USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 467 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 194 THR OG1 : rot 79:sc= -0.177 USER MOD Set 1.2: A 197 LYS NZ :NH3+ -113:sc= 0.644 (180deg=-1.5!) USER MOD Set 1.3: A 209 MET CE :methyl 147:sc= -5.94 (180deg=-10.3!) USER MOD Set 2.1: A 184 ASN : amide:sc= 0.861 K(o=1.4,f=-3.1) USER MOD Set 2.2: A 188 LYS NZ :NH3+ -130:sc= 0.527 (180deg=-0.0278) USER MOD Set 3.1: A 174 ASN : amide:sc= -1.35 K(o=-0.77,f=-3!) USER MOD Set 3.2: A 177 ASN : amide:sc= 0.581 K(o=-0.77,f=-3) USER MOD Single : A 171 GLN : amide:sc= -0.0673 X(o=-0.067,f=-0.27) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 173 SER OG : rot -27:sc= 0.168 USER MOD Single : A 175 GLN : amide:sc= -0.821 K(o=-0.82,f=-0.2) USER MOD Single : A 176 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 180 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 186 THR OG1 : rot -80:sc= -3.43! USER MOD Single : A 189 GLN : amide:sc= -1.88! K(o=-1.9!,f=-0.25) USER MOD Single : A 190 HIS : no HD1:sc= -0.547 K(o=-0.55,f=-2.6!) USER MOD Single : A 191 THR OG1 : rot -4:sc= 0.423 USER MOD Single : A 193 THR OG1 : rot 74:sc= 0.351 USER MOD Single : A 195 THR OG1 : rot 64:sc= 1.21 USER MOD Single : A 196 THR OG1 : rot 8:sc= 0.484 USER MOD Single : A 200 ASN : amide:sc= -0.0699 K(o=-0.07,f=-1.8!) USER MOD Single : A 202 THR OG1 : rot 180:sc= 0 USER MOD Single : A 204 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : A 207 LYS NZ :NH3+ 148:sc= -0.127 (180deg=-1.31) USER MOD Single : A 215 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.073) USER MOD Single : A 216 MET CE :methyl -165:sc= -1.55 (180deg=-2.2) USER MOD Single : A 219 THR OG1 : rot 92:sc= 0.245 USER MOD Single : A 220 GLN : amide:sc= -2.15! K(o=-2.1!,f=-0.16) USER MOD Single : A 221 TYR OH : rot 180:sc=-0.00252 USER MOD Single : A 222 GLN : amide:sc= -0.441 K(o=-0.44,f=-1) USER MOD Single : A 225 SER OG : rot -25:sc= 1.19 USER MOD Single : A 226 GLN : amide:sc= -2.4 K(o=-2.4,f=-0.0082) USER MOD Single : A 228 TYR OH : rot 180:sc= 0 USER MOD Single : A 229 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N VAL A 169 16.251 3.277 1.002 1.00 0.00 N ATOM 40 CA VAL A 169 14.951 3.912 0.883 1.00 0.00 C ATOM 41 C VAL A 169 14.596 4.243 -0.561 1.00 0.00 C ATOM 42 O VAL A 169 13.795 5.147 -0.813 1.00 0.00 O ATOM 43 CB VAL A 169 14.847 5.212 1.692 1.00 0.00 C ATOM 44 CG1 VAL A 169 15.130 4.998 3.169 1.00 0.00 C ATOM 45 CG2 VAL A 169 15.781 6.259 1.120 1.00 0.00 C ATOM 0 HA VAL A 169 14.253 3.176 1.281 1.00 0.00 H new ATOM 0 HB VAL A 169 13.818 5.563 1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 169 15.044 5.948 3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 169 14.411 4.288 3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 169 16.139 4.604 3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 169 15.699 7.177 1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 169 16.807 5.893 1.162 1.00 0.00 H new ATOM 0 HG23 VAL A 169 15.510 6.461 0.084 1.00 0.00 H new ATOM 55 N ASP A 170 15.165 3.512 -1.513 1.00 0.00 N ATOM 56 CA ASP A 170 14.833 3.703 -2.932 1.00 0.00 C ATOM 57 C ASP A 170 13.327 3.520 -3.160 1.00 0.00 C ATOM 58 O ASP A 170 12.793 3.847 -4.218 1.00 0.00 O ATOM 59 CB ASP A 170 15.629 2.722 -3.799 1.00 0.00 C ATOM 60 CG ASP A 170 15.398 2.923 -5.283 1.00 0.00 C ATOM 61 OD1 ASP A 170 15.915 3.915 -5.839 1.00 0.00 O ATOM 62 OD2 ASP A 170 14.723 2.078 -5.908 1.00 0.00 O ATOM 0 H ASP A 170 15.856 2.783 -1.336 1.00 0.00 H new ATOM 0 HA ASP A 170 15.103 4.719 -3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 170 16.692 2.835 -3.584 1.00 0.00 H new ATOM 0 HB3 ASP A 170 15.355 1.702 -3.529 1.00 0.00 H new ATOM 67 N GLN A 171 12.662 3.031 -2.118 1.00 0.00 N ATOM 68 CA GLN A 171 11.219 2.847 -2.079 1.00 0.00 C ATOM 69 C GLN A 171 10.468 4.142 -2.428 1.00 0.00 C ATOM 70 O GLN A 171 9.345 4.091 -2.911 1.00 0.00 O ATOM 71 CB GLN A 171 10.832 2.369 -0.669 1.00 0.00 C ATOM 72 CG GLN A 171 11.544 1.089 -0.244 1.00 0.00 C ATOM 73 CD GLN A 171 10.923 -0.165 -0.817 1.00 0.00 C ATOM 74 OE1 GLN A 171 10.049 -0.772 -0.197 1.00 0.00 O ATOM 75 NE2 GLN A 171 11.364 -0.565 -2.000 1.00 0.00 N ATOM 0 H GLN A 171 13.126 2.745 -1.256 1.00 0.00 H new ATOM 0 HA GLN A 171 10.936 2.105 -2.826 1.00 0.00 H new ATOM 0 HB2 GLN A 171 11.060 3.157 0.049 1.00 0.00 H new ATOM 0 HB3 GLN A 171 9.755 2.206 -0.632 1.00 0.00 H new ATOM 0 HG2 GLN A 171 12.587 1.143 -0.554 1.00 0.00 H new ATOM 0 HG3 GLN A 171 11.538 1.023 0.844 1.00 0.00 H new ATOM 0 HE21 GLN A 171 12.090 -0.033 -2.480 1.00 0.00 H new ATOM 0 HE22 GLN A 171 10.978 -1.405 -2.431 1.00 0.00 H new ATOM 84 N TYR A 172 11.085 5.303 -2.187 1.00 0.00 N ATOM 85 CA TYR A 172 10.432 6.580 -2.504 1.00 0.00 C ATOM 86 C TYR A 172 10.903 7.119 -3.857 1.00 0.00 C ATOM 87 O TYR A 172 10.168 7.810 -4.557 1.00 0.00 O ATOM 88 CB TYR A 172 10.703 7.629 -1.414 1.00 0.00 C ATOM 89 CG TYR A 172 11.965 8.443 -1.638 1.00 0.00 C ATOM 90 CD1 TYR A 172 13.214 7.925 -1.340 1.00 0.00 C ATOM 91 CD2 TYR A 172 11.900 9.724 -2.172 1.00 0.00 C ATOM 92 CE1 TYR A 172 14.362 8.657 -1.562 1.00 0.00 C ATOM 93 CE2 TYR A 172 13.042 10.463 -2.400 1.00 0.00 C ATOM 94 CZ TYR A 172 14.270 9.925 -2.093 1.00 0.00 C ATOM 95 OH TYR A 172 15.413 10.655 -2.316 1.00 0.00 O ATOM 0 H TYR A 172 12.017 5.387 -1.782 1.00 0.00 H new ATOM 0 HA TYR A 172 9.360 6.389 -2.551 1.00 0.00 H new ATOM 0 HB2 TYR A 172 9.851 8.307 -1.357 1.00 0.00 H new ATOM 0 HB3 TYR A 172 10.774 7.126 -0.450 1.00 0.00 H new ATOM 0 HD1 TYR A 172 13.291 6.930 -0.926 1.00 0.00 H new ATOM 0 HD2 TYR A 172 10.937 10.149 -2.413 1.00 0.00 H new ATOM 0 HE1 TYR A 172 15.328 8.238 -1.321 1.00 0.00 H new ATOM 0 HE2 TYR A 172 12.972 11.457 -2.817 1.00 0.00 H new ATOM 0 HH TYR A 172 15.175 11.527 -2.694 1.00 0.00 H new ATOM 105 N SER A 173 12.141 6.805 -4.211 1.00 0.00 N ATOM 106 CA SER A 173 12.745 7.300 -5.442 1.00 0.00 C ATOM 107 C SER A 173 12.147 6.594 -6.662 1.00 0.00 C ATOM 108 O SER A 173 12.431 6.942 -7.810 1.00 0.00 O ATOM 109 CB SER A 173 14.264 7.084 -5.377 1.00 0.00 C ATOM 110 OG SER A 173 14.928 7.661 -6.488 1.00 0.00 O ATOM 0 H SER A 173 12.752 6.204 -3.658 1.00 0.00 H new ATOM 0 HA SER A 173 12.537 8.365 -5.544 1.00 0.00 H new ATOM 0 HB2 SER A 173 14.653 7.518 -4.456 1.00 0.00 H new ATOM 0 HB3 SER A 173 14.478 6.016 -5.341 1.00 0.00 H new ATOM 0 HG SER A 173 14.318 7.691 -7.254 1.00 0.00 H new ATOM 116 N ASN A 174 11.301 5.615 -6.399 1.00 0.00 N ATOM 117 CA ASN A 174 10.760 4.757 -7.438 1.00 0.00 C ATOM 118 C ASN A 174 9.259 4.993 -7.646 1.00 0.00 C ATOM 119 O ASN A 174 8.544 4.099 -8.094 1.00 0.00 O ATOM 120 CB ASN A 174 11.025 3.296 -7.065 1.00 0.00 C ATOM 121 CG ASN A 174 10.913 2.356 -8.243 1.00 0.00 C ATOM 122 OD1 ASN A 174 11.210 2.727 -9.378 1.00 0.00 O ATOM 123 ND2 ASN A 174 10.507 1.129 -7.974 1.00 0.00 N ATOM 0 H ASN A 174 10.970 5.392 -5.460 1.00 0.00 H new ATOM 0 HA ASN A 174 11.255 4.996 -8.379 1.00 0.00 H new ATOM 0 HB2 ASN A 174 12.023 3.212 -6.634 1.00 0.00 H new ATOM 0 HB3 ASN A 174 10.318 2.990 -6.294 1.00 0.00 H new ATOM 0 HD21 ASN A 174 10.429 0.442 -8.724 1.00 0.00 H new ATOM 0 HD22 ASN A 174 10.272 0.868 -7.016 1.00 0.00 H new ATOM 130 N GLN A 175 8.803 6.217 -7.321 1.00 0.00 N ATOM 131 CA GLN A 175 