USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 749 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 30 ASN : amide:sc= -0.392 K(o=0.096,f=-1.2) USER MOD Set 1.2: A 32 SER OG : rot 10:sc= 0.488 USER MOD Single : A 7 SER OG : rot 38:sc= 0.0793 USER MOD Single : A 8 THR OG1 : rot 50:sc= -0.617 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 22 GLN : amide:sc= -1.95 K(o=-1.9,f=-3.3!) USER MOD Single : A 23 ASN : amide:sc= 0.0634 X(o=0.063,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -178:sc= -0.149 (180deg=-0.162) USER MOD Single : A 36 SER OG : rot 180:sc= -0.32 USER MOD Single : A 38 ASN : amide:sc= -1.59 K(o=-1.6,f=-5.3!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -105:sc= 0 (180deg=-1.33) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.125 USER MOD Single : A 50 SER OG : rot -81:sc= 1.03 USER MOD Single : A 53 ASN : amide:sc= 0.433 X(o=0.43,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= 0.188 (180deg=0.125) USER MOD Single : A 63 THR OG1 : rot 93:sc= -0.608 USER MOD Single : A 64 GLN :FLIP amide:sc= -5.67! C(o=-7.1!,f=-5.7!) USER MOD Single : A 66 MET CE :methyl 175:sc= -0.15 (180deg=-0.231) USER MOD Single : A 68 SER OG : rot -81:sc= 1.07 USER MOD Single : A 73 HIS : no HD1:sc= -0.0861 X(o=-0.086,f=-0.00024) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 134:sc= -0.387! USER MOD Single : A 88 THR OG1 : rot 21:sc= 0.617 USER MOD Single : A 89 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0649) USER MOD Single : A 94 GLN :FLIP amide:sc=-0.00842 F(o=-1.2,f=-0.0084) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -12.8! C(o=-13!,f=-20!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0136) USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 7 191.359 -4.900 8.119 1.00 0.00 N ATOM 76 CA SER A 7 190.524 -5.277 6.983 1.00 0.00 C ATOM 77 C SER A 7 189.208 -5.904 7.444 1.00 0.00 C ATOM 78 O SER A 7 188.350 -6.233 6.625 1.00 0.00 O ATOM 79 CB SER A 7 191.275 -6.252 6.075 1.00 0.00 C ATOM 80 OG SER A 7 192.505 -5.699 5.639 1.00 0.00 O ATOM 0 HA SER A 7 190.291 -4.370 6.424 1.00 0.00 H new ATOM 0 HB2 SER A 7 191.461 -7.183 6.611 1.00 0.00 H new ATOM 0 HB3 SER A 7 190.657 -6.499 5.212 1.00 0.00 H new ATOM 0 HG SER A 7 192.908 -5.182 6.368 1.00 0.00 H new ATOM 86 N THR A 8 189.052 -6.071 8.756 1.00 0.00 N ATOM 87 CA THR A 8 187.840 -6.660 9.314 1.00 0.00 C ATOM 88 C THR A 8 186.607 -5.869 8.893 1.00 0.00 C ATOM 89 O THR A 8 185.594 -6.438 8.490 1.00 0.00 O ATOM 90 CB THR A 8 187.944 -6.725 10.843 1.00 0.00 C ATOM 91 OG1 THR A 8 187.227 -7.837 11.348 1.00 0.00 O ATOM 92 CG2 THR A 8 187.429 -5.488 11.553 1.00 0.00 C ATOM 0 H THR A 8 189.750 -5.806 9.451 1.00 0.00 H new ATOM 0 HA THR A 8 187.737 -7.673 8.925 1.00 0.00 H new ATOM 0 HB THR A 8 189.012 -6.810 11.044 1.00 0.00 H new ATOM 0 HG1 THR A 8 187.484 -8.644 10.854 1.00 0.00 H new ATOM 0 HG21 THR A 8 187.538 -5.615 12.630 1.00 0.00 H new ATOM 0 HG22 THR A 8 188.001 -4.618 11.230 1.00 0.00 H new ATOM 0 HG23 THR A 8 186.377 -5.341 11.310 1.00 0.00 H new ATOM 100 N ALA A 9 186.709 -4.554 8.996 1.00 0.00 N ATOM 101 CA ALA A 9 185.611 -3.662 8.634 1.00 0.00 C ATOM 102 C ALA A 9 185.051 -3.993 7.253 1.00 0.00 C ATOM 103 O ALA A 9 183.883 -3.732 6.969 1.00 0.00 O ATOM 104 CB ALA A 9 186.073 -2.214 8.683 1.00 0.00 C ATOM 0 H ALA A 9 187.545 -4.075 9.329 1.00 0.00 H new ATOM 0 HA ALA A 9 184.811 -3.807 9.360 1.00 0.00 H new ATOM 0 HB1 ALA A 9 185.246 -1.559 8.411 1.00 0.00 H new ATOM 0 HB2 ALA A 9 186.410 -1.974 9.691 1.00 0.00 H new ATOM 0 HB3 ALA A 9 186.895 -2.070 7.982 1.00 0.00 H new ATOM 110 N LEU A 10 185.891 -4.566 6.396 1.00 0.00 N ATOM 111 CA LEU A 10 185.474 -4.927 5.046 1.00 0.00 C ATOM 112 C LEU A 10 184.467 -6.071 5.072 1.00 0.00 C ATOM 113 O LEU A 10 183.437 -6.016 4.399 1.00 0.00 O ATOM 114 CB LEU A 10 186.688 -5.317 4.200 1.00 0.00 C ATOM 115 CG LEU A 10 186.367 -5.777 2.776 1.00 0.00 C ATOM 116 CD1 LEU A 10 186.497 -4.618 1.800 1.00 0.00 C ATOM 117 CD2 LEU A 10 187.279 -6.924 2.367 1.00 0.00 C ATOM 0 H LEU A 10 186.862 -4.790 6.612 1.00 0.00 H new ATOM 0 HA LEU A 10 184.993 -4.057 4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 10 187.363 -4.463 4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 10 187.226 -6.116 4.711 1.00 0.00 H new ATOM 0 HG LEU A 10 185.337 -6.133 2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 10 186.265 -4.963 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 10 185.803 -3.826 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 10 187.516 -4.233 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 10 187.036 -7.238 1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 10 188.317 -6.595 2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 10 187.138 -7.762 3.049 1.00 0.00 H new ATOM 129 N ARG A 11 184.765 -7.106 5.851 1.00 0.00 N ATOM 130 CA ARG A 11 183.875 -8.257 5.959 1.00 0.00 C ATOM 131 C ARG A 11 182.458 -7.816 6.320 1.00 0.00 C ATOM 132 O ARG A 11 181.484 -8.499 6.005 1.00 0.00 O ATOM 133 CB ARG A 11 184.408 -9.252 6.998 1.00 0.00 C ATOM 134 CG ARG A 11 184.074 -8.888 8.438 1.00 0.00 C ATOM 135 CD ARG A 11 185.212 -9.242 9.383 1.00 0.00 C ATOM 136 NE ARG A 11 184.729 -9.878 10.607 1.00 0.00 N ATOM 137 CZ ARG A 11 184.345 -11.150 10.679 1.00 0.00 C ATOM 138 NH1 ARG A 11 184.386 -11.926 9.602 1.00 0.00 N ATOM 139 NH2 ARG A 11 183.919 -11.650 11.831 1.00 0.00 N ATOM 0 H ARG A 11 185.612 -7.172 6.415 1.00 0.00 H new ATOM 0 HA ARG A 11 183.841 -8.753 4.989 1.00 0.00 H new ATOM 0 HB2 ARG A 11 184.001 -10.240 6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 11 185.491 -9.323 6.895 1.00 0.00 H new ATOM 0 HG2 ARG A 11 183.864 -7.821 8.505 1.00 0.00 H new ATOM 0 HG3 ARG A 11 183.169 -9.411 8.746 1.00 0.00 H new ATOM 0 HD2 ARG A 11 185.908 -9.911 8.877 1.00 0.00 H new ATOM 0 HD3 ARG A 11 185.766 -8.339 9.638 1.00 0.00 H new ATOM 0 HE ARG A 11 184.684 -9.314 11.456 1.00 0.00 H new ATOM 0 HH11 ARG A 11 184.713 -11.548 8.713 1.00 0.00 H new ATOM 0 HH12 ARG A 11 184.090 -12.900 9.664 1.00 0.00 H new ATOM 0 HH21 ARG A 11 183.886 -11.060 12.662 1.00 0.00 H new ATOM 0 HH22 ARG A 11 183.625 -12.625 11.886 1.00 0.00 H new ATOM 153 N GLU A 12 182.354 -6.668 6.983 1.00 0.00 N ATOM 154 CA GLU A 12 181.060 -6.133 7.386 1.00 0.00 C ATOM 155 C GLU A 12 180.222 -5.754 6.169 1.00 0.00 C ATOM 156 O GLU A 12 179.114 -6.261 5.988 1.00 0.00 O ATOM 157 CB GLU A 12 181.247 -4.916 8.296 1.00 0.00 C ATOM 158 CG GLU A 12 180.923 -5.193 9.755 1.00 0.00 C ATOM 159 CD GLU A 12 180.134 -4.071 10.400 1.00 0.00 C ATOM 160 OE1 GLU A 12 180.718 -2.992 10.635 1.00 0.00 O ATOM 161 OE2 GLU A 12 178.930 -4.270 10.669 1.00 0.00 O ATOM 0 H GLU A 12 183.151 -6.091 7.252 1.00 0.00 H new ATOM 0 HA GLU A 12 180.530 -6.910 7.938 1.00 0.00 H new ATOM 0 HB2 GLU A 12 182.278 -4.571 8.220 1.00 0.00 H new ATOM 0 HB3 GLU A 12 180.613 -4.105 7.939 1.00 0.00 H new ATOM 0 HG2 GLU A 12 180.355 -6.120 9.827 1.00 0.00 H new ATOM 0 HG3 GLU A 12 181.851 -5.344 10.307 1.00 0.00 H new ATOM 168 N LEU A 13 180.751 -4.861 5.334 1.00 0.00 N ATOM 169 CA LEU A 13 180.036 -4.426 4.145 1.00 0.00 C ATOM 170 C LEU A 13 179.906 -5.566 3.139 1.00 0.00 C ATOM 171 O LEU A 13 178.972 -5.596 2.338 1.00 0.00 O ATOM 172 CB LEU A 13 180.750 -3.235 3.507 1.00 0.00 C ATOM 173 CG LEU A 13 180.090 -1.883 3.782 1.00 0.00 C ATOM 174 CD1 LEU A 13 181.109 -0.883 4.298 1.00 0.00 C ATOM 175 CD2 LEU A 13 179.405 -1.354 2.531 1.00 0.00 C ATOM 0 H LEU A 13 181.666 -4.429 5.461 1.00 0.00 H new ATOM 0 HA LEU A 13 179.033 -4.120 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 13 181.777 -3.205 3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 13 180.798 -3.390 2.429 1.00 0.00 H new ATOM 0 HG LEU A 13 179.332 -2.025 4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 13 180.618 0.072 4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 13 181.548 -1.255 5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 13 181.894 -0.747 3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 13 178.942 -0.392 2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 13 180.142 -1.231 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 13 178.640 -2.060 2.209 1.00 0.00 H new ATOM 187 N ILE A 14 180.849 -6.502 3.186 1.00 0.00 N ATOM 188 CA ILE A 14 180.838 -7.638 2.278 1.00 0.00 C ATOM 189 C ILE A 14 179.649 -8.553 2.550 1.00 0.00 C ATOM 190 O ILE A 14 178.848 -8.805 1.663 1.00 0.00 O ATOM 191 CB ILE A 14 182.155 -8.449 2.377 1.00 0.00 C ATOM 192 CG1 ILE A 14 183.114 -8.041 1.257 1.00 0.00 C ATOM 193 CG2 ILE A 14 181.889 -9.952 2.325 1.00 0.00 C ATOM 194 CD1 ILE A 14 183.405 -6.556 1.218 1.00 0.00 C ATOM 0 H ILE A 14 181.629 -6.494 3.844 1.00 0.00 H new ATOM 0 HA ILE A 14 180.748 -7.239 1.268 1.00 0.00 H new ATOM 0 HB ILE A 14 182.615 -8.224 3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 14 184.052 -8.583 1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 14 182.691 -8.345 0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 14 182.833 -10.491 2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 14 181.245 -10.236 3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 14 181.399 -10.202 1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 14 184.092 -6.341 0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 14 182.476 -6.007 1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 14 183.858 -6.249 2.161 1.00 0.00 H new ATOM 206 N GLU A 15 179.559 -9.061 3.773 1.00 0.00 N ATOM 207 CA GLU A 15 178.483 -9.974 4.157 1.00 0.00 C ATOM 208 C GLU A 15 177.120 -9.285 4.174 1.00 0.00 C ATOM 209 O GLU A 15 176.109 -9.892 3.824 1.00 0.00 O ATOM 210 CB GLU A 15 178.770 -10.577 5.533 1.00 0.00 C ATOM 211 CG GLU A 15 180.155 -11.188 5.652 1.00 0.00 C ATOM 212 CD GLU A 15 180.271 -12.515 4.927 1.00 0.00 C ATOM 213 OE1 GLU A 15 179.384 -13.373 5.114 1.00 0.00 O ATOM 214 OE2 GLU A 15 181.250 -12.695 4.172 1.00 0.00 O ATOM 0 H GLU A 15 180.221 -8.856 4.522 1.00 0.00 H new ATOM 0 HA GLU A 15 178.447 -10.763 3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 15 178.658 -9.802 6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 15 178.025 -11.343 5.748 1.00 0.00 H new ATOM 0 HG2 GLU A 15 180.891 -10.492 5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 15 180.396 -11.331 6.705 1.00 0.00 H new ATOM 221 N GLU A 16 177.090 -8.028 4.593 1.00 0.00 N ATOM 222 CA GLU A 16 175.845 -7.278 4.663 1.00 0.00 C ATOM 223 C GLU A 16 175.266 -7.035 3.272 1.00 0.00 C ATOM 224 O GLU A 16 174.086 -7.299 3.014 1.00 0.00 O ATOM 225 CB GLU A 16 176.105 -5.946 5.357 1.00 0.00 C ATOM 226 CG GLU A 16 174.866 -5.319 5.973 1.00 0.00 C ATOM 227 CD GLU A 16 173.742 -5.134 4.972 1.00 0.00 C ATOM 228 OE1 GLU A 16 173.958 -4.437 3.959 1.00 0.00 O ATOM 229 OE2 GLU A 16 172.645 -5.686 5.202 1.00 0.00 O ATOM 0 H GLU A 16 177.915 -7.506 4.890 1.00 0.00 H new ATOM 0 HA GLU A 16 175.118 -7.860 5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 16 176.851 -6.094 6.138 1.00 0.00 H new ATOM 0 HB3 GLU A 16 176.532 -5.249 