C ATOM 368 CD1 LEU A 23 1.633 -9.610 4.873 1.00 0.00 C ATOM 369 CD2 LEU A 23 1.535 -11.430 6.577 1.00 0.00 C ATOM 0 H LEU A 23 -3.071 -11.014 6.380 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.523 -11.318 3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.837 -9.480 5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.814 -10.544 6.693 1.00 0.00 H new ATOM 0 HG LEU A 23 0.867 -11.608 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.670 -9.878 4.668 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.179 -9.202 3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.601 -8.862 5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.573 -11.675 6.352 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.502 -10.687 7.374 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.011 -12.330 6.898 1.00 0.00 H new ATOM 381 N GLY A 24 -1.129 -13.764 4.274 1.00 0.00 N ATOM 382 CA GLY A 24 -0.821 -15.182 4.597 1.00 0.00 C ATOM 383 C GLY A 24 -2.007 -15.734 5.383 1.00 0.00 C ATOM 384 O GLY A 24 -1.855 -16.415 6.374 1.00 0.00 O ATOM 0 H GLY A 24 -1.232 -13.548 3.282 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.662 -15.758 3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.095 -15.253 5.183 1.00 0.00 H new ATOM 388 N GLU A 25 -3.189 -15.417 4.928 1.00 0.00 N ATOM 389 CA GLU A 25 -4.437 -15.875 5.604 1.00 0.00 C ATOM 390 C GLU A 25 -4.541 -15.256 7.004 1.00 0.00 C ATOM 391 O GLU A 25 -5.466 -15.545 7.737 1.00 0.00 O ATOM 392 CB GLU A 25 -4.464 -17.406 5.712 1.00 0.00 C ATOM 393 CG GLU A 25 -4.092 -18.033 4.365 1.00 0.00 C ATOM 394 CD GLU A 25 -5.044 -17.523 3.281 1.00 0.00 C ATOM 395 OE1 GLU A 25 -4.754 -16.488 2.704 1.00 0.00 O ATOM 396 OE2 GLU A 25 -6.047 -18.177 3.046 1.00 0.00 O ATOM 0 H GLU A 25 -3.345 -14.847 4.097 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.288 -15.550 5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.766 -17.737 6.481 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.456 -17.740 6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.063 -17.782 4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.148 -19.120 4.430 1.00 0.00 H new ATOM 403 N THR A 26 -3.613 -14.395 7.387 1.00 0.00 N ATOM 404 CA THR A 26 -3.684 -13.750 8.749 1.00 0.00 C ATOM 405 C THR A 26 -4.117 -12.295 8.607 1.00 0.00 C ATOM 406 O THR A 26 -3.683 -11.590 7.724 1.00 0.00 O ATOM 407 CB THR A 26 -2.318 -13.790 9.438 1.00 0.00 C ATOM 408 OG1 THR A 26 -1.408 -12.957 8.736 1.00 0.00 O ATOM 409 CG2 THR A 26 -1.782 -15.224 9.473 1.00 0.00 C ATOM 0 H THR A 26 -2.815 -14.113 6.818 1.00 0.00 H new ATOM 0 HA THR A 26 -4.407 -14.302 9.350 1.00 0.00 H new ATOM 0 HB THR A 26 -2.427 -13.431 10.461 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.130 -13.401 7.908 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.810 -15.237 9.966 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.477 -15.859 10.023 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.678 -15.598 8.455 1.00 0.00 H new ATOM 417 N ALA A 27 -4.977 -11.839 9.474 1.00 0.00 N ATOM 418 CA ALA A 27 -5.448 -10.428 9.391 1.00 0.00 C ATOM 419 C ALA A 27 -4.260 -9.472 9.519 1.00 0.00 C ATOM 420 O ALA A 27 -3.640 -9.370 10.559 1.00 0.00 O ATOM 421 CB ALA A 27 -6.441 -10.158 10.523 1.00 0.00 C ATOM 0 H ALA A 27 -5.375 -12.384 10.239 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.933 -10.268 8.428 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.787 -9.126 10.465 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.292 -10.832 10.429 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.952 -10.323 11.483 1.00 0.00 H new ATOM 427 N LEU A 28 -3.949 -8.758 8.471 1.00 0.00 N ATOM 428 CA LEU A 28 -2.814 -7.796 8.532 1.00 0.00 C ATOM 429 C LEU A 28 -3.232 -6.620 9.420 1.00 0.00 C ATOM 430 O LEU A 28 -4.266 -6.016 9.212 1.00 0.00 O ATOM 431 CB LEU A 28 -2.500 -7.313 7.109 1.00 0.00 C ATOM 432 CG LEU A 28 -1.187 -6.509 7.061 1.00 0.00 C ATOM 433 CD1 LEU A 28 0.012 -7.369 7.526 1.00 0.00 C ATOM 434 CD2 LEU A 28 -0.961 -6.041 5.613 1.00 0.00 C ATOM 0 H LEU A 28 -4.433 -8.800 7.574 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.922 -8.264 8.949 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.427 -8.171 6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.320 -6.694 6.745 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.264 -5.655 7.734 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.925 -6.775 7.481 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.155 -7.702 8.550 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.112 -8.237 6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.035 -5.469 5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.892 -6.909 4.957 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.795 -5.414 5.299 1.00 0.00 H new ATOM 446 N ASP A 29 -2.450 -6.303 10.423 1.00 0.00 N ATOM 447 CA ASP A 29 -2.812 -5.180 11.349 1.00 0.00 C ATOM 448 C ASP A 29 -2.099 -3.890 10.939 1.00 0.00 C ATOM 449 O ASP A 29 -0.917 -3.724 11.168 1.00 0.00 O ATOM 450 CB ASP A 29 -2.389 -5.553 12.771 1.00 0.00 C ATOM 451 CG ASP A 29 -2.927 -6.943 13.117 1.00 0.00 C ATOM 452 OD1 ASP A 29 -4.137 -7.096 13.157 1.00 0.00 O ATOM 453 OD2 ASP A 29 -2.120 -7.831 13.335 1.00 0.00 O ATOM 0 H ASP A 29 -1.573 -6.775 10.642 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.889 -5.017 11.301 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.302 -5.542 12.853 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.770 -4.817 13.480 1.00 0.00 H new ATOM 458 N LEU A 30 -2.815 -2.970 10.342 1.00 0.00 N ATOM 459 CA LEU A 30 -2.196 -1.672 9.920 1.00 0.00 C ATOM 460 C LEU A 30 -3.205 -0.536 10.129 1.00 0.00 C ATOM 461 O LEU A 30 -4.402 -0.738 10.079 1.00 0.00 O ATOM 462 CB LEU A 30 -1.767 -1.748 8.443 1.00 0.00 C ATOM 463 CG LEU A 30 -2.980 -1.760 7.493 1.00 0.00 C ATOM 464 CD1 LEU A 30 -2.477 -1.928 6.056 1.00 0.00 C ATOM 465 CD2 LEU A 30 -3.929 -2.922 7.845 1.00 0.00 C ATOM 0 H LEU A 30 -3.808 -3.061 10.127 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.311 -1.477 10.525 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.129 -0.897 8.206 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.172 -2.647 8.283 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.527 -0.823 7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.326 -1.938 5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.817 -1.099 5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.930 -2.867 5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.780 -2.916 7.164 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.396 -3.868 7.751 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.283 -2.805 8.869 1.00 0.00 H new ATOM 477 N THR A 31 -2.731 0.656 10.372 1.00 0.00 N ATOM 478 CA THR A 31 -3.665 1.797 10.593 1.00 0.00 C ATOM 479 C THR A 31 -4.479 2.026 9.305 1.00 0.00 C ATOM 480 O THR A 31 -4.063 1.639 8.232 1.00 0.00 O ATOM 481 CB THR A 31 -2.837 3.059 10.957 1.00 0.00 C ATOM 482 OG1 THR A 31 -1.518 2.907 10.455 1.00 0.00 O ATOM 483 CG2 THR A 31 -2.768 3.237 12.480 1.00 0.00 C ATOM 0 H THR A 31 -1.739 0.889 10.427 1.00 0.00 H new ATOM 0 HA THR A 31 -4.353 1.583 11.411 1.00 0.00 H new ATOM 0 HB THR A 31 -3.317 3.934 10.517 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.989 3.701 10.679 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.184 4.126 12.716 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.776 3.348 12.879 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.295 2.363 12.927 1.00 0.00 H new ATOM 491 