7.372 6.515 -7.109 1.00 0.00 C ATOM 132 C GLN A 175 6.433 5.828 -8.097 1.00 0.00 C ATOM 133 O GLN A 175 5.690 4.939 -7.697 1.00 0.00 O ATOM 134 CB GLN A 175 7.100 8.024 -7.133 1.00 0.00 C ATOM 135 CG GLN A 175 7.572 8.768 -5.890 1.00 0.00 C ATOM 136 CD GLN A 175 6.851 8.362 -4.606 1.00 0.00 C ATOM 137 OE1 GLN A 175 7.439 8.400 -3.526 1.00 0.00 O ATOM 138 NE2 GLN A 175 5.572 8.005 -4.690 1.00 0.00 N ATOM 0 H GLN A 175 9.413 7.025 -7.198 1.00 0.00 H new ATOM 0 HA GLN A 175 7.156 6.108 -6.121 1.00 0.00 H new ATOM 0 HB2 GLN A 175 7.588 8.455 -8.007 1.00 0.00 H new ATOM 0 HB3 GLN A 175 6.029 8.186 -7.254 1.00 0.00 H new ATOM 0 HG2 GLN A 175 8.641 8.598 -5.762 1.00 0.00 H new ATOM 0 HG3 GLN A 175 7.436 9.838 -6.047 1.00 0.00 H new ATOM 0 HE21 GLN A 175 5.108 7.982 -5.598 1.00 0.00 H new ATOM 0 HE22 GLN A 175 5.056 7.755 -3.847 1.00 0.00 H new ATOM 147 N ASN A 176 6.467 6.207 -9.366 1.00 0.00 N ATOM 148 CA ASN A 176 5.473 5.704 -10.318 1.00 0.00 C ATOM 149 C ASN A 176 5.624 4.199 -10.541 1.00 0.00 C ATOM 150 O ASN A 176 4.632 3.480 -10.677 1.00 0.00 O ATOM 151 CB ASN A 176 5.563 6.450 -11.652 1.00 0.00 C ATOM 152 CG ASN A 176 4.429 6.084 -12.598 1.00 0.00 C ATOM 153 OD1 ASN A 176 3.327 5.744 -12.168 1.00 0.00 O ATOM 154 ND2 ASN A 176 4.687 6.157 -13.894 1.00 0.00 N ATOM 0 H ASN A 176 7.155 6.848 -9.760 1.00 0.00 H new ATOM 0 HA ASN A 176 4.489 5.885 -9.885 1.00 0.00 H new ATOM 0 HB2 ASN A 176 5.546 7.524 -11.467 1.00 0.00 H new ATOM 0 HB3 ASN A 176 6.517 6.224 -12.128 1.00 0.00 H new ATOM 0 HD21 ASN A 176 3.961 5.928 -14.572 1.00 0.00 H new ATOM 0 HD22 ASN A 176 5.612 6.443 -14.215 1.00 0.00 H new ATOM 161 N ASN A 177 6.860 3.722 -10.550 1.00 0.00 N ATOM 162 CA ASN A 177 7.124 2.301 -10.755 1.00 0.00 C ATOM 163 C ASN A 177 6.577 1.473 -9.603 1.00 0.00 C ATOM 164 O ASN A 177 5.955 0.436 -9.829 1.00 0.00 O ATOM 165 CB ASN A 177 8.623 2.034 -10.928 1.00 0.00 C ATOM 166 CG ASN A 177 8.934 0.554 -11.088 1.00 0.00 C ATOM 167 OD1 ASN A 177 9.187 -0.156 -10.111 1.00 0.00 O ATOM 168 ND2 ASN A 177 8.930 0.080 -12.321 1.00 0.00 N ATOM 0 H ASN A 177 7.695 4.294 -10.419 1.00 0.00 H new ATOM 0 HA ASN A 177 6.613 2.004 -11.671 1.00 0.00 H new ATOM 0 HB2 ASN A 177 8.987 2.575 -11.801 1.00 0.00 H new ATOM 0 HB3 ASN A 177 9.161 2.424 -10.064 1.00 0.00 H new ATOM 0 HD21 ASN A 177 9.141 -0.904 -12.490 1.00 0.00 H new ATOM 0 HD22 ASN A 177 8.716 0.698 -13.104 1.00 0.00 H new ATOM 175 N PHE A 178 6.784 1.923 -8.369 1.00 0.00 N ATOM 176 CA PHE A 178 6.304 1.154 -7.233 1.00 0.00 C ATOM 177 C PHE A 178 4.805 1.348 -7.052 1.00 0.00 C ATOM 178 O PHE A 178 4.152 0.542 -6.408 1.00 0.00 O ATOM 179 CB PHE A 178 7.084 1.458 -5.939 1.00 0.00 C ATOM 180 CG PHE A 178 6.632 2.654 -5.143 1.00 0.00 C ATOM 181 CD1 PHE A 178 5.579 2.554 -4.247 1.00 0.00 C ATOM 182 CD2 PHE A 178 7.292 3.859 -5.249 1.00 0.00 C ATOM 183 CE1 PHE A 178 5.197 3.637 -3.483 1.00 0.00 C ATOM 184 CE2 PHE A 178 6.907 4.946 -4.490 1.00 0.00 C ATOM 185 CZ PHE A 178 5.859 4.835 -3.607 1.00 0.00 C ATOM 0 H PHE A 178 7.267 2.791 -8.136 1.00 0.00 H new ATOM 0 HA PHE A 178 6.487 0.102 -7.451 1.00 0.00 H new ATOM 0 HB2 PHE A 178 7.030 0.580 -5.295 1.00 0.00 H new ATOM 0 HB3 PHE A 178 8.133 1.599 -6.199 1.00 0.00 H new ATOM 0 HD1 PHE A 178 5.051 1.617 -4.146 1.00 0.00 H new ATOM 0 HD2 PHE A 178 8.121 3.954 -5.935 1.00 0.00 H new ATOM 0 HE1 PHE A 178 4.377 3.543 -2.787 1.00 0.00 H new ATOM 0 HE2 PHE A 178 7.430 5.886 -4.590 1.00 0.00 H new ATOM 0 HZ PHE A 178 5.557 5.685 -3.014 1.00 0.00 H new ATOM 195 N VAL A 179 4.251 2.406 -7.632 1.00 0.00 N ATOM 196 CA VAL A 179 2.799 2.533 -7.690 1.00 0.00 C ATOM 197 C VAL A 179 2.234 1.341 -8.452 1.00 0.00 C ATOM 198 O VAL A 179 1.360 0.632 -7.967 1.00 0.00 O ATOM 199 CB VAL A 179 2.331 3.845 -8.372 1.00 0.00 C ATOM 200 CG1 VAL A 179 0.817 3.855 -8.541 1.00 0.00 C ATOM 201 CG2 VAL A 179 2.770 5.061 -7.575 1.00 0.00 C ATOM 0 H VAL A 179 4.770 3.173 -8.060 1.00 0.00 H new ATOM 0 HA VAL A 179 2.431 2.560 -6.664 1.00 0.00 H new ATOM 0 HB VAL A 179 2.796 3.890 -9.357 1.00 0.00 H new ATOM 0 HG11 VAL A 179 0.511 4.784 -9.021 1.00 0.00 H new ATOM 0 HG12 VAL A 179 0.514 3.010 -9.159 1.00 0.00 H new ATOM 0 HG13 VAL A 179 0.341 3.778 -7.563 1.00 0.00 H new ATOM 0 HG21 VAL A 179 2.429 5.967 -8.076 1.00 0.00 H new ATOM 0 HG22 VAL A 179 2.340 5.015 -6.575 1.00 0.00 H new ATOM 0 HG23 VAL A 179 3.857 5.075 -7.502 1.00 0.00 H new ATOM 211 N HIS A 180 2.793 1.079 -9.615 1.00 0.00 N ATOM 212 CA HIS A 180 2.334 -0.028 -10.430 1.00 0.00 C ATOM 213 C HIS A 180 2.711 -1.362 -9.789 1.00 0.00 C ATOM 214 O HIS A 180 1.857 -2.220 -9.581 1.00 0.00 O ATOM 215 CB HIS A 180 2.927 0.074 -11.835 1.00 0.00 C ATOM 216 CG HIS A 180 2.393 -0.943 -12.799 1.00 0.00 C ATOM 217 ND1 HIS A 180 3.226 -1.818 -13.456 1.00 0.00 N ATOM 218 CD2 HIS A 180 1.117 -1.163 -13.200 1.00 0.00 C ATOM 219 CE1 HIS A 180 2.447 -2.545 -14.237 1.00 0.00 C ATOM 220 NE2 HIS A 180 1.159 -2.184 -14.117 1.00 0.00 N ATOM 0 H HIS A 180 3.563 1.614 -10.017 1.00 0.00 H new ATOM 0 HA HIS A 180 1.247 0.021 -10.502 1.00 0.00 H new ATOM 0 HB2 HIS A 180 2.731 1.071 -12.229 1.00 0.00 H new ATOM 0 HB3 HIS A 180 4.010 -0.036 -11.770 1.00 0.00 H new ATOM 0 HD2 HIS A 180 0.236 -0.636 -12.863 1.00 0.00 H new ATOM 0 HE1 HIS A 180 2.801 -3.330 -14.889 1.00 0.00 H new ATOM 0 HE2 HIS A 180 0.365 -2.590 -14.612 1.00 0.00 H new ATOM 227 N ASP A 181 3.986 -1.510 -9.450 1.00 0.00 N ATOM 228 CA ASP A 181 4.514 -2.783 -8.951 1.00 0.00 C ATOM 229 C ASP A 181 4.051 -3.093 -7.526 1.00 0.00 C ATOM 230 O ASP A 181 3.472 -4.148 -7.271 1.00 0.00 O ATOM 231 CB ASP A 181 6.046 -2.768 -9.003 1.00 0.00 C ATOM 232 CG ASP A 181 6.664 -4.101 -8.631 1.00 0.00 C ATOM 233 OD1 ASP A 181 6.818 -4.382 -7.421 1.00 0.00 O ATOM 234 OD2 ASP A 181 7.009 -4.875 -9.548 1.00 0.00 O ATOM 0 H ASP A 181 4.679 -0.764 -9.510 1.00 0.00 H new ATOM 0 HA ASP A 181 4.123 -3.568 -9.598 1.00 0.00 H new ATOM 0 HB2 ASP A 181 6.367 -2.492 -10.007 1.00 0.00 H new ATOM 0 HB3 ASP A 181 6.420 -1.999 -8.327 1.00 0.00 H new ATOM 239 N CYS A 182 4.292 -2.179 -6.599 1.00 0.00 N ATOM 240 CA CYS A 182 4.034 -2.451 -5.189 1.00 0.00 C ATOM 241 C CYS A 182 2.553 -2.370 -4.870 1.00 0.00 C ATOM 242 O CYS A 182 2.069 -3.113 -4.018 1.00 0.00 O ATOM 243 CB CYS A 182 4.839 -1.505 -4.284 1.00 0.00 C ATOM 244 SG CYS A 182 3.863 -0.170 -3.524 1.00 0.00 S ATOM 0 H CYS A 182 4.663 -1.249 -6.793 1.00 0.00 H new ATOM 0 HA CYS A 182 4.363 -3.471 -4.990 1.00 0.00 H new ATOM 0 HB2 CYS A 182 5.307 -2.091 -3.493 1.00 0.00 H new ATOM 0 HB3 CYS A 182 5.644 -1.061 -4.870 1.00 0.00 H new ATOM 249 N VAL A 183 1.809 -1.501 -5.542 1.00 0.00 N ATOM 250 CA VAL A 183 0.382 -1.466 -5.308 1.00 0.00 C ATOM 251 C VAL A 183 -0.252 -2.697 -5.924 1.00 0.00 C ATOM 252 O VAL A 183 -1.255 -3.206 -5.434 1.00 0.00 O ATOM 253 CB VAL A 183 -0.273 -0.183 -5.836 1.00 0.00 C ATOM 254 CG1 VAL A 183 -1.760 -0.181 -5.556 1.00 0.00 C ATOM 255 CG2 VAL A 183 0.393 1.020 -5.197 1.00 0.00 C ATOM 0 H VAL A 183 2.159 -0.834 -6.230 1.00 0.00 H new ATOM 0 HA VAL A 183 0.215 -1.466 -4.231 1.00 0.00 H new ATOM 0 HB VAL A 183 -0.140 -0.136 -6.917 1.00 0.00 H new ATOM 0 HG11 VAL A 183 -2.201 0.739 -5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 183 -2.224 -1.038 -6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 