4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 16 174.516 -5.946 6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 16 175.128 -4.351 6.401 1.00 0.00 H new ATOM 236 N LEU A 17 176.109 -6.535 2.380 1.00 0.00 N ATOM 237 CA LEU A 17 175.702 -6.253 1.018 1.00 0.00 C ATOM 238 C LEU A 17 175.456 -7.550 0.269 1.00 0.00 C ATOM 239 O LEU A 17 174.645 -7.610 -0.656 1.00 0.00 O ATOM 240 CB LEU A 17 176.782 -5.430 0.318 1.00 0.00 C ATOM 241 CG LEU A 17 176.877 -3.959 0.744 1.00 0.00 C ATOM 242 CD1 LEU A 17 175.985 -3.091 -0.130 1.00 0.00 C ATOM 243 CD2 LEU A 17 176.514 -3.785 2.215 1.00 0.00 C ATOM 0 H LEU A 17 177.085 -6.316 2.581 1.00 0.00 H new ATOM 0 HA LEU A 17 174.775 -5.680 1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 17 177.747 -5.904 0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 17 176.602 -5.467 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 17 177.911 -3.640 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 17 176.066 -2.051 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 17 176.299 -3.178 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 17 174.950 -3.420 -0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 17 176.591 -2.732 2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 17 175.493 -4.129 2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 17 177.198 -4.369 2.830 1.00 0.00 H new ATOM 255 N VAL A 18 176.160 -8.591 0.686 1.00 0.00 N ATOM 256 CA VAL A 18 176.021 -9.892 0.074 1.00 0.00 C ATOM 257 C VAL A 18 174.675 -10.501 0.448 1.00 0.00 C ATOM 258 O VAL A 18 174.060 -11.221 -0.337 1.00 0.00 O ATOM 259 CB VAL A 18 177.191 -10.830 0.473 1.00 0.00 C ATOM 260 CG1 VAL A 18 176.777 -11.876 1.499 1.00 0.00 C ATOM 261 CG2 VAL A 18 177.786 -11.495 -0.756 1.00 0.00 C ATOM 0 H VAL A 18 176.835 -8.554 1.450 1.00 0.00 H new ATOM 0 HA VAL A 18 176.060 -9.771 -1.009 1.00 0.00 H new ATOM 0 HB VAL A 18 177.951 -10.206 0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 18 177.633 -12.505 1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 18 176.423 -11.379 2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 18 175.978 -12.493 1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 18 178.605 -12.149 -0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 18 177.018 -12.083 -1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 18 178.162 -10.731 -1.437 1.00 0.00 H new ATOM 271 N ASN A 19 174.223 -10.186 1.658 1.00 0.00 N ATOM 272 CA ASN A 19 172.948 -10.677 2.155 1.00 0.00 C ATOM 273 C ASN A 19 171.792 -9.991 1.436 1.00 0.00 C ATOM 274 O ASN A 19 170.878 -10.653 0.944 1.00 0.00 O ATOM 275 CB ASN A 19 172.838 -10.444 3.663 1.00 0.00 C ATOM 276 CG ASN A 19 171.600 -11.084 4.259 1.00 0.00 C ATOM 277 OD1 ASN A 19 171.386 -12.290 4.128 1.00 0.00 O ATOM 278 ND2 ASN A 19 170.775 -10.279 4.918 1.00 0.00 N ATOM 0 H ASN A 19 174.727 -9.589 2.314 1.00 0.00 H new ATOM 0 HA ASN A 19 172.895 -11.748 1.959 1.00 0.00 H new ATOM 0 HB2 ASN A 19 173.724 -10.846 4.155 1.00 0.00 H new ATOM 0 HB3 ASN A 19 172.821 -9.372 3.862 1.00 0.00 H new ATOM 0 HD21 ASN A 19 169.925 -10.654 5.340 1.00 0.00 H new ATOM 0 HD22 ASN A 19 170.991 -9.286 5.002 1.00 0.00 H new ATOM 285 N ILE A 20 171.832 -8.660 1.373 1.00 0.00 N ATOM 286 CA ILE A 20 170.788 -7.905 0.713 1.00 0.00 C ATOM 287 C ILE A 20 170.666 -8.294 -0.757 1.00 0.00 C ATOM 288 O ILE A 20 169.565 -8.492 -1.269 1.00 0.00 O ATOM 289 CB ILE A 20 171.052 -6.395 0.819 1.00 0.00 C ATOM 290 CG1 ILE A 20 172.351 -6.013 0.101 1.00 0.00 C ATOM 291 CG2 ILE A 20 171.093 -5.964 2.279 1.00 0.00 C ATOM 292 CD1 ILE A 20 172.754 -4.567 0.305 1.00 0.00 C ATOM 0 H ILE A 20 172.578 -8.091 1.773 1.00 0.00 H new ATOM 0 HA ILE A 20 169.852 -8.142 1.218 1.00 0.00 H new ATOM 0 HB ILE A 20 170.233 -5.870 0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 20 173.155 -6.659 0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 20 172.236 -6.202 -0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 20 171.281 -4.892 2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 20 170.138 -6.191 2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 20 171.890 -6.500 2.794 1.00 0.00 H new ATOM 0 HD11 ILE A 20 173.682 -4.369 -0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 20 171.968 -3.913 -0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 20 172.902 -4.377 1.368 1.00 0.00 H new ATOM 304 N THR A 21 171.807 -8.399 -1.429 1.00 0.00 N ATOM 305 CA THR A 21 171.832 -8.763 -2.842 1.00 0.00 C ATOM 306 C THR A 21 171.509 -10.243 -3.036 1.00 0.00 C ATOM 307 O THR A 21 171.019 -10.648 -4.090 1.00 0.00 O ATOM 308 CB THR A 21 173.202 -8.443 -3.447 1.00 0.00 C ATOM 309 OG1 THR A 21 173.158 -8.535 -4.860 1.00 0.00 O ATOM 310 CG2 THR A 21 174.306 -9.359 -2.963 1.00 0.00 C ATOM 0 H THR A 21 172.727 -8.237 -1.019 1.00 0.00 H new ATOM 0 HA THR A 21 171.068 -8.177 -3.354 1.00 0.00 H new ATOM 0 HB THR A 21 173.429 -7.428 -3.121 1.00 0.00 H new ATOM 0 HG1 THR A 21 174.041 -8.326 -5.229 1.00 0.00 H new ATOM 0 HG21 THR A 21 175.247 -9.074 -3.433 1.00 0.00 H new ATOM 0 HG22 THR A 21 174.400 -9.275 -1.880 1.00 0.00 H new ATOM 0 HG23 THR A 21 174.066 -10.389 -3.227 1.00 0.00 H new ATOM 318 N GLN A 22 171.790 -11.047 -2.014 1.00 0.00 N ATOM 319 CA GLN A 22 171.533 -12.483 -2.075 1.00 0.00 C ATOM 320 C GLN A 22 170.071 -12.772 -2.410 1.00 0.00 C ATOM 321 O GLN A 22 169.741 -13.850 -2.903 1.00 0.00 O ATOM 322 CB GLN A 22 171.905 -13.144 -0.745 1.00 0.00 C ATOM 323 CG GLN A 22 173.248 -13.855 -0.777 1.00 0.00 C ATOM 324 CD GLN A 22 173.782 -14.155 0.610 1.00 0.00 C ATOM 325 OE1 GLN A 22 173.096 -13.946 1.611 1.00 0.00 O ATOM 326 NE2 GLN A 22 175.013 -14.647 0.676 1.00 0.00 N ATOM 0 H GLN A 22 172.196 -10.729 -1.134 1.00 0.00 H new ATOM 0 HA GLN A 22 172.152 -12.900 -2.870 1.00 0.00 H new ATOM 0 HB2 GLN A 22 171.923 -12.385 0.037 1.00 0.00 H new ATOM 0 HB3 GLN A 22 171.130 -13.861 -0.475 1.00 0.00 H new ATOM 0 HG2 GLN A 22 173.148 -14.787 -1.333 1.00 0.00 H new ATOM 0 HG3 GLN A 22 173.969 -13.238 -1.314 1.00 0.00 H new ATOM 0 HE21 GLN A 22 175.546 -14.804 -0.179 1.00 0.00 H new ATOM 0 HE22 GLN A 22 175.426 -14.868 1.582 1.00 0.00 H new ATOM 335 N ASN A 23 169.197 -11.805 -2.139 1.00 0.00 N ATOM 336 CA ASN A 23 167.773 -11.961 -2.413 1.00 0.00 C ATOM 337 C ASN A 23 167.535 -12.394 -3.858 1.00 0.00 C ATOM 338 O ASN A 23 168.218 -11.936 -4.774 1.00 0.00 O ATOM 339 CB ASN A 23 167.037 -10.651 -2.133 1.00 0.00 C ATOM 340 CG ASN A 23 166.515 -10.574 -0.712 1.00 0.00 C ATOM 341 OD1 ASN A 23 165.348 -10.864 -0.450 1.00 0.00 O ATOM 342 ND2 ASN A 23 167.382 -10.182 0.214 1.00 0.00 N ATOM 0 H ASN A 23 169.451 -10.906 -1.730 1.00 0.00 H new ATOM 0 HA ASN A 23 167.385 -12.739 -1.755 1.00 0.00 H new ATOM 0 HB2 ASN A 23 167.710 -9.813 -2.316 1.00 0.00 H new ATOM 0 HB3 ASN A 23 166.204 -10.549 -2.829 1.00 0.00 H new ATOM 0 HD21 ASN A 23 167.090 -10.111 1.189 1.00 0.00 H new ATOM 0 HD22 ASN A 23 168.340 -9.952 -0.049 1.00 0.00 H new ATOM 349 N GLN A 24 166.565 -13.282 -4.051 1.00 0.00 N ATOM 350 CA GLN A 24 166.233 -13.782 -5.375 1.00 0.00 C ATOM 351 C GLN A 24 165.877 -12.640 -6.323 1.00 0.00 C ATOM 352 O GLN A 24 166.115 -11.471 -6.019 1.00 0.00 O ATOM 353 CB GLN A 24 165.067 -14.764 -5.276 1.00 0.00 C ATOM 354 CG GLN A 24 165.206 -15.767 -4.141 1.00 0.00 C ATOM 355 CD GLN A 24 164.071 -15.678 -3.139 1.00 0.00 C ATOM 356 OE1 GLN A 24 162.899 -15.788 -3.500 1.00 0.00 O ATOM 357 NE2 GLN A 24 164.414 -15.477 -1.872 1.00 0.00 N ATOM 0 H GLN A 24 165.994 -13.670 -3.301 1.00 0.00 H new ATOM 0 HA GLN A 24 167.107 -14.293 -5.778 1.00 0.00 H new ATOM 0 HB2 GLN A 24 164.142 -14.203 -5.142 1.00 0.00 H new ATOM 0 HB3 GLN A 24 164.978 -15.305 -6.218 1.00 0.00 H new ATOM 0 HG2 GLN A 24 165.242 -16.775 -4.555 1.00 0.00 H new ATOM 0 HG3 GLN A 24 166.153 -15.599 -3.627 1.00 0.00 H new ATOM 0 HE21 GLN A 24 165.398 -15.392 -1.617 1.00 0.00 H new ATOM 0 HE22 GLN A 24 163.693 -15.408 -1.153 1.00 0.00 H new ATOM 366 N LYS A 25 165.304 -12.988 -7.472 1.00 0.00 N ATOM 367 CA LYS A 25 164.913 -11.994 -8.466 1.00 0.00 C ATOM 368 C LYS A 25 164.011 -10.928 -7.851 1.00 0.00 C ATOM 369 O LYS A 25 163.971 -9.790 -8.317 1.00 0.00 O ATOM 370 CB LYS A 25 164.198 -12.669 -9.638 1.00 0.00 C ATOM 371 CG LYS A 25 165.022 -13.755 -10.310 1.00 0.00 C ATOM 372 CD LYS A 25 166.346 -13.213 -10.823 1.00 0.00 C ATOM 373 CE LYS A 25 167.200 -14.313 -11.432 1.00 0.00 C ATOM 374 NZ LYS A 25 168.116 -14.925 -10.430 1.00 0.00 N ATOM 0 H LYS A 25 165.100 -13.952 -7.737 1.00 0.00 H new ATOM 0 HA LYS A 25 165.818 -11.509 -8.830 1.00 0.00 H new ATOM 0 HB2 LYS A 25 163.263 -13.102 -9.282 1.00 0.00 H new ATOM 0 HB3 LYS A 25 163.937 -11.912 -10.378 1.00 0.00 H new ATOM 0 HG2 LYS A 25 165.208 -14.562 -9.602 1.00 0.00 H new ATOM 0 HG3 LYS A 25 164.457 -14.182 -11.139 1.00 0.00 H new ATOM 0 HD2 LYS A 25 166.160 -12.441 -11.569 1.00 0.00 H new ATOM 0 HD3 LYS A 25 166.889 -12.741 -10.004 1.00 0.00 H new ATOM 0 HE2 LYS A 25 166.554 -15.084 -11.851 1.00 0.00 H new ATOM 0 HE3 LYS A 25 167.785 -13.904 -12.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 168.681 -15.670 -10.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 168.750 -14.195 -10.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 167.558 -15.338 -9.656 1.00 0.00 H new ATOM 388 N ALA A 26 163.287 -11.306 -6.800 1.00 0.00 N ATOM 389 CA ALA A 26 162.387 -10.384 -6.119 1.00 0.00 C ATOM 390 C ALA A 26 163.115 -9.109 -5.701 1.00 0.00 C ATOM 391 O ALA A 26 164.322 -9.122 -5.463 1.00 0.00 O ATOM 392 CB ALA A 26 161.761 -11.058 -4.907 1.00 0.00 C ATOM 0 H ALA A 26 163.307 -12.245 -6.403 1.00 0.00 H new ATOM 0 HA ALA A 26 161.597 -10.106 -6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 26 161.091 -10.358 -4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 26 161.197 -11.934 -5.228 1.00 0.00 H new ATOM 0 HB3 ALA A 26 162.546 -11.365 -4.216 1.00 0.00 H new ATOM 398 N PRO A 27 162.384 -7.987 -5.610 1.00 0.00 N ATOM 399 CA PRO A 27 162.948 -6.690 -5.223 1.00 0.00 C ATOM 400 C PRO A 27 163.157 -6.565 -3.718 1.00 0.00 C ATOM 401 O PRO A 27 162.839 -7.480 -2.959 1.00 0.00 O ATOM 402 CB PRO A 27 161.880 -5.723 -5.702 1.00 0.00 C ATOM 403 CG PRO A 27 160.652 -6.476 -5.416 1.00 0.00 C ATOM 404 CD PRO A 27 160.940 -7.876 -5.877 1.00 0.00 C ATOM 0 HA PRO A 27 163.937 -6.518 -5.647 1.00 0.00 H new ATOM 0 HB2 PRO A 27 161.914 -4.775 -5.165 1.00 0.00 H new ATOM 0 HB3 PRO A 27 161.982 -5.492 -6.762 1.00 0.00 H new ATOM 0 HG2 PRO A 27 160.412 -6.452 -4.353 1.00 0.00 H new ATOM 0 HG3 PRO A 27 159.798 -6.054 -5.945 1.00 0.00 H new ATOM 0 HD2 PRO A 27 160.363 -8.616 -5.323 1.00 0.00 H new ATOM 0 HD3 PRO A 27 160.707 -8.015 -6.933 1.00 0.00 H new ATOM 412 N LEU A 28 163.695 -5.426 -3.294 1.00 0.00 N ATOM 413 CA LEU A 28 163.949 -5.180 -1.879 1.00 0.00 C ATOM 414 C LEU A 28 162.666 -5.305 -1.064 1.00 0.00 C ATOM 415 O LEU A 28 162.406 -6.339 -0.449 1.00 0.00 O ATOM 416 CB LEU A 28 164.572 -3.792 -1.686 1.00 0.00 C ATOM 417 CG LEU A 28 164.675 -3.316 -0.234 1.00 0.00 C ATOM 418 CD1 LEU A 28 165.273 -4.402 0.647 1.00 0.00 C ATOM 419 CD2 LEU A 28 165.504 -2.043 -0.150 1.00 0.00 C ATOM 0 H LEU A 28 163.964 -4.659 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 28 164.651 -5.934 -1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 28 165.571 -3.797 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 28 163.984 -3.067 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 28 163.670 -3.099 0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 28 165.337 -4.043 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 28 164.640 -5.289 0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 28 166.271 -4.654 0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 28 165.567 -1.718 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 28 166.507 -2.236 -0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 28 165.033 -1.262 -0.746 1.00 0.00 H new ATOM 431 N CYS A 29 161.872 -4.244 -1.062 1.00 0.00 N ATOM 432 CA CYS A 29 160.616 -4.228 -0.322 1.00 0.00 C ATOM 433 C CYS A 29 159.436 -4.547 -1.237 1.00 0.00 C ATOM 434 O CYS A 29 158.758 -5.559 -1.058 1.00 0.00 O ATOM 435 CB CYS A 29 160.412 -2.866 0.345 1.00 0.00 C ATOM 436 SG CYS A 29 160.432 -2.921 2.167 1.00 0.00 S ATOM 0 H CYS A 29 162.075 -3.380 -1.565 1.00 0.00 H new ATOM 0 HA CYS A 29 160.667 -4.997 0.448 1.00 0.00 H new ATOM 0 HB2 CYS A 29 161.192 -2.186 0.004 1.00 0.00 H new ATOM 0 HB3 CYS A 29 159.460 -2.450 0.015 1.00 0.00 H new ATOM 441 N ASN A 30 159.195 -3.679 -2.214 1.00 0.00 N ATOM 442 CA ASN A 30 158.094 -3.874 -3.152 1.00 0.00 C ATOM 443 C ASN A 30 158.369 -3.168 -4.477 1.00 0.00 C ATOM 444 O ASN A 30 157.554 -2.375 -4.952 1.00 0.00 O ATOM 445 CB ASN A 30 156.786 -3.360 -2.546 1.00 0.00 C ATOM 446 CG ASN A 30 156.874 -1.905 -2.130 1.00 0.00 C ATOM 447 OD1 ASN A 30 156.628 -1.003 -2.930 1.00 0.00 O ATOM 448 ND2 ASN A 30 157.226 -1.670 -0.871 1.00 0.00 N ATOM 0 H ASN A 30 159.745 -2.836 -2.377 1.00 0.00 H new ATOM 0 HA ASN A 30 158.002 -4.942 -3.348 1.00 0.00 H new ATOM 0 HB2 ASN A 30 155.981 -3.480 -3.271 1.00 0.00 H new ATOM 0 HB3 ASN A 30 156.527 -3.968 -1.679 1.00 0.00 H new ATOM 0 HD21 ASN A 30 157.301 -0.711 -0.533 1.00 0.00 H new ATOM 0 HD22 ASN A 30 157.421 -2.449 -0.242 1.00 0.00 H new ATOM 455 N GLY A 31 159.520 -3.463 -5.073 1.00 0.00 N ATOM 456 CA GLY A 31 159.881 -2.851 -6.340 1.00 0.00 C ATOM 457 C GLY A 31 159.836 -1.335 -6.294 1.00 0.00 C ATOM 458 O GLY A 31 159.642 -0.682 -7.319 1.00 0.00 O ATOM 0 H GLY A 31 160.210 -4.116 -4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 31 160.884 -3.172 -6.621 1.00 0.00 H new ATOM 0 HA3 GLY A 31 159.204 -3.207 -7.116 1.00 0.00 H new ATOM 462 N SER A 32 160.017 -0.775 -5.102 1.00 0.00 N ATOM 463 CA SER A 32 159.997 0.672 -4.926 1.00 0.00 C ATOM 464 C SER A 32 161.194 1.321 -5.611 1.00 0.00 C ATOM 465 O SER A 32 162.332 1.167 -5.168 1.00 0.00 O ATOM 466 CB SER A 32 160.000 1.023 -3.439 1.00 0.00 C ATOM 467 OG SER A 32 158.820 0.565 -2.802 1.00 0.00 O ATOM 0 H SER A 32 160.179 -1.302 -4.244 1.00 0.00 H new ATOM 0 HA SER A 32 159.086 1.056 -5.385 1.00 0.00 H new ATOM 0 HB2 SER A 32 160.872 0.578 -2.959 1.00 0.00 H new ATOM 0 HB3 SER A 32 160.086 2.103 -3.318 1.00 0.00 H new ATOM 0 HG SER A 32 158.325 -0.020 -3.413 1.00 0.00 H new ATOM 473 N MET A 33 160.934 2.051 -6.691 1.00 0.00 N ATOM 474 CA MET A 33 161.988 2.721 -7.431 1.00 0.00 C ATOM 475 C MET A 33 162.835 3.592 -6.510 1.00 0.00 C ATOM 476 O MET A 33 162.407 3.961 -5.417 1.00 0.00 O ATOM 477 CB MET A 33 161.386 3.573 -8.544 1.00 0.00 C ATOM 478 CG MET A 33 160.331 2.853 -9.367 1.00 0.00 C ATOM 479 SD MET A 33 160.928 1.297 -10.057 1.00 0.00 S ATOM 480 CE MET A 33 162.135 1.893 -11.239 1.00 0.00 C ATOM 0 H MET A 33 159.998 2.192 -7.071 1.00 0.00 H new ATOM 0 HA MET A 33 162.632 1.959 -7.869 1.00 0.00 H new ATOM 0 HB2 MET A 33 160.943 4.467 -8.105 1.00 0.00 H new ATOM 0 HB3 MET A 33 162.185 3.906 -9.206 1.00 0.00 H new ATOM 0 HG2 MET A 33 159.459 2.658 -8.742 1.00 0.00 H new ATOM 0 HG3 MET A 33 160.003 3.503 -10.178 1.00 0.00 H new ATOM 0 HE1 MET A 33 162.568 1.048 -11.774 1.00 0.00 H new ATOM 0 HE2 MET A 33 161.649 2.562 -11.949 1.00 0.00 H new ATOM 0 HE3 MET A 33 162.923 2.432 -10.714 1.00 0.00 H new ATOM 490 N VAL A 34 164.040 3.910 -6.961 1.00 0.00 N ATOM 491 CA VAL A 34 164.957 4.734 -6.179 1.00 0.00 C ATOM 492 C VAL A 34 165.726 5.709 -7.068 1.00 0.00 C ATOM 493 O VAL A 34 165.632 5.657 -8.293 1.00 0.00 O ATOM 494 CB VAL A 34 165.960 3.875 -5.376 1.00 0.00 C ATOM 495 CG1 VAL A 34 165.468 3.674 -3.951 1.00 0.00 C ATOM 496 CG2 VAL A 34 166.201 2.532 -6.054 1.00 0.00 C ATOM 0 H VAL A 34 164.408 3.611 -7.864 1.00 0.00 H new ATOM 0 HA VAL A 34 164.342 5.299 -5.478 1.00 0.00 H new ATOM 0 HB VAL A 34 166.910 4.409 -5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 34 166.187 3.067 -3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 34 165.362 4.643 -3.463 1.00 0.00 H new ATOM 0 HG13 VAL A 34 164.503 3.168 -3.967 1.00 0.00 H new ATOM 0 HG21 VAL A 34 166.911 1.950 -5.466 1.00 0.00 H new ATOM 0 HG22 VAL A 34 165.259 1.988 -6.129 1.00 0.00 H new ATOM 0 HG23 VAL A 34 166.606 2.696 -7.053 1.00 0.00 H new ATOM 506 N TRP A 35 166.479 6.605 -6.435 1.00 0.00 N ATOM 507 CA TRP A 35 167.264 7.608 -7.152 1.00 0.00 C ATOM 508 C TRP A 35 168.514 7.000 -7.782 1.00 0.00 C ATOM 509 O TRP A 35 168.986 7.472 -8.814 1.00 0.00 O ATOM 510 CB TRP A 35 167.678 8.722 -6.194 1.00 0.00 C ATOM 511 CG TRP A 35 166.654 9.793 -6.030 1.00 0.00 C ATOM 512 CD1 TRP A 35 166.262 10.358 -4.857 1.00 0.00 C ATOM 513 CD2 TRP A 35 165.900 10.438 -7.064 1.00 0.00 C ATOM 514 NE1 TRP A 35 165.312 11.314 -5.091 1.00 0.00 N ATOM 515 CE2 TRP A 35 165.068 11.383 -6.437 1.00 0.00 C ATOM 516 CE3 TRP A 35 165.844 10.311 -8.456 1.00 0.00 C ATOM 517 CZ2 TRP A 35 164.191 12.195 -7.152 1.00 0.00 C ATOM 518 CZ3 TRP A 35 164.974 11.118 -9.164 1.00 0.00 C ATOM 519 CH2 TRP A 35 164.157 12.050 -8.511 1.00 0.00 C ATOM 0 H TRP A 35 166.563 6.657 -5.420 1.00 0.00 H new ATOM 0 HA TRP A 35 166.639 8.009 -7.949 1.00 0.00 H new ATOM 0 HB2 TRP A 35 167.893 8.287 -5.218 1.00 0.00 H new ATOM 0 HB3 TRP A 35 168.604 9.171 -6.554 1.00 0.00 H new ATOM 0 HD1 TRP A 35 166.645 10.091 -3.883 1.00 0.00 H new ATOM 0 HE1 TRP A 35 164.858 11.884 -4.377 1.00 0.00 H new ATOM 0 HE3 TRP A 35 166.470 9.595 -8.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 163.560 12.914 -6.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 164.923 11.029 -10.239 1.00 0.00 H new ATOM 0 HH2 TRP A 35 163.487 12.666 -9.093 1.00 0.00 H new ATOM 530 N SER A 36 169.038 5.962 -7.128 1.00 0.00 N ATOM 531 CA SER A 36 170.241 5.244 -7.557 1.00 0.00 C ATOM 532 C SER A 36 171.480 5.791 -6.857 1.00 0.00 C ATOM 533 O SER A 36 171.424 6.820 -6.184 1.00 0.00 O ATOM 534 CB SER A 36 170.425 5.328 -9.061 1.00 0.00 C ATOM 535 OG SER A 36 171.666 4.775 -9.462 1.00 0.00 O ATOM 0 H SER A 36 168.631 5.590 -6.270 1.00 0.00 H new ATOM 0 HA SER A 36 170.110 4.198 -7.280 1.00 0.00 H new ATOM 0 HB2 SER A 36 169.612 4.800 -9.559 1.00 0.00 H new ATOM 0 HB3 SER A 36 170.370 6.369 -9.378 1.00 0.00 H new ATOM 0 HG SER A 36 171.755 4.842 -10.436 1.00 0.00 H new ATOM 541 N ILE A 37 172.597 5.088 -7.015 1.00 0.00 N ATOM 542 CA ILE A 37 173.841 5.469 -6.414 1.00 0.00 C ATOM 543 C ILE A 37 174.491 6.626 -7.165 1.00 0.00 C ATOM 544 O ILE A 37 174.134 6.924 -8.305 1.00 0.00 O ATOM 545 CB ILE A 37 174.790 4.264 -6.415 1.00 0.00 C ATOM 546 CG1 ILE A 37 174.133 3.064 -5.727 1.00 0.00 C ATOM 547 CG2 ILE A 37 176.082 4.621 -5.747 1.00 0.00 C ATOM 548 CD1 ILE A 37 174.146 3.151 -4.215 1.00 0.00 C ATOM 0 H ILE A 37 172.650 4.234 -7.570 1.00 0.00 H new ATOM 0 HA ILE A 37 173.643 5.796 -5.393 1.00 0.00 H new ATOM 0 HB ILE A 37 175.003 3.987 -7.447 1.00 0.00 H new ATOM 0 HG12 ILE A 37 173.102 2.979 -6.069 1.00 0.00 H new ATOM 0 HG13 ILE A 37 174.647 2.153 -6.035 1.00 0.00 H new ATOM 0 HG21 ILE A 37 176.746 3.757 -5.755 1.00 0.00 H new ATOM 0 HG22 ILE A 37 176.553 5.445 -6.282 1.00 0.00 H new ATOM 0 HG23 ILE A 37 175.888 4.921 -4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 37 173.664 2.268 -3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 37 175.176 3.204 -3.862 1.00 0.00 H new ATOM 0 HD13 ILE A 37 173.607 4.044 -3.897 1.00 0.00 H new ATOM 560 N ASN A 38 175.457 7.258 -6.518 1.00 0.00 N ATOM 561 CA ASN A 38 176.183 8.370 -7.111 1.00 0.00 C ATOM 562 C ASN A 38 177.610 7.942 -7.427 1.00 0.00 C ATOM 563 O ASN A 38 178.563 8.393 -6.791 1.00 0.00 O ATOM 564 CB ASN A 38 176.191 9.570 -6.163 1.00 0.00 C ATOM 565 CG ASN A 38 175.060 10.539 -6.446 1.00 0.00 C ATOM 566 OD1 ASN A 38 173.892 10.234 -6.208 1.00 0.00 O ATOM 567 ND2 ASN A 38 175.403 11.715 -6.958 1.00 0.00 N ATOM 0 H ASN A 38 175.759 7.017 -5.574 1.00 0.00 H new ATOM 0 HA ASN A 38 175.684 8.664 -8.035 1.00 0.00 H new ATOM 0 HB2 ASN A 38 176.115 9.217 -5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 38 177.144 10.092 -6.251 1.00 0.00 H new ATOM 0 HD21 ASN A 38 174.685 12.408 -7.170 1.00 0.00 H new ATOM 0 HD22 ASN A 38 176.384 11.926 -7.139 1.00 0.00 H new ATOM 574 N LEU A 39 177.745 7.060 -8.409 1.00 0.00 N ATOM 575 CA LEU A 39 179.045 6.550 -8.816 1.00 0.00 C ATOM 576 C LEU A 39 179.821 7.605 -9.574 1.00 0.00 C ATOM 577 O LEU A 39 180.179 7.440 -10.740 1.00 0.00 O ATOM 578 CB LEU A 39 178.873 5.295 -9.651 1.00 0.00 C ATOM 579 CG LEU A 39 178.353 4.104 -8.856 1.00 0.00 C ATOM 580 CD1 LEU A 39 176.960 3.720 -9.316 1.00 0.00 C ATOM 581 CD2 LEU A 39 179.314 2.938 -8.967 1.00 0.00 C ATOM 0 H LEU A 39 176.962 6.681 -8.941 1.00 0.00 H new ATOM 0 HA LEU A 39 179.617 6.295 -7.924 1.00 0.00 H new ATOM 0 HB2 LEU A 39 178.184 5.504 -10.470 1.00 0.00 H new ATOM 0 HB3 LEU A 39 179.831 5.032 -10.100 1.00 0.00 H new ATOM 0 HG LEU A 39 178.286 4.386 -7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 39 176.607 2.867 -8.736 1.00 0.00 H new ATOM 0 HD12 LEU A 39 176.284 4.562 -9.171 1.00 0.00 H new ATOM 0 HD13 LEU A 39 176.986 3.454 -10.373 1.00 0.00 H new ATOM 0 HD21 LEU A 39 178.930 2.094 -8.394 1.00 0.00 H new ATOM 0 HD22 LEU A 39 179.417 2.650 -10.013 1.00 0.00 H new ATOM 0 HD23 LEU A 39 180.288 3.230 -8.574 1.00 0.00 H new ATOM 593 N THR A 40 180.065 8.690 -8.875 1.00 0.00 N ATOM 594 CA THR A 40 180.799 9.827 -9.419 1.00 0.00 C ATOM 595 C THR A 40 181.093 10.852 -8.326 1.00 0.00 C ATOM 596 O THR A 40 182.183 11.421 -8.272 1.00 0.00 O ATOM 597 CB THR A 40 180.003 10.481 -10.549 1.00 0.00 C ATOM 598 OG1 THR A 40 180.584 11.719 -10.919 1.00 0.00 O ATOM 599 CG2 THR A 40 178.557 10.741 -10.189 1.00 0.00 C ATOM 0 H THR A 40 179.762 8.817 -7.909 1.00 0.00 H new ATOM 0 HA THR A 40 181.746 9.463 -9.817 1.00 0.00 H new ATOM 0 HB THR A 40 180.032 9.769 -11.374 1.00 0.00 H new ATOM 0 HG1 THR A 40 180.062 12.122 -11.644 1.00 0.00 H new ATOM 0 HG21 THR A 40 178.050 11.206 -11.034 1.00 0.00 H new ATOM 0 HG22 THR A 40 178.067 9.798 -9.946 1.00 0.00 H new ATOM 0 HG23 THR A 40 178.511 11.407 -9.327 1.00 0.00 H new ATOM 607 N ALA A 41 180.112 11.081 -7.457 1.00 0.00 N ATOM 608 CA ALA A 41 180.262 12.035 -6.363 1.00 0.00 C ATOM 609 C ALA A 41 179.162 11.851 -5.323 1.00 0.00 C ATOM 610 O ALA A 41 177.982 12.047 -5.613 1.00 0.00 O ATOM 611 CB ALA A 41 180.252 13.458 -6.900 1.00 0.00 C ATOM 0 H ALA A 41 179.204 10.618 -7.490 1.00 0.00 H new ATOM 0 HA ALA A 41 181.220 11.849 -5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 41 180.365 14.160 -6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 41 181.076 13.588 -7.601 1.00 0.00 H new ATOM 0 HB3 ALA A 41 179.308 13.648 -7.411 1.00 0.00 H new ATOM 617 N GLY A 42 179.554 11.468 -4.111 1.00 0.00 N ATOM 618 CA GLY A 42 178.584 11.260 -3.050 1.00 0.00 C ATOM 619 C GLY A 42 177.850 9.943 -3.198 1.00 0.00 C ATOM 620 O GLY A 42 176.651 9.856 -2.934 1.00 0.00 O ATOM 0 H GLY A 42 180.524 11.298 -3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 42 179.091 11.285 -2.086 1.00 0.00 H new ATOM 0 HA3 GLY A 42 177.864 12.078 -3.053 1.00 0.00 H new ATOM 624 N MET A 43 178.575 8.921 -3.633 1.00 0.00 N ATOM 625 CA MET A 43 178.000 7.595 -3.835 1.00 0.00 C ATOM 626 C MET A 43 177.371 7.054 -2.551 1.00 0.00 C ATOM 627 O MET A 43 176.240 6.564 -2.564 1.00 0.00 O ATOM 628 CB MET A 43 179.067 6.622 -4.349 1.00 0.00 C ATOM 629 CG MET A 43 180.433 6.798 -3.699 1.00 0.00 C ATOM 630 SD MET A 43 181.597 7.689 -4.750 1.00 0.00 S ATOM 631 CE MET A 43 182.739 8.325 -3.526 1.00 0.00 C ATOM 0 H MET A 43 179.569 8.985 -3.854 1.00 0.00 H new ATOM 0 HA MET A 43 177.212 7.688 -4.582 1.00 0.00 H new ATOM 0 HB2 MET A 43 178.725 5.601 -4.179 1.00 0.00 H new ATOM 0 HB3 MET A 43 179.170 6.749 -5.427 1.00 0.00 H new ATOM 0 HG2 MET A 43 180.316 7.335 -2.758 1.00 0.00 H new ATOM 0 HG3 MET A 43 180.845 5.818 -3.458 1.00 0.00 H new ATOM 0 HE1 MET A 43 182.563 9.391 -3.383 1.00 0.00 H new ATOM 0 HE2 MET A 43 182.588 7.803 -2.581 1.00 0.00 H new ATOM 0 HE3 MET A 43 183.762 8.169 -3.867 1.00 0.00 H new ATOM 641 N TYR A 44 178.105 7.139 -1.446 1.00 0.00 N ATOM 642 CA TYR A 44 177.612 6.650 -0.163 1.00 0.00 C ATOM 643 C TYR A 44 176.413 7.465 0.310 1.00 0.00 C ATOM 644 O TYR A 44 175.325 6.925 0.519 1.00 0.00 O ATOM 645 CB TYR A 44 178.723 6.699 0.887 1.00 0.00 C ATOM 646 CG TYR A 44 179.598 5.465 0.902 1.00 0.00 C ATOM 647 CD1 TYR A 44 180.121 4.947 -0.277 1.00 0.00 C ATOM 648 CD2 TYR A 44 179.900 4.818 2.093 1.00 0.00 C ATOM 649 CE1 TYR A 44 180.920 3.820 -0.268 1.00 0.00 C ATOM 650 CE2 TYR A 44 180.699 3.691 2.110 1.00 0.00 C ATOM 651 CZ TYR A 44 181.207 3.196 0.928 1.00 0.00 C ATOM 652 OH TYR A 44 182.003 2.074 0.940 1.00 0.00 O ATOM 0 H TYR A 44 179.042 7.541 -1.413 1.00 0.00 H new ATOM 0 HA TYR A 44 177.293 5.616 -0.297 1.00 0.00 H new ATOM 0 HB2 TYR A 44 179.347 7.574 0.703 1.00 0.00 H new ATOM 0 HB3 TYR A 44 178.275 6.828 1.872 1.00 0.00 H new ATOM 0 HD1 TYR A 44 179.899 5.433 -1.215 1.00 0.00 H new ATOM 0 HD2 TYR A 44 179.504 5.202 3.021 1.00 0.00 H new ATOM 0 HE1 TYR A 44 181.318 3.430 -1.193 1.00 0.00 H new ATOM 0 HE2 TYR A 44 180.925 3.200 3.045 1.00 0.00 H new ATOM 0 HH TYR A 44 182.108 1.757 1.861 1.00 0.00 H new ATOM 662 N CYS A 45 176.615 8.768 0.475 1.00 0.00 N ATOM 663 CA CYS A 45 175.546 9.653 0.922 1.00 0.00 C ATOM 664 C CYS A 45 174.353 9.580 -0.022 1.00 0.00 C ATOM 665 O CYS A 45 173.215 9.812 0.384 1.00 0.00 O ATOM 666 CB CYS A 45 176.048 11.092 1.020 1.00 0.00 C ATOM 667 SG CYS A 45 175.047 12.150 2.113 1.00 0.00 S ATOM 0 H CYS A 45 177.507 9.233 0.306 1.00 0.00 H new ATOM 0 HA CYS A 45 175.227 9.324 1.911 1.00 0.00 H new ATOM 0 HB2 CYS A 45 177.077 11.084 1.381 1.00 0.00 H new ATOM 0 HB3 CYS A 45 176.064 11.530 0.022 1.00 0.00 H new ATOM 672 N ALA A 46 174.617 9.249 -1.281 1.00 0.00 N ATOM 673 CA ALA A 46 173.557 9.135 -2.273 1.00 0.00 C ATOM 674 C ALA A 46 172.668 7.938 -1.963 1.00 0.00 C ATOM 675 O ALA A 46 171.441 8.052 -1.900 1.00 0.00 O ATOM 676 CB ALA A 46 174.148 9.008 -3.669 1.00 0.00 C ATOM 0 H ALA A 46 175.553 9.056 -1.637 1.00 0.00 H new ATOM 0 HA ALA A 46 172.949 10.039 -2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 46 173.343 8.924 -4.399 1.00 0.00 H new ATOM 0 HB2 ALA A 46 174.748 9.890 -3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 46 174.777 8.119 -3.718 1.00 0.00 H new ATOM 682 N ALA A 47 173.300 6.787 -1.763 1.00 0.00 N ATOM 683 CA ALA A 47 172.575 5.566 -1.451 1.00 0.00 C ATOM 684 C ALA A 47 171.893 5.664 -0.090 1.00 0.00 C ATOM 685 O ALA A 47 170.896 4.990 0.162 1.00 0.00 O ATOM 686 CB ALA A 47 173.515 4.370 -1.489 1.00 0.00 C ATOM 0 H ALA A 47 174.313 6.676 -1.812 1.00 0.00 H new ATOM 0 HA ALA A 47 171.801 5.429 -2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 47 172.959 3.463 -1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 47 173.950 4.281 -2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 47 174.310 4.509 -0.756 1.00 0.00 H new ATOM 692 N LEU A 48 172.432 6.512 0.782 1.00 0.00 N ATOM 693 CA LEU A 48 171.876 6.701 2.108 1.00 0.00 C ATOM 694 C LEU A 48 170.639 7.576 2.042 1.00 0.00 C ATOM 695 O LEU A 48 169.643 7.319 2.718 1.00 0.00 O ATOM 696 CB LEU A 48 172.920 7.346 3.017 1.00 0.00 C ATOM 697 CG LEU A 48 172.398 7.808 4.378 1.00 0.00 C ATOM 698 CD1 LEU A 48 171.750 6.651 5.124 1.00 0.00 C ATOM 699 CD2 LEU A 48 173.523 8.415 5.201 1.00 0.00 C ATOM 0 H LEU A 48 173.257 7.079 0.588 1.00 0.00 H new ATOM 0 HA LEU A 48 171.595 5.729 2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 48 173.729 6.633 3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 48 173.349 8.204 2.500 1.00 0.00 H new ATOM 0 HG LEU A 48 171.641 8.575 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 48 171.385 7.000 6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 48 170.916 6.263 4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 48 172.484 5.860 5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 48 173.134 8.738 6.166 1.00 0.00 H new ATOM 0 HD22 LEU A 48 174.304 7.670 5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 48 173.939 9.272 4.672 1.00 0.00 H new ATOM 711 N GLU A 49 170.716 8.620 1.230 1.00 0.00 N ATOM 712 CA GLU A 49 169.607 9.541 1.084 1.00 0.00 C ATOM 713 C GLU A 49 168.420 8.866 0.406 1.00 0.00 C ATOM 714 O GLU A 49 167.267 9.124 0.753 1.00 0.00 O ATOM 715 CB GLU A 49 170.031 10.784 0.299 1.00 0.00 C ATOM 716 CG GLU A 49 170.493 10.488 -1.116 1.00 0.00 C ATOM 717 CD GLU A 49 170.515 11.724 -1.993 1.00 0.00 C ATOM 718 OE1 GLU A 49 169.502 12.454 -2.016 1.00 0.00 O ATOM 719 OE2 GLU A 49 171.546 11.963 -2.656 1.00 0.00 O ATOM 0 H GLU A 49 171.534 8.847 0.665 1.00 0.00 H new ATOM 0 HA GLU A 49 169.299 9.851 2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 49 169.193 11.480 0.259 1.00 0.00 H new ATOM 0 HB3 GLU A 49 170.836 11.284 0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 49 171.491 10.052 -1.084 1.00 0.00 H new ATOM 0 HG3 GLU A 49 169.834 9.743 -1.561 1.00 0.00 H new ATOM 726 N SER A 50 168.706 8.001 -0.562 1.00 0.00 N ATOM 727 CA SER A 50 167.653 7.295 -1.283 1.00 0.00 C ATOM 728 C SER A 50 167.147 6.094 -0.485 1.00 0.00 C ATOM 729 O SER A 50 165.972 5.735 -0.569 1.00 0.00 O ATOM 730 CB SER A 50 168.157 6.840 -2.652 1.00 0.00 C ATOM 731 OG SER A 50 169.556 6.615 -2.633 1.00 0.00 O ATOM 0 H SER A 50 169.653 7.773 -0.864 1.00 0.00 H new ATOM 0 HA SER A 50 166.822 7.986 -1.422 1.00 0.00 H new ATOM 0 HB2 SER A 50 167.643 5.925 -2.946 1.00 0.00 H new ATOM 0 HB3 SER A 50 167.917 7.595 -3.400 1.00 0.00 H new ATOM 0 HG SER A 50 170.026 7.471 -2.718 1.00 0.00 H new ATOM 737 N LEU A 51 168.037 5.474 0.285 1.00 0.00 N ATOM 738 CA LEU A 51 167.675 4.314 1.090 1.00 0.00 C ATOM 739 C LEU A 51 166.821 4.719 2.288 1.00 0.00 C ATOM 740 O LEU A 51 165.891 4.008 2.668 1.00 0.00 O ATOM 741 CB LEU A 51 168.934 3.594 1.572 1.00 0.00 C ATOM 742 CG LEU A 51 169.564 2.640 0.556 1.00 0.00 C ATOM 743 CD1 LEU A 51 170.993 2.303 0.954 1.00 0.00 C ATOM 744 CD2 LEU A 51 168.730 1.374 0.427 1.00 0.00 C ATOM 0 H LEU A 51 169.014 5.756 0.368 1.00 0.00 H new ATOM 0 HA LEU A 51 167.090 3.640 0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 51 169.676 4.341 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 51 168.690 3.031 2.473 1.00 0.00 H new ATOM 0 HG LEU A 51 169.588 3.136 -0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 51 171.425 1.623 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 51 171.585 3.217 0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 51 170.995 1.826 1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 51 169.192 0.706 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 51 168.674 0.875 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 51 167.725 1.633 0.094 1.00 0.00 H new ATOM 756 N ILE A 52 167.147 5.861 2.884 1.00 0.00 N ATOM 757 CA ILE A 52 166.413 6.356 4.043 1.00 0.00 C ATOM 758 C ILE A 52 164.933 6.547 3.721 1.00 0.00 C ATOM 759 O ILE A 52 164.081 6.475 4.606 1.00 0.00 O ATOM 760 CB ILE A 52 167.009 7.684 4.557 1.00 0.00 C ATOM 761 CG1 ILE A 52 166.351 8.093 5.883 1.00 0.00 C ATOM 762 CG2 ILE A 52 166.873 8.783 3.510 1.00 0.00 C ATOM 763 CD1 ILE A 52 165.000 8.765 5.729 1.00 0.00 C ATOM 0 H ILE A 52 167.915 6.461 2.584 1.00 0.00 H new ATOM 0 HA ILE A 52 166.506 5.604 4.826 1.00 0.00 H new ATOM 0 HB ILE A 52 168.073 7.534 4.741 1.00 0.00 H new ATOM 0 HG12 ILE A 52 166.233 7.206 6.505 1.00 0.00 H new ATOM 0 HG13 ILE A 52 167.021 8.769 6.414 1.00 0.00 H new ATOM 0 HG21 ILE A 52 167.300 9.708 3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 52 167.402 8.489 2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 52 165.819 8.938 3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 52 164.607 9.021 6.713 1.00 0.00 H new ATOM 0 HD12 ILE A 52 165.111 9.672 5.135 1.00 0.00 H new ATOM 0 HD13 ILE A 52 164.311 8.085 5.228 1.00 0.00 H new ATOM 775 N ASN A 53 164.632 6.785 2.448 1.00 0.00 N ATOM 776 CA ASN A 53 163.255 6.982 2.013 1.00 0.00 C ATOM 777 C ASN A 53 162.455 5.686 2.123 1.00 0.00 C ATOM 778 O ASN A 53 161.233 5.711 2.263 1.00 0.00 O ATOM 779 CB ASN A 53 163.222 7.494 0.572 1.00 0.00 C ATOM 780 CG ASN A 53 163.282 9.006 0.494 1.00 0.00 C ATOM 781 OD1 ASN A 53 162.286 9.665 0.195 1.00 0.00 O ATOM 782 ND2 ASN A 53 164.456 9.566 0.762 1.00 0.00 N ATOM 0 H ASN A 53 165.323 6.846 1.701 1.00 0.00 H new ATOM 0 HA ASN A 53 162.798 7.725 2.667 1.00 0.00 H new ATOM 0 HB2 ASN A 53 164.061 7.071 0.020 1.00 0.00 H new ATOM 0 HB3 ASN A 53 162.312 7.144 0.086 1.00 0.00 H new ATOM 0 HD21 ASN A 53 164.558 10.580 0.724 1.00 0.00 H new ATOM 0 HD22 ASN A 53 165.256 8.982 1.006 1.00 0.00 H new ATOM 789 N VAL A 54 163.152 4.554 2.058 1.00 0.00 N ATOM 790 CA VAL A 54 162.503 3.251 2.150 1.00 0.00 C ATOM 791 C VAL A 54 161.757 3.103 3.472 1.00 0.00 C ATOM 792 O VAL A 54 162.250 3.510 4.525 1.00 0.00 O ATOM 793 CB VAL A 54 163.523 2.103 2.016 1.00 0.00 C ATOM 794 CG1 VAL A 54 162.819 0.753 2.031 1.00 0.00 C ATOM 795 CG2 VAL A 54 164.349 2.266 0.748 1.00 0.00 C ATOM 0 H VAL A 54 164.165 4.514 1.942 1.00 0.00 H new ATOM 0 HA VAL A 54 161.793 3.192 1.325 1.00 0.00 H new ATOM 0 HB VAL A 54 164.198 2.143 2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 54 163.557 -0.043 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 54 162.278 0.635 2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 54 162.117 0.699 1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 54 165.063 1.446 0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 54 163.689 2.255 -0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 54 164.887 3.213 0.783 1.00 0.00 H new ATOM 805 N SER A 55 160.566 2.517 3.410 1.00 0.00 N ATOM 806 CA SER A 55 159.750 2.312 4.601 1.00 0.00 C ATOM 807 C SER A 55 159.065 0.950 4.561 1.00 0.00 C ATOM 808 O SER A 55 158.342 0.635 3.617 1.00 0.00 O ATOM 809 CB SER A 55 158.702 3.420 4.724 1.00 0.00 C ATOM 810 OG SER A 55 158.359 3.941 3.451 1.00 0.00 O ATOM 0 H SER A 55 160.144 2.175 2.547 1.00 0.00 H new ATOM 0 HA SER A 55 160.406 2.344 5.471 1.00 0.00 H new ATOM 0 HB2 SER A 55 157.810 3.028 5.213 1.00 0.00 H new ATOM 0 HB3 SER A 55 159.087 4.220 5.356 1.00 0.00 H new ATOM 0 HG SER A 55 157.687 4.646 3.556 1.00 0.00 H new ATOM 816 N GLY A 56 159.299 0.145 5.593 1.00 0.00 N ATOM 817 CA GLY A 56 158.698 -1.174 5.655 1.00 0.00 C ATOM 818 C GLY A 56 159.687 -2.276 5.331 1.00 0.00 C ATOM 819 O GLY A 56 159.306 -3.336 4.835 1.00 0.00 O ATOM 0 H GLY A 56 159.894 0.383 6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 56 158.290 -1.338 6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 56 157.862 -1.223 4.957 1.00 0.00 H new ATOM 823 N CYS A 57 160.962 -2.024 5.612 1.00 0.00 N ATOM 824 CA CYS A 57 162.011 -2.993 5.352 1.00 0.00 C ATOM 825 C CYS A 57 162.972 -3.044 6.531 1.00 0.00 C ATOM 826 O CYS A 57 163.059 -4.049 7.237 1.00 0.00 O ATOM 827 CB CYS A 57 162.765 -2.614 4.080 1.00 0.00 C ATOM 828 SG CYS A 57 162.297 -3.589 2.614 1.00 0.00 S ATOM 0 H CYS A 57 161.291 -1.150 6.022 1.00 0.00 H new ATOM 0 HA CYS A 57 161.562 -3.977 5.218 1.00 0.00 H new ATOM 0 HB2 CYS A 57 162.593 -1.558 3.870 1.00 0.00 H new ATOM 0 HB3 CYS A 57 163.834 -2.734 4.256 1.00 0.00 H new ATOM 833 N SER A 58 163.682 -1.942 6.741 1.00 0.00 N ATOM 834 CA SER A 58 164.632 -1.836 7.840 1.00 0.00 C ATOM 835 C SER A 58 165.792 -2.818 7.683 1.00 0.00 C ATOM 836 O SER A 58 166.564 -3.029 8.618 1.00 0.00 O ATOM 837 CB SER A 58 163.913 -2.071 9.168 1.00 0.00 C ATOM 838 OG SER A 58 164.346 -1.151 10.154 1.00 0.00 O ATOM 0 H SER A 58 163.617 -1.106 6.161 1.00 0.00 H new ATOM 0 HA SER A 58 165.052 -0.830 7.827 1.00 0.00 H new ATOM 0 HB2 SER A 58 162.837 -1.974 9.024 1.00 0.00 H new ATOM 0 HB3 SER A 58 164.099 -3.089 9.510 1.00 0.00 H new ATOM 0 HG SER A 58 163.869 -1.322 10.993 1.00 0.00 H new ATOM 844 N ALA A 59 165.921 -3.405 6.496 1.00 0.00 N ATOM 845 CA ALA A 59 167.000 -4.347 6.226 1.00 0.00 C ATOM 846 C ALA A 59 168.240 -3.617 5.713 1.00 0.00 C ATOM 847 O ALA A 59 169.296 -4.221 5.522 1.00 0.00 O ATOM 848 CB ALA A 59 166.548 -5.396 5.221 1.00 0.00 C ATOM 0 H ALA A 59 165.293 -3.245 5.709 1.00 0.00 H new ATOM 0 HA ALA A 59 167.260 -4.847 7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 59 167.365 -6.092 5.030 1.00 0.00 H new ATOM 0 HB2 ALA A 59 165.694 -5.941 5.623 1.00 0.00 H new ATOM 0 HB3 ALA A 59 166.262 -4.908 4.289 1.00 0.00 H new ATOM 854 N ILE A 60 168.100 -2.312 5.491 1.00 0.00 N ATOM 855 CA ILE A 60 169.190 -1.487 5.000 1.00 0.00 C ATOM 856 C ILE A 60 169.739 -0.580 6.100 1.00 0.00 C ATOM 857 O ILE A 60 170.811 0.006 5.951 1.00 0.00 O ATOM 858 CB ILE A 60 168.731 -0.610 3.820 1.00 0.00 C ATOM 859 CG1 ILE A 60 167.269 -0.188 3.993 1.00 0.00 C ATOM 860 CG2 ILE A 60 168.925 -1.345 2.502 1.00 0.00 C ATOM 861 CD1 ILE A 60 167.026 0.655 5.226 1.00 0.00 C ATOM 0 H ILE A 60 167.230 -1.803 5.647 1.00 0.00 H new ATOM 0 HA ILE A 60 169.976 -2.165 4.667 1.00 0.00 H new ATOM 0 HB ILE A 60 169.344 0.291 3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 60 166.954 0.371 3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 60 166.645 -1.080 4.044 1.00 0.00 H new ATOM 0 HG21 ILE A 60 168.595 -0.710 1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 60 169.980 -1.588 2.373 1.00 0.00 H new ATOM 0 HG23 ILE A 60 168.339 -2.264 2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 60 165.970 0.918 5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 60 167.310 0.091 6.114 1.00 0.00 H new ATOM 0 HD13 ILE A 60 167.623 1.565 5.168 1.00 0.00 H new ATOM 873 N GLU A 61 168.989 -0.461 7.198 1.00 0.00 N ATOM 874 CA GLU A 61 169.386 0.383 8.328 1.00 0.00 C ATOM 875 C GLU A 61 170.889 0.319 8.581 1.00 0.00 C ATOM 876 O GLU A 61 171.550 1.347 8.735 1.00 0.00 O ATOM 877 CB GLU A 61 168.626 -0.036 9.589 1.00 0.00 C ATOM 878 CG GLU A 61 167.466 0.885 9.933 1.00 0.00 C ATOM 879 CD GLU A 61 167.434 1.259 11.402 1.00 0.00 C ATOM 880 OE1 GLU A 61 167.999 0.503 12.220 1.00 0.00 O ATOM 881 OE2 GLU A 61 166.842 2.308 11.735 1.00 0.00 O ATOM 0 H GLU A 61 168.099 -0.941 7.329 1.00 0.00 H new ATOM 0 HA GLU A 61 169.134 1.413 8.076 1.00 0.00 H new ATOM 0 HB2 GLU A 61 168.248 -1.049 9.455 1.00 0.00 H new ATOM 0 HB3 GLU A 61 169.320 -0.063 10.429 1.00 0.00 H new ATOM 0 HG2 GLU A 61 167.537 1.792 9.332 1.00 0.00 H new ATOM 0 HG3 GLU A 61 166.528 0.398 9.665 1.00 0.00 H new ATOM 888 N LYS A 62 171.420 -0.893 8.610 1.00 0.00 N ATOM 889 CA LYS A 62 172.846 -1.097 8.832 1.00 0.00 C ATOM 890 C LYS A 62 173.656 -0.394 7.749 1.00 0.00 C ATOM 891 O LYS A 62 174.596 0.348 8.040 1.00 0.00 O ATOM 892 CB LYS A 62 173.176 -2.591 8.846 1.00 0.00 C ATOM 893 CG LYS A 62 173.117 -3.215 10.231 1.00 0.00 C ATOM 894 CD LYS A 62 173.793 -4.576 10.258 1.00 0.00 C ATOM 895 CE LYS A 62 175.297 -4.455 10.075 1.00 0.00 C ATOM 896 NZ LYS A 62 176.030 -5.556 10.759 1.00 0.00 N ATOM 0 H LYS A 62 170.886 -1.752 8.483 1.00 0.00 H new ATOM 0 HA LYS A 62 173.108 -0.671 9.801 1.00 0.00 H new ATOM 0 HB2 LYS A 62 172.480 -3.114 8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 62 174.174 -2.738 8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 62 173.600 -2.553 10.950 1.00 0.00 H new ATOM 0 HG3 LYS A 62 172.077 -3.318 10.541 1.00 0.00 H new ATOM 0 HD2 LYS A 62 173.579 -5.071 11.206 1.00 0.00 H new ATOM 0 HD3 LYS A 62 173.379 -5.205 9.470 1.00 0.00 H new ATOM 0 HE2 LYS A 62 175.535 -4.466 9.011 1.00 0.00 H new ATOM 0 HE3 LYS A 62 175.634 -3.496 10.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 177.038 -5.309 10.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 175.638 -5.694 11.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 175.927 -6.434 10.211 1.00 0.00 H new ATOM 910 N THR A 63 173.273 -0.624 6.498 1.00 0.00 N ATOM 911 CA THR A 63 173.947 -0.008 5.364 1.00 0.00 C ATOM 912 C THR A 63 173.747 1.503 5.383 1.00 0.00 C ATOM 913 O THR A 63 174.617 2.259 4.958 1.00 0.00 O ATOM 914 CB THR A 63 173.417 -0.597 4.053 1.00 0.00 C ATOM 915 OG1 THR A 63 173.794 -1.956 3.927 1.00 0.00 O ATOM 916 CG2 THR A 63 173.909 0.130 2.820 1.00 0.00 C ATOM 0 H THR A 63 172.497 -1.235 6.244 1.00 0.00 H new ATOM 0 HA THR A 63 175.014 -0.217 5.437 1.00 0.00 H new ATOM 0 HB THR A 63 172.334 -0.487 4.108 1.00 0.00 H new ATOM 0 HG1 THR A 63 173.086 -2.527 4.291 1.00 0.00 H new ATOM 0 HG21 THR A 63 173.494 -0.342 1.929 1.00 0.00 H new ATOM 0 HG22 THR A 63 173.591 1.172 2.861 1.00 0.00 H new ATOM 0 HG23 THR A 63 174.997 0.084 2.781 1.00 0.00 H new ATOM 924 N GLN A 64 172.594 1.937 5.882 1.00 0.00 N ATOM 925 CA GLN A 64 172.284 3.359 5.959 1.00 0.00 C ATOM 926 C GLN A 64 173.311 4.087 6.820 1.00 0.00 C ATOM 927 O GLN A 64 174.048 4.944 6.333 1.00 0.00 O ATOM 928 CB GLN A 64 170.881 3.570 6.532 1.00 0.00 C ATOM 929 CG GLN A 64 169.770 3.074 5.622 1.00 0.00 C ATOM 930 CD GLN A 64 168.393 3.463 6.119 1.00 0.00 C ATOM 931 OE1 GLN A 64 167.426 3.502 5.211 1.00 0.00 O flip ATOM 932 NE2 GLN A 64 168.200 3.726 7.306 1.00 0.00 N flip ATOM 0 H GLN A 64 171.860 1.325 6.238 1.00 0.00 H new ATOM 0 HA GLN A 64 172.319 3.769 4.950 1.00 0.00 H new ATOM 0 HB2 GLN A 64 170.809 3.058 7.491 1.00 0.00 H new ATOM 0 HB3 GLN A 64 170.733 4.632 6.726 1.00 0.00 H new ATOM 0 HG2 GLN A 64 169.918 3.478 4.620 1.00 0.00 H new ATOM 0 HG3 GLN A 64 169.830 1.989 5.540 1.00 0.00 H new ATOM 0 HE21 GLN A 64 168.973 3.683 7.970 1.00 0.00 H new ATOM 0 HE22 GLN A 64 167.267 3.987 7.625 1.00 0.00 H new ATOM 941 N ARG A 65 173.356 3.736 8.103 1.00 0.00 N ATOM 942 CA ARG A 65 174.290 4.349 9.030 1.00 0.00 C ATOM 943 C ARG A 65 175.723 4.218 8.523 1.00 0.00 C ATOM 944 O ARG A 65 176.484 5.188 8.511 1.00 0.00 O ATOM 945 CB ARG A 65 174.165 3.707 10.413 1.00 0.00 C ATOM 946 CG ARG A 65 173.154 4.397 11.315 1.00 0.00 C ATOM 947 CD ARG A 65 173.826 5.400 12.239 1.00 0.00 C ATOM 948 NE ARG A 65 172.897 6.431 12.695 1.00 0.00 N ATOM 949 CZ ARG A 65 173.123 7.221 13.742 1.00 0.00 C ATOM 950 NH1 ARG A 65 174.243 7.101 14.444 1.00 0.00 N ATOM 951 NH2 ARG A 65 172.226 8.134 14.089 1.00 0.00 N ATOM 0 H ARG A 65 172.753 3.028 8.521 1.00 0.00 H new ATOM 0 HA ARG A 65 174.045 5.408 9.106 1.00 0.00 H new ATOM 0 HB2 ARG A 65 173.880 2.662 10.295 1.00 0.00 H new ATOM 0 HB3 ARG A 65 175.140 3.718 10.899 1.00 0.00 H new ATOM 0 HG2 ARG A 65 172.408 4.906 10.705 1.00 0.00 H new ATOM 0 HG3 ARG A 65 172.625 3.651 11.909 1.00 0.00 H new ATOM 0 HD2 ARG A 65 174.240 4.878 13.102 1.00 0.00 H new ATOM 0 HD3 ARG A 65 174.661 5.869 11.719 1.00 0.00 H new ATOM 0 HE ARG A 65 172.024 6.553 12.181 1.00 0.00 H new ATOM 0 HH11 ARG A 65 174.936 6.400 14.182 1.00 0.00 H new ATOM 0 HH12 ARG A 65 174.410 7.709 15.245 1.00 0.00 H new ATOM 0 HH21 ARG A 65 171.363 8.231 13.554 1.00 0.00 H new ATOM 0 HH22 ARG A 65 172.399 8.740 14.891 1.00 0.00 H new ATOM 965 N MET A 66 176.080 3.009 8.100 1.00 0.00 N ATOM 966 CA MET A 66 177.417 2.737 7.583 1.00 0.00 C ATOM 967 C MET A 66 177.768 3.704 6.457 1.00 0.00 C ATOM 968 O MET A 66 178.918 4.118 6.313 1.00 0.00 O ATOM 969 CB MET A 66 177.499 1.294 7.081 1.00 0.00 C ATOM 970 CG MET A 66 178.111 0.335 8.089 1.00 0.00 C ATOM 971 SD MET A 66 179.373 -0.730 7.364 1.00 0.00 S ATOM 972 CE MET A 66 178.451 -2.251 7.149 1.00 0.00 C ATOM 0 H MET A 66 175.459 2.200 8.105 1.00 0.00 H new ATOM 0 HA MET A 66 178.135 2.876 8.391 1.00 0.00 H new ATOM 0 HB2 MET A 66 176.497 0.949 6.825 1.00 0.00 H new ATOM 0 HB3 MET A 66 178.088 1.270 6.164 1.00 0.00 H new ATOM 0 HG2 MET A 66 178.550 0.906 8.907 1.00 0.00 H new ATOM 0 HG3 MET A 66 177.324 -0.284 8.519 1.00 0.00 H new ATOM 0 HE1 MET A 66 179.070 -2.981 6.628 1.00 0.00 H new ATOM 0 HE2 MET A 66 178.168 -2.646 8.125 1.00 0.00 H new ATOM 0 HE3 MET A 66 177.553 -2.053 6.563 1.00 0.00 H new ATOM 982 N LEU A 67 176.764 4.058 5.664 1.00 0.00 N ATOM 983 CA LEU A 67 176.949 4.974 4.550 1.00 0.00 C ATOM 984 C LEU A 67 177.086 6.409 5.046 1.00 0.00 C ATOM 985 O LEU A 67 177.887 7.184 4.523 1.00 0.00 O ATOM 986 CB LEU A 67 175.770 4.863 3.585 1.00 0.00 C ATOM 987 CG LEU A 67 175.819 3.663 2.639 1.00 0.00 C ATOM 988 CD1 LEU A 67 174.541 3.576 1.820 1.00 0.00 C ATOM 989 CD2 LEU A 67 177.033 3.753 1.728 1.00 0.00 C ATOM 0 H LEU A 67 175.808 3.721 5.775 1.00 0.00 H new ATOM 0 HA LEU A 67 177.867 4.703 4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 67 174.849 