N PRO A 32 -5.633 2.645 9.410 1.00 0.00 N ATOM 492 CA PRO A 32 -6.511 2.912 8.229 1.00 0.00 C ATOM 493 C PRO A 32 -5.817 3.797 7.182 1.00 0.00 C ATOM 494 O PRO A 32 -5.945 3.580 5.994 1.00 0.00 O ATOM 495 CB PRO A 32 -7.747 3.617 8.836 1.00 0.00 C ATOM 496 CG PRO A 32 -7.269 4.162 10.148 1.00 0.00 C ATOM 497 CD PRO A 32 -6.234 3.160 10.654 1.00 0.00 C ATOM 0 HA PRO A 32 -6.768 1.998 7.693 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.108 4.413 8.185 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.573 2.919 8.974 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.829 5.152 10.025 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.093 4.265 10.854 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.491 3.636 11.294 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.695 2.364 11.239 1.00 0.00 H new ATOM 505 N LYS A 33 -5.082 4.788 7.611 1.00 0.00 N ATOM 506 CA LYS A 33 -4.386 5.670 6.630 1.00 0.00 C ATOM 507 C LYS A 33 -3.533 4.807 5.698 1.00 0.00 C ATOM 508 O LYS A 33 -3.412 5.078 4.519 1.00 0.00 O ATOM 509 CB LYS A 33 -3.487 6.668 7.372 1.00 0.00 C ATOM 510 CG LYS A 33 -4.261 7.326 8.521 1.00 0.00 C ATOM 511 CD LYS A 33 -5.528 8.010 7.985 1.00 0.00 C ATOM 512 CE LYS A 33 -6.065 8.998 9.027 1.00 0.00 C ATOM 513 NZ LYS A 33 -5.098 10.118 9.196 1.00 0.00 N ATOM 0 H LYS A 33 -4.934 5.024 8.592 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.125 6.222 6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.608 6.156 7.763 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.130 7.431 6.680 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.531 6.575 9.264 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.628 8.058 9.023 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.304 8.533 7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.287 7.262 7.755 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.034 9.385 8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.219 8.490 9.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.605 10.971 9.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.387 9.858 9.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.626 10.309 8.289 1.00 0.00 H new ATOM 527 N GLU A 34 -2.950 3.762 6.217 1.00 0.00 N ATOM 528 CA GLU A 34 -2.117 2.880 5.356 1.00 0.00 C ATOM 529 C GLU A 34 -3.039 2.123 4.399 1.00 0.00 C ATOM 530 O GLU A 34 -2.721 1.913 3.246 1.00 0.00 O ATOM 531 CB GLU A 34 -1.332 1.889 6.233 1.00 0.00 C ATOM 532 CG GLU A 34 -0.828 2.599 7.494 1.00 0.00 C ATOM 533 CD GLU A 34 -0.028 3.847 7.114 1.00 0.00 C ATOM 534 OE1 GLU A 34 0.553 3.853 6.043 1.00 0.00 O ATOM 535 OE2 GLU A 34 -0.009 4.777 7.903 1.00 0.00 O ATOM 0 H GLU A 34 -3.014 3.482 7.196 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.405 3.476 4.785 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.969 1.048 6.508 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.490 1.481 5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.672 2.877 8.125 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.204 1.922 8.077 1.00 0.00 H new ATOM 542 N TYR A 35 -4.189 1.727 4.872 1.00 0.00 N ATOM 543 CA TYR A 35 -5.147 0.998 3.995 1.00 0.00 C ATOM 544 C TYR A 35 -5.420 1.848 2.752 1.00 0.00 C ATOM 545 O TYR A 35 -5.723 1.337 1.692 1.00 0.00 O ATOM 546 CB TYR A 35 -6.451 0.757 4.763 1.00 0.00 C ATOM 547 CG TYR A 35 -7.316 -0.233 4.011 1.00 0.00 C ATOM 548 CD1 TYR A 35 -8.093 0.197 2.926 1.00 0.00 C ATOM 549 CD2 TYR A 35 -7.345 -1.580 4.399 1.00 0.00 C ATOM 550 CE1 TYR A 35 -8.893 -0.720 2.232 1.00 0.00 C ATOM 551 CE2 TYR A 35 -8.146 -2.493 3.703 1.00 0.00 C ATOM 552 CZ TYR A 35 -8.918 -2.063 2.623 1.00 0.00 C ATOM 553 OH TYR A 35 -9.703 -2.966 1.941 1.00 0.00 O ATOM 0 H TYR A 35 -4.506 1.877 5.830 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.729 0.037 3.694 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.231 0.377 5.761 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.987 1.697 4.891 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.075 1.234 2.626 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.749 -1.913 5.236 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.491 -0.390 1.395 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.167 -3.531 4.002 1.00 0.00 H new ATOM 0 HH TYR A 35 -10.414 -3.292 2.531 1.00 0.00 H new ATOM 563 N ALA A 36 -5.307 3.144 2.875 1.00 0.00 N ATOM 564 CA ALA A 36 -5.550 4.029 1.701 1.00 0.00 C ATOM 565 C ALA A 36 -4.377 3.898 0.727 1.00 0.00 C ATOM 566 O ALA A 36 -4.555 3.669 -0.452 1.00 0.00 O ATOM 567 CB ALA A 36 -5.667 5.487 2.170 1.00 0.00 C ATOM 0 H ALA A 36 -5.057 3.627 3.738 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.476 3.736 1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.845 6.133 1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.497 5.578 2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.742 5.786 2.663 1.00 0.00 H new ATOM 573 N LEU A 37 -3.178 4.032 1.222 1.00 0.00 N ATOM 574 CA LEU A 37 -1.988 3.912 0.335 1.00 0.00 C ATOM 575 C LEU A 37 -1.909 2.473 -0.185 1.00 0.00 C ATOM 576 O LEU A 37 -1.551 2.227 -1.319 1.00 0.00 O ATOM 577 CB LEU A 37 -0.695 4.249 1.114 1.00 0.00 C ATOM 578 CG LEU A 37 -0.871 5.499 2.009 1.00 0.00 C ATOM 579 CD1 LEU A 37 0.258 5.556 3.047 1.00 0.00 C ATOM 580 CD2 LEU A 37 -0.820 6.773 1.156 1.00 0.00 C ATOM 0 H LEU A 37 -2.971 4.220 2.203 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.085 4.612 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.411 3.397 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.120 4.418 0.410 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.837 5.434 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.131 6.438 3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.227 4.661 3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.219 5.610 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.945 7.645 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.142 6.832 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.621 6.748 0.417 1.00 0.00 H new ATOM 592 N LEU A 38 -2.238 1.525 0.646 1.00 0.00 N ATOM 593 CA LEU A 38 -2.184 0.098 0.224 1.00 0.00 C ATOM 594 C LEU A 38 -3.082 -0.106 -1.007 1.00 0.00 C ATOM 595 O LEU A 38 -2.719 -0.785 -1.947 1.00 0.00 O ATOM 596 CB LEU A 38 -2.662 -0.783 1.403 1.00 0.00 C ATOM 597 CG LEU A 38 -1.940 -2.140 1.409 1.00 0.00 C ATOM 598 CD1 LEU A 38 -2.352 -2.923 2.658 1.00 0.00 C ATOM 599 CD2 LEU A 38 -2.312 -2.938 0.150 1.00 0.00 C ATOM 0 H LEU A 38 -2.544 1.678 1.607 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.165 -0.183 -0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.479 -0.266 2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.738 -0.941 1.330 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.862 -1.977 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.843 -3.887 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.077 -2.358 3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.430 -3.082 2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.796 -3.898 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.389 -3.105 0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.015 -2.378 -0.737 1.00 0.00 H new ATOM 611 N SER A 39 -4.246 0.479 -1.009 1.00 0.00 N ATOM 612 CA SER A 39 -5.158 0.314 -2.176 1.00 0.00 C ATOM 613 C SER A 39 -4.478 0.863 -3.429 1.00 0.00 C ATOM 614 O SER A 39 -4.478 0.242 -4.472 1.00 0.00 O ATOM 615 CB SER A 39 -6.456 1.083 -1.923 1.00 0.00 C ATOM 616 OG SER A 39 -6.185 2.479 -1.931 1.00 0.00 O ATOM 0 H SER A 39 -4.606 