183 -1.928 -0.243 -4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 183 -0.070 1.933 -5.570 1.00 0.00 H new ATOM 0 HG22 VAL A 183 0.275 0.969 -4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 183 1.454 1.023 -5.446 1.00 0.00 H new ATOM 265 N ASN A 184 0.372 -3.198 -6.980 1.00 0.00 N ATOM 266 CA ASN A 184 -0.034 -4.472 -7.565 1.00 0.00 C ATOM 267 C ASN A 184 -0.016 -5.558 -6.494 1.00 0.00 C ATOM 268 O ASN A 184 -1.027 -6.212 -6.241 1.00 0.00 O ATOM 269 CB ASN A 184 0.901 -4.883 -8.705 1.00 0.00 C ATOM 270 CG ASN A 184 0.181 -5.634 -9.808 1.00 0.00 C ATOM 271 OD1 ASN A 184 -0.804 -6.330 -9.565 1.00 0.00 O ATOM 272 ND2 ASN A 184 0.670 -5.498 -11.031 1.00 0.00 N ATOM 0 H ASN A 184 1.157 -2.746 -7.449 1.00 0.00 H new ATOM 0 HA ASN A 184 -1.041 -4.352 -7.965 1.00 0.00 H new ATOM 0 HB2 ASN A 184 1.371 -3.993 -9.123 1.00 0.00 H new ATOM 0 HB3 ASN A 184 1.700 -5.508 -8.307 1.00 0.00 H new ATOM 0 HD21 ASN A 184 0.228 -5.980 -11.814 1.00 0.00 H new ATOM 0 HD22 ASN A 184 1.489 -4.911 -11.190 1.00 0.00 H new ATOM 279 N ILE A 185 1.133 -5.714 -5.837 1.00 0.00 N ATOM 280 CA ILE A 185 1.312 -6.770 -4.845 1.00 0.00 C ATOM 281 C ILE A 185 0.480 -6.523 -3.591 1.00 0.00 C ATOM 282 O ILE A 185 -0.065 -7.461 -3.013 1.00 0.00 O ATOM 283 CB ILE A 185 2.805 -6.997 -4.486 1.00 0.00 C ATOM 284 CG1 ILE A 185 3.483 -5.731 -3.951 1.00 0.00 C ATOM 285 CG2 ILE A 185 3.553 -7.520 -5.702 1.00 0.00 C ATOM 286 CD1 ILE A 185 3.442 -5.595 -2.440 1.00 0.00 C ATOM 0 H ILE A 185 1.952 -5.122 -5.975 1.00 0.00 H new ATOM 0 HA ILE A 185 0.948 -7.687 -5.309 1.00 0.00 H new ATOM 0 HB ILE A 185 2.837 -7.735 -3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 185 4.523 -5.724 -4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 185 3.003 -4.859 -4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 185 4.600 -7.678 -5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 185 3.112 -8.464 -6.022 1.00 0.00 H new ATOM 0 HG23 ILE A 185 3.484 -6.794 -6.512 1.00 0.00 H new ATOM 0 HD11 ILE A 185 3.943 -4.673 -2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 185 2.405 -5.568 -2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 185 3.949 -6.446 -1.984 1.00 0.00 H new ATOM 298 N THR A 186 0.368 -5.268 -3.174 1.00 0.00 N ATOM 299 CA THR A 186 -0.519 -4.935 -2.059 1.00 0.00 C ATOM 300 C THR A 186 -1.971 -5.257 -2.380 1.00 0.00 C ATOM 301 O THR A 186 -2.746 -5.583 -1.481 1.00 0.00 O ATOM 302 CB THR A 186 -0.379 -3.476 -1.581 1.00 0.00 C ATOM 303 OG1 THR A 186 -0.088 -2.616 -2.677 1.00 0.00 O ATOM 304 CG2 THR A 186 0.709 -3.355 -0.524 1.00 0.00 C ATOM 0 H THR A 186 0.868 -4.476 -3.579 1.00 0.00 H new ATOM 0 HA THR A 186 -0.198 -5.568 -1.232 1.00 0.00 H new ATOM 0 HB THR A 186 -1.329 -3.175 -1.139 1.00 0.00 H new ATOM 0 HG1 THR A 186 0.867 -2.669 -2.890 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.790 -2.317 -0.202 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.457 -3.982 0.331 1.00 0.00 H new ATOM 0 HG23 THR A 186 1.661 -3.680 -0.943 1.00 0.00 H new ATOM 312 N VAL A 187 -2.353 -5.166 -3.651 1.00 0.00 N ATOM 313 CA VAL A 187 -3.688 -5.585 -4.045 1.00 0.00 C ATOM 314 C VAL A 187 -3.870 -7.074 -3.778 1.00 0.00 C ATOM 315 O VAL A 187 -4.883 -7.493 -3.210 1.00 0.00 O ATOM 316 CB VAL A 187 -4.006 -5.288 -5.530 1.00 0.00 C ATOM 317 CG1 VAL A 187 -5.270 -6.017 -5.967 1.00 0.00 C ATOM 318 CG2 VAL A 187 -4.162 -3.797 -5.759 1.00 0.00 C ATOM 0 H VAL A 187 -1.769 -4.813 -4.409 1.00 0.00 H new ATOM 0 HA VAL A 187 -4.384 -5.002 -3.443 1.00 0.00 H new ATOM 0 HB VAL A 187 -3.170 -5.647 -6.130 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -5.475 -5.794 -7.014 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -5.131 -7.091 -5.845 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -6.110 -5.688 -5.355 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -4.385 -3.612 -6.810 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -4.977 -3.418 -5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -3.236 -3.289 -5.490 1.00 0.00 H new ATOM 328 N LYS A 188 -2.883 -7.871 -4.173 1.00 0.00 N ATOM 329 CA LYS A 188 -2.909 -9.291 -3.899 1.00 0.00 C ATOM 330 C LYS A 188 -2.972 -9.522 -2.393 1.00 0.00 C ATOM 331 O LYS A 188 -3.694 -10.392 -1.919 1.00 0.00 O ATOM 332 CB LYS A 188 -1.681 -9.977 -4.493 1.00 0.00 C ATOM 333 CG LYS A 188 -1.639 -9.993 -6.016 1.00 0.00 C ATOM 334 CD LYS A 188 -0.543 -9.085 -6.544 1.00 0.00 C ATOM 335 CE LYS A 188 -0.351 -9.214 -8.048 1.00 0.00 C ATOM 336 NZ LYS A 188 -1.597 -8.929 -8.810 1.00 0.00 N ATOM 0 H LYS A 188 -2.059 -7.552 -4.683 1.00 0.00 H new ATOM 0 HA LYS A 188 -3.795 -9.723 -4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 188 -0.786 -9.476 -4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 188 -1.644 -11.004 -4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 188 -1.472 -11.011 -6.367 1.00 0.00 H new ATOM 0 HG3 LYS A 188 -2.603 -9.673 -6.412 1.00 0.00 H new ATOM 0 HD2 LYS A 188 -0.784 -8.050 -6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 188 0.394 -9.322 -6.040 1.00 0.00 H new ATOM 0 HE2 LYS A 188 0.433 -8.529 -8.371 1.00 0.00 H new ATOM 0 HE3 LYS A 188 -0.009 -10.222 -8.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 -1.771 -9.696 -9.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 -2.399 -8.861 -8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 -1.493 -8.030 -9.322 1.00 0.00 H new ATOM 350 N GLN A 189 -2.229 -8.711 -1.650 1.00 0.00 N ATOM 351 CA GLN A 189 -2.248 -8.755 -0.196 1.00 0.00 C ATOM 352 C GLN A 189 -3.663 -8.560 0.336 1.00 0.00 C ATOM 353 O GLN A 189 -4.145 -9.356 1.143 1.00 0.00 O ATOM 354 CB GLN A 189 -1.321 -7.675 0.368 1.00 0.00 C ATOM 355 CG GLN A 189 -1.171 -7.722 1.875 1.00 0.00 C ATOM 356 CD GLN A 189 0.118 -7.079 2.337 1.00 0.00 C ATOM 357 OE1 GLN A 189 0.184 -6.483 3.413 1.00 0.00 O ATOM 358 NE2 GLN A 189 1.164 -7.223 1.536 1.00 0.00 N ATOM 0 H GLN A 189 -1.600 -8.008 -2.037 1.00 0.00 H new ATOM 0 HA GLN A 189 -1.896 -9.736 0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 189 -0.337 -7.780 -0.089 1.00 0.00 H new ATOM 0 HB3 GLN A 189 -1.703 -6.695 0.081 1.00 0.00 H new ATOM 0 HG2 GLN A 189 -2.016 -7.214 2.339 1.00 0.00 H new ATOM 0 HG3 GLN A 189 -1.199 -8.759 2.210 1.00 0.00 H new ATOM 0 HE21 GLN A 189 1.065 -7.724 0.653 1.00 0.00 H new ATOM 0 HE22 GLN A 189 2.068 -6.833 1.802 1.00 0.00 H new ATOM 367 N HIS A 190 -4.337 -7.519 -0.139 1.00 0.00 N ATOM 368 CA HIS A 190 -5.672 -7.207 0.344 1.00 0.00 C ATOM 369 C HIS A 190 -6.673 -8.271 -0.088 1.00 0.00 C ATOM 370 O HIS A 190 -7.591 -8.605 0.660 1.00 0.00 O ATOM 371 CB HIS A 190 -6.132 -5.836 -0.145 1.00 0.00 C ATOM 372 CG HIS A 190 -6.616 -4.957 0.966 1.00 0.00 C ATOM 373 ND1 HIS A 190 -7.495 -3.925 0.742 1.00 0.00 N ATOM 374 CD2 HIS A 190 -6.295 -4.987 2.280 1.00 0.00 C ATOM 375 CE1 HIS A 190 -7.688 -3.353 1.916 1.00 0.00 C ATOM 376 NE2 HIS A 190 -6.981 -3.964 2.880 1.00 0.00 N ATOM 0 H HIS A 190 -3.982 -6.882 -0.853 1.00 0.00 H new ATOM 0 HA HIS A 190 -5.625 -7.190 1.433 1.00 0.00 H new ATOM 0 HB2 HIS A 190 -5.307 -5.343 -0.659 1.00 0.00 H new ATOM 0 HB3 HIS A 190 -6.931 -5.965 -0.875 1.00 0.00 H new ATOM 0 HD2 HIS A 190 -5.626 -5.684 2.763 1.00 0.00 H new ATOM 0 HE1 HIS A 190 -8.332 -2.502 2.080 1.00 0.00 H new ATOM 0 HE2 HIS A 