USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 460 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 55 THR OG1 : rot 120:sc= -1.02 USER MOD Set 1.2: A 57 SER OG : rot -90:sc= 1.1 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 170:sc= -1.51 USER MOD Single : A 9 THR OG1 : rot -19:sc= -0.186 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 36:sc= 0.178 USER MOD Single : A 14 THR OG1 : rot 1:sc= -0.0561 USER MOD Single : A 20 SER OG : rot -34:sc= 1.05 USER MOD Single : A 22 THR OG1 : rot 102:sc= 0.442 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0736 F(o=-0.72!,f=-0.074) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -15.5! C(o=-15!,f=-21!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -5.8! C(o=-5.8!,f=-6.2!) USER MOD Single : A 41 GLN : amide:sc= -0.035 X(o=-0.035,f=-0.035) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0739) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 59 TYR OH : rot 165:sc= -0.0313 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -108:sc= 1.16 USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 16 N GLN A 2 0.507 -5.794 10.573 1.00 0.00 N ATOM 17 CA GLN A 2 1.154 -4.495 10.497 1.00 0.00 C ATOM 18 C GLN A 2 2.291 -4.527 9.474 1.00 0.00 C ATOM 19 O GLN A 2 3.378 -5.024 9.765 1.00 0.00 O ATOM 20 CB GLN A 2 1.666 -4.056 11.871 1.00 0.00 C ATOM 21 CG GLN A 2 2.795 -4.968 12.353 1.00 0.00 C ATOM 22 CD GLN A 2 2.842 -5.024 13.882 1.00 0.00 C ATOM 23 OE1 GLN A 2 2.183 -5.828 14.519 1.00 0.00 O ATOM 24 NE2 GLN A 2 3.655 -4.125 14.431 1.00 0.00 N ATOM 0 HA GLN A 2 0.416 -3.763 10.169 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.022 -3.027 11.818 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.847 -4.073 12.591 1.00 0.00 H new ATOM 0 HG2 GLN A 2 2.652 -5.972 11.953 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.749 -4.605 11.970 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.178 -3.481 13.838 1.00 0.00 H new ATOM 0 HE22 GLN A 2 3.755 -4.080 15.445 1.00 0.00 H new ATOM 31 N ILE A 3 2.001 -3.990 8.298 1.00 0.00 N ATOM 32 CA ILE A 3 2.984 -3.952 7.230 1.00 0.00 C ATOM 33 C ILE A 3 3.532 -2.529 7.098 1.00 0.00 C ATOM 34 O ILE A 3 3.253 -1.672 7.935 1.00 0.00 O ATOM 35 CB ILE A 3 2.391 -4.505 5.933 1.00 0.00 C ATOM 36 CG1 ILE A 3 1.300 -3.580 5.391 1.00 0.00 C ATOM 37 CG2 ILE A 3 1.884 -5.935 6.128 1.00 0.00 C ATOM 38 CD1 ILE A 3 0.956 -3.926 3.941 1.00 0.00 C ATOM 0 H ILE A 3 1.099 -3.578 8.062 1.00 0.00 H new ATOM 0 HA ILE A 3 3.828 -4.599 7.467 1.00 0.00 H new ATOM 0 HB ILE A 3 3.183 -4.543 5.185 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.407 -3.664 6.010 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.634 -2.544 5.452 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.467 -6.304 5.191 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.711 -6.575 6.435 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.112 -5.946 6.897 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.178 -3.253 3.581 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.845 -3.817 3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.599 -4.955 3.887 1.00 0.00 H new ATOM 49 N PHE A 4 4.301 -2.320 6.039 1.00 0.00 N ATOM 50 CA PHE A 4 4.889 -1.017 5.786 1.00 0.00 C ATOM 51 C PHE A 4 4.829 -0.666 4.298 1.00 0.00 C ATOM 52 O PHE A 4 4.769 -1.555 3.450 1.00 0.00 O ATOM 53 CB PHE A 4 6.354 -1.095 6.221 1.00 0.00 C ATOM 54 CG PHE A 4 6.558 -1.675 7.621 1.00 0.00 C ATOM 55 CD1 PHE A 4 6.049 -1.032 8.705 1.00 0.00 C ATOM 56 CD2 PHE A 4 7.249 -2.836 7.782 1.00 0.00 C ATOM 57 CE1 PHE A 4 6.238 -1.571 10.006 1.00 0.00 C ATOM 58 CE2 PHE A 4 7.437 -3.376 9.082 1.00 0.00 C ATOM 59 CZ PHE A 4 6.928 -2.732 10.166 1.00 0.00 C ATOM 0 H PHE A 4 4.530 -3.033 5.346 1.00 0.00 H new ATOM 0 HA PHE A 4 4.342 -0.250 6.334 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.903 -1.704 5.503 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.786 -0.095 6.187 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.500 -0.111 8.577 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.655 -3.347 6.921 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.834 -1.059 10.867 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.984 -4.298 9.210 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.072 -3.143 11.154 1.00 0.00 H new ATOM 68 N VAL A 5 4.847 0.631 4.027 1.00 0.00 N ATOM 69 CA VAL A 5 4.795 1.109 2.656 1.00 0.00 C ATOM 70 C VAL A 5 5.928 2.112 2.427 1.00 0.00 C ATOM 71 O VAL A 5 6.238 2.914 3.306 1.00 0.00 O ATOM 72 CB VAL A 5 3.412 1.691 2.357 1.00 0.00 C ATOM 73 CG1 VAL A 5 3.347 2.249 0.934 1.00 0.00 C ATOM 74 CG2 VAL A 5 2.317 0.648 2.588 1.00 0.00 C ATOM 0 H VAL A 5 4.897 1.365 4.733 1.00 0.00 H new ATOM 0 HA VAL A 5 4.944 0.285 1.958 1.00 0.00 H new ATOM 0 HB VAL A 5 3.240 2.516 3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.353 2.656 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.090 3.038 0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.551 1.451 0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.344 1.087 2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.485 -0.207 1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.341 0.320 3.627 1.00 0.00 H new ATOM 84 N LYS A 6 6.514 2.033 1.241 1.00 0.00 N ATOM 85 CA LYS A 6 7.605 2.924 0.886 1.00 0.00 C ATOM 86 C LYS A 6 7.069 4.055 0.005 1.00 0.00 C ATOM 87 O LYS A 6 5.878 4.359 0.037 1.00 0.00 O ATOM 88 CB LYS A 6 8.751 2.138 0.247 1.00 0.00 C ATOM 89 CG LYS A 6 10.076 2.422 0.960 1.00 0.00 C ATOM 90 CD LYS A 6 11.035 1.238 0.825 1.00 0.00 C ATOM 91 CE LYS A 6 12.250 1.410 1.741 1.00 0.00 C ATOM 92 NZ LYS A 6 13.489 1.010 1.037 1.00 0.00 N ATOM 0 H LYS A 6 6.254 1.366 0.514 1.00 0.00 H new ATOM 0 HA LYS A 6 8.025 3.387 1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.533 1.071 0.289 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.836 2.404 -0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.535 3.317 0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.890 2.625 2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.515 0.313 1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.365 1.149 -0.210 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.326 2.449 2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.124 0.806 2.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.304 1.132 1.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.419 0.012 0.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.616 1.604 0.193 1.00 0.00 H new ATOM 102 N THR A 7 7.975 4.646 -0.760 1.00 0.00 N ATOM 103 CA THR A 7 7.607 5.736 -1.648 1.00 0.00 C ATOM 104 C THR A 7 8.860 6.409 -2.213 1.00 0.00 C ATOM 105 O THR A 7 9.977 6.092 -1.805 1.00 0.00 O ATOM 106 CB THR A 7 6.702 6.694 -0.871 1.00 0.00 C ATOM 107 OG1 THR A 7 7.056 7.983 -1.364 1.00 0.00 O ATOM 108 CG2 THR A 7 7.053 6.756 0.616 1.00 0.00 C ATOM 0 H THR A 7 8.962 4.391 -0.783 1.00 0.00 H new ATOM 0 HA THR A 7 7.053 5.372 -2.513 1.00 0.00 H new ATOM 0 HB THR A 7 5.663 6.384 -0.986 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.413 8.646 -1.037 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.380 7.450 1.120 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.948 5.764 1.056 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.081 7.098 0.733 1.00 0.00 H new ATOM 116 N LEU A 8 8.632 7.323 -3.143 1.00 0.00 N ATOM 117 CA LEU A 8 9.728 8.044 -3.769 1.00 0.00 C ATOM 118 C LEU A 8 10.561 8.737 -2.689 1.00 0.00 C ATOM 119 O LEU A 8 11.704 9.120 -2.930 1.00 0.00 O ATOM 120 CB LEU A 8 9.200 8.996 -4.844 1.00 0.00 C ATOM 121 CG LEU A 8 9.680 10.445 -4.750 1.00 0.00 C ATOM 122 CD1 LEU A 8 11.147 10.567 -5.171 1.00 0.00 C ATOM 123 CD2 LEU A 8 8.773 11.377 -5.557 1.00 0.00 C ATOM 0 H LEU A 8 7.704 7.582 -3.479 1.00 0.00 H new ATOM 0 HA LEU A 8 10.391 7.352 -4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.483 8.603 -5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.111 8.991 -4.802 1.00 0.00 H new ATOM 0 HG LEU A 8 9.618 10.757 -3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.462 11.608 -5.095 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.765 9.952 -4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.259 10.229 -6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.137 12.401 -5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.780 11.074 -6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.756 11.320 -5.169 1.00 0.00 H new ATOM 134 N THR A 9 9.954 8.876 -1.519 1.00 0.00 N ATOM 135 CA THR A 9 10.624 9.516 -0.400 1.00 0.00 C ATOM 136 C THR A 9 11.275 8.467 0.504 1.00 0.00 C ATOM 137 O THR A 9 11.850 8.803 1.538 1.00 0.00 O ATOM 138 CB THR A 9 9.602 10.394 0.325 1.00 0.00 C ATOM 139 OG1 THR A 9 10.359 11.037 1.346 1.00 0.00 O ATOM 140 CG2 THR A 9 8.565 9.571 1.093 1.00 0.00 C ATOM 0 H THR A 9 9.006 8.556 -1.322 1.00 0.00 H new ATOM 0 HA THR A 9 11.439 10.155 -0.741 1.00 0.00 H new ATOM 0 HB THR A 9 9.096 11.034 -0.397 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.190 10.541 1.498 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.863 10.242 1.589 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.023 8.929 0.399 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.069 8.956 1.839 1.00 0.00 H new ATOM 148 N GLY A 10 11.162 7.217 0.081 1.00 0.00 N ATOM 149 CA GLY A 10 11.730 6.116 0.839 1.00 0.00 C ATOM 150 C GLY A 10 11.419 6.258 2.330 1.00 0.00 C ATOM 151 O GLY A 10 12.284 6.645 3.115 1.00 0.00 O ATOM 0 H GLY A 10 10.685 6.942 -0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.331 5.171 0.469 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.809 6.086 0.690 1.00 0.00 H new ATOM 155 N LYS A 11 10.181 5.937 2.677 1.00 0.00 N ATOM 156 CA LYS A 11 9.745 6.024 4.060 1.00 0.00 C ATOM 157 C LYS A 11 9.051 4.718 4.455 1.00 0.00 C ATOM 158 O LYS A 11 9.052 3.755 3.690 1.00 0.00 O ATOM 159 CB LYS A 11 8.880 7.269 4.271 1.00 0.00 C ATOM 160 CG LYS A 11 9.504 8.200 5.312 1.00 0.00 C ATOM 161 CD LYS A 11 9.023 9.640 5.119 1.00 0.00 C ATOM 162 CE LYS A 11 10.150 10.527 4.587 1.00 0.00 C ATOM 163 NZ LYS A 11 10.211 11.797 5.346 1.00 0.00 N ATOM 0 H LYS A 11 9.466 5.616 2.024 1.00 0.00 H new ATOM 0 HA LYS A 11 10.602 6.143 4.723 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.764 7.800 3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.882 6.972 4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.244 7.857 6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.591 8.162 5.234 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.183 9.657 4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.660 10.036 6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.102 10.003 4.667 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.988 10.736 3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.981 12.388 4.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.308 12.303 5.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.387 11.593 6.350 1.00 0.00 H new ATOM 173 N THR A 12 8.475 4.729 5.648 1.00 0.00 N ATOM 174 CA THR A 12 7.779 3.558 6.153 1.00 0.00 C ATOM 175 C THR A 12 6.558 3.976 6.975 1.00 0.00 C ATOM 176 O THR A 12 6.675 4.773 7.905 1.00 0.00 O ATOM 177 CB THR A 12 8.783 2.716 6.942 1.00 0.00 C ATOM 178 OG1 THR A 12 9.233 1.741 6.004 1.00 0.00 O ATOM 179 CG2 THR A 12 8.117 1.890 8.045 1.00 0.00 C ATOM 0 H THR A 12 8.476 5.530 6.279 1.00 0.00 H new ATOM 0 HA THR A 12 7.389 2.948 5.338 1.00 0.00 H new ATOM 0 HB THR A 12 9.536 3.369 7.382 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.287 2.145 5.113 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.874 1.311 8.574 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.615 2.557 8.746 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.387 1.213 7.602 1.00 0.00 H new ATOM 187 N ILE A 13 5.416 3.420 6.602 1.00 0.00 N ATOM 188 CA ILE A 13 4.174 3.725 7.293 1.00 0.00 C ATOM 189 C ILE A 13 3.496 2.421 7.715 1.00 0.00 C ATOM 190 O ILE A 13 3.262 1.543 6.886 1.00 0.00 O ATOM 191 CB ILE A 13 3.289 4.629 6.431 1.00 0.00 C ATOM 192 CG1 ILE A 13 3.117 4.047 5.026 1.00 0.00 C ATOM 193 CG2 ILE A 13 3.832 6.058 6.397 1.00 0.00 C ATOM 194 CD1 ILE A 13 1.646 3.736 4.738 1.00 0.00 C ATOM 0 H ILE A 13 5.324 2.760 5.830 1.00 0.00 H new ATOM 0 HA ILE A 13 4.374 4.289 8.204 1.00 0.00 H new ATOM 0 HB ILE A 13 2.299 4.673 6.886 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.495 4.754 4.287 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.710 3.138 4.930 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.184 6.679 5.778 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.860 6.461 7.410 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.839 6.055 5.979 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.551 3.324 3.733 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.279 3.011 5.464 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.059 4.652 4.811 1.00 0.00 H new ATOM 205 N THR A 14 3.199 2.335 9.003 1.00 0.00 N ATOM 206 CA THR A 14 2.552 1.152 9.545 1.00 0.00 C ATOM 207 C THR A 14 1.044 1.206 9.291 1.00 0.00 C ATOM 208 O THR A 14 0.379 2.166 9.679 1.00 0.00 O ATOM 209 CB THR A 14 2.916 1.051 11.027 1.00 0.00 C ATOM 210 OG1 THR A 14 4.084 0.235 11.042 1.00 0.00 O ATOM 211 CG2 THR A 14 1.890 0.247 11.829 1.00 0.00 C ATOM 0 H THR A 14 3.394 3.065 9.688 1.00 0.00 H new ATOM 0 HA THR A 14 2.901 0.247 9.048 1.00 0.00 H new ATOM 0 HB THR A 14 3.002 2.052 11.449 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.323 -0.010 10.124 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.196 0.206 12.874 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.914 0.727 11.755 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.828 -0.765 11.429 1.00 0.00 H new ATOM 219 N LEU A 15 0.547 0.163 8.643 1.00 0.00 N ATOM 220 CA LEU A 15 -0.871 0.079 8.334 1.00 0.00 C ATOM 221 C LEU A 15 -1.447 -1.199 8.945 1.00 0.00 C ATOM 222 O LEU A 15 -0.701 -2.095 9.338 1.00 0.00 O ATOM 223 CB LEU A 15 -1.098 0.197 6.825 1.00 0.00 C ATOM 224 CG LEU A 15 -1.595 1.554 6.325 1.00 0.00 C ATOM 225 CD1 LEU A 15 -3.124 1.589 6.263 1.00 0.00 C ATOM 226 CD2 LEU A 15 -1.030 2.693 7.176 1.00 0.00 C ATOM 0 H LEU A 15 1.101 -0.632 8.323 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.409 0.916 8.780 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.161 -0.034 6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.818 -0.564 6.526 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.228 1.699 5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.451 2.565 5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.478 0.815 5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.533 1.412 7.258 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.399 3.647 6.799 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.346 2.565 8.211 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.059 2.680 7.125 1.00 0.00 H new ATOM 237 N GLU A 16 -2.770 -1.243 9.008 1.00 0.00 N ATOM 238 CA GLU A 16 -3.454 -2.396 9.566 1.00 0.00 C ATOM 239 C GLU A 16 -4.328 -3.061 8.500 1.00 0.00 C ATOM 240 O GLU A 16 -5.555 -2.994 8.568 1.00 0.00 O ATOM 241 CB GLU A 16 -4.286 -2.002 10.789 1.00 0.00 C ATOM 242 CG GLU A 16 -3.434 -2.021 12.059 1.00 0.00 C ATOM 243 CD GLU A 16 -3.619 -3.332 12.826 1.00 0.00 C ATOM 244 OE1 GLU A 16 -4.785 -3.636 13.157 1.00 0.00 O ATOM 245 OE2 GLU A 16 -2.590 -4.002 13.061 1.00 0.00 O ATOM 0 H GLU A 16 -3.386 -0.498 8.682 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.704 -3.115 9.895 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.706 -1.007 10.643 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.125 -2.689 10.899 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.383 -1.894 11.798 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.708 -1.181 12.697 1.00 0.00 H new ATOM 250 N VAL A 17 -3.663 -3.687 7.541 1.00 0.00 N ATOM 251 CA VAL A 17 -4.363 -4.363 6.462 1.00 0.00 C ATOM 252 C VAL A 17 -4.670 -5.802 6.882 1.00 0.00 C ATOM 253 O VAL A 17 -4.561 -6.146 8.058 1.00 0.00 O ATOM 254 CB VAL A 17 -3.544 -4.279 5.173 1.00 0.00 C ATOM 255 CG1 VAL A 17 -3.360 -2.824 4.734 1.00 0.00 C ATOM 256 CG2 VAL A 17 -2.194 -4.978 5.334 1.00 0.00 C ATOM 0 H VAL A 17 -2.646 -3.740 7.488 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.315 -3.873 6.259 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.098 -4.798 4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.774 -2.792 3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.336 -2.371 4.558 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.839 -2.271 5.516 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.632 -4.903 4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.631 -4.502 6.137 