1.064 -0.255 1.00 0.00 H new ATOM 0 HA SER A 39 -5.385 -0.743 -2.315 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.192 0.839 -2.690 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.885 0.790 -0.965 1.00 0.00 H new ATOM 0 HG SER A 39 -5.773 2.737 -1.080 1.00 0.00 H new ATOM 622 N ARG A 40 -3.892 2.022 -3.330 1.00 0.00 N ATOM 623 CA ARG A 40 -3.206 2.611 -4.510 1.00 0.00 C ATOM 624 C ARG A 40 -2.173 1.617 -5.042 1.00 0.00 C ATOM 625 O ARG A 40 -2.104 1.352 -6.226 1.00 0.00 O ATOM 626 CB ARG A 40 -2.503 3.902 -4.088 1.00 0.00 C ATOM 627 CG ARG A 40 -3.516 4.879 -3.474 1.00 0.00 C ATOM 628 CD ARG A 40 -4.524 5.355 -4.533 1.00 0.00 C ATOM 629 NE ARG A 40 -5.133 6.639 -4.088 1.00 0.00 N ATOM 630 CZ ARG A 40 -6.073 7.200 -4.801 1.00 0.00 C ATOM 631 NH1 ARG A 40 -6.480 6.634 -5.905 1.00 0.00 N ATOM 632 NH2 ARG A 40 -6.604 8.325 -4.410 1.00 0.00 N ATOM 0 H ARG A 40 -3.859 2.587 -2.481 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.935 2.830 -5.291 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.718 3.678 -3.365 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.020 4.361 -4.951 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.045 4.394 -2.654 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.992 5.737 -3.052 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.025 5.489 -5.493 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.299 4.602 -4.679 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.816 7.081 -3.225 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.064 5.754 -6.210 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.214 7.072 -6.462 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.285 8.767 -3.548 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.338 8.763 -4.967 1.00 0.00 H new ATOM 646 N LEU A 41 -1.369 1.071 -4.177 1.00 0.00 N ATOM 647 CA LEU A 41 -0.336 0.100 -4.631 1.00 0.00 C ATOM 648 C LEU A 41 -1.008 -1.118 -5.272 1.00 0.00 C ATOM 649 O LEU A 41 -0.531 -1.647 -6.257 1.00 0.00 O ATOM 650 CB LEU A 41 0.500 -0.353 -3.430 1.00 0.00 C ATOM 651 CG LEU A 41 1.301 0.832 -2.852 1.00 0.00 C ATOM 652 CD1 LEU A 41 1.816 0.464 -1.452 1.00 0.00 C ATOM 653 CD2 LEU A 41 2.500 1.176 -3.761 1.00 0.00 C ATOM 0 H LEU A 41 -1.382 1.255 -3.174 1.00 0.00 H new ATOM 0 HA LEU A 41 0.308 0.581 -5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.152 -0.768 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.182 -1.147 -3.733 1.00 0.00 H new ATOM 0 HG LEU A 41 0.645 1.701 -2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.382 1.300 -1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.971 0.243 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.460 -0.412 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.051 2.014 -3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.158 0.311 -3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.139 1.446 -4.753 1.00 0.00 H new ATOM 665 N MET A 42 -2.102 -1.578 -4.728 1.00 0.00 N ATOM 666 CA MET A 42 -2.782 -2.770 -5.316 1.00 0.00 C ATOM 667 C MET A 42 -3.507 -2.373 -6.605 1.00 0.00 C ATOM 668 O MET A 42 -3.553 -3.125 -7.558 1.00 0.00 O ATOM 669 CB MET A 42 -3.798 -3.324 -4.307 1.00 0.00 C ATOM 670 CG MET A 42 -3.064 -4.017 -3.152 1.00 0.00 C ATOM 671 SD MET A 42 -2.506 -5.653 -3.691 1.00 0.00 S ATOM 672 CE MET A 42 -2.447 -6.424 -2.053 1.00 0.00 C ATOM 0 H MET A 42 -2.554 -1.182 -3.904 1.00 0.00 H new ATOM 0 HA MET A 42 -2.038 -3.533 -5.545 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.418 -2.515 -3.921 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.466 -4.030 -4.801 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.212 -3.416 -2.835 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.725 -4.111 -2.291 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.606 -7.116 -2.006 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.325 -5.653 -1.292 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.374 -6.968 -1.873 1.00 0.00 H new ATOM 682 N MET A 43 -4.078 -1.201 -6.643 1.00 0.00 N ATOM 683 CA MET A 43 -4.802 -0.766 -7.872 1.00 0.00 C ATOM 684 C MET A 43 -3.850 -0.867 -9.063 1.00 0.00 C ATOM 685 O MET A 43 -4.262 -1.090 -10.184 1.00 0.00 O ATOM 686 CB MET A 43 -5.276 0.687 -7.704 1.00 0.00 C ATOM 687 CG MET A 43 -6.508 0.733 -6.790 1.00 0.00 C ATOM 688 SD MET A 43 -6.783 2.434 -6.237 1.00 0.00 S ATOM 689 CE MET A 43 -8.375 2.154 -5.423 1.00 0.00 C ATOM 0 H MET A 43 -4.075 -0.526 -5.878 1.00 0.00 H new ATOM 0 HA MET A 43 -5.670 -1.403 -8.039 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.475 1.293 -7.280 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.518 1.114 -8.677 1.00 0.00 H new ATOM 0 HG2 MET A 43 -7.385 0.366 -7.324 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.362 0.079 -5.931 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.687 3.064 -4.911 1.00 0.00 H new ATOM 0 HE2 MET A 43 -9.122 1.883 -6.169 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.276 1.346 -4.698 1.00 0.00 H new ATOM 699 N LYS A 44 -2.574 -0.704 -8.815 1.00 0.00 N ATOM 700 CA LYS A 44 -1.550 -0.784 -9.906 1.00 0.00 C ATOM 701 C LYS A 44 -0.551 -1.901 -9.579 1.00 0.00 C ATOM 702 O LYS A 44 0.648 -1.716 -9.653 1.00 0.00 O ATOM 703 CB LYS A 44 -0.816 0.559 -9.982 1.00 0.00 C ATOM 704 CG LYS A 44 -1.709 1.598 -10.666 1.00 0.00 C ATOM 705 CD LYS A 44 -1.060 2.980 -10.558 1.00 0.00 C ATOM 706 CE LYS A 44 -2.026 4.039 -11.094 1.00 0.00 C ATOM 707 NZ LYS A 44 -2.240 3.821 -12.553 1.00 0.00 N ATOM 0 H LYS A 44 -2.191 -0.516 -7.888 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.029 -1.000 -10.861 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.551 0.897 -8.980 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.115 0.444 -10.537 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.855 1.334 -11.713 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.694 1.610 -10.200 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.807 3.195 -9.520 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.129 3.002 -11.124 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.976 3.982 -10.563 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.623 5.037 -10.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.695 4.660 -12.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.324 3.660 -13.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.851 2.991 -12.694 1.00 0.00 H new ATOM 721 N ALA A 45 -1.036 -3.058 -9.214 1.00 0.00 N ATOM 722 CA ALA A 45 -0.120 -4.182 -8.877 1.00 0.00 C ATOM 723 C ALA A 45 0.540 -4.722 -10.150 1.00 0.00 C ATOM 724 O ALA A 45 -0.121 -5.015 -11.128 1.00 0.00 O ATOM 725 CB ALA A 45 -0.917 -5.303 -8.205 1.00 0.00 C ATOM 0 H ALA A 45 -2.030 -3.272 -9.135 1.00 0.00 H new ATOM 0 HA ALA A 45 0.653 -3.821 -8.199 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.248 -6.127 -7.957 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.379 -4.925 -7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.692 -5.657 -8.885 1.00 0.00 H new ATOM 731 N GLY A 46 1.844 -4.859 -10.135 1.00 0.00 N ATOM 732 CA GLY A 46 2.584 -5.387 -11.330 1.00 0.00 C ATOM 733 C GLY A 46 3.329 -4.244 -12.022 1.00 0.00 C ATOM 734 O GLY A 46 4.176 -4.469 -12.863 1.00 0.00 O ATOM 0 H GLY A 46 2.436 -4.625 -9.338 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.289 -6.159 -11.021 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.886 -5.853 -12.026 1.00 0.00 H new ATOM 738 N SER A 47 3.017 -3.019 -11.669 1.00 0.00 N ATOM 739 CA SER A 47 3.697 -1.831 -12.288 1.00 0.00 C ATOM 740 C SER A 47 