190 -6.959 -3.715 3.869 1.00 0.00 H new ATOM 383 N THR A 191 -6.497 -8.812 -1.290 1.00 0.00 N ATOM 384 CA THR A 191 -7.391 -9.852 -1.777 1.00 0.00 C ATOM 385 C THR A 191 -7.168 -11.157 -1.006 1.00 0.00 C ATOM 386 O THR A 191 -8.093 -11.950 -0.837 1.00 0.00 O ATOM 387 CB THR A 191 -7.240 -10.098 -3.295 1.00 0.00 C ATOM 388 OG1 THR A 191 -5.892 -10.443 -3.616 1.00 0.00 O ATOM 389 CG2 THR A 191 -7.651 -8.869 -4.089 1.00 0.00 C ATOM 0 H THR A 191 -5.752 -8.550 -1.936 1.00 0.00 H new ATOM 0 HA THR A 191 -8.408 -9.500 -1.606 1.00 0.00 H new ATOM 0 HB THR A 191 -7.896 -10.926 -3.563 1.00 0.00 H new ATOM 0 HG1 THR A 191 -5.340 -10.391 -2.808 1.00 0.00 H new ATOM 0 HG21 THR A 191 -7.535 -9.069 -5.154 1.00 0.00 H new ATOM 0 HG22 THR A 191 -8.693 -8.630 -3.876 1.00 0.00 H new ATOM 0 HG23 THR A 191 -7.020 -8.026 -3.807 1.00 0.00 H new ATOM 397 N VAL A 192 -5.939 -11.374 -0.527 1.00 0.00 N ATOM 398 CA VAL A 192 -5.641 -12.512 0.347 1.00 0.00 C ATOM 399 C VAL A 192 -6.277 -12.302 1.713 1.00 0.00 C ATOM 400 O VAL A 192 -6.965 -13.184 2.224 1.00 0.00 O ATOM 401 CB VAL A 192 -4.122 -12.740 0.519 1.00 0.00 C ATOM 402 CG1 VAL A 192 -3.853 -13.762 1.616 1.00 0.00 C ATOM 403 CG2 VAL A 192 -3.501 -13.205 -0.790 1.00 0.00 C ATOM 0 H VAL A 192 -5.136 -10.778 -0.729 1.00 0.00 H new ATOM 0 HA VAL A 192 -6.059 -13.399 -0.130 1.00 0.00 H new ATOM 0 HB VAL A 192 -3.667 -11.792 0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 192 -2.778 -13.908 1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 192 -4.264 -13.401 2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 192 -4.324 -14.709 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 192 -2.431 -13.361 -0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 192 -3.966 -14.140 -1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 192 -3.660 -12.448 -1.558 1.00 0.00 H new ATOM 413 N THR A 193 -6.063 -11.123 2.288 1.00 0.00 N ATOM 414 CA THR A 193 -6.711 -10.757 3.542 1.00 0.00 C ATOM 415 C THR A 193 -8.230 -10.860 3.393 1.00 0.00 C ATOM 416 O THR A 193 -8.952 -11.154 4.342 1.00 0.00 O ATOM 417 CB THR A 193 -6.309 -9.332 3.975 1.00 0.00 C ATOM 418 OG1 THR A 193 -4.881 -9.245 4.082 1.00 0.00 O ATOM 419 CG2 THR A 193 -6.938 -8.958 5.312 1.00 0.00 C ATOM 0 H THR A 193 -5.447 -10.406 1.906 1.00 0.00 H new ATOM 0 HA THR A 193 -6.381 -11.450 4.316 1.00 0.00 H new ATOM 0 HB THR A 193 -6.672 -8.636 3.219 1.00 0.00 H new ATOM 0 HG1 THR A 193 -4.487 -9.222 3.185 1.00 0.00 H new ATOM 0 HG21 THR A 193 -6.634 -7.948 5.587 1.00 0.00 H new ATOM 0 HG22 THR A 193 -8.024 -9.000 5.228 1.00 0.00 H new ATOM 0 HG23 THR A 193 -6.606 -9.658 6.079 1.00 0.00 H new ATOM 427 N THR A 194 -8.700 -10.639 2.178 1.00 0.00 N ATOM 428 CA THR A 194 -10.096 -10.821 1.850 1.00 0.00 C ATOM 429 C THR A 194 -10.463 -12.301 1.766 1.00 0.00 C ATOM 430 O THR A 194 -11.515 -12.719 2.250 1.00 0.00 O ATOM 431 CB THR A 194 -10.435 -10.127 0.531 1.00 0.00 C ATOM 432 OG1 THR A 194 -10.449 -8.711 0.729 1.00 0.00 O ATOM 433 CG2 THR A 194 -11.771 -10.612 0.000 1.00 0.00 C ATOM 0 H THR A 194 -8.124 -10.329 1.396 1.00 0.00 H new ATOM 0 HA THR A 194 -10.680 -10.369 2.652 1.00 0.00 H new ATOM 0 HB THR A 194 -9.675 -10.373 -0.210 1.00 0.00 H new ATOM 0 HG1 THR A 194 -9.529 -8.372 0.735 1.00 0.00 H new ATOM 0 HG21 THR A 194 -11.994 -10.106 -0.939 1.00 0.00 H new ATOM 0 HG22 THR A 194 -11.727 -11.688 -0.169 1.00 0.00 H new ATOM 0 HG23 THR A 194 -12.553 -10.391 0.726 1.00 0.00 H new ATOM 441 N THR A 195 -9.598 -13.088 1.154 1.00 0.00 N ATOM 442 CA THR A 195 -9.784 -14.524 1.090 1.00 0.00 C ATOM 443 C THR A 195 -9.912 -15.093 2.501 1.00 0.00 C ATOM 444 O THR A 195 -10.637 -16.062 2.735 1.00 0.00 O ATOM 445 CB THR A 195 -8.605 -15.193 0.353 1.00 0.00 C ATOM 446 OG1 THR A 195 -8.490 -14.658 -0.975 1.00 0.00 O ATOM 447 CG2 THR A 195 -8.792 -16.698 0.279 1.00 0.00 C ATOM 0 H THR A 195 -8.753 -12.753 0.691 1.00 0.00 H new ATOM 0 HA THR A 195 -10.699 -14.733 0.535 1.00 0.00 H new ATOM 0 HB THR A 195 -7.693 -14.984 0.913 1.00 0.00 H new ATOM 0 HG1 THR A 195 -8.271 -13.704 -0.926 1.00 0.00 H new ATOM 0 HG21 THR A 195 -7.947 -17.144 -0.245 1.00 0.00 H new ATOM 0 HG22 THR A 195 -8.851 -17.107 1.287 1.00 0.00 H new ATOM 0 HG23 THR A 195 -9.713 -16.924 -0.258 1.00 0.00 H new ATOM 455 N THR A 196 -9.228 -14.460 3.444 1.00 0.00 N ATOM 456 CA THR A 196 -9.279 -14.887 4.824 1.00 0.00 C ATOM 457 C THR A 196 -10.352 -14.131 5.621 1.00 0.00 C ATOM 458 O THR A 196 -10.736 -14.566 6.706 1.00 0.00 O ATOM 459 CB THR A 196 -7.897 -14.720 5.498 1.00 0.00 C ATOM 460 OG1 THR A 196 -7.473 -13.351 5.427 1.00 0.00 O ATOM 461 CG2 THR A 196 -6.854 -15.597 4.819 1.00 0.00 C ATOM 0 H THR A 196 -8.633 -13.650 3.273 1.00 0.00 H new ATOM 0 HA THR A 196 -9.550 -15.943 4.824 1.00 0.00 H new ATOM 0 HB THR A 196 -7.994 -15.022 6.541 1.00 0.00 H new ATOM 0 HG1 THR A 196 -8.205 -12.799 5.080 1.00 0.00 H new ATOM 0 HG21 THR A 196 -5.890 -15.463 5.310 1.00 0.00 H new ATOM 0 HG22 THR A 196 -7.155 -16.642 4.890 1.00 0.00 H new ATOM 0 HG23 THR A 196 -6.769 -15.315 3.770 1.00 0.00 H new ATOM 469 N LYS A 197 -10.840 -13.005 5.086 1.00 0.00 N ATOM 470 CA LYS A 197 -11.930 -12.262 5.732 1.00 0.00 C ATOM 471 C LYS A 197 -13.266 -12.950 5.487 1.00 0.00 C ATOM 472 O LYS A 197 -14.313 -12.500 5.952 1.00 0.00 O ATOM 473 CB LYS A 197 -11.985 -10.795 5.253 1.00 0.00 C ATOM 474 CG LYS A 197 -12.668 -10.550 3.901 1.00 0.00 C ATOM 475 CD LYS A 197 -12.559 -9.078 3.510 1.00 0.00 C ATOM 476 CE LYS A 197 -13.272 -8.717 2.201 1.00 0.00 C ATOM 477 NZ LYS A 197 -13.191 -7.258 1.953 1.00 0.00 N ATOM 0 H LYS A 197 -10.502 -12.592 4.217 1.00 0.00 H new ATOM 0 HA LYS A 197 -11.729 -12.253 6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -12.503 -10.206 6.010 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -10.965 -10.415 5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -12.206 -11.172 3.135 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -13.717 -10.841 3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -12.972 -8.469 4.314 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -11.505 -8.815 3.420 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -12.818 -9.259 1.371 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -14.316 -9.026 2.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -14.141 -6.841 2.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -12.567 -6.820 2.