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.355 -6.028 5.577 1.00 0.00 H new ATOM 266 N GLU A 18 -5.049 -6.604 5.897 1.00 0.00 N ATOM 267 CA GLU A 18 -5.372 -7.998 6.150 1.00 0.00 C ATOM 268 C GLU A 18 -4.792 -8.886 5.047 1.00 0.00 C ATOM 269 O GLU A 18 -4.596 -8.435 3.921 1.00 0.00 O ATOM 270 CB GLU A 18 -6.884 -8.196 6.275 1.00 0.00 C ATOM 271 CG GLU A 18 -7.236 -8.920 7.576 1.00 0.00 C ATOM 272 CD GLU A 18 -8.126 -10.135 7.303 1.00 0.00 C ATOM 273 OE1 GLU A 18 -9.001 -10.010 6.419 1.00 0.00 O ATOM 274 OE2 GLU A 18 -7.912 -11.160 7.985 1.00 0.00 O ATOM 0 H GLU A 18 -5.139 -6.315 4.923 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.921 -8.289 7.099 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.385 -7.228 6.246 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.251 -8.770 5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.322 -9.239 8.078 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.748 -8.234 8.251 1.00 0.00 H new ATOM 279 N PRO A 19 -4.526 -10.166 5.421 1.00 0.00 N ATOM 280 CA PRO A 19 -3.972 -11.122 4.476 1.00 0.00 C ATOM 281 C PRO A 19 -5.038 -11.595 3.487 1.00 0.00 C ATOM 282 O PRO A 19 -4.714 -12.153 2.440 1.00 0.00 O ATOM 283 CB PRO A 19 -3.417 -12.247 5.335 1.00 0.00 C ATOM 284 CG PRO A 19 -4.088 -12.106 6.691 1.00 0.00 C ATOM 285 CD PRO A 19 -4.744 -10.736 6.747 1.00 0.00 C ATOM 0 HA PRO A 19 -3.189 -10.692 3.852 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.632 -13.219 4.892 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.333 -12.171 5.426 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.831 -12.891 6.833 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.356 -12.212 7.492 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.807 -10.815 6.974 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.298 -10.115 7.523 1.00 0.00 H new ATOM 290 N SER A 20 -6.289 -11.354 3.854 1.00 0.00 N ATOM 291 CA SER A 20 -7.404 -11.750 3.010 1.00 0.00 C ATOM 292 C SER A 20 -8.000 -10.521 2.322 1.00 0.00 C ATOM 293 O SER A 20 -9.056 -10.607 1.696 1.00 0.00 O ATOM 294 CB SER A 20 -8.478 -12.476 3.823 1.00 0.00 C ATOM 295 OG SER A 20 -9.592 -12.855 3.018 1.00 0.00 O ATOM 0 H SER A 20 -6.554 -10.890 4.723 1.00 0.00 H new ATOM 0 HA SER A 20 -7.032 -12.439 2.252 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.045 -13.364 4.284 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.819 -11.830 4.632 1.00 0.00 H new ATOM 0 HG SER A 20 -9.735 -12.182 2.320 1.00 0.00 H new ATOM 300 N ASP A 21 -7.299 -9.405 2.461 1.00 0.00 N ATOM 301 CA ASP A 21 -7.746 -8.160 1.860 1.00 0.00 C ATOM 302 C ASP A 21 -7.135 -8.025 0.463 1.00 0.00 C ATOM 303 O ASP A 21 -6.029 -8.503 0.217 1.00 0.00 O ATOM 304 CB ASP A 21 -7.299 -6.955 2.691 1.00 0.00 C ATOM 305 CG ASP A 21 -8.054 -6.760 4.006 1.00 0.00 C ATOM 306 OD1 ASP A 21 -8.856 -7.660 4.339 1.00 0.00 O ATOM 307 OD2 ASP A 21 -7.814 -5.715 4.649 1.00 0.00 O ATOM 0 H ASP A 21 -6.424 -9.337 2.981 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.835 -8.180 1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.237 -7.059 2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.413 -6.054 2.087 1.00 0.00 H new ATOM 311 N THR A 22 -7.884 -7.371 -0.414 1.00 0.00 N ATOM 312 CA THR A 22 -7.430 -7.167 -1.779 1.00 0.00 C ATOM 313 C THR A 22 -6.420 -6.020 -1.839 1.00 0.00 C ATOM 314 O THR A 22 -6.526 -5.055 -1.085 1.00 0.00 O ATOM 315 CB THR A 22 -8.661 -6.940 -2.657 1.00 0.00 C ATOM 316 OG1 THR A 22 -8.128 -6.782 -3.969 1.00 0.00 O ATOM 317 CG2 THR A 22 -9.346 -5.602 -2.370 1.00 0.00 C ATOM 0 H THR A 22 -8.801 -6.976 -0.206 1.00 0.00 H new ATOM 0 HA THR A 22 -6.902 -8.043 -2.156 1.00 0.00 H new ATOM 0 HB THR A 22 -9.371 -7.752 -2.503 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.246 -7.614 -4.472 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.214 -5.491 -3.020 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.667 -5.573 -1.329 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.646 -4.788 -2.557 1.00 0.00 H new ATOM 325 N ILE A 23 -5.463 -6.163 -2.745 1.00 0.00 N ATOM 326 CA ILE A 23 -4.435 -5.150 -2.913 1.00 0.00 C ATOM 327 C ILE A 23 -5.088 -3.767 -2.944 1.00 0.00 C ATOM 328 O ILE A 23 -4.464 -2.774 -2.573 1.00 0.00 O ATOM 329 CB ILE A 23 -3.581 -5.454 -4.146 1.00 0.00 C ATOM 330 CG1 ILE A 23 -2.933 -6.836 -4.037 1.00 0.00 C ATOM 331 CG2 ILE A 23 -2.545 -4.353 -4.380 1.00 0.00 C ATOM 332 CD1 ILE A 23 -1.879 -6.862 -2.928 1.00 0.00 C ATOM 0 H ILE A 23 -5.378 -6.965 -3.370 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.748 -5.160 -2.067 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.235 -5.472 -5.018 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.698 -7.585 -3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.472 -7.101 -4.988 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.951 -4.593 -5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.054 -3.401 -4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.891 -4.279 -3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.434 -7.856 -2.872 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.103 -6.129 -3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.348 -6.620 -1.974 1.00 0.00 H new ATOM 343 N GLU A 24 -6.336 -3.746 -3.388 1.00 0.00 N ATOM 344 CA GLU A 24 -7.080 -2.501 -3.471 1.00 0.00 C ATOM 345 C GLU A 24 -7.337 -1.942 -2.071 1.00 0.00 C ATOM 346 O GLU A 24 -6.855 -0.862 -1.732 1.00 0.00 O ATOM 347 CB GLU A 24 -8.393 -2.697 -4.232 1.00 0.00 C ATOM 348 CG GLU A 24 -8.591 -1.597 -5.277 1.00 0.00 C ATOM 349 CD GLU A 24 -10.076 -1.388 -5.579 1.00 0.00 C ATOM 350 OE1 GLU A 24 -10.890 -1.743 -4.699 1.00 0.00 O ATOM 351 OE2 GLU A 24 -10.364 -0.879 -6.684 1.00 0.00 O ATOM 0 H GLU A 24 -6.851 -4.572 -3.694 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.481 -1.779 -4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.392 -3.671 -4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.228 -2.692 -3.531 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.155 -0.665 -4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.064 -1.862 -6.193 1.00 0.00 H new ATOM 356 N ASN A 25 -8.096 -2.701 -1.294 1.00 0.00 N ATOM 357 CA ASN A 25 -8.422 -2.294 0.062 1.00 0.00 C ATOM 358 C ASN A 25 -7.135 -1.925 0.802 1.00 0.00 C ATOM 359 O ASN A 25 -7.130 -1.014 1.629 1.00 0.00 O ATOM 360 CB ASN A 25 -9.100 -3.431 0.830 1.00 0.00 C ATOM 361 CG ASN A 25 -10.053 -2.882 1.893 1.00 0.00 C ATOM 362 OD1 ASN A 25 -9.707 -1.690 2.367 1.00 0.00 O flip ATOM 363 ND2 ASN A 25 -11.039 -3.501 2.258 1.00 0.00 N flip ATOM 0 H ASN A 25 -8.495 -3.596 -1.578 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.100 -1.443 0.005 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.651 -4.066 0.136 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.343 -4.057 1.303 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.247 -4.413 1.852 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.655 -3.106 2.969 1.00 0.00 H new ATOM 369 N VAL A 26 -6.075 -2.651 0.479 1.00 0.00 N ATOM 370 CA VAL A 26 -4.784 -2.410 1.104 1.00 0.00 C ATOM 371 C VAL A 26 -4.222 -1.077 0.606 1.00 0.00 C ATOM 372 O VAL A 26 -3.770 -0.255 1.400 1.00 0.00 O ATOM 373 CB VAL A 26 -3.848 -3.590 0.840 1.00 0.00 C ATOM 374 CG1 VAL A 26 -2.556 -3.456 1.649 1.00 0.00 C ATOM 375 CG2 VAL A 26 -4.544 -4.920 1.136 1.00 0.00 C ATOM 0 H VAL A 26 -6.083 -3.406 -0.207 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.891 -2.333 2.186 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.585 -3.578 -0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.908 -4.308 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.045 -2.535 1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.794 -3.430 2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.856 -5.742 0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.851 -4.945 2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.422 -5.021 0.498 1.00 0.00 H new ATOM 385 N LYS A 27 -4.269 -0.906 -0.707 1.00 0.00 N ATOM 386 CA LYS A 27 -3.770 0.313 -1.321 1.00 0.00 C ATOM 387 C LYS A 27 -4.802 1.429 -1.142 1.00 0.00 C ATOM 388 O LYS A 27 -4.552 2.575 -1.510 1.00 0.00 O ATOM 389 CB LYS A 27 -3.385 0.060 -2.780 1.00 0.00 C ATOM 390 CG LYS A 27 -4.450 0.608 -3.731 1.00 0.00 C ATOM 391 CD LYS A 27 -4.090 0.308 -5.188 1.00 0.00 C ATOM 392 CE LYS A 27 -4.419 -1.142 -5.547 1.00 0.00 C ATOM 393 NZ LYS A 27 -3.641 -1.572 -6.730 1.00 0.00 N ATOM 0 H LYS A 27 -4.645 -1.591 -1.363 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.856 0.641 -0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.425 0.530 -2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.260 -1.010 -2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.417 0.166 -3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.549 1.684 -3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.636 0.982 -5.847 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.028 0.494 -5.350 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.195 -1.792 -4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.485 -1.240 -5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.876 -2.559 -6.