4.272 -0.960 -11.161 1.00 0.00 C ATOM 741 O SER A 47 3.748 -0.951 -10.065 1.00 0.00 O ATOM 742 CB SER A 47 2.663 -1.024 -13.080 1.00 0.00 C ATOM 743 OG SER A 47 1.486 -0.874 -12.296 1.00 0.00 O ATOM 0 H SER A 47 2.312 -2.787 -10.970 1.00 0.00 H new ATOM 0 HA SER A 47 4.496 -2.153 -12.956 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.069 -0.046 -13.339 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.429 -1.530 -14.016 1.00 0.00 H new ATOM 0 HG SER A 47 1.718 -0.924 -11.345 1.00 0.00 H new ATOM 749 N PRO A 48 5.339 -0.231 -11.407 1.00 0.00 N ATOM 750 CA PRO A 48 5.953 0.637 -10.359 1.00 0.00 C ATOM 751 C PRO A 48 5.100 1.880 -10.081 1.00 0.00 C ATOM 752 O PRO A 48 4.857 2.685 -10.957 1.00 0.00 O ATOM 753 CB PRO A 48 7.312 1.020 -10.970 1.00 0.00 C ATOM 754 CG PRO A 48 7.072 0.997 -12.446 1.00 0.00 C ATOM 755 CD PRO A 48 6.076 -0.145 -12.685 1.00 0.00 C ATOM 0 HA PRO A 48 6.042 0.135 -9.396 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.636 2.005 -10.635 1.00 0.00 H new ATOM 0 HB3 PRO A 48 8.091 0.314 -10.682 1.00 0.00 H new ATOM 0 HG2 PRO A 48 6.668 1.948 -12.792 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.000 0.828 -12.991 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.409 0.072 -13.519 1.00 0.00 H new ATOM 0 HD3 PRO A 48 6.585 -1.080 -12.919 1.00 0.00 H new ATOM 763 N VAL A 49 4.643 2.039 -8.863 1.00 0.00 N ATOM 764 CA VAL A 49 3.805 3.224 -8.515 1.00 0.00 C ATOM 765 C VAL A 49 4.686 4.329 -7.937 1.00 0.00 C ATOM 766 O VAL A 49 5.533 4.086 -7.100 1.00 0.00 O ATOM 767 CB VAL A 49 2.767 2.814 -7.467 1.00 0.00 C ATOM 768 CG1 VAL A 49 1.940 4.036 -7.049 1.00 0.00 C ATOM 769 CG2 VAL A 49 1.845 1.750 -8.062 1.00 0.00 C ATOM 0 H VAL A 49 4.817 1.394 -8.092 1.00 0.00 H new ATOM 0 HA VAL A 49 3.307 3.590 -9.413 1.00 0.00 H new ATOM 0 HB VAL A 49 3.275 2.411 -6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.203 3.739 -6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.599 4.794 -6.626 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.429 4.445 -7.921 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.104 1.454 -7.320 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.339 2.156 -8.938 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.434 0.880 -8.353 1.00 0.00 H new ATOM 779 N HIS A 50 4.489 5.549 -8.362 1.00 0.00 N ATOM 780 CA HIS A 50 5.311 6.662 -7.816 1.00 0.00 C ATOM 781 C HIS A 50 4.854 6.945 -6.380 1.00 0.00 C ATOM 782 O HIS A 50 3.690 7.176 -6.121 1.00 0.00 O ATOM 783 CB HIS A 50 5.132 7.911 -8.692 1.00 0.00 C ATOM 784 CG HIS A 50 6.208 8.930 -8.397 1.00 0.00 C ATOM 785 ND1 HIS A 50 5.958 10.296 -8.460 1.00 0.00 N ATOM 786 CD2 HIS A 50 7.540 8.813 -8.058 1.00 0.00 C ATOM 787 CE1 HIS A 50 7.106 10.935 -8.169 1.00 0.00 C ATOM 788 NE2 HIS A 50 8.095 10.079 -7.918 1.00 0.00 N ATOM 0 H HIS A 50 3.797 5.820 -9.061 1.00 0.00 H new ATOM 0 HA HIS A 50 6.366 6.390 -7.815 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.168 7.631 -9.745 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.150 8.349 -8.513 1.00 0.00 H new ATOM 0 HD2 HIS A 50 8.069 7.882 -7.922 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.212 12.009 -8.142 1.00 0.00 H new ATOM 0 HE2 HIS A 50 9.059 10.306 -7.674 1.00 0.00 H new ATOM 797 N ARG A 51 5.764 6.913 -5.450 1.00 0.00 N ATOM 798 CA ARG A 51 5.407 7.160 -4.026 1.00 0.00 C ATOM 799 C ARG A 51 4.599 8.451 -3.912 1.00 0.00 C ATOM 800 O ARG A 51 3.975 8.720 -2.905 1.00 0.00 O ATOM 801 CB ARG A 51 6.686 7.247 -3.170 1.00 0.00 C ATOM 802 CG ARG A 51 7.467 8.548 -3.441 1.00 0.00 C ATOM 803 CD ARG A 51 7.826 8.665 -4.928 1.00 0.00 C ATOM 804 NE ARG A 51 8.936 9.645 -5.088 1.00 0.00 N ATOM 805 CZ ARG A 51 8.716 10.918 -4.906 1.00 0.00 C ATOM 806 NH1 ARG A 51 7.522 11.335 -4.580 1.00 0.00 N ATOM 807 NH2 ARG A 51 9.689 11.775 -5.047 1.00 0.00 N ATOM 0 H ARG A 51 6.752 6.724 -5.617 1.00 0.00 H new ATOM 0 HA ARG A 51 4.799 6.333 -3.659 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.421 7.195 -2.114 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.324 6.389 -3.381 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.869 9.407 -3.137 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.376 8.564 -2.840 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.124 7.693 -5.320 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.956 8.986 -5.500 1.00 0.00 H new ATOM 0 HE ARG A 51 9.870 9.320 -5.340 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.761 10.665 -4.468 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.351 12.330 -4.438 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.622 11.450 -5.300 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.517 12.770 -4.905 1.00 0.00 H new ATOM 821 N GLU A 52 4.614 9.251 -4.935 1.00 0.00 N ATOM 822 CA GLU A 52 3.857 10.526 -4.889 1.00 0.00 C ATOM 823 C GLU A 52 2.353 10.237 -4.834 1.00 0.00 C ATOM 824 O GLU A 52 1.647 10.773 -4.006 1.00 0.00 O ATOM 825 CB GLU A 52 4.190 11.356 -6.139 1.00 0.00 C ATOM 826 CG GLU A 52 3.816 12.823 -5.908 1.00 0.00 C ATOM 827 CD GLU A 52 3.844 13.583 -7.237 1.00 0.00 C ATOM 828 OE1 GLU A 52 4.918 14.007 -7.631 1.00 0.00 O ATOM 829 OE2 GLU A 52 2.791 13.726 -7.837 1.00 0.00 O ATOM 0 H GLU A 52 5.119 9.077 -5.804 1.00 0.00 H new ATOM 0 HA GLU A 52 4.138 11.086 -3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.253 11.275 -6.367 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.648 10.965 -7.000 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.823 12.889 -5.462 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.512 13.278 -5.204 1.00 0.00 H new ATOM 836 N ILE A 53 1.855 9.390 -5.699 1.00 0.00 N ATOM 837 CA ILE A 53 0.393 9.081 -5.685 1.00 0.00 C ATOM 838 C ILE A 53 -0.020 8.578 -4.302 1.00 0.00 C ATOM 839 O ILE A 53 -1.118 8.824 -3.844 1.00 0.00 O ATOM 840 CB ILE A 53 0.087 8.003 -6.738 1.00 0.00 C ATOM 841 CG1 ILE A 53 0.811 8.327 -8.055 1.00 0.00 C ATOM 842 CG2 ILE A 53 -1.422 7.939 -6.988 1.00 0.00 C ATOM 843 CD1 ILE A 53 0.534 9.775 -8.478 1.00 0.00 C ATOM 0 H ILE A 53 2.396 8.901 -6.412 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.167 9.987 -5.917 1.00 0.00 H new ATOM 0 HB ILE A 53 0.437 7.040 -6.367 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.884 8.176 -7.934 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.479 7.644 -8.837 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.635 7.174 -7.735 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.935 7.691 -6.058 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.772 8.906 -7.349 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.054 9.987 -9.412 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.538 9.914 -8.620 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.888 10.455 -7.703 1.00 0.00 H new ATOM 855 N LEU A 54 0.852 7.886 -3.631 1.00 0.00 N ATOM 856 CA LEU A 54 0.511 7.378 -2.275 1.00 0.00 C ATOM 857 C LEU A 54 0.336 8.576 -1.338 1.00 0.00 C ATOM 858 O LEU A 54 -0.636 8.694 -0.623 1.00 0.00 O ATOM 859 CB LEU A 54 1.653 6.488 -1.769 1.00 0.00 C ATOM 860 CG LEU A 54 2.086 5.507 -2.868 1.00 0.00 C ATOM 861 CD1 LEU A 54 3.200 4.598 -2.329 1.00 0.00 C ATOM 862 CD2 LEU A 54 0.887 4.651 -3.306 1.00 0.00 C ATOM 0 H LEU A 54 1.787 7.649 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.410 6.796 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.499 7.105 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.331 5.937 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 54 2.456 6.067 -3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.509 