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -12.808 -7.088 1.001 1.00 0.00 H new ATOM 491 N GLY A 198 -13.215 -14.053 4.763 1.00 0.00 N ATOM 492 CA GLY A 198 -14.411 -14.795 4.450 1.00 0.00 C ATOM 493 C GLY A 198 -14.540 -15.050 2.972 1.00 0.00 C ATOM 494 O GLY A 198 -15.450 -15.754 2.532 1.00 0.00 O ATOM 0 H GLY A 198 -12.356 -14.451 4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 198 -14.399 -15.746 4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 198 -15.283 -14.244 4.801 1.00 0.00 H new ATOM 498 N GLU A 199 -13.624 -14.458 2.209 1.00 0.00 N ATOM 499 CA GLU A 199 -13.550 -14.669 0.771 1.00 0.00 C ATOM 500 C GLU A 199 -14.826 -14.178 0.104 1.00 0.00 C ATOM 501 O GLU A 199 -15.404 -14.801 -0.785 1.00 0.00 O ATOM 502 CB GLU A 199 -13.267 -16.134 0.508 1.00 0.00 C ATOM 503 CG GLU A 199 -13.060 -16.502 -0.952 1.00 0.00 C ATOM 504 CD GLU A 199 -12.862 -17.987 -1.147 1.00 0.00 C ATOM 505 OE1 GLU A 199 -13.869 -18.708 -1.310 1.00 0.00 O ATOM 506 OE2 GLU A 199 -11.700 -18.447 -1.126 1.00 0.00 O ATOM 0 H GLU A 199 -12.915 -13.821 2.572 1.00 0.00 H new ATOM 0 HA GLU A 199 -12.735 -14.090 0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 199 -12.377 -16.422 1.068 1.00 0.00 H new ATOM 0 HB3 GLU A 199 -14.095 -16.724 0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 199 -13.922 -16.173 -1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 199 -12.192 -15.968 -1.339 1.00 0.00 H new ATOM 513 N ASN A 200 -15.257 -13.042 0.588 1.00 0.00 N ATOM 514 CA ASN A 200 -16.422 -12.349 0.047 1.00 0.00 C ATOM 515 C ASN A 200 -15.976 -11.085 -0.658 1.00 0.00 C ATOM 516 O ASN A 200 -16.421 -9.975 -0.363 1.00 0.00 O ATOM 517 CB ASN A 200 -17.420 -12.015 1.151 1.00 0.00 C ATOM 518 CG ASN A 200 -18.810 -11.687 0.620 1.00 0.00 C ATOM 519 OD1 ASN A 200 -18.974 -11.181 -0.491 1.00 0.00 O ATOM 520 ND2 ASN A 200 -19.823 -11.978 1.418 1.00 0.00 N ATOM 0 H ASN A 200 -14.816 -12.561 1.372 1.00 0.00 H new ATOM 0 HA ASN A 200 -16.919 -13.006 -0.667 1.00 0.00 H new ATOM 0 HB2 ASN A 200 -17.489 -12.859 1.837 1.00 0.00 H new ATOM 0 HB3 ASN A 200 -17.047 -11.167 1.725 1.00 0.00 H new ATOM 0 HD21 ASN A 200 -20.779 -11.784 1.120 1.00 0.00 H new ATOM 0 HD22 ASN A 200 -19.649 -12.397 2.332 1.00 0.00 H new ATOM 527 N PHE A 201 -15.054 -11.273 -1.566 1.00 0.00 N ATOM 528 CA PHE A 201 -14.656 -10.225 -2.470 1.00 0.00 C ATOM 529 C PHE A 201 -15.602 -10.208 -3.645 1.00 0.00 C ATOM 530 O PHE A 201 -16.026 -11.249 -4.139 1.00 0.00 O ATOM 531 CB PHE A 201 -13.230 -10.434 -2.972 1.00 0.00 C ATOM 532 CG PHE A 201 -12.961 -11.805 -3.537 1.00 0.00 C ATOM 533 CD1 PHE A 201 -12.622 -12.862 -2.707 1.00 0.00 C ATOM 534 CD2 PHE A 201 -13.045 -12.033 -4.902 1.00 0.00 C ATOM 535 CE1 PHE A 201 -12.374 -14.117 -3.229 1.00 0.00 C ATOM 536 CE2 PHE A 201 -12.798 -13.284 -5.428 1.00 0.00 C ATOM 537 CZ PHE A 201 -12.462 -14.328 -4.591 1.00 0.00 C ATOM 0 H PHE A 201 -14.559 -12.155 -1.700 1.00 0.00 H new ATOM 0 HA PHE A 201 -14.690 -9.275 -1.936 1.00 0.00 H new ATOM 0 HB2 PHE A 201 -13.016 -9.690 -3.739 1.00 0.00 H new ATOM 0 HB3 PHE A 201 -12.538 -10.252 -2.150 1.00 0.00 H new ATOM 0 HD1 PHE A 201 -12.551 -12.703 -1.641 1.00 0.00 H new ATOM 0 HD2 PHE A 201 -13.307 -11.220 -5.563 1.00 0.00 H new ATOM 0 HE1 PHE A 201 -12.111 -14.933 -2.572 1.00 0.00 H new ATOM 0 HE2 PHE A 201 -12.868 -13.446 -6.494 1.00 0.00 H new ATOM 0 HZ PHE A 201 -12.268 -15.309 -5.000 1.00 0.00 H new ATOM 547 N THR A 202 -15.950 -9.029 -4.058 1.00 0.00 N ATOM 548 CA THR A 202 -16.655 -8.820 -5.259 1.00 0.00 C ATOM 549 C THR A 202 -15.882 -7.740 -5.995 1.00 0.00 C ATOM 550 O THR A 202 -15.048 -7.103 -5.353 1.00 0.00 O ATOM 551 CB THR A 202 -18.111 -8.387 -4.988 1.00 0.00 C ATOM 552 OG1 THR A 202 -18.663 -9.184 -3.928 1.00 0.00 O ATOM 553 CG2 THR A 202 -18.977 -8.541 -6.226 1.00 0.00 C ATOM 0 H THR A 202 -15.741 -8.171 -3.547 1.00 0.00 H new ATOM 0 HA THR A 202 -16.727 -9.734 -5.848 1.00 0.00 H new ATOM 0 HB THR A 202 -18.099 -7.335 -4.704 1.00 0.00 H new ATOM 0 HG1 THR A 202 -19.587 -8.906 -3.757 1.00 0.00 H new ATOM 0 HG21 THR A 202 -19.996 -8.227 -5.999 1.00 0.00 H new ATOM 0 HG22 THR A 202 -18.577 -7.922 -7.029 1.00 0.00 H new ATOM 0 HG23 THR A 202 -18.981 -9.585 -6.540 1.00 0.00 H new ATOM 561 N GLU A 203 -16.091 -7.504 -7.287 1.00 0.00 N ATOM 562 CA GLU A 203 -15.312 -6.455 -7.954 1.00 0.00 C ATOM 563 C GLU A 203 -15.467 -5.138 -7.207 1.00 0.00 C ATOM 564 O GLU A 203 -14.538 -4.341 -7.143 1.00 0.00 O ATOM 565 CB GLU A 203 -15.701 -6.273 -9.420 1.00 0.00 C ATOM 566 CG GLU A 203 -14.999 -5.084 -10.072 1.00 0.00 C ATOM 567 CD GLU A 203 -15.395 -4.877 -11.517 1.00 0.00 C ATOM 568 OE1 GLU A 203 -16.608 -4.794 -11.800 1.00 0.00 O ATOM 569 OE2 GLU A 203 -14.493 -4.778 -12.373 1.00 0.00 O ATOM 0 H GLU A 203 -16.762 -7.998 -7.876 1.00 0.00 H new ATOM 0 HA GLU A 203 -14.269 -6.772 -7.937 1.00 0.00 H new ATOM 0 HB2 GLU A 203 -15.457 -7.181 -9.972 1.00 0.00 H new ATOM 0 HB3 GLU A 203 -16.780 -6.136 -9.491 1.00 0.00 H new ATOM 0 HG2 GLU A 203 -15.228 -4.181 -9.506 1.00 0.00 H new ATOM 0 HG3 GLU A 203 -13.920 -5.231 -10.015 1.00 0.00 H new ATOM 576 N THR A 204 -16.622 -4.968 -6.583 1.00 0.00 N ATOM 577 CA THR A 204 -16.887 -3.825 -5.733 1.00 0.00 C ATOM 578 C THR A 204 -15.856 -3.740 -4.623 1.00 0.00 C ATOM 579 O THR A 204 -15.198 -2.722 -4.424 1.00 0.00 O ATOM 580 CB THR A 204 -18.240 -4.007 -5.042 1.00 0.00 C ATOM 581 OG1 THR A 204 -19.227 -4.385 -6.007 1.00 0.00 O ATOM 582 CG2 THR A 204 -18.655 -2.733 -4.322 1.00 0.00 C ATOM 0 H THR A 204 -17.402 -5.622 -6.654 1.00 0.00 H new ATOM 0 HA THR A 204 -16.864 -2.932 -6.358 1.00 0.00 H new ATOM 0 HB THR A 204 -18.151 -4.798 -4.297 1.00 0.00 H new ATOM 0 HG1 THR A 204 -20.092 -4.503 -5.561 1.00 0.00 H new ATOM 0 HG21 THR A 204 -19.620 -2.886 -3.838 1.00 0.00 H new ATOM 0 HG22 THR A 204 -17.908 -2.480 -3.570 1.00 0.00 H new ATOM 0 HG23 THR A 204 -18.735 -1.918 -5.041 1.00 0.00 H new ATOM 590 N ASP A 205 -15.724 -4.843 -3.916 1.00 0.00 N ATOM 591 CA ASP A 205 -14.847 -4.919 -2.774 1.00 0.00 C ATOM 592 C ASP A 205 -13.404 -4.803 -3.210 1.00 0.00 C ATOM 593 O ASP A 205 -12.626 -4.116 -2.574 1.00 0.00 O ATOM 594 CB ASP A 205 -15.060 -6.236 -2.041 1.00 0.00 C ATOM 595 CG ASP A 205 -14.313 -6.310 -0.738 1.00 0.00 C ATOM 596 OD1 ASP A 205 -14.716 -5.635 0.227 1.00 0.00 O ATOM 597 OD2 ASP A 205 -13.337 -7.065 -0.661 1.00 0.00 O ATOM 0 H ASP A 205 -16.223 -5.709 -4.119 1.00 0.00 H new ATOM 0 HA ASP A 205 -15.079 -4.093 -2.102 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -16.125 -6.372 -1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -14.743 -7.058 -2.683 1.00 0.00 H new ATOM 602 N ILE A 206 -13.067 -5.452 -4.322 1.00 0.00 N ATOM 603 CA ILE A 206 -11.686 -5.520 -4.782 1.00 0.00 C ATOM 604 C ILE A 206 -11.223 -4.199 -5.383 1.00 0.00 C ATOM 605 O ILE A 206 -10.093 -3.775 -5.156 1.00 0.00 O ATOM 606 CB ILE A 206 -11.504 -6.660 -5.795 1.00 0.00 C ATOM 607 CG1 ILE A 206 -12.105 -7.930 -5.206 1.00 0.00 C ATOM 608 CG2 ILE A 206 -10.028 -6.869 -6.088 1.00 0.00 C ATOM 609 CD1 ILE A 206 -12.562 -8.942 -6.221 1.00 0.00 C ATOM 0 H ILE A 206 -13.734 -5.939 -4.921 1.00 0.00 H new ATOM 0 HA ILE A 206 -11.065 -5.723 -3.909 1.00 0.00 H new ATOM 0 HB ILE A 206 -12.006 -6.409 -6.729 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -11.366 -8.397 -4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -12.954 -7.657 -4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -9.911 -7.680 -6.807 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -9.606 -5.953 -6.502 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -9.507 -7.125 -5.166 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -12.975 -9.811 -5.708 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -13.328 -8.499 -6.858 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -11.715 -9.251 -6.834 1.00 0.00 H new ATOM 621 N LYS A 207 -12.096 -3.543 -6.139 1.00 0.00 N ATOM 622 CA LYS A 207 -11.804 -2.202 -6.628 1.00 0.00 C ATOM 623 C LYS A 207 -11.616 -1.288 -5.432 1.00 0.00 C ATOM 624 O LYS A 207 -10.650 -0.544 -5.371 1.00 0.00 O ATOM 625 CB LYS A 207 -12.920 -1.710 -7.574 1.00 0.00 C ATOM 626 CG LYS A 207 -14.214 -1.307 -6.879 1.00 0.00 C ATOM 627 CD LYS A 207 -15.435 -1.443 -7.785 1.00 0.00 C ATOM 628 CE LYS A 207 -15.580 -0.299 -8.772 1.00 0.00 C ATOM 629 NZ LYS A 207 -14.571 -0.337 -9.865 1.00 0.00 N ATOM 0 H LYS A 207 -13.003 -3.914 -6.424 1.00 0.00 H new ATOM 0 HA LYS A 207 -10.886 -2.203 -7.215 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -12.547 -0.857 -8.140 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -13.141 -2.498 -8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -14.354 -1.926 -5.992 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -14.133 -0.275 -6.538 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -15.368 -2.382 -8.335 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -16.332 -1.498 -7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -16.579 -0.327 -9.207 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -15.492 0.647 -8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -14.986 0.056 -10.