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.875 -0.962 -7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.625 -1.498 -6.523 1.00 0.00 H new ATOM 403 N ALA A 28 -5.940 1.053 -0.576 1.00 0.00 N ATOM 404 CA ALA A 28 -7.010 2.008 -0.344 1.00 0.00 C ATOM 405 C ALA A 28 -6.899 2.557 1.080 1.00 0.00 C ATOM 406 O ALA A 28 -7.068 3.754 1.302 1.00 0.00 O ATOM 407 CB ALA A 28 -8.359 1.336 -0.606 1.00 0.00 C ATOM 0 H ALA A 28 -6.144 0.101 -0.272 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.927 2.851 -1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.162 2.052 -0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.399 0.990 -1.639 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.479 0.486 0.066 1.00 0.00 H new ATOM 413 N LYS A 29 -6.617 1.654 2.007 1.00 0.00 N ATOM 414 CA LYS A 29 -6.481 2.031 3.403 1.00 0.00 C ATOM 415 C LYS A 29 -5.596 3.275 3.506 1.00 0.00 C ATOM 416 O LYS A 29 -5.710 4.045 4.460 1.00 0.00 O ATOM 417 CB LYS A 29 -5.978 0.848 4.233 1.00 0.00 C ATOM 418 CG LYS A 29 -6.987 0.473 5.320 1.00 0.00 C ATOM 419 CD LYS A 29 -6.437 -0.637 6.219 1.00 0.00 C ATOM 420 CE LYS A 29 -7.573 -1.465 6.824 1.00 0.00 C ATOM 421 NZ LYS A 29 -8.110 -0.802 8.033 1.00 0.00 N ATOM 0 H LYS A 29 -6.479 0.661 1.818 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.452 2.293 3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.803 -0.009 3.583 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.022 1.101 4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.222 1.351 5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.918 0.145 4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.778 -1.285 5.641 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.836 -0.200 7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.368 -1.594 6.089 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.210 -2.461 7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.880 -1.377 8.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.353 -0.701 8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.475 0.138 7.780 1.00 0.00 H new ATOM 431 N ILE A 30 -4.735 3.434 2.513 1.00 0.00 N ATOM 432 CA ILE A 30 -3.830 4.570 2.480 1.00 0.00 C ATOM 433 C ILE A 30 -4.567 5.786 1.911 1.00 0.00 C ATOM 434 O ILE A 30 -4.409 6.900 2.408 1.00 0.00 O ATOM 435 CB ILE A 30 -2.551 4.216 1.721 1.00 0.00 C ATOM 436 CG1 ILE A 30 -2.873 3.521 0.396 1.00 0.00 C ATOM 437 CG2 ILE A 30 -1.609 3.382 2.591 1.00 0.00 C ATOM 438 CD1 ILE A 30 -1.722 3.675 -0.599 1.00 0.00 C ATOM 0 H ILE A 30 -4.645 2.794 1.724 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.511 4.832 3.489 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.030 5.143 1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.065 2.463 0.574 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.784 3.944 -0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.707 3.144 2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.340 3.948 3.483 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.107 2.458 2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.977 3.172 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.548 4.733 -0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.819 3.230 -0.182 1.00 0.00 H new ATOM 449 N GLN A 31 -5.354 5.529 0.877 1.00 0.00 N ATOM 450 CA GLN A 31 -6.115 6.587 0.235 1.00 0.00 C ATOM 451 C GLN A 31 -7.034 7.271 1.250 1.00 0.00 C ATOM 452 O GLN A 31 -7.398 8.434 1.078 1.00 0.00 O ATOM 453 CB GLN A 31 -6.915 6.047 -0.951 1.00 0.00 C ATOM 454 CG GLN A 31 -6.018 5.241 -1.895 1.00 0.00 C ATOM 455 CD GLN A 31 -4.804 6.063 -2.332 1.00 0.00 C ATOM 456 OE1 GLN A 31 -4.725 6.557 -3.444 1.00 0.00 O ATOM 457 NE2 GLN A 31 -3.866 6.179 -1.398 1.00 0.00 N ATOM 0 H GLN A 31 -5.481 4.603 0.468 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.414 7.328 -0.150 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.728 5.417 -0.590 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.370 6.875 -1.494 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.685 4.330 -1.397 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.589 4.934 -2.772 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.996 5.740 -0.487 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.016 6.708 -1.592 1.00 0.00 H new ATOM 464 N ASP A 32 -7.382 6.521 2.284 1.00 0.00 N ATOM 465 CA ASP A 32 -8.251 7.039 3.327 1.00 0.00 C ATOM 466 C ASP A 32 -7.398 7.655 4.438 1.00 0.00 C ATOM 467 O ASP A 32 -7.833 8.582 5.118 1.00 0.00 O ATOM 468 CB ASP A 32 -9.097 5.924 3.944 1.00 0.00 C ATOM 469 CG ASP A 32 -10.610 6.143 3.870 1.00 0.00 C ATOM 470 OD1 ASP A 32 -11.020 6.998 3.055 1.00 0.00 O ATOM 471 OD2 ASP A 32 -11.321 5.452 4.630 1.00 0.00 O ATOM 0 H ASP A 32 -7.078 5.557 2.422 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.908 7.784 2.878 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.856 4.986 3.443 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.812 5.809 4.990 1.00 0.00 H new ATOM 475 N LYS A 33 -6.197 7.115 4.586 1.00 0.00 N ATOM 476 CA LYS A 33 -5.278 7.599 5.603 1.00 0.00 C ATOM 477 C LYS A 33 -4.958 9.071 5.333 1.00 0.00 C ATOM 478 O LYS A 33 -4.688 9.830 6.263 1.00 0.00 O ATOM 479 CB LYS A 33 -4.041 6.703 5.676 1.00 0.00 C ATOM 480 CG LYS A 33 -4.312 5.461 6.528 1.00 0.00 C ATOM 481 CD LYS A 33 -3.951 5.712 7.994 1.00 0.00 C ATOM 482 CE LYS A 33 -4.683 4.732 8.912 1.00 0.00 C ATOM 483 NZ LYS A 33 -5.945 5.327 9.405 1.00 0.00 N ATOM 0 H LYS A 33 -5.839 6.347 4.019 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.738 7.548 6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.746 6.401 4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.207 7.263 6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.364 5.185 6.451 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.733 4.620 6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.874 5.609 8.130 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.211 6.735 8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.896 3.809 8.373 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.045 4.468 9.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.429 4.648 10.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.735 6.195 9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.559 5.556 8.598 1.00 0.00 H new ATOM 493 N GLU A 34 -4.999 9.429 4.059 1.00 0.00 N ATOM 494 CA GLU A 34 -4.717 10.797 3.657 1.00 0.00 C ATOM 495 C GLU A 34 -5.928 11.401 2.944 1.00 0.00 C ATOM 496 O GLU A 34 -6.586 12.293 3.479 1.00 0.00 O ATOM 497 CB GLU A 34 -3.471 10.861 2.770 1.00 0.00 C ATOM 498 CG GLU A 34 -3.220 9.520 2.079 1.00 0.00 C ATOM 499 CD GLU A 34 -2.418 8.579 2.981 1.00 0.00 C ATOM 500 OE1 GLU A 34 -2.677 8.608 4.204 1.00 0.00 O ATOM 501 OE2 GLU A 34 -1.565 7.852 2.428 1.00 0.00 O ATOM 0 H GLU A 34 -5.223 8.796 3.291 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.517 11.385 4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.594 11.643 2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.604 11.131 3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.172 9.057 1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.680 9.683 1.146 1.00 0.00 H new ATOM 506 N GLY A 35 -6.187 10.893 1.749 1.00 0.00 N ATOM 507 CA GLY A 35 -7.307 11.371 0.958 1.00 0.00 C ATOM 508 C GLY A 35 -6.914 11.526 -0.513 1.00 0.00 C ATOM 509 O GLY A 35 -7.319 12.484 -1.170 1.00 0.00 O ATOM 0 H GLY A 35 -5.639 10.154 1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.141 10.674 1.044 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.650 