4.811 4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 67 175.721 5.774 2.989 1.00 0.00 H new ATOM 0 HG LEU A 67 175.905 2.756 3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 67 174.594 2.716 1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 67 173.687 3.464 2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 67 174.424 4.486 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 67 177.052 2.891 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 67 176.978 4.667 1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 67 177.941 3.765 2.331 1.00 0.00 H new ATOM 1001 N SER A 68 176.298 6.757 6.060 1.00 0.00 N ATOM 1002 CA SER A 68 176.332 8.099 6.629 1.00 0.00 C ATOM 1003 C SER A 68 177.733 8.443 7.115 1.00 0.00 C ATOM 1004 O SER A 68 178.232 9.544 6.884 1.00 0.00 O ATOM 1005 CB SER A 68 175.335 8.214 7.784 1.00 0.00 C ATOM 1006 OG SER A 68 175.872 7.673 8.978 1.00 0.00 O ATOM 0 H SER A 68 175.629 6.128 6.504 1.00 0.00 H new ATOM 0 HA SER A 68 176.052 8.806 5.848 1.00 0.00 H new ATOM 0 HB2 SER A 68 175.074 9.261 7.941 1.00 0.00 H new ATOM 0 HB3 SER A 68 174.414 7.691 7.527 1.00 0.00 H new ATOM 0 HG SER A 68 175.772 6.698 8.970 1.00 0.00 H new ATOM 1012 N GLY A 69 178.359 7.488 7.787 1.00 0.00 N ATOM 1013 CA GLY A 69 179.696 7.690 8.301 1.00 0.00 C ATOM 1014 C GLY A 69 180.655 8.227 7.254 1.00 0.00 C ATOM 1015 O GLY A 69 181.647 8.876 7.586 1.00 0.00 O ATOM 0 H GLY A 69 177.960 6.570 7.986 1.00 0.00 H new ATOM 0 HA2 GLY A 69 179.656 8.384 9.141 1.00 0.00 H new ATOM 0 HA3 GLY A 69 180.079 6.745 8.687 1.00 0.00 H new ATOM 1019 N PHE A 70 180.361 7.952 5.986 1.00 0.00 N ATOM 1020 CA PHE A 70 181.206 8.407 4.887 1.00 0.00 C ATOM 1021 C PHE A 70 180.552 9.555 4.121 1.00 0.00 C ATOM 1022 O PHE A 70 181.236 10.349 3.475 1.00 0.00 O ATOM 1023 CB PHE A 70 181.502 7.249 3.933 1.00 0.00 C ATOM 1024 CG PHE A 70 182.676 6.411 4.352 1.00 0.00 C ATOM 1025 CD1 PHE A 70 183.962 6.754 3.967 1.00 0.00 C ATOM 1026 CD2 PHE A 70 182.492 5.280 5.132 1.00 0.00 C ATOM 1027 CE1 PHE A 70 185.043 5.984 4.351 1.00 0.00 C ATOM 1028 CE2 PHE A 70 183.570 4.506 5.519 1.00 0.00 C ATOM 1029 CZ PHE A 70 184.847 4.859 5.128 1.00 0.00 C ATOM 0 H PHE A 70 179.544 7.416 5.695 1.00 0.00 H new ATOM 0 HA PHE A 70 182.140 8.771 5.314 1.00 0.00 H new ATOM 0 HB2 PHE A 70 180.619 6.613 3.861 1.00 0.00 H new ATOM 0 HB3 PHE A 70 181.689 7.649 2.936 1.00 0.00 H new ATOM 0 HD1 PHE A 70 184.121 7.633 3.360 1.00 0.00 H new ATOM 0 HD2 PHE A 70 181.496 5.000 5.441 1.00 0.00 H new ATOM 0 HE1 PHE A 70 186.041 6.262 4.044 1.00 0.00 H new ATOM 0 HE2 PHE A 70 183.414 3.627 6.126 1.00 0.00 H new ATOM 0 HZ PHE A 70 185.691 4.256 5.429 1.00 0.00 H new ATOM 1039 N CYS A 71 179.225 9.640 4.193 1.00 0.00 N ATOM 1040 CA CYS A 71 178.485 10.693 3.500 1.00 0.00 C ATOM 1041 C CYS A 71 179.096 12.068 3.787 1.00 0.00 C ATOM 1042 O CYS A 71 179.137 12.507 4.936 1.00 0.00 O ATOM 1043 CB CYS A 71 177.006 10.663 3.919 1.00 0.00 C ATOM 1044 SG CYS A 71 176.142 12.270 3.819 1.00 0.00 S ATOM 0 H CYS A 71 178.641 8.994 4.723 1.00 0.00 H new ATOM 0 HA CYS A 71 178.550 10.512 2.427 1.00 0.00 H new ATOM 0 HB2 CYS A 71 176.480 9.945 3.290 1.00 0.00 H new ATOM 0 HB3 CYS A 71 176.942 10.296 4.943 1.00 0.00 H new ATOM 1049 N PRO A 72 179.580 12.768 2.744 1.00 0.00 N ATOM 1050 CA PRO A 72 180.189 14.091 2.898 1.00 0.00 C ATOM 1051 C PRO A 72 179.152 15.209 2.995 1.00 0.00 C ATOM 1052 O PRO A 72 179.232 16.205 2.276 1.00 0.00 O ATOM 1053 CB PRO A 72 181.007 14.234 1.618 1.00 0.00 C ATOM 1054 CG PRO A 72 180.238 13.466 0.598 1.00 0.00 C ATOM 1055 CD PRO A 72 179.582 12.323 1.333 1.00 0.00 C ATOM 0 HA PRO A 72 180.771 14.172 3.816 1.00 0.00 H new ATOM 0 HB2 PRO A 72 181.114 15.280 1.330 1.00 0.00 H new ATOM 0 HB3 PRO A 72 182.013 13.833 1.742 1.00 0.00 H new ATOM 0 HG2 PRO A 72 179.492 14.098 0.117 1.00 0.00 H new ATOM 0 HG3 PRO A 72 180.897 13.096 -0.188 1.00 0.00 H new ATOM 0 HD2 PRO A 72 178.571 12.141 0.969 1.00 0.00 H new ATOM 0 HD3 PRO A 72 180.138 11.394 1.207 1.00 0.00 H new ATOM 1063 N HIS A 73 178.178 15.041 3.889 1.00 0.00 N ATOM 1064 CA HIS A 73 177.127 16.040 4.078 1.00 0.00 C ATOM 1065 C HIS A 73 176.026 15.506 4.993 1.00 0.00 C ATOM 1066 O HIS A 73 176.209 14.501 5.679 1.00 0.00 O ATOM 1067 CB HIS A 73 176.531 16.453 2.726 1.00 0.00 C ATOM 1068 CG HIS A 73 176.694 17.910 2.422 1.00 0.00 C ATOM 1069 ND1 HIS A 73 177.134 18.380 1.202 1.00 0.00 N ATOM 1070 CD2 HIS A 73 176.473 19.006 3.187 1.00 0.00 C ATOM 1071 CE1 HIS A 73 177.178 19.700 1.230 1.00 0.00 C ATOM 1072 NE2 HIS A 73 176.781 20.104 2.422 1.00 0.00 N ATOM 0 H HIS A 73 178.095 14.223 4.493 1.00 0.00 H new ATOM 0 HA HIS A 73 177.574 16.915 4.550 1.00 0.00 H new ATOM 0 HB2 HIS A 73 177.004 15.870 1.936 1.00 0.00 H new ATOM 0 HB3 HIS A 73 175.470 16.204 2.714 1.00 0.00 H new ATOM 0 HD2 HIS A 73 176.120 19.015 4.208 1.00 0.00 H new ATOM 0 HE1 HIS A 73 177.486 20.340 0.416 1.00 0.00 H new ATOM 0 HE2 HIS A 73 176.714 21.075 2.726 1.00 0.00 H new ATOM 1081 N LYS A 74 174.882 16.184 4.994 1.00 0.00 N ATOM 1082 CA LYS A 74 173.749 15.778 5.818 1.00 0.00 C ATOM 1083 C LYS A 74 172.571 15.360 4.943 1.00 0.00 C ATOM 1084 O LYS A 74 172.354 15.926 3.871 1.00 0.00 O ATOM 1085 CB LYS A 74 173.331 16.919 6.748 1.00 0.00 C ATOM 1086 CG LYS A 74 172.830 16.447 8.103 1.00 0.00 C ATOM 1087 CD LYS A 74 173.939 15.789 8.908 1.00 0.00 C ATOM 1088 CE LYS A 74 173.710 15.944 10.402 1.00 0.00 C ATOM 1089 NZ LYS A 74 174.828 15.367 11.199 1.00 0.00 N ATOM 0 H LYS A 74 174.715 17.019 4.432 1.00 0.00 H new ATOM 0 HA LYS A 74 174.055 14.924 6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 74 174.181 17.586 6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 74 172.548 17.503 6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 74 172.429 17.294 8.659 1.00 0.00 H new ATOM 0 HG3 LYS A 74 172.012 15.741 7.964 1.00 0.00 H new ATOM 0 HD2 LYS A 74 173.994 14.730 8.655 1.00 0.00 H new ATOM 0 HD3 LYS A 74 174.898 16.232 8.638 1.00 0.00 H new ATOM 0 HE2 LYS A 74 173.599 17.001 10.644 1.00 0.00 H new ATOM 0 HE3 LYS A 74 172.776 15.454 10.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 174.633 15.493 12.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 174.918 14.353 10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 175.715 15.852 10.954 1.00 0.00 H new ATOM 1103 N VAL A 75 171.812 14.370 5.403 1.00 0.00 N ATOM 1104 CA VAL A 75 170.662 13.887 4.659 1.00 0.00 C ATOM 1105 C VAL A 75 169.786 12.990 5.527 1.00 0.00 C ATOM 1106 O VAL A 75 170.056 11.800 5.686 1.00 0.00 O ATOM 1107 CB VAL A 75 171.088 13.119 3.392 1.00 0.00 C ATOM 1108 CG1 VAL A 75 171.911 11.891 3.752 1.00 0.00 C ATOM 1109 CG2 VAL A 75 169.869 12.734 2.566 1.00 0.00 C ATOM 0 H VAL A 75 171.976 13.889 6.288 1.00 0.00 H new ATOM 0 HA VAL A 75 170.088 14.763 4.357 1.00 0.00 H new ATOM 0 HB VAL A 75 171.715 13.776 2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 75 172.199 11.366 2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 75 172.806 12.199 4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 75 171.318 11.227 4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 75 170.189 12.193 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 75 169.213 12.099 3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 75 169.331 13.635 2.269 1.00 0.00 H new ATOM 1119 N SER A 76 168.733 13.570 6.079 1.00 0.00 N ATOM 1120 CA SER A 76 167.813 12.879 6.904 1.00 0.00 C ATOM 1121 C SER A 76 166.633 12.436 6.080 1.00 0.00 C ATOM 1122 O SER A 76 166.757 11.919 4.969 1.00 0.00 O ATOM 1123 CB SER A 76 167.397 13.824 8.037 1.00 0.00 C ATOM 1124 OG SER A 76 166.481 14.804 7.580 1.00 0.00 O ATOM 0 H SER A 76 168.508 14.556 5.950 1.00 0.00 H new ATOM 0 HA SER A 76 168.261 11.984 7.336 1.00 0.00 H new ATOM 0 HB2 SER A 76 166.945 13.249 8.845 1.00 0.00 H new ATOM 0 HB3 SER A 76 168.280 14.313 8.449 1.00 0.00 H new ATOM 0 HG SER A 76 165.737 14.877 8.214 1.00 0.00 H new ATOM 1130 N ALA A 77 165.517 12.654 6.661 1.00 0.00 N ATOM 1131 CA ALA A 77 164.227 12.314 6.074 1.00 0.00 C ATOM 1132 C ALA A 77 163.666 13.478 5.264 1.00 0.00 C ATOM 1133 O ALA A 77 162.889 14.286 5.774 1.00 0.00 O ATOM 1134 CB ALA A 77 163.244 11.900 7.159 1.00 0.00 C ATOM 0 H ALA A 77 165.445 13.084 7.583 1.00 0.00 H new ATOM 0 HA ALA A 77 164.376 11.474 5.396 1.00 0.00 H new ATOM 0 HB1 ALA A 77 162.285 11.649 6.705 1.00 0.00 H new ATOM 0 HB2 ALA A 77 163.633 11.031 7.690 1.00 0.00 H new ATOM 0 HB3 ALA A 77 163.109 12.723 7.861 1.00 0.00 H new ATOM 1295 N THR A 88 167.450 10.268 -12.867 1.00 0.00 N ATOM 1296 CA THR A 88 167.015 8.944 -13.297 1.00 0.00 C ATOM 1297 C THR A 88 166.753 8.041 -12.096 1.00 0.00 C ATOM 1298 O THR A 88 167.375 8.194 -11.044 1.00 0.00 O ATOM 1299 CB THR A 88 168.068 8.309 -14.206 1.00 0.00 C ATOM 1300 OG1 THR A 88 168.812 9.306 -14.885 1.00 0.00 O ATOM 1301 CG2 THR A 88 167.478 7.386 -15.250 1.00 0.00 C ATOM 0 HA THR A 88 166.085 9.058 -13.854 1.00 0.00 H new ATOM 0 HB THR A 88 168.706 7.723 -13.544 1.00 0.00 H new ATOM 0 HG1 THR A 88 168.741 10.155 -14.400 1.00 0.00 H new ATOM 0 HG21 THR A 88 168.278 6.969 -15.861 1.00 0.00 H new ATOM 0 HG22 THR A 88 166.939 6.577 -14.757 1.00 0.00 H new ATOM 0 HG23 THR A 88 166.791 7.946 -15.885 1.00 0.00 H new ATOM 1309 N LYS A 89 165.828 7.100 -12.259 1.00 0.00 N ATOM 1310 CA LYS A 89 165.484 6.172 -11.188 1.00 0.00 C ATOM 1311 C LYS A 89 165.875 4.745 -11.559 1.00 0.00 C ATOM 1312 O LYS A 89 166.112 4.440 -12.728 1.00 0.00 O ATOM 1313 CB LYS A 89 163.985 6.243 -10.889 1.00 0.00 C ATOM 1314 CG LYS A 89 163.638 7.172 -9.736 1.00 0.00 C ATOM 1315 CD LYS A 89 163.019 8.470 -10.231 1.00 0.00 C ATOM 1316 CE LYS A 89 162.490 9.309 -9.079 1.00 0.00 C ATOM 1317 NZ LYS A 89 161.244 8.734 -8.499 1.00 0.00 N ATOM 0 H LYS A 89 165.303 6.960 -13.123 1.00 0.00 H new ATOM 0 HA LYS A 89 166.040 6.460 -10.296 1.00 0.00 H new ATOM 0 HB2 LYS A 89 163.460 6.576 -11.784 1.00 0.00 H new ATOM 0 HB3 LYS A 89 163.621 5.241 -10.660 1.00 0.00 H new ATOM 0 HG2 LYS A 89 162.944 6.671 -9.061 1.00 0.00 H new ATOM 0 HG3 LYS A 89 164.538 7.393 -9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 89 163.763 9.041 -10.787 1.00 0.00 H new ATOM 0 HD3 LYS A 89 162.207 8.247 -10.923 1.00 0.00 H new ATOM 0 HE2 LYS A 89 163.252 9.381 -8.303 1.00 0.00 H new ATOM 0 HE3 LYS A 89 162.294 10.323 -9.