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -13.741 0.227 -9.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -14.280 -1.321 -10.035 1.00 0.00 H new ATOM 643 N ALA A 208 -12.495 -1.414 -4.446 1.00 0.00 N ATOM 644 CA ALA A 208 -12.376 -0.639 -3.223 1.00 0.00 C ATOM 645 C ALA A 208 -11.085 -0.986 -2.486 1.00 0.00 C ATOM 646 O ALA A 208 -10.459 -0.113 -1.885 1.00 0.00 O ATOM 647 CB ALA A 208 -13.586 -0.851 -2.331 1.00 0.00 C ATOM 0 H ALA A 208 -13.296 -2.045 -4.471 1.00 0.00 H new ATOM 0 HA ALA A 208 -12.337 0.417 -3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -13.475 -0.261 -1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -14.487 -0.538 -2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -13.666 -1.907 -2.071 1.00 0.00 H new ATOM 653 N MET A 209 -10.683 -2.259 -2.548 1.00 0.00 N ATOM 654 CA MET A 209 -9.409 -2.680 -1.979 1.00 0.00 C ATOM 655 C MET A 209 -8.300 -1.885 -2.625 1.00 0.00 C ATOM 656 O MET A 209 -7.546 -1.220 -1.945 1.00 0.00 O ATOM 657 CB MET A 209 -9.096 -4.164 -2.216 1.00 0.00 C ATOM 658 CG MET A 209 -10.108 -5.163 -1.691 1.00 0.00 C ATOM 659 SD MET A 209 -9.451 -6.844 -1.758 1.00 0.00 S ATOM 660 CE MET A 209 -10.912 -7.786 -2.166 1.00 0.00 C ATOM 0 H MET A 209 -11.221 -3.008 -2.984 1.00 0.00 H new ATOM 0 HA MET A 209 -9.480 -2.513 -0.904 1.00 0.00 H new ATOM 0 HB2 MET A 209 -8.986 -4.322 -3.289 1.00 0.00 H new ATOM 0 HB3 MET A 209 -8.131 -4.386 -1.761 1.00 0.00 H new ATOM 0 HG2 MET A 209 -10.373 -4.913 -0.664 1.00 0.00 H new ATOM 0 HG3 MET A 209 -11.023 -5.103 -2.280 1.00 0.00 H new ATOM 0 HE1 MET A 209 -10.634 -8.638 -2.786 1.00 0.00 H new ATOM 0 HE2 MET A 209 -11.383 -8.142 -1.250 1.00 0.00 H new ATOM 0 HE3 MET A 209 -11.612 -7.153 -2.712 1.00 0.00 H new ATOM 670 N GLU A 210 -8.251 -1.935 -3.955 1.00 0.00 N ATOM 671 CA GLU A 210 -7.187 -1.298 -4.733 1.00 0.00 C ATOM 672 C GLU A 210 -7.009 0.170 -4.368 1.00 0.00 C ATOM 673 O GLU A 210 -5.898 0.689 -4.408 1.00 0.00 O ATOM 674 CB GLU A 210 -7.478 -1.419 -6.229 1.00 0.00 C ATOM 675 CG GLU A 210 -7.557 -2.852 -6.721 1.00 0.00 C ATOM 676 CD GLU A 210 -7.905 -2.943 -8.191 1.00 0.00 C ATOM 677 OE1 GLU A 210 -9.066 -2.659 -8.549 1.00 0.00 O ATOM 678 OE2 GLU A 210 -7.023 -3.309 -8.996 1.00 0.00 O ATOM 0 H GLU A 210 -8.946 -2.417 -4.524 1.00 0.00 H new ATOM 0 HA GLU A 210 -6.260 -1.819 -4.493 1.00 0.00 H new ATOM 0 HB2 GLU A 210 -8.420 -0.916 -6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 210 -6.700 -0.896 -6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 210 -6.601 -3.346 -6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 210 -8.305 -3.391 -6.140 1.00 0.00 H new ATOM 685 N ARG A 211 -8.097 0.830 -4.003 1.00 0.00 N ATOM 686 CA ARG A 211 -8.038 2.246 -3.644 1.00 0.00 C ATOM 687 C ARG A 211 -7.292 2.410 -2.321 1.00 0.00 C ATOM 688 O ARG A 211 -6.344 3.196 -2.192 1.00 0.00 O ATOM 689 CB ARG A 211 -9.448 2.840 -3.509 1.00 0.00 C ATOM 690 CG ARG A 211 -10.502 2.231 -4.432 1.00 0.00 C ATOM 691 CD ARG A 211 -10.038 2.140 -5.887 1.00 0.00 C ATOM 692 NE ARG A 211 -9.774 3.452 -6.477 1.00 0.00 N ATOM 693 CZ ARG A 211 -9.803 3.700 -7.783 1.00 0.00 C ATOM 694 NH1 ARG A 211 -10.118 2.735 -8.638 1.00 0.00 N ATOM 695 NH2 ARG A 211 -9.512 4.913 -8.236 1.00 0.00 N ATOM 0 H ARG A 211 -9.027 0.415 -3.946 1.00 0.00 H new ATOM 0 HA ARG A 211 -7.512 2.777 -4.437 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -9.778 2.719 -2.477 1.00 0.00 H new ATOM 0 HB3 ARG A 211 -9.394 3.911 -3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -10.758 1.234 -4.075 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -11.411 2.830 -4.383 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -9.133 1.534 -5.939 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -10.799 1.628 -6.476 1.00 0.00 H new ATOM 0 HE ARG A 211 -9.554 4.224 -5.848 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -10.339 1.801 -8.294 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -10.140 2.928 -9.639 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -9.266 5.656 -7.582 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -9.535 5.102 -9.238 1.00 0.00 H new ATOM 709 N VAL A 212 -7.722 1.639 -1.343 1.00 0.00 N ATOM 710 CA VAL A 212 -7.086 1.631 -0.039 1.00 0.00 C ATOM 711 C VAL A 212 -5.663 1.101 -0.159 1.00 0.00 C ATOM 712 O VAL A 212 -4.778 1.510 0.570 1.00 0.00 O ATOM 713 CB VAL A 212 -7.873 0.757 0.959 1.00 0.00 C ATOM 714 CG1 VAL A 212 -7.375 0.971 2.381 1.00 0.00 C ATOM 715 CG2 VAL A 212 -9.364 1.041 0.858 1.00 0.00 C ATOM 0 H VAL A 212 -8.516 1.004 -1.427 1.00 0.00 H new ATOM 0 HA VAL A 212 -7.070 2.655 0.333 1.00 0.00 H new ATOM 0 HB VAL A 212 -7.706 -0.289 0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 212 -7.946 0.343 3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 212 -6.320 0.706 2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 212 -7.502 2.018 2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 212 -9.903 0.415 1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 212 -9.551 2.091 1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 212 -9.709 0.821 -0.152 1.00 0.00 H new ATOM 725 N VAL A 213 -5.482 0.185 -1.093 1.00 0.00 N ATOM 726 CA VAL A 213 -4.203 -0.460 -1.358 1.00 0.00 C ATOM 727 C VAL A 213 -3.197 0.495 -1.985 1.00 0.00 C ATOM 728 O VAL A 213 -2.025 0.487 -1.605 1.00 0.00 O ATOM 729 CB VAL A 213 -4.396 -1.681 -2.280 1.00 0.00 C ATOM 730 CG1 VAL A 213 -3.084 -2.113 -2.897 1.00 0.00 C ATOM 731 CG2 VAL A 213 -5.009 -2.833 -1.509 1.00 0.00 C ATOM 0 H VAL A 213 -6.233 -0.140 -1.702 1.00 0.00 H new ATOM 0 HA VAL A 213 -3.805 -0.783 -0.396 1.00 0.00 H new ATOM 0 HB VAL A 213 -5.072 -1.389 -3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 213 -3.252 -2.976 -3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 213 -2.672 -1.294 -3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 213 -2.382 -2.381 -2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 213 -5.139 -3.687 -2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 213 -4.351 -3.111 -0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -5.978 -2.531 -1.113 1.00 0.00 H new ATOM 741 N GLU A 214 -3.631 1.311 -2.942 1.00 0.00 N ATOM 742 CA GLU A 214 -2.718 2.255 -3.565 1.00 0.00 C ATOM 743 C GLU A 214 -2.161 3.199 -2.510 1.00 0.00 C ATOM 744 O GLU A 214 -0.964 3.457 -2.474 