12.329 1.349 1.00 0.00 H new ATOM 513 N ILE A 36 -6.131 10.568 -0.987 1.00 0.00 N ATOM 514 CA ILE A 36 -5.679 10.585 -2.368 1.00 0.00 C ATOM 515 C ILE A 36 -6.127 9.298 -3.063 1.00 0.00 C ATOM 516 O ILE A 36 -6.133 8.229 -2.453 1.00 0.00 O ATOM 517 CB ILE A 36 -4.169 10.826 -2.434 1.00 0.00 C ATOM 518 CG1 ILE A 36 -3.602 10.378 -3.782 1.00 0.00 C ATOM 519 CG2 ILE A 36 -3.455 10.156 -1.259 1.00 0.00 C ATOM 520 CD1 ILE A 36 -2.115 10.039 -3.665 1.00 0.00 C ATOM 0 H ILE A 36 -5.798 9.775 -0.439 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.135 11.415 -2.908 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.989 11.898 -2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.150 9.507 -4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.742 11.168 -4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.383 10.343 -1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.833 10.565 -0.322 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.639 9.082 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.736 9.723 -4.637 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.566 10.919 -3.330 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.981 9.232 -2.944 1.00 0.00 H new ATOM 531 N PRO A 37 -6.503 9.447 -4.361 1.00 0.00 N ATOM 532 CA PRO A 37 -6.952 8.309 -5.146 1.00 0.00 C ATOM 533 C PRO A 37 -5.772 7.423 -5.552 1.00 0.00 C ATOM 534 O PRO A 37 -4.699 7.925 -5.885 1.00 0.00 O ATOM 535 CB PRO A 37 -7.678 8.914 -6.336 1.00 0.00 C ATOM 536 CG PRO A 37 -7.210 10.357 -6.419 1.00 0.00 C ATOM 537 CD PRO A 37 -6.510 10.697 -5.115 1.00 0.00 C ATOM 0 HA PRO A 37 -7.614 7.647 -4.587 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.443 8.374 -7.253 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.759 8.861 -6.203 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.532 10.490 -7.262 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.057 11.024 -6.583 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.497 11.058 -5.292 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.039 11.482 -4.575 1.00 0.00 H new ATOM 542 N PRO A 38 -6.016 6.086 -5.509 1.00 0.00 N ATOM 543 CA PRO A 38 -4.987 5.125 -5.868 1.00 0.00 C ATOM 544 C PRO A 38 -4.788 5.076 -7.385 1.00 0.00 C ATOM 545 O PRO A 38 -3.751 4.621 -7.864 1.00 0.00 O ATOM 546 CB PRO A 38 -5.462 3.804 -5.288 1.00 0.00 C ATOM 547 CG PRO A 38 -6.950 3.973 -5.031 1.00 0.00 C ATOM 548 CD PRO A 38 -7.274 5.455 -5.119 1.00 0.00 C ATOM 0 HA PRO A 38 -4.007 5.389 -5.470 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.276 2.984 -5.981 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.931 3.569 -4.366 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.530 3.412 -5.764 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.214 3.582 -4.048 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.057 5.646 -5.852 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.631 5.840 -4.164 1.00 0.00 H new ATOM 553 N ASP A 39 -5.799 5.551 -8.097 1.00 0.00 N ATOM 554 CA ASP A 39 -5.749 5.567 -9.550 1.00 0.00 C ATOM 555 C ASP A 39 -4.376 6.067 -10.002 1.00 0.00 C ATOM 556 O ASP A 39 -3.919 5.733 -11.095 1.00 0.00 O ATOM 557 CB ASP A 39 -6.810 6.506 -10.127 1.00 0.00 C ATOM 558 CG ASP A 39 -8.097 5.821 -10.589 1.00 0.00 C ATOM 559 OD1 ASP A 39 -8.733 5.170 -9.732 1.00 0.00 O ATOM 560 OD2 ASP A 39 -8.417 5.965 -11.789 1.00 0.00 O ATOM 0 H ASP A 39 -6.658 5.928 -7.696 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.934 4.554 -9.906 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.063 7.251 -9.373 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.378 7.042 -10.972 1.00 0.00 H new ATOM 564 N GLN A 40 -3.758 6.861 -9.141 1.00 0.00 N ATOM 565 CA GLN A 40 -2.446 7.412 -9.439 1.00 0.00 C ATOM 566 C GLN A 40 -1.354 6.574 -8.770 1.00 0.00 C ATOM 567 O GLN A 40 -0.537 5.956 -9.450 1.00 0.00 O ATOM 568 CB GLN A 40 -2.355 8.877 -9.007 1.00 0.00 C ATOM 569 CG GLN A 40 -3.234 9.764 -9.891 1.00 0.00 C ATOM 570 CD GLN A 40 -4.681 9.270 -9.898 1.00 0.00 C ATOM 571 OE1 GLN A 40 -5.258 8.972 -10.930 1.00 0.00 O ATOM 572 NE2 GLN A 40 -5.234 9.200 -8.690 1.00 0.00 N ATOM 0 H GLN A 40 -4.141 7.136 -8.237 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.295 7.376 -10.518 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.665 8.973 -7.966 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.320 9.213 -9.063 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.199 10.792 -9.530 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.843 9.770 -10.909 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.694 9.465 -7.866 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.198 8.881 -8.588 1.00 0.00 H new ATOM 579 N GLN A 41 -1.376 6.581 -7.445 1.00 0.00 N ATOM 580 CA GLN A 41 -0.398 5.830 -6.676 1.00 0.00 C ATOM 581 C GLN A 41 -0.580 4.329 -6.909 1.00 0.00 C ATOM 582 O GLN A 41 -1.706 3.844 -7.004 1.00 0.00 O ATOM 583 CB GLN A 41 -0.493 6.170 -5.187 1.00 0.00 C ATOM 584 CG GLN A 41 -0.372 7.678 -4.961 1.00 0.00 C ATOM 585 CD GLN A 41 1.055 8.160 -5.223 1.00 0.00 C ATOM 586 OE1 GLN A 41 1.394 8.623 -6.301 1.00 0.00 O ATOM 587 NE2 GLN A 41 1.872 8.027 -4.182 1.00 0.00 N ATOM 0 H GLN A 41 -2.056 7.095 -6.884 1.00 0.00 H new ATOM 0 HA GLN A 41 0.598 6.113 -7.016 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.443 5.814 -4.789 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.296 5.652 -4.641 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.064 8.204 -5.619 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.659 7.920 -3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.525 7.632 -3.308 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.846 8.320 -4.257 1.00 0.00 H new ATOM 594 N ARG A 42 0.546 3.635 -6.994 1.00 0.00 N ATOM 595 CA ARG A 42 0.524 2.199 -7.213 1.00 0.00 C ATOM 596 C ARG A 42 1.475 1.499 -6.240 1.00 0.00 C ATOM 597 O ARG A 42 2.591 1.963 -6.015 1.00 0.00 O ATOM 598 CB ARG A 42 0.930 1.855 -8.648 1.00 0.00 C ATOM 599 CG ARG A 42 2.318 2.410 -8.973 1.00 0.00 C ATOM 600 CD ARG A 42 3.171 1.367 -9.699 1.00 0.00 C ATOM 601 NE ARG A 42 4.532 1.335 -9.119 1.00 0.00 N ATOM 602 CZ ARG A 42 5.620 0.919 -9.780 1.00 0.00 C ATOM 603 NH1 ARG A 42 5.514 0.498 -11.048 1.00 0.00 N ATOM 604 NH2 ARG A 42 6.816 0.924 -9.174 1.00 0.00 N ATOM 0 H ARG A 42 1.479 4.041 -6.915 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.495 1.853 -7.042 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.927 0.773 -8.781 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.198 2.264 -9.345 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.221 3.301 -9.593 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.816 2.715 -8.053 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.708 0.384 -9.615 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.225 1.605 -10.761 1.00 0.00 H new ATOM 0 HE ARG A 42 4.649 1.649 -8.156 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.605 0.494 -11.510 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.343 0.181 -11.551 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.898 1.245 -8.209 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.644 0.607 -9.678 1.00 0.00 H new ATOM 615 N LEU A 43 0.998 0.392 -5.689 1.00 0.00 N ATOM 616 CA LEU A 43 1.791 -0.376 -4.745 1.00 0.00 C ATOM 617 C LEU A 43 2.554 -1.468 -5.498 1.00 0.00 C ATOM 618 O LEU A 43 2.086 -1.965 -6.520 1.00 0.00 O ATOM 619 CB LEU A 43 0.910 -0.910 -3.614 1.00 0.00 C ATOM 620 CG LEU A 43 0.357 0.137 -2.645 1.00 0.00 C ATOM 621 CD1 LEU A 43 1.419 0.559 -1.629 1.00 0.00 C ATOM 622 CD2 LEU A 43 -0.222 1.334 -3.401 1.00 0.00 C ATOM 0 H LEU A 43 0.072 0.009 -5.879 1.00 0.00 H new ATOM 0 HA LEU A 43 2.534 0.261 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.071 -1.447 -4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.487 -1.637 -3.042 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.462 -0.315 -2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.000 1.304 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.741 -0.311 -1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.274 0.985 -2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.608 2.063 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.559 1.796 -4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.031 0.998 -4.050 1.00 0.00 H new ATOM 633 N ILE A 44 3.717 -1.809 -4.962 1.00 0.00 N ATOM 634 CA ILE A 44 4.549 -2.833 -5.569 1.00 0.00 C ATOM 635 C ILE A 44 5.138 -3.723 -4.473 1.00 0.00 C ATOM 636 O ILE A 44 5.335 -3.276 -3.344 1.00 0.00 O ATOM 637 CB ILE A 44 5.605 -2.197 -6.476 1.00 0.00 C ATOM 638 CG1 ILE A 44 4.962 -1.220 -7.464 1.00 0.00 C ATOM 639 CG2 ILE A 44 6.434 -3.268 -7.187 1.00 0.00 C ATOM 640 CD1 ILE A 44 4.510 -1.942 -8.734 1.00 0.00 C ATOM 0 H ILE A 44 4.102 -1.394 -4.114 1.00 0.00 H new ATOM 0 HA ILE A 44 3.950 -3.475 -6.215 1.00 0.00 H new ATOM 0 HB ILE A 44 6.289 -1.622 -5.853 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.107 -0.733 -6.995 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.674 -0.436 -7.721 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.177 -2.789 -7.825 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.938 -3.889 -6.447 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.779 -3.890 -7.797 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.057 -1.225 -9.419 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.371 -2.408 -9.214 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.780 -2.709 -8.476 1.00 0.00 H new ATOM 651 N PHE A 45 5.400 -4.968 -4.844 1.00 0.00 N ATOM 652 CA PHE A 45 5.962 -5.925 -3.905 1.00 0.00 C ATOM 653 C PHE A 45 6.742 -7.019 -4.638 1.00 0.00 C ATOM 654 O PHE A 45 6.187 -7.724 -5.480 1.00 0.00 O ATOM 655 CB PHE A 45 4.788 -6.565 -3.162 1.00 0.00 C ATOM 656 CG PHE A 45 5.198 -7.384 -1.937 1.00 0.00 C ATOM 657 CD1 PHE A 45 5.788 -6.771 -0.876 1.00 0.00 C ATOM 658 CD2 PHE A 45 4.972 -8.725 -1.909 1.00 0.00 C ATOM 659 CE1 PHE A 45 6.170 -7.532 0.261 1.00 0.00 C ATOM 660 CE2 PHE A 45 5.354 -9.486 -0.772 1.00 0.00 C ATOM 661 CZ PHE A 45 5.945 -8.873 0.289 1.00 0.00 C ATOM 0 H PHE A 45 5.234 -5.336 -5.781 1.00 0.00 H new ATOM 0 HA PHE A 45 6.648 -5.420 -3.225 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.099 -5.781 -2.848 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.243 -7.210 -3.852 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.966 -5.706 -0.898 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.502 -9.211 -2.751 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.639 -7.046 1.103 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.175 -10.551 -0.750 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.236 -9.451 1.154 1.00 0.00 H new ATOM 670 N ALA A 46 8.016 -7.125 -4.292 1.00 0.00 N ATOM 671 CA ALA A 46 8.878 -8.121 -4.906 1.00 0.00 C ATOM 672 C ALA A 46 9.045 -7.796 -6.392 1.00 0.00 C ATOM 673 O ALA A 46 9.374 -8.674 -7.190 1.00 0.00 O ATOM 674 CB ALA A 46 8.292 -9.516 -4.677 1.00 0.00 C ATOM 0 H ALA A 46 8.473 -6.538 -3.594 1.00 0.00 H new ATOM 0 HA ALA A 46 9.868 -8.105 -4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.939 -10.263 -5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.220 -9.709 -3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.299 -9.571 -5.123 1.00 0.00 H new ATOM 680 N GLY A 47 8.813 -6.533 -6.719 1.00 0.00 N ATOM 681 CA GLY A 47 8.934 -6.083 -8.095 1.00 0.00 C ATOM 682 C GLY A 47 7.692 -6.456 -8.907 1.00 0.00 C ATOM 683 O GLY A 47 7.569 -6.079 -10.071 1.00 0.00 O ATOM 0 H GLY A 47 8.542 -5.808 -6.055 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.075 -5.002 -8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.818 -6.529 -8.551 1.00 0.00 H new ATOM 687 N LYS A 48 6.802 -7.195 -8.260 1.00 0.00 N ATOM 688 CA LYS A 48 5.574 -7.625 -8.906 1.00 0.00 C ATOM 689 C LYS A 48 4.558 -6.481 -8.873 1.00 0.00 C ATOM 690 O LYS A 48 4.574 -5.658 -7.958 1.00 0.00 O ATOM 691 CB LYS A 48 5.061 -8.921 -8.275 1.00 0.00 C ATOM 692 CG LYS A 48 4.066 -8.627 -7.150 1.00 0.00 C ATOM 693 CD LYS A 48 4.204 -9.646 -6.017 1.00 0.00 C ATOM 694 CE LYS A 48 3.209 -10.796 -6.191 1.00 0.00 C ATOM 695 NZ LYS A 48 3.683 -11.738 -7.231 1.00 0.00 N ATOM 0 H LYS A 48 6.907 -7.507 -7.295 1.00 0.00 H new ATOM 0 HA LYS A 48 5.758 -7.859 -9.955 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.582 -9.536 -9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.900 -9.495 -7.882 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.235 -7.622 -6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.050 -8.650 -7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.220 -10.039 -5.998 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.034 -9.155 -5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.083 -11.322 -5.245 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.232 -10.401 -6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.071 -12.579 -7.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.651 -11.273 -8.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.660 -12.024 -7.020 1.00 0.00 H new ATOM 705 N GLN A 49 3.699 -6.465 -9.881 1.00 0.00 N ATOM 706 CA GLN A 49 2.678 -5.436 -9.979 1.00 0.00 C ATOM 707 C GLN A 49 1.509 -5.758 -9.047 1.00 0.00 C ATOM 708 O GLN A 49 0.633 -6.549 -9.394 1.00 0.00 O ATOM 709 CB GLN A 49 2.200 -5.274 -11.423 1.00 0.00 C ATOM 710 CG GLN A 49 0.859 -4.538 -11.477 1.00 0.00 C ATOM 711 CD GLN A 49 0.403 -4.334 -12.924 1.00 0.00 C ATOM 712 OE1 GLN A 49 1.124 -4.601 -13.871 1.00 0.00 O ATOM 713 NE2 GLN A 49 -0.829 -3.847 -13.038 1.00 0.00 N ATOM 0 H GLN A 49 3.689 -7.149 -10.638 1.00 0.00 H new ATOM 0 HA GLN A 49 3.115 -4.487 -9.667 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.945 -4.723 -11.997 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.100 -6.254 -11.889 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.106 -5.107 -10.931 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.950 -3.572 -10.981 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.377 -3.646 -12.202 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.226 -3.674 -13.962 1.00 0.00 H new ATOM 720 N LEU A 50 1.531 -5.129 -7.881 1.00 0.00 N ATOM 721 CA LEU A 50 0.484 -5.339 -6.896 1.00 0.00 C ATOM 722 C LEU A 50 -0.835 -4.780 -7.434 1.00 0.00 C ATOM 723 O LEU A 50 -0.989 -3.567 -7.571 1.00 0.00 O ATOM 724 CB LEU A 50 0.894 -4.752 -5.544 1.00 0.00 C ATOM 725 CG LEU A 50 1.889 -5.580 -4.728 1.00 0.00 C ATOM 726 CD1 LEU A 50 1.624 -5.432 -3.228 1.00 0.00 C ATOM 727 CD2 LEU A 50 1.876 -7.045 -5.171 1.00 0.00 C ATOM 0 H LEU A 50 2.258 -4.473 -7.596 1.00 0.00 H new ATOM 0 HA LEU A 50 0.333 -6.404 -6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.326 -3.766 -5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.005 -4.607 -4.945 1.00 0.00 H new ATOM 0 HG LEU A 50 2.891 -5.195 -4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.345 -6.030 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.724 -4.385 -2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.615 -5.775 -3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.592 -7.612 -4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.878 -7.459 -5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.149 -7.109 -6.224 1.00 0.00 H new ATOM 738 N GLU A 51 -1.752 -5.691 -7.724 1.00 0.00 N ATOM 739 CA GLU A 51 -3.052 -5.304 -8.244 1.00 0.00 C ATOM 740 C GLU A 51 -4.167 -5.883 -7.370 1.00 0.00 C ATOM 741 O GLU A 51 -3.987 -6.921 -6.736 1.00 0.00 O ATOM 742 CB GLU A 51 -3.213 -5.743 -9.701 1.00 0.00 C ATOM 743 CG GLU A 51 -4.459 -5.114 -10.329 1.00 0.00 C ATOM 744 CD GLU A 51 -4.195 -3.661 -10.732 1.00 0.00 C ATOM 745 OE1 GLU A 51 -3.710 -2.910 -9.859 1.00 0.00 O ATOM 746 OE2 GLU A 51 -4.485 -3.336 -11.903 1.00 0.00 O ATOM 0 H GLU A 51 -1.620 -6.696 -7.609 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.123 -4.217 -8.217 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.330 -5.455 -10.271 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.285 -6.829 -9.751 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.759 -5.689 -11.205 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.287 -5.154 -9.622 1.00 0.00 H new ATOM 751 N ASP A 52 -5.294 -5.186 -7.365 1.00 0.00 N ATOM 752 CA ASP A 52 -6.438 -5.619 -6.580 1.00 0.00 C ATOM 753 C ASP A 52 -6.848 -7.026 -7.016 1.00 0.00 C ATOM 754 O ASP A 52 -7.537 -7.732 -6.281 1.00 0.00 O ATOM 755 CB ASP A 52 -7.635 -4.689 -6.792 1.00 0.00 C ATOM 756 CG ASP A 52 -8.103 -4.561 -8.242 1.00 0.00 C ATOM 757 OD1 ASP A 52 -8.886 -5.439 -8.666 1.00 0.00 O ATOM 758 OD2 ASP A 52 -7.669 -3.587 -8.895 1.00 0.00 O ATOM 0 H ASP A 52 -5.439 -4.325 -7.892 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.151 -5.603 -5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.468 -5.049 -6.187 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.376 -3.698 -6.420 1.00 0.00 H new ATOM 762 N GLY A 53 -6.407 -7.393 -8.211 1.00 0.00 N ATOM 763 CA GLY A 53 -6.720 -8.704 -8.753 1.00 0.00 C ATOM 764 C GLY A 53 -6.743 -9.764 -7.650 1.00 0.00 C ATOM 765 O GLY A 53 -7.686 -10.547 -7.557 1.00 0.00 O ATOM 0 H GLY A 53 -5.836 -6.805 -8.818 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.688 -8.673 -9.252 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.981 -8.975 -9.507 1.00 0.00 H new ATOM 769 N ARG A 54 -5.693 -9.754 -6.842 1.00 0.00 N ATOM 770 CA ARG A 54 -5.581 -10.704 -5.749 1.00 0.00 C ATOM 771 C ARG A 54 -5.397 -9.967 -4.422 1.00 0.00 C ATOM 772 O ARG A 54 -5.472 -8.740 -4.374 1.00 0.00 O ATOM 773 CB ARG A 54 -4.401 -11.654 -5.964 1.00 0.00 C ATOM 774 CG ARG A 54 -4.762 -12.761 -6.958 1.00 0.00 C ATOM 775 CD ARG A 54 -5.226 -14.023 -6.229 1.00 0.00 C ATOM 776 NE ARG A 54 -5.431 -15.121 -7.199 1.00 0.00 N ATOM 777 CZ ARG A 54 -6.134 -16.232 -6.937 1.00 0.00 C ATOM 778 NH1 ARG A 54 -6.702 -16.398 -5.736 1.00 0.00 N ATOM 779 NH2 ARG A 54 -6.268 -17.177 -7.879 1.00 0.00 N ATOM 0 H ARG A 54 -4.912 -9.103 -6.923 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.502 -11.286 -5.721 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.542 -11.094 -6.334 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.108 -12.097 -5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.550 -12.412 -7.626 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.897 -12.993 -7.579 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.485 -14.317 -5.486 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.153 -13.823 -5.692 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.012 -15.027 -8.124 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.600 -15.679 -5.020 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.237 -17.244 -5.537 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.835 -17.050 -8.794 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.803 -18.023 -7.681 1.00 0.00 H new ATOM 790 N THR A 55 -5.158 -10.745 -3.376 1.00 0.00 N ATOM 791 CA THR A 55 -4.962 -10.181 -2.052 1.00 0.00 C ATOM 792 C THR A 55 -3.479 -10.198 -1.678 1.00 0.00 C ATOM 793 O THR A 55 -2.622 -10.402 -2.537 1.00 0.00 O ATOM 794 CB THR A 55 -5.844 -10.958 -1.072 1.00 0.00 C ATOM 795 OG1 THR A 55 -5.618 -12.324 -1.410 1.00 0.00 O ATOM 796 CG2 THR A 55 -7.337 -10.750 -1.337 1.00 0.00 C ATOM 0 H THR A 55 -5.096 -11.762 -3.419 1.00 0.00 H new ATOM 0 HA THR A 55 -5.260 -9.133 -2.021 1.00 0.00 H new ATOM 0 HB THR A 55 -5.610 -10.652 -0.052 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.258 -12.798 -0.632 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.918 -11.323 -0.614 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.580 -9.692 -1.241 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.578 -11.087 -2.345 1.00 0.00 H new ATOM 804 N LEU A 56 -3.222 -9.983 -0.397 1.00 0.00 N ATOM 805 CA LEU A 56 -1.856 -9.971 0.101 1.00 0.00 C ATOM 806 C LEU A 56 -1.401 -11.407 0.361 1.00 0.00 C ATOM 807 O LEU A 56 -0.254 -11.758 0.089 1.00 0.00 O ATOM 808 CB LEU A 56 -1.740 -9.057 1.323 1.00 0.00 C ATOM 809 CG LEU A 56 -2.548 -7.760 1.269 1.00 0.00 C ATOM 810 CD1 LEU A 56 -2.252 -6.879 2.485 1.00 0.00 C ATOM 811 CD2 LEU A 56 -2.309 -7.017 -0.047 1.00 0.00 C ATOM 0 H LEU A 56 -3.936 -9.816 0.312 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.181 -9.553 -0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.051 -9.619 2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.690 -8.802 1.463 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.607 -8.017 1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.839 -5.963 2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.514 -7.417 3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.191 -6.629 2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.896 -6.099 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.251 -6.772 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.610 -7.650 -0.882 1.00 0.00 H new ATOM 822 N SER A 57 -2.323 -12.201 0.885 1.00 0.00 N ATOM 823 CA SER A 57 -2.030 -13.593 1.186 1.00 0.00 C ATOM 824 C SER A 57 -1.581 -14.318 -0.083 1.00 0.00 C ATOM 825 O SER A 57 -0.512 -14.925 -0.111 1.00 0.00 O ATOM 826 CB SER A 57 -3.246 -14.292 1.796 1.00 0.00 C ATOM 827 OG SER A 57 -4.428 -14.074 1.029 1.00 0.00 O ATOM 0 H SER A 57 -3.274 -11.907 1.109 1.00 0.00 H new ATOM 0 HA SER A 57 -1.223 -13.623 1.918 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.052 -15.362 1.866 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.401 -13.929 2.812 1.00 0.00 H new ATOM 0 HG SER A 57 -4.883 -13.268 1.351 1.00 0.00 H new ATOM 832 N ASP A 58 -2.421 -14.233 -1.104 1.00 0.00 N ATOM 833 CA ASP A 58 -2.125 -14.874 -2.374 1.00 0.00 C ATOM 834 C ASP A 58 -0.748 -14.417 -2.862 1.00 0.00 C ATOM 835 O ASP A 58 -0.097 -15.117 -3.636 1.00 0.00 O ATOM 836 CB ASP A 58 -3.155 -14.492 -3.438 1.00 0.00 C ATOM 837 CG ASP A 58 -4.542 -15.109 -3.248 1.00 0.00 C ATOM 838 OD1 ASP A 58 -5.319 -14.527 -2.460 1.00 0.00 O ATOM 839 OD2 ASP A 58 -4.794 -16.149 -3.893 1.00 0.00 O ATOM 0 H ASP A 58 -3.308 -13.729 -1.077 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.149 -15.953 -2.221 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.256 -13.407 -3.451 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.773 -14.789 -4.415 1.00 0.00 H new ATOM 843 N TYR A 59 -0.347 -13.247 -2.389 1.00 0.00 N ATOM 844 CA TYR A 59 0.939 -12.688 -2.767 1.00 0.00 C ATOM 845 C TYR A 59 1.995 -12.967 -1.696 1.00 0.00 C ATOM 846 O TYR A 59 3.125 -12.493 -1.795 1.00 0.00 O ATOM 847 CB TYR A 59 0.727 -11.176 -2.875 1.00 0.00 C ATOM 848 CG TYR A 59 -0.020 -10.741 -4.137 1.00 0.00 C ATOM 849 CD1 TYR A 59 -0.585 -11.689 -4.965 1.00 0.00 C ATOM 850 CD2 TYR A 59 -0.129 -9.401 -4.447 1.00 0.00 C ATOM 851 CE1 TYR A 59 -1.289 -11.280 -6.154 1.00 0.00 C ATOM 852 CE2 TYR A 59 -0.832 -8.991 -5.635 1.00 0.00 C ATOM 853 CZ TYR A 59 -1.377 -9.951 -6.430 1.00 0.00 C ATOM 854 OH TYR A 59 -2.041 -9.564 -7.551 1.00 0.00 O ATOM 0 H TYR A 59 -0.890 -12.670 -1.747 1.00 0.00 H new ATOM 0 HA TYR A 59 1.289 -13.129 -3.700 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.173 -10.834 -2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.698 -10.681 -2.851 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.500 -12.738 -4.722 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.313 -8.659 -3.798 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.736 -12.012 -6.811 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.924 -7.945 -5.889 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.234 -8.605 -7.502 1.00 0.00 H new ATOM 863 N ASN A 60 1.589 -13.737 -0.697 1.00 0.00 N ATOM 864 CA ASN A 60 2.486 -14.086 0.392 1.00 0.00 C ATOM 865 C ASN A 60 2.921 -12.811 1.117 1.00 0.00 C ATOM 866 O ASN A 60 3.958 -12.792 1.778 1.00 0.00 O ATOM 867 CB ASN A 60 3.742 -14.784 -0.133 1.00 0.00 C ATOM 868 CG ASN A 60 3.683 -16.290 0.131 1.00 0.00 C ATOM 869 OD1 ASN A 60 4.267 -16.805 1.071 1.00 0.00 O ATOM 870 ND2 ASN A 60 2.947 -16.965 -0.746 1.00 0.00 N ATOM 0 H ASN A 60 0.651 -14.129 -0.619 1.00 0.00 H new ATOM 0 HA ASN A 60 1.954 -14.758 1.066 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.843 -14.602 -1.203 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.625 -14.361 0.347 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.845 -17.976 -0.655 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.485 -16.472 -1.510 1.00 0.00 H new ATOM 876 N ILE A 61 2.107 -11.777 0.968 1.00 0.00 N ATOM 877 CA ILE A 61 2.394 -10.500 1.600 1.00 0.00 C ATOM 878 C ILE A 61 1.999 -10.567 3.077 1.00 0.00 C ATOM 879 O ILE A 61 0.874 -10.230 3.438 1.00 0.00 O ATOM 880 CB ILE A 61 1.721 -9.359 0.834 1.00 0.00 C ATOM 881 CG1 ILE A 61 2.446 -9.081 -0.484 1.00 0.00 C ATOM 882 CG2 ILE A 61 1.612 -8.105 1.704 1.00 0.00 C ATOM 883 CD1 ILE A 61 1.510 -8.412 -1.493 1.00 0.00 C ATOM 0 H ILE A 61 1.248 -11.797 0.418 1.00 0.00 H new ATOM 0 HA ILE A 61 3.463 -10.289 1.565 1.00 0.00 H new ATOM 0 HB ILE A 61 0.706 -9.667 0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.308 -8.439 -0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.826 -10.015 -0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.130 -7.309 1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.019 -8.328 2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.609 -7.783 2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.050 -8.225 -2.421 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.662 -9.067 -1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.151 -7.467 -1.085 1.00 0.00 H new ATOM 894 N GLN A 62 2.949 -11.005 3.890 1.00 0.00 N ATOM 895 CA GLN A 62 2.715 -11.121 5.319 1.00 0.00 C ATOM 896 C GLN A 62 2.841 -9.752 5.991 1.00 0.00 C ATOM 897 O GLN A 62 2.994 -8.736 5.313 1.00 0.00 O ATOM 898 CB GLN A 62 3.674 -12.132 5.953 1.00 0.00 C ATOM 899 CG GLN A 62 3.142 -13.558 5.804 1.00 0.00 C ATOM 900 CD GLN A 62 3.524 -14.415 7.013 1.00 0.00 C ATOM 901 OE1 GLN A 62 4.625 -14.346 7.532 1.00 0.00 O ATOM 902 NE2 GLN A 62 2.553 -15.223 7.431 1.00 0.00 N ATOM 0 H GLN A 62 3.882 -11.284 3.586 1.00 0.00 H new ATOM 0 HA GLN A 62 1.700 -11.488 5.471 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.654 -12.054 5.482 1.00 0.00 H new ATOM 0 HB3 GLN A 62 3.809 -11.898 7.009 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.057 -13.536 5.697 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.543 -14.006 4.895 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.654 -15.231 6.950 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.708 -15.835 8.232 1.00 0.00 H new ATOM 909 N LYS A 63 2.770 -9.767 7.314 1.00 0.00 N ATOM 910 CA LYS A 63 2.874 -8.540 8.084 1.00 0.00 C ATOM 911 C LYS A 63 4.329 -8.067 8.089 1.00 0.00 C ATOM 912 O LYS A 63 5.240 -8.846 7.808 1.00 0.00 O ATOM 913 CB LYS A 63 2.286 -8.733 9.482 1.00 0.00 C ATOM 914 CG LYS A 63 3.109 -9.737 10.290 1.00 0.00 C ATOM 915 CD LYS A 63 2.730 -9.692 11.772 1.00 0.00 C ATOM 916 CE LYS A 63 2.432 -11.094 12.305 1.00 0.00 C ATOM 917 NZ LYS A 63 0.972 -11.335 12.346 1.00 0.00 N ATOM 0 H LYS A 63 2.642 -10.611 7.872 1.00 0.00 H new ATOM 0 HA LYS A 63 2.283 -7.750 7.621 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.259 -7.776 10.004 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.257 -9.082 9.402 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.947 -10.742 9.900 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.171 -9.518 10.176 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.543 -9.246 12.345 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.857 -9.054 11.908 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.912 -11.840 11.671 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.853 -11.206 13.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.788 -12.292 12.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.522 -10.635 12.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.579 -11.248 11.387 1.00 0.00 H new ATOM 927 N GLU A 64 4.504 -6.794 8.412 1.00 0.00 N ATOM 928 CA GLU A 64 5.833 -6.209 8.457 1.00 0.00 C ATOM 929 C GLU A 64 6.456 -6.197 7.059 1.00 0.00 C ATOM 930 O GLU A 64 7.678 -6.209 6.920 1.00 0.00 O ATOM 931 CB GLU A 64 6.728 -6.957 9.449 1.00 0.00 C ATOM 932 CG GLU A 64 6.040 -7.098 10.808 1.00 0.00 C ATOM 933 CD GLU A 64 6.167 -8.526 11.341 1.00 0.00 C ATOM 934 OE1 GLU A 64 6.329 -9.434 10.498 1.00 0.00 O ATOM 935 OE2 GLU A 64 6.099 -8.677 12.580 1.00 0.00 O ATOM 0 H GLU A 64 3.747 -6.151 8.645 1.00 0.00 H new ATOM 0 HA GLU A 64 5.744 -5.179 8.803 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.968 -7.944 9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.671 -6.423 9.568 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.483 -6.400 11.518 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.987 -6.833 10.716 1.00 0.00 H new ATOM 940 N SER A 65 5.586 -6.172 6.059 1.00 0.00 N ATOM 941 CA SER A 65 6.035 -6.157 4.678 1.00 0.00 C ATOM 942 C SER A 65 6.458 -4.742 4.279 1.00 0.00 C ATOM 943 O SER A 65 6.435 -3.828 5.104 1.00 0.00 O ATOM 944 CB SER A 65 4.942 -6.669 3.738 1.00 0.00 C ATOM 945 OG SER A 65 5.177 -8.014 3.327 1.00 0.00 O ATOM 0 H SER A 65 4.573 -6.162 6.179 1.00 0.00 H new ATOM 0 HA SER A 65 6.893 -6.823 4.591 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.975 -6.606 4.238 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.889 -6.026 2.860 1.00 0.00 H new ATOM 0 HG SER A 65 5.442 -8.026 2.383 1.00 0.00 H new ATOM 950 N THR A 66 6.832 -4.603 3.016 1.00 0.00 N ATOM 951 CA THR A 66 7.259 -3.314 2.499 1.00 0.00 C ATOM 952 C THR A 66 6.952 -3.212 1.003 1.00 0.00 C ATOM 953 O THR A 66 7.528 -3.939 0.197 1.00 0.00 O ATOM 954 CB THR A 66 8.743 -3.141 2.828 1.00 0.00 C ATOM 955 OG1 THR A 66 8.807 -3.305 4.242 1.00 0.00 O ATOM 956 CG2 THR A 66 9.231 -1.709 2.597 1.00 0.00 C ATOM 0 H THR A 66 6.848 -5.362 2.335 1.00 0.00 H new ATOM 0 HA THR A 66 6.710 -2.498 2.968 1.00 0.00 H new ATOM 0 HB THR A 66 9.332 -3.828 2.220 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.735 -3.210 4.541 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.290 -1.641 2.846 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.086 -1.439 1.551 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.665 -1.025 3.230 1.00 0.00 H new ATOM 964 N LEU A 67 6.045 -2.302 0.680 1.00 0.00 N ATOM 965 CA LEU A 67 5.655 -2.095 -0.705 1.00 0.00 C ATOM 966 C LEU A 67 6.397 -0.880 -1.263 1.00 0.00 C ATOM 967 O LEU A 67 6.800 0.006 -0.509 1.00 0.00 O ATOM 968 CB LEU A 67 4.133 -1.994 -0.822 1.00 0.00 C ATOM 969 CG LEU A 67 3.337 -3.176 -0.266 1.00 0.00 C ATOM 970 CD1 LEU A 67 4.018 -4.504 -0.605 1.00 0.00 C ATOM 971 CD2 LEU A 67 3.102 -3.020 1.238 1.00 0.00 C ATOM 0 H LEU A 67 5.569 -1.700 1.352 1.00 0.00 H new ATOM 0 HA LEU A 67 5.943 -2.951 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.808 -1.089 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.877 -1.872 -1.874 1.00 0.00 H new ATOM 0 HG LEU A 67 2.358 -3.184 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.432 -5.328 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.090 -4.610 -1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.018 -4.521 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.534 -3.874 1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.061 -2.972 1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.543 -2.103 1.426 1.00 0.00 H new ATOM 982 N HIS A 68 6.555 -0.875 -2.578 1.00 0.00 N ATOM 983 CA HIS A 68 7.241 0.218 -3.246 1.00 0.00 C ATOM 984 C HIS A 68 6.216 1.135 -3.916 1.00 0.00 C ATOM 985 O HIS A 68 5.482 0.706 -4.805 1.00 0.00 O ATOM 986 CB HIS A 68 8.288 -0.316 -4.225 1.00 0.00 C ATOM 987 CG HIS A 68 9.548 -0.820 -3.562 1.00 0.00 C ATOM 988 ND1 HIS A 68 10.750 -0.135 -3.618 1.00 0.00 N ATOM 989 CD2 HIS A 68 9.781 -1.946 -2.830 1.00 0.00 C ATOM 990 CE1 HIS A 68 11.658 -0.828 -2.947 1.00 0.00 C ATOM 991 NE2 HIS A 68 11.056 -1.950 -2.458 1.00 0.00 N ATOM 0 H HIS A 68 6.220 -1.611 -3.199 1.00 0.00 H new ATOM 0 HA HIS A 68 7.784 0.814 -2.512 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.847 -1.125 -4.807 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.551 0.475 -4.927 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.052 -2.707 -2.593 1.00 0.00 H new ATOM 0 HE1 HIS A 68 12.693 -0.553 -2.811 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.510 -2.673 -1.899 1.00 0.00 H new ATOM 998 N LEU A 69 6.199 2.380 -3.463 1.00 0.00 N ATOM 999 CA LEU A 69 5.276 3.361 -4.007 1.00 0.00 C ATOM 1000 C LEU A 69 5.897 4.005 -5.249 1.00 0.00 C ATOM 1001 O LEU A 69 6.845 3.470 -5.821 1.00 0.00 O ATOM 1002 CB LEU A 69 4.869 4.368 -2.930 1.00 0.00 C ATOM 1003 CG LEU A 69 3.411 4.305 -2.470 1.00 0.00 C ATOM 1004 CD1 LEU A 69 3.135 5.344 -1.381 1.00 0.00 C ATOM 1005 CD2 LEU A 69 2.454 4.449 -3.655 1.00 0.00 C ATOM 0 H LEU A 69 6.810 2.732 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 69 4.352 2.879 -4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.510 4.220 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.068 5.372 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 69 3.234 3.323 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.092 5.278 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.781 5.153 -0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.336 6.342 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.425 4.401 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.624 5.407 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.631 3.642 -4.366 1.00 0.00 H new