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 160.823 9.416 -7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 160.568 8.531 -9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 161.470 7.854 -7.993 1.00 0.00 H new ATOM 1331 N ILE A 90 165.940 3.872 -10.557 1.00 0.00 N ATOM 1332 CA ILE A 90 166.302 2.478 -10.783 1.00 0.00 C ATOM 1333 C ILE A 90 165.467 1.544 -9.911 1.00 0.00 C ATOM 1334 O ILE A 90 164.751 1.990 -9.014 1.00 0.00 O ATOM 1335 CB ILE A 90 167.806 2.235 -10.518 1.00 0.00 C ATOM 1336 CG1 ILE A 90 168.101 2.172 -9.017 1.00 0.00 C ATOM 1337 CG2 ILE A 90 168.639 3.330 -11.163 1.00 0.00 C ATOM 1338 CD1 ILE A 90 169.563 1.945 -8.703 1.00 0.00 C ATOM 0 H ILE A 90 165.747 4.106 -9.583 1.00 0.00 H new ATOM 0 HA ILE A 90 166.095 2.260 -11.831 1.00 0.00 H new ATOM 0 HB ILE A 90 168.072 1.275 -10.959 1.00 0.00 H new ATOM 0 HG12 ILE A 90 167.777 3.102 -8.551 1.00 0.00 H new ATOM 0 HG13 ILE A 90 167.512 1.370 -8.572 1.00 0.00 H new ATOM 0 HG21 ILE A 90 169.696 3.146 -10.968 1.00 0.00 H new ATOM 0 HG22 ILE A 90 168.464 3.335 -12.239 1.00 0.00 H new ATOM 0 HG23 ILE A 90 168.356 4.296 -10.745 1.00 0.00 H new ATOM 0 HD11 ILE A 90 169.702 1.911 -7.622 1.00 0.00 H new ATOM 0 HD12 ILE A 90 169.887 1.001 -9.141 1.00 0.00 H new ATOM 0 HD13 ILE A 90 170.155 2.760 -9.119 1.00 0.00 H new ATOM 1350 N GLU A 91 165.562 0.246 -10.180 1.00 0.00 N ATOM 1351 CA GLU A 91 164.814 -0.750 -9.420 1.00 0.00 C ATOM 1352 C GLU A 91 165.457 -0.995 -8.058 1.00 0.00 C ATOM 1353 O GLU A 91 166.679 -1.077 -7.943 1.00 0.00 O ATOM 1354 CB GLU A 91 164.733 -2.063 -10.202 1.00 0.00 C ATOM 1355 CG GLU A 91 163.526 -2.150 -11.121 1.00 0.00 C ATOM 1356 CD GLU A 91 162.318 -2.761 -10.440 1.00 0.00 C ATOM 1357 OE1 GLU A 91 162.487 -3.766 -9.718 1.00 0.00 O ATOM 1358 OE2 GLU A 91 161.201 -2.234 -10.627 1.00 0.00 O ATOM 0 H GLU A 91 166.149 -0.141 -10.918 1.00 0.00 H new ATOM 0 HA GLU A 91 163.806 -0.366 -9.261 1.00 0.00 H new ATOM 0 HB2 GLU A 91 165.640 -2.179 -10.795 1.00 0.00 H new ATOM 0 HB3 GLU A 91 164.704 -2.894 -9.498 1.00 0.00 H new ATOM 0 HG2 GLU A 91 163.272 -1.151 -11.476 1.00 0.00 H new ATOM 0 HG3 GLU A 91 163.784 -2.744 -11.998 1.00 0.00 H new ATOM 1365 N VAL A 92 164.622 -1.108 -7.027 1.00 0.00 N ATOM 1366 CA VAL A 92 165.109 -1.342 -5.665 1.00 0.00 C ATOM 1367 C VAL A 92 166.115 -2.490 -5.626 1.00 0.00 C ATOM 1368 O VAL A 92 167.185 -2.366 -5.032 1.00 0.00 O ATOM 1369 CB VAL A 92 163.963 -1.645 -4.664 1.00 0.00 C ATOM 1370 CG1 VAL A 92 163.835 -0.522 -3.645 1.00 0.00 C ATOM 1371 CG2 VAL A 92 162.637 -1.871 -5.378 1.00 0.00 C ATOM 0 H VAL A 92 163.607 -1.042 -7.106 1.00 0.00 H new ATOM 0 HA VAL A 92 165.594 -0.415 -5.360 1.00 0.00 H new ATOM 0 HB VAL A 92 164.217 -2.567 -4.142 1.00 0.00 H new ATOM 0 HG11 VAL A 92 163.026 -0.751 -2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 92 164.770 -0.423 -3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 92 163.617 0.414 -4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 92 161.859 -2.080 -4.644 1.00 0.00 H new ATOM 0 HG22 VAL A 92 162.371 -0.978 -5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 92 162.730 -2.717 -6.059 1.00 0.00 H new ATOM 1381 N ALA A 93 165.770 -3.606 -6.264 1.00 0.00 N ATOM 1382 CA ALA A 93 166.656 -4.766 -6.298 1.00 0.00 C ATOM 1383 C ALA A 93 168.005 -4.393 -6.903 1.00 0.00 C ATOM 1384 O ALA A 93 169.053 -4.553 -6.271 1.00 0.00 O ATOM 1385 CB ALA A 93 166.014 -5.899 -7.085 1.00 0.00 C ATOM 0 H ALA A 93 164.888 -3.731 -6.762 1.00 0.00 H new ATOM 0 HA ALA A 93 166.821 -5.104 -5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 93 166.686 -6.757 -7.102 1.00 0.00 H new ATOM 0 HB2 ALA A 93 165.074 -6.184 -6.612 1.00 0.00 H new ATOM 0 HB3 ALA A 93 165.821 -5.569 -8.106 1.00 0.00 H new ATOM 1391 N GLN A 94 167.968 -3.878 -8.128 1.00 0.00 N ATOM 1392 CA GLN A 94 169.181 -3.463 -8.819 1.00 0.00 C ATOM 1393 C GLN A 94 169.906 -2.393 -8.011 1.00 0.00 C ATOM 1394 O GLN A 94 171.130 -2.274 -8.072 1.00 0.00 O ATOM 1395 CB GLN A 94 168.840 -2.929 -10.212 1.00 0.00 C ATOM 1396 CG GLN A 94 169.636 -3.586 -11.326 1.00 0.00 C ATOM 1397 CD GLN A 94 171.042 -3.029 -11.445 1.00 0.00 C ATOM 1398 OE1 GLN A 94 171.900 -3.379 -10.495 1.00 0.00 O flip ATOM 1399 NE2 GLN A 94 171.353 -2.292 -12.381 1.00 0.00 N flip ATOM 0 H GLN A 94 167.110 -3.739 -8.662 1.00 0.00 H new ATOM 0 HA GLN A 94 169.836 -4.328 -8.925 1.00 0.00 H new ATOM 0 HB2 GLN A 94 167.777 -3.079 -10.399 1.00 0.00 H new ATOM 0 HB3 GLN A 94 169.019 -1.854 -10.234 1.00 0.00 H new ATOM 0 HG2 GLN A 94 169.689 -4.660 -11.145 1.00 0.00 H new ATOM 0 HG3 GLN A 94 169.113 -3.447 -12.272 1.00 0.00 H new ATOM 0 HE21 GLN A 94 170.661 -2.048 -13.090 1.00 0.00 H new ATOM 0 HE22 GLN A 94 172.302 -1.925 -12.448 1.00 0.00 H new ATOM 1408 N PHE A 95 169.138 -1.618 -7.250 1.00 0.00 N ATOM 1409 CA PHE A 95 169.699 -0.560 -6.424 1.00 0.00 C ATOM 1410 C PHE A 95 170.532 -1.143 -5.293 1.00 0.00 C ATOM 1411 O PHE A 95 171.578 -0.604 -4.937 1.00 0.00 O ATOM 1412 CB PHE A 95 168.585 0.317 -5.852 1.00 0.00 C ATOM 1413 CG PHE A 95 169.095 1.458 -5.023 1.00 0.00 C ATOM 1414 CD1 PHE A 95 169.529 1.250 -3.724 1.00 0.00 C ATOM 1415 CD2 PHE A 95 169.145 2.738 -5.545 1.00 0.00 C ATOM 1416 CE1 PHE A 95 170.002 2.300 -2.962 1.00 0.00 C ATOM 1417 CE2 PHE A 95 169.617 3.790 -4.790 1.00 0.00 C ATOM 1418 CZ PHE A 95 170.046 3.572 -3.496 1.00 0.00 C ATOM 0 H PHE A 95 168.124 -1.705 -7.190 1.00 0.00 H new ATOM 0 HA PHE A 95 170.346 0.053 -7.052 1.00 0.00 H new ATOM 0 HB2 PHE A 95 167.986 0.712 -6.672 1.00 0.00 H new ATOM 0 HB3 PHE A 95 167.924 -0.299 -5.242 1.00 0.00 H new ATOM 0 HD1 PHE A 95 169.497 0.256 -3.303 1.00 0.00 H new ATOM 0 HD2 PHE A 95 168.810 2.915 -6.556 1.00 0.00 H new ATOM 0 HE1 PHE A 95 170.337 2.126 -1.950 1.00 0.00 H new ATOM 0 HE2 PHE A 95 169.651 4.784 -5.210 1.00 0.00 H new ATOM 0 HZ PHE A 95 170.415 4.395 -2.903 1.00 0.00 H new ATOM 1428 N VAL A 96 170.063 -2.252 -4.738 1.00 0.00 N ATOM 1429 CA VAL A 96 170.769 -2.919 -3.654 1.00 0.00 C ATOM 1430 C VAL A 96 172.066 -3.530 -4.170 1.00 0.00 C ATOM 1431 O VAL A 96 173.151 -3.257 -3.654 1.00 0.00 O ATOM 1432 CB VAL A 96 169.900 -4.020 -3.018 1.00 0.00 C ATOM 1433 CG1 VAL A 96 170.567 -4.569 -1.770 1.00 0.00 C ATOM 1434 CG2 VAL A 96 168.510 -3.485 -2.697 1.00 0.00 C ATOM 0 H VAL A 96 169.196 -2.709 -5.021 1.00 0.00 H new ATOM 0 HA VAL A 96 170.994 -2.172 -2.893 1.00 0.00 H new ATOM 0 HB VAL A 96 169.794 -4.834 -3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 96 169.939 -5.346 -1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 96 171.537 -4.991 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 96 170.704 -3.765 -1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 96 167.910 -4.277 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 96 168.593 -2.652 -1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 96 168.031 -3.143 -3.614 1.00 0.00 H new ATOM 1444 N LYS A 97 171.946 -4.350 -5.206 1.00 0.00 N ATOM 1445 CA LYS A 97 173.106 -4.991 -5.813 1.00 0.00 C ATOM 1446 C LYS A 97 174.149 -3.951 -6.227 1.00 0.00 C ATOM 1447 O LYS A 97 175.342 -4.117 -5.967 1.00 0.00 O ATOM 1448 CB LYS A 97 172.681 -5.816 -7.030 1.00 0.00 C ATOM 1449 CG LYS A 97 171.669 -6.903 -6.704 1.00 0.00 C ATOM 1450 CD LYS A 97 170.509 -6.901 -7.688 1.00 0.00 C ATOM 1451 CE LYS A 97 169.424 -7.881 -7.272 1.00 0.00 C ATOM 1452 NZ LYS A 97 168.718 -8.460 -8.448 1.00 0.00 N ATOM 0 H LYS A 97 171.056 -4.587 -5.644 1.00 0.00 H new ATOM 0 HA LYS A 97 173.553 -5.653 -5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 97 172.257 -5.149 -7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 97 173.564 -6.275 -7.474 1.00 0.00 H new ATOM 0 HG2 LYS A 97 172.160 -7.876 -6.722 1.00 0.00 H new ATOM 0 HG3 LYS A 97 171.289 -6.756 -5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 97 170.088 -5.898 -7.754 1.00 0.00 H new ATOM 0 HD3 LYS A 97 170.873 -7.160 -8.682 1.00 0.00 H new ATOM 0 HE2 LYS A 97 169.867 -8.684 -6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 97 168.704 -7.374 -6.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 167.986 -9.123 -8.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 168.274 -7.696 -8.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 169.400 -8.966 -9.048 1.00 0.00 H new ATOM 1466 N ASP A 98 173.698 -2.875 -6.872 1.00 0.00 N ATOM 1467 CA ASP A 98 174.611 -1.822 -7.308 1.00 0.00 C ATOM 1468 C ASP A 98 175.253 -1.163 -6.116 1.00 0.00 C ATOM 1469 O ASP A 98 176.457 -0.893 -6.084 1.00 0.00 O ATOM 1470 CB ASP A 98 173.888 -0.790 -8.176 1.00 0.00 C ATOM 1471 CG ASP A 98 174.061 -1.059 -9.658 1.00 0.00 C ATOM 1472 OD1 ASP A 98 175.091 -1.654 -10.037 1.00 0.00 O ATOM 1473 OD2 ASP A 98 173.165 -0.675 -10.439 1.00 0.00 O ATOM 0 H ASP A 98 172.718 -2.712 -7.101 1.00 0.00 H new ATOM 0 HA ASP A 98 175.392 -2.277 -7.917 1.00 0.00 H new ATOM 0 HB2 ASP A 98 172.826 -0.793 -7.930 1.00 0.00 H new ATOM 0 HB3 ASP A 98 174.266 0.205 -7.943 1.00 0.00 H new ATOM 1478 N LEU A 99 174.441 -0.953 -5.125 1.00 0.00 N ATOM 1479 CA LEU A 99 174.876 -0.381 -3.880 1.00 0.00 C ATOM 1480 C LEU A 99 176.068 -1.183 -3.360 1.00 0.00 C ATOM 1481 O LEU A 99 177.032 -0.627 -2.836 1.00 0.00 O ATOM 1482 CB LEU A 99 173.679 -0.456 -2.953 1.00 0.00 C ATOM 1483 CG LEU A 99 173.942 -0.823 -1.488 1.00 0.00 C ATOM 1484 CD1 LEU A 99 174.043 0.433 -0.638 1.00 0.00 C ATOM 1485 CD2 LEU A 99 172.841 -1.733 -0.964 1.00 0.00 C ATOM 0 H LEU A 99 173.446 -1.175 -5.155 1.00 0.00 H new ATOM 0 HA LEU A 99 175.208 0.653 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 99 173.177 0.511 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 99 172.981 -1.186 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 99 174.890 -1.358 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 99 174.230 0.156 0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 99 174.862 1.053 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 99 173.109 0.992 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 99 173.042 -1.985 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 99 171.881 -1.221 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 99 172.810 -2.646 -1.559 1.00 0.00 H new ATOM 1497 N LEU A 100 175.991 -2.501 -3.552 1.00 0.00 N ATOM 1498 CA LEU A 100 177.058 -3.412 -3.150 1.00 0.00 C ATOM 1499 C LEU A 100 178.248 -3.254 -4.089 1.00 0.00 C ATOM 1500 O LEU A 100 179.400 -3.388 -3.683 1.00 0.00 O ATOM 1501 CB LEU A 100 176.552 -4.860 -3.175 1.00 0.00 C ATOM 1502 CG LEU A 100 177.637 -5.944 -3.165 1.00 0.00 C ATOM 1503 CD1 LEU A 100 178.630 -5.713 -2.035 1.00 0.00 C ATOM 1504 CD2 LEU A 100 177.008 -7.323 -3.045 1.00 0.00 C ATOM 0 H LEU A 100 175.192 -2.962 -3.988 1.00 0.00 H new ATOM 0 HA LEU A 100 177.371 -3.170 -2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 100 175.903 -5.014 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 100 175.937 -4.995 -4.065 1.00 0.00 H new ATOM 0 HG LEU A 100 178.180 -5.888 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 100 179.388 -6.496 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 100 179.108 -4.742 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 100 178.106 -5.735 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 100 177.791 -8.081 -3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 100 176.438 -7.383 -2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 100 176.343 -7.495 -3.892 1.00 0.00 H new ATOM 1516 N LEU A 101 177.949 -2.961 -5.348 1.00 0.00 N ATOM 1517 CA LEU A 101 178.975 -2.768 -6.366 1.00 0.00 C ATOM 1518 C LEU A 101 179.983 -1.718 -5.929 1.00 0.00 C ATOM 1519 O LEU A 101 181.180 -1.984 -5.786 1.00 0.00 O ATOM 1520 CB LEU A 101 178.311 -2.316 -7.672 1.00 0.00 C