1.00 0.00 O ATOM 745 CB GLU A 214 -3.370 3.023 -4.729 1.00 0.00 C ATOM 746 CG GLU A 214 -4.561 3.876 -4.341 1.00 0.00 C ATOM 747 CD GLU A 214 -5.151 4.618 -5.522 1.00 0.00 C ATOM 748 OE1 GLU A 214 -5.968 4.030 -6.253 1.00 0.00 O ATOM 749 OE2 GLU A 214 -4.785 5.794 -5.731 1.00 0.00 O ATOM 0 H GLU A 214 -4.588 1.336 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 214 -1.895 1.691 -4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 214 -2.618 3.663 -5.190 1.00 0.00 H new ATOM 0 HB3 GLU A 214 -3.686 2.306 -5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 214 -5.327 3.243 -3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 214 -4.257 4.594 -3.580 1.00 0.00 H new ATOM 756 N GLN A 215 -3.020 3.669 -1.615 1.00 0.00 N ATOM 757 CA GLN A 215 -2.553 4.466 -0.487 1.00 0.00 C ATOM 758 C GLN A 215 -1.856 3.592 0.553 1.00 0.00 C ATOM 759 O GLN A 215 -0.966 4.055 1.241 1.00 0.00 O ATOM 760 CB GLN A 215 -3.717 5.231 0.141 1.00 0.00 C ATOM 761 CG GLN A 215 -4.193 6.404 -0.701 1.00 0.00 C ATOM 762 CD GLN A 215 -3.195 7.548 -0.726 1.00 0.00 C ATOM 763 OE1 GLN A 215 -3.236 8.439 0.125 1.00 0.00 O ATOM 764 NE2 GLN A 215 -2.298 7.546 -1.702 1.00 0.00 N ATOM 0 H GLN A 215 -4.028 3.516 -1.645 1.00 0.00 H new ATOM 0 HA GLN A 215 -1.824 5.186 -0.858 1.00 0.00 H new ATOM 0 HB2 GLN A 215 -4.549 4.545 0.299 1.00 0.00 H new ATOM 0 HB3 GLN A 215 -3.414 5.597 1.122 1.00 0.00 H new ATOM 0 HG2 GLN A 215 -4.376 6.064 -1.720 1.00 0.00 H new ATOM 0 HG3 GLN A 215 -5.144 6.765 -0.310 1.00 0.00 H new ATOM 0 HE21 GLN A 215 -2.294 6.792 -2.389 1.00 0.00 H new ATOM 0 HE22 GLN A 215 -1.612 8.298 -1.766 1.00 0.00 H new ATOM 773 N MET A 216 -2.248 2.326 0.646 1.00 0.00 N ATOM 774 CA MET A 216 -1.660 1.402 1.617 1.00 0.00 C ATOM 775 C MET A 216 -0.184 1.207 1.334 1.00 0.00 C ATOM 776 O MET A 216 0.659 1.385 2.209 1.00 0.00 O ATOM 777 CB MET A 216 -2.384 0.039 1.600 1.00 0.00 C ATOM 778 CG MET A 216 -1.881 -0.949 2.649 1.00 0.00 C ATOM 779 SD MET A 216 -2.888 -2.451 2.772 1.00 0.00 S ATOM 780 CE MET A 216 -2.488 -3.316 1.249 1.00 0.00 C ATOM 0 H MET A 216 -2.973 1.912 0.060 1.00 0.00 H new ATOM 0 HA MET A 216 -1.779 1.840 2.608 1.00 0.00 H new ATOM 0 HB2 MET A 216 -3.450 0.205 1.755 1.00 0.00 H new ATOM 0 HB3 MET A 216 -2.271 -0.408 0.612 1.00 0.00 H new ATOM 0 HG2 MET A 216 -0.855 -1.228 2.411 1.00 0.00 H new ATOM 0 HG3 MET A 216 -1.860 -0.455 3.621 1.00 0.00 H new ATOM 0 HE1 MET A 216 -3.222 -4.103 1.074 1.00 0.00 H new ATOM 0 HE2 MET A 216 -2.504 -2.613 0.416 1.00 0.00 H new ATOM 0 HE3 MET A 216 -1.495 -3.758 1.331 1.00 0.00 H new ATOM 790 N CYS A 217 0.120 0.883 0.097 1.00 0.00 N ATOM 791 CA CYS A 217 1.484 0.604 -0.299 1.00 0.00 C ATOM 792 C CYS A 217 2.277 1.894 -0.429 1.00 0.00 C ATOM 793 O CYS A 217 3.396 1.990 0.059 1.00 0.00 O ATOM 794 CB CYS A 217 1.517 -0.167 -1.614 1.00 0.00 C ATOM 795 SG CYS A 217 3.081 -1.049 -1.879 1.00 0.00 S ATOM 0 H CYS A 217 -0.563 0.806 -0.657 1.00 0.00 H new ATOM 0 HA CYS A 217 1.942 -0.011 0.475 1.00 0.00 H new ATOM 0 HB2 CYS A 217 0.695 -0.883 -1.630 1.00 0.00 H new ATOM 0 HB3 CYS A 217 1.352 0.526 -2.439 1.00 0.00 H new ATOM 800 N ILE A 218 1.677 2.887 -1.067 1.00 0.00 N ATOM 801 CA ILE A 218 2.304 4.189 -1.228 1.00 0.00 C ATOM 802 C ILE A 218 2.626 4.798 0.132 1.00 0.00 C ATOM 803 O ILE A 218 3.695 5.361 0.322 1.00 0.00 O ATOM 804 CB ILE A 218 1.403 5.128 -2.071 1.00 0.00 C ATOM 805 CG1 ILE A 218 1.529 4.765 -3.547 1.00 0.00 C ATOM 806 CG2 ILE A 218 1.738 6.589 -1.868 1.00 0.00 C ATOM 807 CD1 ILE A 218 0.657 5.597 -4.466 1.00 0.00 C ATOM 0 H ILE A 218 0.749 2.814 -1.485 1.00 0.00 H new ATOM 0 HA ILE A 218 3.243 4.060 -1.766 1.00 0.00 H new ATOM 0 HB ILE A 218 0.376 4.986 -1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 218 2.570 4.879 -3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 218 1.273 3.713 -3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 218 1.078 7.202 -2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 218 1.605 6.850 -0.818 1.00 0.00 H new ATOM 0 HG23 ILE A 218 2.773 6.769 -2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 218 0.805 5.276 -5.497 1.00 0.00 H new ATOM 0 HD12 ILE A 218 -0.390 5.465 -4.192 1.00 0.00 H new ATOM 0 HD13 ILE A 218 0.927 6.649 -4.371 1.00 0.00 H new ATOM 819 N THR A 219 1.708 4.661 1.080 1.00 0.00 N ATOM 820 CA THR A 219 1.958 5.073 2.457 1.00 0.00 C ATOM 821 C THR A 219 3.124 4.300 3.087 1.00 0.00 C ATOM 822 O THR A 219 3.980 4.891 3.746 1.00 0.00 O ATOM 823 CB THR A 219 0.683 4.920 3.318 1.00 0.00 C ATOM 824 OG1 THR A 219 -0.182 6.044 3.110 1.00 0.00 O ATOM 825 CG2 THR A 219 1.005 4.787 4.797 1.00 0.00 C ATOM 0 H THR A 219 0.781 4.267 0.921 1.00 0.00 H new ATOM 0 HA THR A 219 2.239 6.126 2.429 1.00 0.00 H new ATOM 0 HB THR A 219 0.184 4.003 3.005 1.00 0.00 H new ATOM 0 HG1 THR A 219 -0.812 5.843 2.386 1.00 0.00 H new ATOM 0 HG21 THR A 219 0.079 4.682 5.363 1.00 0.00 H new ATOM 0 HG22 THR A 219 1.629 3.908 4.956 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.538 5.676 5.135 1.00 0.00 H new ATOM 833 N GLN A 220 3.169 2.993 2.875 1.00 0.00 N ATOM 834 CA GLN A 220 4.243 2.171 3.436 1.00 0.00 C ATOM 835 C GLN A 220 5.582 2.529 2.805 1.00 0.00 C ATOM 836 O GLN A 220 6.624 2.516 3.461 1.00 0.00 O ATOM 837 CB GLN A 220 3.956 0.682 3.247 1.00 0.00 C ATOM 838 CG GLN A 220 2.752 0.194 4.032 1.00 0.00 C ATOM 839 CD GLN A 220 2.878 0.449 5.521 1.00 0.00 C ATOM 840 OE1 GLN A 220 3.375 -0.391 6.266 1.00 0.00 O ATOM 841 NE2 GLN A 220 2.425 1.610 5.965 1.00 0.00 N ATOM 0 H GLN A 220 2.483 2.478 2.324 1.00 0.00 H new ATOM 0 HA GLN A 220 4.292 2.377 4.505 1.00 0.00 H new ATOM 0 HB2 GLN A 220 3.794 0.483 2.188 1.00 0.00 H new ATOM 0 HB3 GLN A 220 4.833 0.110 3.549 1.00 0.00 H new ATOM 0 HG2 GLN A 220 1.856 0.689 3.658 1.00 0.00 H new ATOM 0 HG3 GLN A 220 2.621 -0.875 3.861 1.00 0.00 H new ATOM 0 HE21 GLN A 220 2.019 2.282 5.314 1.00 0.00 H new ATOM 0 HE22 GLN A 220 2.482 1.833 6.959 1.00 0.00 H new ATOM 850 N TYR A 221 5.545 2.867 1.536 1.00 0.00 N ATOM 851 CA TYR A 221 6.741 3.281 0.830 1.00 0.00 C ATOM 852 C TYR A 221 7.118 4.717 1.210 1.00 0.00 C ATOM 853 O TYR A 221 8.294 5.091 1.182 1.00 0.00 O ATOM 854 CB TYR A 221 6.526 3.080 -0.672 1.00 0.00 C ATOM 855 CG TYR A 221 6.796 1.653 -1.107 1.00 0.00 C ATOM 856 CD1 TYR A 221 6.110 0.590 -0.533 1.00 0.00 C ATOM 857 CD2 TYR A 221 7.740 1.369 -2.085 1.00 0.00 C ATOM 858 CE1 TYR A 221 6.357 -0.711 -0.916 1.00 0.00 C ATOM 859 CE2 TYR A 221 7.991 0.067 -2.477 1.00 0.00 C ATOM 860 CZ TYR A 221 7.296 -0.968 -1.888 1.00 0.00 C ATOM 861 OH TYR A 221 7.544 -2.268 -2.268 1.00 0.00 O ATOM 0 H TYR A 221 4.698 2.864 0.968 1.00 0.00 H new ATOM 0 HA TYR A 221 7.592 2.666 1.121 1.00 0.00 H new ATOM 0 HB2 TYR A 221 5.501 3.348 -0.929 1.00 0.00 H new ATOM 0 HB3 TYR A 221 7.180 3.755 -1.224 1.00 0.00 H new ATOM 0 HD1 TYR A 221 5.369 0.787 0.228 1.00 0.00 H new ATOM 0 HD2 TYR A 221 8.287 2.178 -2.547 1.00 0.00 H new ATOM 0 HE1 TYR A 221 5.816 -1.524 -0.455 1.00 0.00 H new ATOM 0 HE2 TYR A 221 8.727 -0.138 -3.240 1.00 0.00 H new ATOM 0 HH TYR A 221 8.233 -2.279 -2.965 1.00 0.00 H new ATOM 871 N GLN A 222 6.123 5.513 1.604 1.00 0.00 N ATOM 872 CA GLN A 222 6.388 6.798 2.249 1.00 0.00 C ATOM 873 C GLN A 222 7.039 6.570 3.610 1.00 0.00 C ATOM 874 O GLN A 222 7.871 