3.901 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.053 5.207 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.830 4.041 -1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.201 3.957 -4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.509 4.090 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.099 5.298 -3.692 1.00 0.00 H new ATOM 874 N TYR A 55 1.277 9.470 -1.359 1.00 0.00 N ATOM 875 CA TYR A 55 1.178 10.670 -0.484 1.00 0.00 C ATOM 876 C TYR A 55 -0.121 11.411 -0.807 1.00 0.00 C ATOM 877 O TYR A 55 -0.770 11.963 0.058 1.00 0.00 O ATOM 878 CB TYR A 55 2.383 11.590 -0.729 1.00 0.00 C ATOM 879 CG TYR A 55 2.484 12.608 0.390 1.00 0.00 C ATOM 880 CD1 TYR A 55 2.873 12.194 1.670 1.00 0.00 C ATOM 881 CD2 TYR A 55 2.188 13.959 0.153 1.00 0.00 C ATOM 882 CE1 TYR A 55 2.968 13.126 2.711 1.00 0.00 C ATOM 883 CE2 TYR A 55 2.283 14.890 1.195 1.00 0.00 C ATOM 884 CZ TYR A 55 2.672 14.473 2.473 1.00 0.00 C ATOM 885 OH TYR A 55 2.765 15.393 3.499 1.00 0.00 O ATOM 0 H TYR A 55 2.112 9.425 -1.943 1.00 0.00 H new ATOM 0 HA TYR A 55 1.176 10.367 0.563 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.298 11.000 -0.781 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.276 12.098 -1.687 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.100 11.154 1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.887 14.281 -0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.270 12.805 3.697 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.056 15.930 1.012 1.00 0.00 H new ATOM 0 HH TYR A 55 2.527 16.282 3.164 1.00 0.00 H new ATOM 895 N ASN A 56 -0.499 11.421 -2.052 1.00 0.00 N ATOM 896 CA ASN A 56 -1.746 12.121 -2.461 1.00 0.00 C ATOM 897 C ASN A 56 -2.979 11.420 -1.874 1.00 0.00 C ATOM 898 O ASN A 56 -4.035 12.010 -1.761 1.00 0.00 O ATOM 899 CB ASN A 56 -1.848 12.125 -3.989 1.00 0.00 C ATOM 900 CG ASN A 56 -0.747 13.011 -4.581 1.00 0.00 C ATOM 901 OD1 ASN A 56 0.320 12.456 -5.091 1.00 0.00 O flip ATOM 902 ND2 ASN A 56 -0.859 14.221 -4.579 1.00 0.00 N flip ATOM 0 H ASN A 56 0.008 10.969 -2.813 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.711 13.143 -2.085 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.754 11.109 -4.371 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.827 12.492 -4.296 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.692 14.655 -4.181 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.120 14.802 -4.975 1.00 0.00 H new ATOM 909 N ASP A 57 -2.871 10.167 -1.515 1.00 0.00 N ATOM 910 CA ASP A 57 -4.061 9.470 -0.964 1.00 0.00 C ATOM 911 C ASP A 57 -4.581 10.240 0.257 1.00 0.00 C ATOM 912 O ASP A 57 -5.738 10.605 0.328 1.00 0.00 O ATOM 913 CB ASP A 57 -3.685 8.029 -0.575 1.00 0.00 C ATOM 914 CG ASP A 57 -4.916 7.122 -0.676 1.00 0.00 C ATOM 915 OD1 ASP A 57 -6.005 7.602 -0.409 1.00 0.00 O ATOM 916 OD2 ASP A 57 -4.748 5.967 -1.027 1.00 0.00 O ATOM 0 H ASP A 57 -2.021 9.606 -1.580 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.847 9.431 -1.718 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.896 7.660 -1.231 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.290 8.009 0.441 1.00 0.00 H new ATOM 1089 N THR A 69 9.347 13.388 7.451 1.00 0.00 N ATOM 1090 CA THR A 69 8.096 12.802 8.009 1.00 0.00 C ATOM 1091 C THR A 69 7.428 11.927 6.949 1.00 0.00 C ATOM 1092 O THR A 69 7.006 10.819 7.216 1.00 0.00 O ATOM 1093 CB THR A 69 7.140 13.926 8.416 1.00 0.00 C ATOM 1094 OG1 THR A 69 7.786 14.782 9.347 1.00 0.00 O ATOM 1095 CG2 THR A 69 5.887 13.327 9.058 1.00 0.00 C ATOM 0 HA THR A 69 8.338 12.197 8.883 1.00 0.00 H new ATOM 0 HB THR A 69 6.856 14.497 7.532 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.733 14.866 9.111 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.208 14.129 9.347 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.390 12.671 8.343 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.169 12.754 9.941 1.00 0.00 H new ATOM 1103 N LEU A 70 7.322 12.419 5.747 1.00 0.00 N ATOM 1104 CA LEU A 70 6.674 11.620 4.667 1.00 0.00 C ATOM 1105 C LEU A 70 7.385 10.264 4.546 1.00 0.00 C ATOM 1106 O LEU A 70 6.760 9.223 4.533 1.00 0.00 O ATOM 1107 CB LEU A 70 6.747 12.385 3.310 1.00 0.00 C ATOM 1108 CG LEU A 70 6.922 13.910 3.540 1.00 0.00 C ATOM 1109 CD1 LEU A 70 8.417 14.262 3.697 1.00 0.00 C ATOM 1110 CD2 LEU A 70 6.352 14.687 2.341 1.00 0.00 C ATOM 0 H LEU A 70 7.656 13.340 5.464 1.00 0.00 H new ATOM 0 HA LEU A 70 5.625 11.461 4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.580 12.005 2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.839 12.202 2.736 1.00 0.00 H new ATOM 0 HG LEU A 70 6.388 14.185 4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.523 15.335 3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.830 13.725 4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.955 13.975 2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.477 15.757 2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.882 14.397 1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.292 14.459 2.230 1.00 0.00 H new ATOM 1122 N GLU A 71 8.687 10.275 4.448 1.00 0.00 N ATOM 1123 CA GLU A 71 9.439 8.995 4.316 1.00 0.00 C ATOM 1124 C GLU A 71 9.417 8.232 5.642 1.00 0.00 C ATOM 1125 O GLU A 71 9.510 7.021 5.668 1.00 0.00 O ATOM 1126 CB GLU A 71 10.888 9.299 3.927 1.00 0.00 C ATOM 1127 CG GLU A 71 11.593 8.009 3.498 1.00 0.00 C ATOM 1128 CD GLU A 71 11.054 7.554 2.138 1.00 0.00 C ATOM 1129 OE1 GLU A 71 10.836 8.408 1.294 1.00 0.00 O ATOM 1130 OE2 GLU A 71 10.868 6.361 1.966 1.00 0.00 O ATOM 0 H GLU A 71 9.263 11.117 4.454 1.00 0.00 H new ATOM 0 HA GLU A 71 8.970 8.382 3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.911 10.024 3.114 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.414 9.748 4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.669 8.174 3.437 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.432 7.230 4.243 1.00 0.00 H new ATOM 1137 N VAL A 72 9.299 8.923 6.743 1.00 0.00 N ATOM 1138 CA VAL A 72 9.277 8.219 8.056 1.00 0.00 C ATOM 1139 C VAL A 72 7.938 7.519 8.232 1.00 0.00 C ATOM 1140 O VAL A 72 7.875 6.352 8.562 1.00 0.00 O ATOM 1141 CB VAL A 72 9.470 9.231 9.180 1.00 0.00 C ATOM 1142 CG1 VAL A 72 9.635 8.495 10.511 1.00 0.00 C ATOM 1143 CG2 VAL A 72 10.716 10.073 8.902 1.00 0.00 C ATOM 0 H VAL A 72 9.217 9.939 6.790 1.00 0.00 H new ATOM 0 HA VAL A 72 10.081 7.484 8.087 1.00 0.00 H new ATOM 0 HB VAL A 72 8.598 9.882 9.234 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.773 9.220 11.313 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.744 7.899 10.710 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.505 7.841 10.460 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.853 10.796 9.706 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.589 9.423 8.846 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.595 10.601 7.956 1.00 0.00 H new ATOM 1153 N HIS A 73 6.861 8.213 7.987 1.00 0.00 N ATOM 1154 CA HIS A 73 5.525 7.565 8.115 1.00 0.00 C ATOM 1155 C HIS A 73 5.537 6.320 7.235 1.00 0.00 C ATOM 1156 O HIS A 73 4.985 5.291 7.570 1.00 0.00 O ATOM 1157 CB HIS A 73 4.435 8.527 7.637 1.00 0.00 C ATOM 1158 CG HIS A 73 3.083 7.937 7.927 1.00 0.00 C ATOM 1159 ND1 HIS A 73 2.595 7.800 9.219 1.00 0.00 N ATOM 1160 CD2 HIS A 73 2.103 7.442 7.101 1.00 0.00 C ATOM 1161 CE1 HIS A 73 1.372 7.244 9.134 1.00 0.00 C ATOM 1162 NE2 HIS A 73 1.027 7.008 7.868 1.00 0.00 N ATOM 0 H HIS A 73 6.847 9.193 7.706 1.00 0.00 H new ATOM 0 HA HIS A 73 5.321 7.302 9.153 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.539 