ATOM 1521 CG LEU A 101 179.247 -1.948 -8.830 1.00 0.00 C ATOM 1522 CD1 LEU A 101 179.404 -0.435 -8.921 1.00 0.00 C ATOM 1523 CD2 LEU A 101 180.605 -2.617 -8.679 1.00 0.00 C ATOM 0 H LEU A 101 176.995 -2.851 -5.691 1.00 0.00 H new ATOM 0 HA LEU A 101 179.499 -3.712 -6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 101 177.648 -3.113 -8.010 1.00 0.00 H new ATOM 0 HB3 LEU A 101 177.684 -1.451 -7.453 1.00 0.00 H new ATOM 0 HG LEU A 101 178.799 -2.312 -9.754 1.00 0.00 H new ATOM 0 HD11 LEU A 101 180.071 -0.187 -9.747 1.00 0.00 H new ATOM 0 HD12 LEU A 101 178.429 0.022 -9.092 1.00 0.00 H new ATOM 0 HD13 LEU A 101 179.824 -0.056 -7.989 1.00 0.00 H new ATOM 0 HD21 LEU A 101 181.244 -2.336 -9.516 1.00 0.00 H new ATOM 0 HD22 LEU A 101 181.067 -2.296 -7.745 1.00 0.00 H new ATOM 0 HD23 LEU A 101 180.478 -3.700 -8.667 1.00 0.00 H new ATOM 1535 N HIS A 102 179.478 -0.517 -5.738 1.00 0.00 N ATOM 1536 CA HIS A 102 180.307 0.610 -5.339 1.00 0.00 C ATOM 1537 C HIS A 102 180.816 0.470 -3.907 1.00 0.00 C ATOM 1538 O HIS A 102 181.987 0.720 -3.636 1.00 0.00 O ATOM 1539 CB HIS A 102 179.526 1.914 -5.493 1.00 0.00 C ATOM 1540 CG HIS A 102 180.406 3.116 -5.587 1.00 0.00 C ATOM 1541 ND1 HIS A 102 180.180 4.107 -6.509 1.00 0.00 N ATOM 1542 CD2 HIS A 102 181.498 3.426 -4.859 1.00 0.00 C ATOM 1543 CE1 HIS A 102 181.138 4.996 -6.322 1.00 0.00 C ATOM 1544 NE2 HIS A 102 181.963 4.627 -5.331 1.00 0.00 N ATOM 0 H HIS A 102 178.490 -0.292 -5.853 1.00 0.00 H new ATOM 0 HA HIS A 102 181.177 0.625 -5.995 1.00 0.00 H new ATOM 0 HB2 HIS A 102 178.905 1.855 -6.387 1.00 0.00 H new ATOM 0 HB3 HIS A 102 178.853 2.030 -4.644 1.00 0.00 H new ATOM 0 HD2 HIS A 102 181.925 2.841 -4.058 1.00 0.00 H new ATOM 0 HE1 HIS A 102 181.244 5.906 -6.895 1.00 0.00 H new ATOM 0 HE2 HIS A 102 182.778 5.140 -4.994 1.00 0.00 H new ATOM 1552 N LEU A 103 179.938 0.085 -2.989 1.00 0.00 N ATOM 1553 CA LEU A 103 180.325 -0.063 -1.591 1.00 0.00 C ATOM 1554 C LEU A 103 181.519 -1.001 -1.432 1.00 0.00 C ATOM 1555 O LEU A 103 182.472 -0.685 -0.719 1.00 0.00 O ATOM 1556 CB LEU A 103 179.145 -0.568 -0.767 1.00 0.00 C ATOM 1557 CG LEU A 103 178.241 0.531 -0.210 1.00 0.00 C ATOM 1558 CD1 LEU A 103 176.913 -0.049 0.241 1.00 0.00 C ATOM 1559 CD2 LEU A 103 178.930 1.257 0.936 1.00 0.00 C ATOM 0 H LEU A 103 178.960 -0.129 -3.185 1.00 0.00 H new ATOM 0 HA LEU A 103 180.624 0.919 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 103 178.545 -1.235 -1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 103 179.526 -1.162 0.063 1.00 0.00 H new ATOM 0 HG LEU A 103 178.045 1.253 -1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 103 176.283 0.748 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 103 176.415 -0.520 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 103 177.086 -0.792 1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 103 178.272 2.036 1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 103 179.157 0.548 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 103 179.855 1.708 0.577 1.00 0.00 H new ATOM 1571 N LYS A 104 181.468 -2.152 -2.094 1.00 0.00 N ATOM 1572 CA LYS A 104 182.554 -3.120 -2.011 1.00 0.00 C ATOM 1573 C LYS A 104 183.801 -2.601 -2.719 1.00 0.00 C ATOM 1574 O LYS A 104 184.903 -2.693 -2.186 1.00 0.00 O ATOM 1575 CB LYS A 104 182.128 -4.465 -2.604 1.00 0.00 C ATOM 1576 CG LYS A 104 181.975 -4.449 -4.116 1.00 0.00 C ATOM 1577 CD LYS A 104 181.090 -5.584 -4.604 1.00 0.00 C ATOM 1578 CE LYS A 104 181.597 -6.937 -4.131 1.00 0.00 C ATOM 1579 NZ LYS A 104 182.892 -7.300 -4.769 1.00 0.00 N ATOM 0 H LYS A 104 180.691 -2.436 -2.691 1.00 0.00 H new ATOM 0 HA LYS A 104 182.793 -3.266 -0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 104 182.864 -5.221 -2.331 1.00 0.00 H new ATOM 0 HB3 LYS A 104 181.181 -4.765 -2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 104 181.549 -3.496 -4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 104 182.957 -4.527 -4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 104 180.072 -5.431 -4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 104 181.050 -5.571 -5.693 1.00 0.00 H new ATOM 0 HE2 LYS A 104 181.718 -6.921 -3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 104 180.854 -7.702 -4.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 183.203 -8.229 -4.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 182.771 -7.341 -5.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 183.608 -6.584 -4.533 1.00 0.00 H new ATOM 1593 N LYS A 105 183.630 -2.060 -3.923 1.00 0.00 N ATOM 1594 CA LYS A 105 184.755 -1.538 -4.680 1.00 0.00 C ATOM 1595 C LYS A 105 185.492 -0.439 -3.912 1.00 0.00 C ATOM 1596 O LYS A 105 186.689 -0.231 -4.108 1.00 0.00 O ATOM 1597 CB LYS A 105 184.267 -1.012 -6.029 1.00 0.00 C ATOM 1598 CG LYS A 105 184.749 -1.854 -7.192 1.00 0.00 C ATOM 1599 CD LYS A 105 183.636 -2.129 -8.185 1.00 0.00 C ATOM 1600 CE LYS A 105 184.169 -2.757 -9.462 1.00 0.00 C ATOM 1601 NZ LYS A 105 184.844 -1.757 -10.334 1.00 0.00 N ATOM 0 H LYS A 105 182.727 -1.974 -4.390 1.00 0.00 H new ATOM 0 HA LYS A 105 185.463 -2.351 -4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 105 183.177 -0.985 -6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 105 184.611 0.014 -6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 105 185.569 -1.342 -7.697 1.00 0.00 H new ATOM 0 HG3 LYS A 105 185.145 -2.798 -6.818 1.00 0.00 H new ATOM 0 HD2 LYS A 105 182.899 -2.793 -7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 105 183.122 -1.198 -8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 105 184.871 -3.551 -9.210 1.00 0.00 H new ATOM 0 HE3 LYS A 105 183.348 -3.220 -10.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 185.103 -2.203 -11.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 184.199 -0.961 -10.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 185.702 -1.408 -9.862 1.00 0.00 H new ATOM 1615 N LEU A 106 184.773 0.262 -3.042 1.00 0.00 N ATOM 1616 CA LEU A 106 185.362 1.341 -2.254 1.00 0.00 C ATOM 1617 C LEU A 106 186.051 0.800 -1.012 1.00 0.00 C ATOM 1618 O LEU A 106 187.260 0.961 -0.834 1.00 0.00 O ATOM 1619 CB LEU A 106 184.288 2.360 -1.861 1.00 0.00 C ATOM 1620 CG LEU A 106 184.493 3.765 -2.429 1.00 0.00 C ATOM 1621 CD1 LEU A 106 184.648 3.713 -3.941 1.00 0.00 C ATOM 1622 CD2 LEU A 106 183.334 4.671 -2.041 1.00 0.00 C ATOM 0 H LEU A 106 183.781 0.103 -2.864 1.00 0.00 H new ATOM 0 HA LEU A 106 186.113 1.836 -2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 106 183.318 1.989 -2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 106 184.251 2.426 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 106 185.409 4.177 -2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 106 184.793 4.722 -4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 106 185.511 3.099 -4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 106 183.751 3.280 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 106 183.497 5.667 -2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 106 182.404 4.262 -2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 106 183.270 4.734 -0.955 1.00 0.00 H new ATOM 1634 N PHE A 107 185.274 0.152 -0.159 1.00 0.00 N ATOM 1635 CA PHE A 107 185.802 -0.427 1.071 1.00 0.00 C ATOM 1636 C PHE A 107 186.989 -1.338 0.770 1.00 0.00 C ATOM 1637 O PHE A 107 187.836 -1.578 1.631 1.00 0.00 O ATOM 1638 CB PHE A 107 184.709 -1.202 1.816 1.00 0.00 C ATOM 1639 CG PHE A 107 184.683 -0.919 3.291 1.00 0.00 C ATOM 1640 CD1 PHE A 107 185.458 -1.661 4.167 1.00 0.00 C ATOM 1641 CD2 PHE A 107 183.885 0.093 3.801 1.00 0.00 C ATOM 1642 CE1 PHE A 107 185.438 -1.400 5.524 1.00 0.00 C ATOM 1643 CE2 PHE A 107 183.860 0.358 5.157 1.00 0.00 C ATOM 1644 CZ PHE A 107 184.637 -0.389 6.019 1.00 0.00 C ATOM 0 H PHE A 107 184.273 0.012 -0.294 1.00 0.00 H new ATOM 0 HA PHE A 107 186.145 0.386 1.711 1.00 0.00 H new ATOM 0 HB2 PHE A 107 183.739 -0.951 1.387 1.00 0.00 H new ATOM 0 HB3 PHE A 107 184.860 -2.270 1.660 1.00 0.00 H new ATOM 0 HD1 PHE A 107 186.085 -2.453 3.785 1.00 0.00 H new ATOM 0 HD2 PHE A 107 183.276 0.681 3.131 1.00 0.00 H new ATOM 0 HE1 PHE A 107 186.048 -1.985 6.196 1.00 0.00 H new ATOM 0 HE2 PHE A 107 183.233 1.149 5.542 1.00 0.00 H new ATOM 0 HZ PHE A 107 184.619 -0.184 7.079 1.00 0.00 H new ATOM 1654 N ARG A 108 187.046 -1.839 -0.462 1.00 0.00 N ATOM 1655 CA ARG A 108 188.129 -2.718 -0.884 1.00 0.00 C ATOM 1656 C ARG A 108 189.269 -1.918 -1.509 1.00 0.00 C ATOM 1657 O ARG A 108 190.441 -2.183 -1.244 1.00 0.00 O ATOM 1658 CB ARG A 108 187.611 -3.755 -1.882 1.00 0.00 C ATOM 1659 CG ARG A 108 188.563 -4.921 -2.096 1.00 0.00 C ATOM 1660 CD ARG A 108 188.484 -5.451 -3.518 1.00 0.00 C ATOM 1661 NE ARG A 108 187.383 -6.396 -3.690 1.00 0.00 N ATOM 1662 CZ ARG A 108 187.428 -7.666 -3.295 1.00 0.00 C ATOM 1663 NH1 ARG A 108 188.516 -8.147 -2.705 1.00 0.00 N ATOM 1664 NH2 ARG A 108 186.383 -8.458 -3.490 1.00 0.00 N ATOM 0 H ARG A 108 186.352 -1.649 -1.185 1.00 0.00 H new ATOM 0 HA ARG A 108 188.512 -3.231 -0.002 1.00 0.00 H new ATOM 0 HB2 ARG A 108 186.653 -4.138 -1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 108 187.427 -3.266 -2.839 1.00 0.00 H new ATOM 0 HG2 ARG A 108 189.583 -4.603 -1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 108 188.324 -5.721 -1.395 1.00 0.00 H new ATOM 0 HD2 ARG A 108 188.358 -4.618 -4.209 1.00 0.00 H new ATOM 0 HD3 ARG A 108 189.424 -5.939 -3.776 1.00 0.00 H new ATOM 0 HE ARG A 108 186.530 -6.063 -4.139 1.00 0.00 H new ATOM 0 HH11 ARG A 108 189.323 -7.542 -2.552 1.00 0.00 H new ATOM 0 HH12 ARG A 108 188.545 -9.121 -2.404 1.00 0.00 H new ATOM 0 HH21 ARG A 108 185.545 -8.094 -3.943 1.00 0.00 H new ATOM 0 HH22 ARG A 108 186.417 -9.431 -3.187 1.00 0.00 H new ATOM 1678 N GLU A 109 188.919 -0.939 -2.342 1.00 0.00 N ATOM 1679 CA GLU A 109 189.920 -0.107 -3.003 1.00 0.00 C ATOM 1680 C GLU A 109 190.768 0.649 -1.984 1.00 0.00 C ATOM 1681 O GLU A 109 191.903 1.031 -2.272 1.00 0.00 O ATOM 1682 CB GLU A 109 189.249 0.884 -3.955 1.00 0.00 C ATOM 1683 CG GLU A 109 189.038 0.335 -5.356 1.00 0.00 C ATOM 1684 CD GLU A 109 190.081 0.830 -6.339 1.00 0.00 C ATOM 1685 OE1 GLU A 109 190.531 1.986 -6.195 1.00 0.00 O ATOM 1686 OE2 GLU A 109 190.448 0.061 -7.253 1.00 0.00 O ATOM 0 H GLU A 109 187.954 -0.704 -2.574 1.00 0.00 H new ATOM 0 HA GLU A 109 190.573 -0.766 -3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 109 188.285 1.177 -3.540 1.00 0.00 H new ATOM 0 HB3 GLU A 109 189.858 1.786 -4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 109 189.063 -0.754 -5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 109 188.047 0.621 -5.709 1.00 0.00 H new ATOM 1693 N GLY A 110 190.216 0.863 -0.793 1.00 0.00 N ATOM 1694 CA GLY A 110 190.949 1.572 0.241 1.00 0.00 C ATOM 1695 C GLY A 110 190.106 2.604 0.971 1.00 0.00 C ATOM 1696 O GLY A 110 190.607 3.306 1.850 1.00 0.00 O ATOM 0 H GLY A 110 189.279 0.560 -0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 110 191.335 0.852 0.962 1.00 0.00 H new ATOM 0 HA3 GLY A 110 191.810 2.067 -0.208 1.00 0.00 H new