7.360 4.052 1.00 0.00 O ATOM 875 CB GLN A 222 5.107 7.618 2.430 1.00 0.00 C ATOM 876 CG GLN A 222 4.525 8.156 1.136 1.00 0.00 C ATOM 877 CD GLN A 222 3.354 9.091 1.378 1.00 0.00 C ATOM 878 OE1 GLN A 222 3.294 9.778 2.395 1.00 0.00 O ATOM 879 NE2 GLN A 222 2.415 9.120 0.447 1.00 0.00 N ATOM 0 H GLN A 222 5.134 5.292 1.489 1.00 0.00 H new ATOM 0 HA GLN A 222 7.061 7.359 1.601 1.00 0.00 H new ATOM 0 HB2 GLN A 222 4.358 6.997 2.922 1.00 0.00 H new ATOM 0 HB3 GLN A 222 5.316 8.454 3.097 1.00 0.00 H new ATOM 0 HG2 GLN A 222 5.301 8.685 0.583 1.00 0.00 H new ATOM 0 HG3 GLN A 222 4.200 7.323 0.512 1.00 0.00 H new ATOM 0 HE21 GLN A 222 2.502 8.534 -0.383 1.00 0.00 H new ATOM 0 HE22 GLN A 222 1.604 9.728 0.559 1.00 0.00 H new ATOM 888 N ARG A 223 6.657 5.477 4.269 1.00 0.00 N ATOM 889 CA ARG A 223 7.275 5.084 5.531 1.00 0.00 C ATOM 890 C ARG A 223 8.770 4.885 5.335 1.00 0.00 C ATOM 891 O ARG A 223 9.565 5.202 6.215 1.00 0.00 O ATOM 892 CB ARG A 223 6.617 3.809 6.088 1.00 0.00 C ATOM 893 CG ARG A 223 7.448 3.079 7.135 1.00 0.00 C ATOM 894 CD ARG A 223 8.280 1.964 6.512 1.00 0.00 C ATOM 895 NE ARG A 223 9.029 1.208 7.515 1.00 0.00 N ATOM 896 CZ ARG A 223 10.224 0.662 7.297 1.00 0.00 C ATOM 897 NH1 ARG A 223 10.804 0.775 6.108 1.00 0.00 N ATOM 898 NH2 ARG A 223 10.832 -0.008 8.271 1.00 0.00 N ATOM 0 H ARG A 223 5.921 4.848 3.948 1.00 0.00 H new ATOM 0 HA ARG A 223 7.123 5.880 6.260 1.00 0.00 H new ATOM 0 HB2 ARG A 223 5.654 4.073 6.525 1.00 0.00 H new ATOM 0 HB3 ARG A 223 6.416 3.128 5.261 1.00 0.00 H new ATOM 0 HG2 ARG A 223 8.106 3.788 7.637 1.00 0.00 H new ATOM 0 HG3 ARG A 223 6.790 2.661 7.896 1.00 0.00 H new ATOM 0 HD2 ARG A 223 7.625 1.287 5.964 1.00 0.00 H new ATOM 0 HD3 ARG A 223 8.974 2.392 5.789 1.00 0.00 H new ATOM 0 HE ARG A 223 8.611 1.092 8.438 1.00 0.00 H new ATOM 0 HH11 ARG A 223 10.334 1.281 5.357 1.00 0.00 H new ATOM 0 HH12 ARG A 223 11.719 0.355 5.945 1.00 0.00 H new ATOM 0 HH21 ARG A 223 10.383 -0.103 9.182 1.00 0.00 H new ATOM 0 HH22 ARG A 223 11.747 -0.427 8.107 1.00 0.00 H new ATOM 912 N GLU A 224 9.152 4.365 4.178 1.00 0.00 N ATOM 913 CA GLU A 224 10.564 4.246 3.855 1.00 0.00 C ATOM 914 C GLU A 224 11.199 5.623 3.761 1.00 0.00 C ATOM 915 O GLU A 224 12.278 5.870 4.297 1.00 0.00 O ATOM 916 CB GLU A 224 10.796 3.541 2.525 1.00 0.00 C ATOM 917 CG GLU A 224 12.252 3.167 2.361 1.00 0.00 C ATOM 918 CD GLU A 224 12.638 1.960 3.194 1.00 0.00 C ATOM 919 OE1 GLU A 224 12.253 0.829 2.831 1.00 0.00 O ATOM 920 OE2 GLU A 224 13.316 2.141 4.224 1.00 0.00 O ATOM 0 H GLU A 224 8.515 4.024 3.458 1.00 0.00 H new ATOM 0 HA GLU A 224 11.014 3.657 4.654 1.00 0.00 H new ATOM 0 HB2 GLU A 224 10.178 2.645 2.471 1.00 0.00 H new ATOM 0 HB3 GLU A 224 10.488 4.191 1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 224 12.454 2.959 1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 224 12.876 4.015 2.644 1.00 0.00 H new ATOM 927 N SER A 225 10.533 6.526 3.067 1.00 0.00 N ATOM 928 CA SER A 225 11.083 7.848 2.873 1.00 0.00 C ATOM 929 C SER A 225 11.202 8.586 4.201 1.00 0.00 C ATOM 930 O SER A 225 12.132 9.357 4.388 1.00 0.00 O ATOM 931 CB SER A 225 10.250 8.651 1.872 1.00 0.00 C ATOM 932 OG SER A 225 9.003 9.043 2.412 1.00 0.00 O ATOM 0 H SER A 225 9.623 6.369 2.634 1.00 0.00 H new ATOM 0 HA SER A 225 12.085 7.737 2.457 1.00 0.00 H new ATOM 0 HB2 SER A 225 10.807 9.537 1.566 1.00 0.00 H new ATOM 0 HB3 SER A 225 10.085 8.053 0.976 1.00 0.00 H new ATOM 0 HG SER A 225 8.746 8.423 3.126 1.00 0.00 H new ATOM 938 N GLN A 226 10.256 8.362 5.111 1.00 0.00 N ATOM 939 CA GLN A 226 10.345 8.934 6.450 1.00 0.00 C ATOM 940 C GLN A 226 11.435 8.225 7.248 1.00 0.00 C ATOM 941 O GLN A 226 12.078 8.826 8.107 1.00 0.00 O ATOM 942 CB GLN A 226 8.988 8.878 7.178 1.00 0.00 C ATOM 943 CG GLN A 226 8.624 7.528 7.783 1.00 0.00 C ATOM 944 CD GLN A 226 8.833 7.472 9.290 1.00 0.00 C ATOM 945 OE1 GLN A 226 7.928 7.787 10.064 1.00 0.00 O ATOM 946 NE2 GLN A 226 10.022 7.072 9.719 1.00 0.00 N ATOM 0 H GLN A 226 9.426 7.793 4.946 1.00 0.00 H new ATOM 0 HA GLN A 226 10.613 9.987 6.359 1.00 0.00 H new ATOM 0 HB2 GLN A 226 8.991 9.624 7.973 1.00 0.00 H new ATOM 0 HB3 GLN A 226 8.206 9.164 6.475 1.00 0.00 H new ATOM 0 HG2 GLN A 226 7.581 7.306 7.559 1.00 0.00 H new ATOM 0 HG3 GLN A 226 9.224 6.751 7.310 1.00 0.00 H new ATOM 0 HE21 GLN A 226 10.748 6.819 9.048 1.00 0.00 H new ATOM 0 HE22 GLN A 226 10.211 7.017 10.720 1.00 0.00 H new ATOM 955 N ALA A 227 11.631 6.939 6.948 1.00 0.00 N ATOM 956 CA ALA A 227 12.643 6.124 7.617 1.00 0.00 C ATOM 957 C ALA A 227 14.019 6.788 7.568 1.00 0.00 C ATOM 958 O ALA A 227 14.664 6.952 8.601 1.00 0.00 O ATOM 959 CB ALA A 227 12.697 4.727 7.006 1.00 0.00 C ATOM 0 H ALA A 227 11.096 6.438 6.239 1.00 0.00 H new ATOM 0 HA ALA A 227 12.357 6.034 8.665 1.00 0.00 H new ATOM 0 HB1 ALA A 227 13.456 4.135 7.517 1.00 0.00 H new ATOM 0 HB2 ALA A 227 11.726 4.244 7.116 1.00 0.00 H new ATOM 0 HB3 ALA A 227 12.947 4.802 5.948 1.00 0.00 H new ATOM 965 N TYR A 228 14.479 7.166 6.377 1.00 0.00 N ATOM 966 CA TYR A 228 15.737 7.908 6.278 1.00 0.00 C ATOM 967 C TYR A 228 15.487 9.410 6.371 1.00 0.00 C ATOM 968 O TYR A 228 16.368 10.179 6.754 1.00 0.00 O ATOM 969 CB TYR A 228 16.487 7.584 4.976 1.00 0.00 C ATOM 970 CG TYR A 228 17.853 8.245 4.869 1.00 0.00 C ATOM 971 CD1 TYR A 228 17.988 9.541 4.385 1.00 0.00 C ATOM 972 CD2 TYR A 228 19.003 7.573 5.252 1.00 0.00 C ATOM 973 CE1 TYR A 228 19.227 10.145 4.287 1.00 0.00 C ATOM 974 CE2 TYR A 228 20.246 8.171 5.158 1.00 0.00 C ATOM 975 CZ TYR A 228 20.353 9.458 4.676 1.00 0.00 C ATOM 976 OH TYR A 228 21.590 10.055 4.581 1.00 0.00 O ATOM 0 H TYR A 228 14.015 6.978 5.488 1.00 0.00 H new ATOM 0 HA TYR A 228 16.361 7.597 7.116 1.00 0.00 H new ATOM 0 HB2 TYR A 228 16.610 6.504 4.899 1.00 0.00 H new ATOM 0 HB3 TYR A 228 15.876 7.896 4.129 1.00 0.00 H new ATOM 0 HD1 TYR A 228 17.107 10.087 4.080 1.00 0.00 H new ATOM 0 HD2 TYR A 228 18.927 6.564 5.631 1.00 0.00 H new ATOM 0 HE1 TYR A 228 19.311 11.152 3.907 1.00 0.00 H new ATOM 0 HE2 TYR A 228 21.131 7.631 5.461 1.00 0.00 H new ATOM 0 HH TYR A 228 22.278 9.434 4.898 1.00 0.00 H new ATOM 986 N TYR A 229 14.263 9.791 6.029 1.00 0.00 N ATOM 987 CA TYR A 229 13.843 11.186 5.897 1.00 0.00 C ATOM 988 C TYR A 229 14.371 11.756 4.583 1.00 0.00 C ATOM 989 O TYR A 229 14.695 12.939 4.474 1.00 0.00 O ATOM 990 CB TYR A 229 14.259 12.049 7.097 1.00 0.00 C ATOM 991 CG TYR A 229 13.395 13.280 7.257 1.00 0.00 C ATOM 992 CD1 TYR A 229 12.068 13.159 7.645 1.00 0.00 C ATOM 993 CD2 TYR A 229 13.894 14.554 7.012 1.00 0.00 C ATOM 994 CE1 TYR A 229 11.262 14.270 7.782 1.00 0.00 C ATOM 995 CE2 TYR A 229 13.092 15.671 7.152 1.00 0.00 C ATOM 996 CZ TYR A 229 11.777 15.522 7.535 1.00 0.00 C ATOM 997 OH TYR A 229 10.972 16.628 7.669 1.00 0.00 O ATOM 0 H TYR A 229 13.515 9.126 5.831 1.00 0.00 H new ATOM 0 HA TYR A 229 12.753 11.208 5.884 1.00 0.00 H new ATOM 0 HB2 TYR A 229 14.204 11.451 8.006 1.00 0.00 H new ATOM 0 HB3 TYR A 229 15.299 12.353 6.978 1.00 0.00 H new ATOM 0 HD1 TYR A 229 11.660 12.179 7.843 1.00 0.00 H new ATOM 0 HD2 TYR A 229 14.923 14.673 6.708 1.00 0.00 H new ATOM 0 HE1 TYR A 229 10.231 14.158 8.082 1.00 0.00 H new ATOM 0 HE2 TYR A 229 13.494 16.655 6.962 1.00 0.00 H new ATOM 0 HH TYR A 229 11.487 17.435 7.460 1.00 0.00 H new