9.489 8.139 1.00 0.00 H new ATOM 0 HB3 HIS A 73 4.541 8.712 6.568 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.159 7.397 6.023 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.748 7.017 9.986 1.00 0.00 H new ATOM 0 HE2 HIS A 73 0.157 6.596 7.532 1.00 0.00 H new ATOM 1171 N ILE A 74 6.190 6.418 6.110 1.00 0.00 N ATOM 1172 CA ILE A 74 6.273 5.253 5.196 1.00 0.00 C ATOM 1173 C ILE A 74 7.200 4.216 5.825 1.00 0.00 C ATOM 1174 O ILE A 74 6.923 3.034 5.813 1.00 0.00 O ATOM 1175 CB ILE A 74 6.808 5.700 3.831 1.00 0.00 C ATOM 1176 CG1 ILE A 74 5.751 6.579 3.150 1.00 0.00 C ATOM 1177 CG2 ILE A 74 7.096 4.473 2.954 1.00 0.00 C ATOM 1178 CD1 ILE A 74 6.357 7.263 1.925 1.00 0.00 C ATOM 0 H ILE A 74 6.670 7.258 5.787 1.00 0.00 H new ATOM 0 HA ILE A 74 5.286 4.817 5.045 1.00 0.00 H new ATOM 0 HB ILE A 74 7.732 6.262 3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.896 5.971 2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.382 7.328 3.850 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.476 4.799 1.986 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.840 3.843 3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.177 3.905 2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.602 7.886 1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.197 7.885 2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.704 6.507 1.221 1.00 0.00 H new ATOM 1190 N HIS A 75 8.295 4.650 6.381 1.00 0.00 N ATOM 1191 CA HIS A 75 9.227 3.679 7.014 1.00 0.00 C ATOM 1192 C HIS A 75 8.499 2.969 8.155 1.00 0.00 C ATOM 1193 O HIS A 75 8.704 1.797 8.405 1.00 0.00 O ATOM 1194 CB HIS A 75 10.447 4.424 7.563 1.00 0.00 C ATOM 1195 CG HIS A 75 11.441 3.433 8.101 1.00 0.00 C ATOM 1196 ND1 HIS A 75 12.010 2.448 7.305 1.00 0.00 N ATOM 1197 CD2 HIS A 75 11.981 3.262 9.352 1.00 0.00 C ATOM 1198 CE1 HIS A 75 12.850 1.736 8.079 1.00 0.00 C ATOM 1199 NE2 HIS A 75 12.867 2.192 9.333 1.00 0.00 N ATOM 0 H HIS A 75 8.583 5.627 6.425 1.00 0.00 H new ATOM 0 HA HIS A 75 9.559 2.947 6.277 1.00 0.00 H new ATOM 0 HB2 HIS A 75 10.905 5.023 6.776 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.141 5.113 8.351 1.00 0.00 H new ATOM 0 HD2 HIS A 75 11.752 3.866 10.217 1.00 0.00 H new ATOM 0 HE1 HIS A 75 13.437 0.900 7.729 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.415 1.831 10.114 1.00 0.00 H new ATOM 1208 N ASN A 76 7.642 3.673 8.842 1.00 0.00 N ATOM 1209 CA ASN A 76 6.893 3.044 9.963 1.00 0.00 C ATOM 1210 C ASN A 76 5.816 2.119 9.398 1.00 0.00 C ATOM 1211 O ASN A 76 5.585 1.039 9.905 1.00 0.00 O ATOM 1212 CB ASN A 76 6.236 4.135 10.813 1.00 0.00 C ATOM 1213 CG ASN A 76 7.319 5.020 11.431 1.00 0.00 C ATOM 1214 OD1 ASN A 76 8.478 4.918 11.080 1.00 0.00 O ATOM 1215 ND2 ASN A 76 6.989 5.892 12.345 1.00 0.00 N ATOM 0 H ASN A 76 7.429 4.656 8.675 1.00 0.00 H new ATOM 0 HA ASN A 76 7.580 2.467 10.582 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.567 4.737 10.198 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.629 3.684 11.597 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.704 6.487 12.764 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.016 5.978 12.640 1.00 0.00 H new ATOM 1222 N LEU A 77 5.148 2.534 8.356 1.00 0.00 N ATOM 1223 CA LEU A 77 4.080 1.672 7.772 1.00 0.00 C ATOM 1224 C LEU A 77 4.734 0.432 7.154 1.00 0.00 C ATOM 1225 O LEU A 77 4.255 -0.673 7.297 1.00 0.00 O ATOM 1226 CB LEU A 77 3.261 2.510 6.736 1.00 0.00 C ATOM 1227 CG LEU A 77 3.544 2.126 5.255 1.00 0.00 C ATOM 1228 CD1 LEU A 77 2.975 0.714 4.923 1.00 0.00 C ATOM 1229 CD2 LEU A 77 2.900 3.177 4.321 1.00 0.00 C ATOM 0 H LEU A 77 5.294 3.427 7.886 1.00 0.00 H new ATOM 0 HA LEU A 77 3.380 1.328 8.534 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.198 2.382 6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.487 3.567 6.877 1.00 0.00 H new ATOM 0 HG LEU A 77 4.623 2.103 5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.187 0.472 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.442 -0.028 5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.897 0.709 5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.097 2.910 3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.824 3.204 4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.325 4.159 4.530 1.00 0.00 H new ATOM 1241 N ARG A 78 5.823 0.617 6.470 1.00 0.00 N ATOM 1242 CA ARG A 78 6.525 -0.533 5.828 1.00 0.00 C ATOM 1243 C ARG A 78 6.729 -1.667 6.838 1.00 0.00 C ATOM 1244 O ARG A 78 6.409 -2.808 6.573 1.00 0.00 O ATOM 1245 CB ARG A 78 7.888 -0.057 5.319 1.00 0.00 C ATOM 1246 CG ARG A 78 8.572 -1.179 4.534 1.00 0.00 C ATOM 1247 CD ARG A 78 9.917 -0.685 3.998 1.00 0.00 C ATOM 1248 NE ARG A 78 9.722 0.595 3.261 1.00 0.00 N ATOM 1249 CZ ARG A 78 10.755 1.322 2.929 1.00 0.00 C ATOM 1250 NH1 ARG A 78 11.960 0.925 3.237 1.00 0.00 N ATOM 1251 NH2 ARG A 78 10.583 2.445 2.289 1.00 0.00 N ATOM 0 H ARG A 78 6.265 1.525 6.324 1.00 0.00 H new ATOM 0 HA ARG A 78 5.921 -0.906 5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.763 0.819 4.683 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.514 0.245 6.158 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.722 -2.047 5.176 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.936 -1.499 3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.617 -0.539 4.821 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.354 -1.434 3.337 1.00 0.00 H new ATOM 0 HE ARG A 78 8.781 0.904 3.016 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.095 0.046 3.737 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.766 1.493 2.977 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.642 2.756 2.048 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.390 3.013 2.030 1.00 0.00 H new ATOM 1265 N GLU A 79 7.277 -1.367 7.981 1.00 0.00 N ATOM 1266 CA GLU A 79 7.521 -2.435 8.993 1.00 0.00 C ATOM 1267 C GLU A 79 6.200 -3.068 9.439 1.00 0.00 C ATOM 1268 O GLU A 79 6.161 -4.210 9.854 1.00 0.00 O ATOM 1269 CB GLU A 79 8.230 -1.829 10.204 1.00 0.00 C ATOM 1270 CG GLU A 79 9.545 -1.186 9.756 1.00 0.00 C ATOM 1271 CD GLU A 79 10.165 -0.419 10.925 1.00 0.00 C ATOM 1272 OE1 GLU A 79 9.797 0.729 11.117 1.00 0.00 O ATOM 1273 OE2 GLU A 79 11.000 -0.990 11.606 1.00 0.00 O ATOM 0 H GLU A 79 7.567 -0.430 8.260 1.00 0.00 H new ATOM 0 HA GLU A 79 8.144 -3.209 8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.591 -1.084 10.678 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.425 -2.601 10.948 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.235 -1.953 9.404 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.365 -0.511 8.919 1.00 0.00 H new ATOM 1280 N LYS A 80 5.121 -2.337 9.382 1.00 0.00 N ATOM 1281 CA LYS A 80 3.814 -2.899 9.829 1.00 0.00 C ATOM 1282 C LYS A 80 3.264 -3.894 8.799 1.00 0.00 C ATOM 1283 O LYS A 80 2.781 -4.952 9.149 1.00 0.00 O ATOM 1284 CB LYS A 80 2.811 -1.757 10.017 1.00 0.00 C ATOM 1285 CG LYS A 80 3.212 -0.916 11.231 1.00 0.00 C ATOM 1286 CD LYS A 80 2.212 0.227 11.414 1.00 0.00 C ATOM 1287 CE LYS A 80 2.693 1.153 12.532 1.00 0.00 C ATOM 1288 NZ LYS A 80 1.636 2.158 12.834 1.00 0.00 N ATOM 0 H LYS A 80 5.087 -1.375 9.045 1.00 0.00 H new ATOM 0 HA LYS A 80 3.966 -3.425 10.771 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.783 -1.134 9.123 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.808 -2.160 10.156 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.237 -1.538 12.126 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.216 -0.516 11.093 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.109 0.786 10.484 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.227 -0.173 11.657 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.924 0.573 13.425 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.613 1.656 12.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.963 2.788 13.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.437 2.719 11.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.769 1.670 13.138 1.00 0.00 H new ATOM 1302 N ILE A 81 3.304 -3.561 7.534 1.00 0.00 N ATOM 1303 CA ILE A 81 2.752 -4.488 6.503 1.00 0.00 C ATOM 1304 C ILE A 81 3.719 -5.643 6.244 1.00 0.00 C ATOM 1305 O ILE A 81 3.333 -6.685 5.753 1.00 0.00 O ATOM 1306 CB ILE A 81 2.521 -3.728 5.193 1.00 0.00 C ATOM 1307 CG1 ILE A 81 3.790 -2.972 4.798 1.00 0.00 C ATOM 1308 CG2 ILE A 81 1.373 -2.732 5.376 1.00 0.00 C ATOM 1309 CD1 ILE A 81 3.608 -2.372 3.402 1.00 0.00 C ATOM 0 H ILE A 81 3.694 -2.690 7.172 1.00 0.00 H new ATOM 0 HA ILE A 81 1.808 -4.889 6.873 1.00 0.00 H new ATOM 0 HB ILE A 81 2.268 -4.440 4.407 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.997 -2.183 5.521 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.647 -3.646 4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.209 -2.191 4.444 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.465 -3.270 5.649 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.627 -2.025 6.166 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.511 -1.832 3.117 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.421 -3.171 2.684 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.762 -1.685 3.409 1.00 0.00 H new ATOM 1321 N GLY A 82 4.974 -5.468 6.546 1.00 0.00 N ATOM 1322 CA GLY A 82 5.961 -6.558 6.290 1.00 0.00 C ATOM 1323 C GLY A 82 6.413 -6.471 4.834 1.00 0.00 C ATOM 1324 O GLY A 82 5.915 -7.165 3.970 1.00 0.00 O ATOM 0 H GLY A 82 5.361 -4.619 6.959 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.816 -6.459 6.959 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.511 -7.531 6.489 1.00 0.00 H new ATOM 1328 N LYS A 83 7.349 -5.607 4.563 1.00 0.00 N ATOM 1329 CA LYS A 83 7.858 -5.431 3.169 1.00 0.00 C ATOM 1330 C LYS A 83 8.105 -6.791 2.508 1.00 0.00 C ATOM 1331 O LYS A 83 8.260 -6.884 1.306 1.00 0.00 O ATOM 1332 CB LYS A 83 9.167 -4.637 3.201 1.00 0.00 C ATOM 1333 CG LYS A 83 10.105 -5.238 4.250 1.00 0.00 C ATOM 1334 CD LYS A 83 11.474 -4.563 4.160 1.00 0.00 C ATOM 1335 CE LYS A 83 12.450 -5.261 5.111 1.00 0.00 C ATOM 1336 NZ LYS A 83 13.816 -4.693 4.926 1.00 0.00 N ATOM 0 H LYS A 83 7.792 -5.005 5.257 1.00 0.00 H new ATOM 0 HA LYS A 83 7.109 -4.891 2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.641 -4.658 2.220 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.965 -3.592 3.435 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.686 -5.103 5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.206 -6.311 4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.849 -4.611 3.138 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.389 -3.508 4.419 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.126 -5.128 6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.461 -6.333 4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.479 -5.167 5.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.124 -4.841 3.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.799 -3.674 5.133 1.00 0.00 H new ATOM 1350 N SER A 84 8.155 -7.846 3.275 1.00 0.00 N ATOM 1351 CA SER A 84 8.403 -9.191 2.681 1.00 0.00 C ATOM 1352 C SER A 84 7.462 -9.417 1.497 1.00 0.00 C ATOM 1353 O SER A 84 7.867 -9.883 0.450 1.00 0.00 O ATOM 1354 CB SER A 84 8.156 -10.266 3.739 1.00 0.00 C ATOM 1355 OG SER A 84 6.761 -10.358 3.999 1.00 0.00 O ATOM 0 H SER A 84 8.035 -7.835 4.288 1.00 0.00 H new ATOM 0 HA SER A 84 9.435 -9.247 2.335 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.537 -11.227 3.393 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.693 -10.021 4.655 1.00 0.00 H new ATOM 0 HG SER A 84 6.599 -11.048 4.676 1.00 0.00 H new ATOM 1361 N ARG A 85 6.204 -9.100 1.655 1.00 0.00 N ATOM 1362 CA ARG A 85 5.230 -9.307 0.537 1.00 0.00 C ATOM 1363 C ARG A 85 5.262 -8.113 -0.424 1.00 0.00 C ATOM 1364 O ARG A 85 4.434 -8.009 -1.308 1.00 0.00 O ATOM 1365 CB ARG A 85 3.820 -9.453 1.114 1.00 0.00 C ATOM 1366 CG ARG A 85 3.825 -10.474 2.260 1.00 0.00 C ATOM 1367 CD ARG A 85 4.393 -11.820 1.777 1.00 0.00 C ATOM 1368 NE ARG A 85 5.882 -11.770 1.801 1.00 0.00 N ATOM 1369 CZ ARG A 85 6.577 -12.698 1.197 1.00 0.00 C ATOM 1370 NH1 ARG A 85 5.966 -13.669 0.575 1.00 0.00 N ATOM 1371 NH2 ARG A 85 7.881 -12.653 1.216 1.00 0.00 N ATOM 0 H ARG A 85 5.807 -8.707 2.508 1.00 0.00 H new ATOM 0 HA ARG A 85 5.504 -10.210 -0.009 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.465 -8.488 1.477 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.130 -9.774 0.333 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.423 -10.096 3.089 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.811 -10.614 2.636 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.036 -12.628 2.416 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.042 -12.033 0.767 1.00 0.00 H new ATOM 0 HE ARG A 85 6.359 -11.012 2.289 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.947 -13.704 0.560 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.508 -14.393 0.104 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.358 -11.894 1.702 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.423 -13.377 0.745 1.00 0.00 H new ATOM 1385 N ILE A 86 6.214 -7.219 -0.269 1.00 0.00 N ATOM 1386 CA ILE A 86 6.313 -6.021 -1.176 1.00 0.00 C ATOM 1387 C ILE A 86 7.632 -6.074 -1.957 1.00 0.00 C ATOM 1388 O ILE A 86 8.563 -6.757 -1.578 1.00 0.00 O ATOM 1389 CB ILE A 86 6.301 -4.741 -0.329 1.00 0.00 C ATOM 1390 CG1 ILE A 86 5.090 -4.745 0.622 1.00 0.00 C ATOM 1391 CG2 ILE A 86 6.245 -3.506 -1.238 1.00 0.00 C ATOM 1392 CD1 ILE A 86 3.781 -4.949 -0.156 1.00 0.00 C ATOM 0 H ILE A 86 6.933 -7.267 0.452 1.00 0.00 H new ATOM 0 HA ILE A 86 5.470 -6.025 -1.867 1.00 0.00 H new ATOM 0 HB ILE A 86 7.216 -4.705 0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.206 -5.538 1.361 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.049 -3.803 1.169 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.237 -2.604 -0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.118 -3.494 -1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.340 -3.541 -1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.941 -4.948 0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.657 -4.141 -0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.815 -5.903 -0.682 1.00 0.00 H new ATOM 1404 N ARG A 87 7.715 -5.336 -3.038 1.00 0.00 N ATOM 1405 CA ARG A 87 8.966 -5.298 -3.864 1.00 0.00 C ATOM 1406 C ARG A 87 9.281 -3.835 -4.192 1.00 0.00 C ATOM 1407 O ARG A 87 8.570 -3.192 -4.940 1.00 0.00 O ATOM 1408 CB ARG A 87 8.747 -6.078 -5.163 1.00 0.00 C ATOM 1409 CG ARG A 87 10.076 -6.214 -5.909 1.00 0.00 C ATOM 1410 CD ARG A 87 9.862 -7.020 -7.193 1.00 0.00 C ATOM 1411 NE ARG A 87 11.076 -6.919 -8.051 1.00 0.00 N ATOM 1412 CZ ARG A 87 12.171 -7.544 -7.711 1.00 0.00 C ATOM 1413 NH1 ARG A 87 12.205 -8.254 -6.617 1.00 0.00 N ATOM 1414 NH2 ARG A 87 13.231 -7.457 -8.467 1.00 0.00 N ATOM 0 H ARG A 87 6.958 -4.749 -3.389 1.00 0.00 H new ATOM 0 HA ARG A 87 9.793 -5.748 -3.315 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.339 -7.065 -4.943 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.018 -5.564 -5.789 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.473 -5.228 -6.148 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.812 -6.709 -5.275 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.661 -8.063 -6.951 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.991 -6.644 -7.730 1.00 0.00 H new ATOM 0 HE ARG A 87 11.052 -6.361 -8.905 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.376 -8.321 -6.027 1.00 0.00 H new ATOM 0 HH12 ARG A 87 13.061 -8.742 -6.352 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.203 -6.901 -9.322 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.087 -7.945 -8.203 1.00 0.00 H new ATOM 1428 N THR A 88 10.330 -3.295 -3.624 1.00 0.00 N ATOM 1429 CA THR A 88 10.681 -1.864 -3.885 1.00 0.00 C ATOM 1430 C THR A 88 11.563 -1.753 -5.131 1.00 0.00 C ATOM 1431 O THR A 88 12.464 -2.542 -5.340 1.00 0.00 O ATOM 1432 CB THR A 88 11.445 -1.301 -2.675 1.00 0.00 C ATOM 1433 OG1 THR A 88 12.823 -1.626 -2.799 1.00 0.00 O ATOM 1434 CG2 THR A 88 10.895 -1.912 -1.380 1.00 0.00 C ATOM 0 H THR A 88 10.961 -3.784 -2.989 1.00 0.00 H new ATOM 0 HA THR A 88 9.764 -1.298 -4.046 1.00 0.00 H new ATOM 0 HB THR A 88 11.321 -0.219 -2.642 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.314 -1.268 -2.030 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.441 -1.509 -0.527 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.837 -1.667 -1.283 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.016 -2.995 -1.409 1.00 0.00 H new ATOM 1442 N VAL A 89 11.304 -0.771 -5.962 1.00 0.00 N ATOM 1443 CA VAL A 89 12.112 -0.581 -7.210 1.00 0.00 C ATOM 1444 C VAL A 89 13.115 0.557 -7.004 1.00 0.00 C ATOM 1445 O VAL A 89 12.779 1.720 -7.099 1.00 0.00 O ATOM 1446 CB VAL A 89 11.174 -0.218 -8.364 1.00 0.00 C ATOM 1447 CG1 VAL A 89 11.957 -0.215 -9.678 1.00 0.00 C ATOM 1448 CG2 VAL A 89 10.047 -1.251 -8.447 1.00 0.00 C ATOM 0 H VAL A 89 10.560 -0.086 -5.828 1.00 0.00 H new ATOM 0 HA VAL A 89 12.648 -1.502 -7.440 1.00 0.00 H new ATOM 0 HB VAL A 89 10.751 0.772 -8.191 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.289 0.044 -10.499 1.00 0.00 H new ATOM 0 HG12 VAL A 89 12.762 0.518 -9.620 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.380 -1.205 -9.852 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.378 -0.994 -9.268 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.472 -2.240 -8.621 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.488 -1.255 -7.511 1.00 0.00 H new ATOM 1509 N GLY A 93 9.780 3.961 -6.845 1.00 0.00 N ATOM 1510 CA GLY A 93 8.315 3.709 -6.680 1.00 0.00 C ATOM 1511 C GLY A 93 8.118 2.433 -5.867 1.00 0.00 C ATOM 1512 O GLY A 93 8.927 2.085 -5.029 1.00 0.00 O ATOM 0 HA2 GLY A 93 7.842 4.553 -6.177 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.838 3.611 -7.655 1.00 0.00 H new ATOM 1516 N TYR A 94 7.049 1.727 -6.111 1.00 0.00 N ATOM 1517 CA TYR A 94 6.788 0.463 -5.363 1.00 0.00 C ATOM 1518 C TYR A 94 5.975 -0.471 -6.255 1.00 0.00 C ATOM 1519 O TYR A 94 5.346 -0.047 -7.204 1.00 0.00 O ATOM 1520 CB TYR A 94 6.008 0.782 -4.075 1.00 0.00 C ATOM 1521 CG TYR A 94 6.970 1.191 -2.981 1.00 0.00 C ATOM 1522 CD1 TYR A 94 7.402 2.519 -2.890 1.00 0.00 C ATOM 1523 CD2 TYR A 94 7.433 0.239 -2.066 1.00 0.00 C ATOM 1524 CE1 TYR A 94 8.295 2.894 -1.883 1.00 0.00 C ATOM 1525 CE2 TYR A 94 8.327 0.613 -1.059 1.00 0.00 C ATOM 1526 CZ TYR A 94 8.759 1.942 -0.967 1.00 0.00 C ATOM 1527 OH TYR A 94 9.642 2.313 0.027 1.00 0.00 O ATOM 0 H TYR A 94 6.339 1.972 -6.801 1.00 0.00 H new ATOM 0 HA TYR A 94 7.728 -0.018 -5.092 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.293 1.583 -4.261 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.435 -0.090 -3.761 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.046 3.253 -3.597 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.099 -0.786 -2.138 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.628 3.919 -1.811 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.684 -0.122 -0.353 1.00 0.00 H new ATOM 0 HH TYR A 94 10.472 1.800 -0.064 1.00 0.00 H new ATOM 1537 N MET A 95 5.986 -1.740 -5.964 1.00 0.00 N ATOM 1538 CA MET A 95 5.217 -2.700 -6.807 1.00 0.00 C ATOM 1539 C MET A 95 4.990 -4.001 -6.044 1.00 0.00 C ATOM 1540 O MET A 95 5.899 -4.573 -5.478 1.00 0.00 O ATOM 1541 CB MET A 95 6.006 -2.997 -8.081 1.00 0.00 C ATOM 1542 CG MET A 95 5.137 -3.805 -9.046 1.00 0.00 C ATOM 1543 SD MET A 95 6.051 -4.102 -10.581 1.00 0.00 S ATOM 1544 CE MET A 95 6.854 -5.646 -10.082 1.00 0.00 C ATOM 0 H MET A 95 6.492 -2.155 -5.182 1.00 0.00 H new ATOM 0 HA MET A 95 4.253 -2.259 -7.060 1.00 0.00 H new ATOM 0 HB2 MET A 95 6.320 -2.065 -8.552 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.912 -3.553 -7.839 1.00 0.00 H new ATOM 0 HG2 MET A 95 4.854 -4.754 -8.590 1.00 0.00 H new ATOM 0 HG3 MET A 95 4.214 -3.266 -9.259 1.00 0.00 H new ATOM 0 HE1 MET A 95 7.479 -6.011 -10.897 1.00 0.00 H new ATOM 0 HE2 MET A 95 7.473 -5.467 -9.203 1.00 0.00 H new ATOM 0 HE3 MET A 95 6.094 -6.391 -9.845 1.00 0.00 H new ATOM 1554 N LEU A 96 3.776 -4.478 -6.037 1.00 0.00 N ATOM 1555 CA LEU A 96 3.466 -5.758 -5.324 1.00 0.00 C ATOM 1556 C LEU A 96 3.658 -6.926 -6.299 1.00 0.00 C ATOM 1557 O LEU A 96 3.201 -6.890 -7.424 1.00 0.00 O ATOM 1558 CB LEU A 96 2.009 -5.716 -4.824 1.00 0.00 C ATOM 1559 CG LEU A 96 1.932 -4.953 -3.493 1.00 0.00 C ATOM 1560 CD1 LEU A 96 2.575 -3.570 -3.647 1.00 0.00 C ATOM 1561 CD2 LEU A 96 0.466 -4.795 -3.082 1.00 0.00 C ATOM 0 H LEU A 96 2.979 -4.037 -6.496 1.00 0.00 H new ATOM 0 HA LEU A 96 4.131 -5.888 -4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.375 -5.233 -5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.631 -6.730 -4.694 1.00 0.00 H new ATOM 0 HG LEU A 96 2.468 -5.512 -2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.517 -3.034 -2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.620 -3.685 -3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.046 -3.006 -4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.409 -4.254 -2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.070 -4.239 -3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.013 -5.779 -2.964 1.00 0.00 H new ATOM 1573 N ALA A 97 4.335 -7.957 -5.875 1.00 0.00 N ATOM 1574 CA ALA A 97 4.562 -9.123 -6.775 1.00 0.00 C ATOM 1575 C ALA A 97 3.221 -9.644 -7.293 1.00 0.00 C ATOM 1576 O ALA A 97 2.408 -10.148 -6.542 1.00 0.00 O ATOM 1577 CB ALA A 97 5.276 -10.233 -6.002 1.00 0.00 C ATOM 0 H ALA A 97 4.741 -8.043 -4.943 1.00 0.00 H new ATOM 0 HA ALA A 97 5.178 -8.812 -7.619 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.442 -11.086 -6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.235 -9.864 -5.637 1.00 0.00 H new ATOM 0 HB3 ALA A 97 4.661 -10.541 -5.157 1.00 0.00 H new ATOM 1583 N ASN A 98 2.984 -9.531 -8.572 1.00 0.00 N ATOM 1584 CA ASN A 98 1.696 -10.024 -9.142 1.00 0.00 C ATOM 1585 C ASN A 98 1.752 -11.547 -9.271 1.00 0.00 C ATOM 1586 O ASN A 98 2.308 -12.079 -10.212 1.00 0.00 O ATOM 1587 CB ASN A 98 1.480 -9.404 -10.524 1.00 0.00 C ATOM 1588 CG ASN A 98 0.102 -9.806 -11.055 1.00 0.00 C ATOM 1589 OD1 ASN A 98 -0.611 -10.556 -10.420 1.00 0.00 O ATOM 1590 ND2 ASN A 98 -0.305 -9.335 -12.202 1.00 0.00 N ATOM 0 H ASN A 98 3.627 -9.118 -9.248 1.00 0.00 H new ATOM 0 HA ASN A 98 0.873 -9.742 -8.485 1.00 0.00 H new ATOM 0 HB2 ASN A 98 1.555 -8.318 -10.463 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.258 -9.739 -11.210 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -1.222 -9.597 -12.565 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.294 -8.705 -12.736 1.00 0.00 H new