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 171 GLN : amide:sc= -0.415 K(o=-0.6,f=-3.7) USER MOD Set 1.2: A 174 ASN : amide:sc= -0.146 K(o=-0.6,f=-5.1) USER MOD Set 1.3: A 177 ASN : amide:sc= -0.042 K(o=-0.6,f=-3.1!) USER MOD Set 2.1: A 175 GLN : amide:sc= -0.0541 K(o=1.1,f=0.38) USER MOD Set 2.2: A 221 TYR OH : rot -5:sc= 1.12 USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 173 SER OG : rot 180:sc= -0.17 USER MOD Single : A 176 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 180 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-3!) USER MOD Single : A 184 ASN : amide:sc= -0.192 K(o=-0.19,f=-1.8!) USER MOD Single : A 186 THR OG1 : rot -101:sc= 0.00623 USER MOD Single : A 188 LYS NZ :NH3+ -160:sc= -0.0253 (180deg=-0.21) USER MOD Single : A 189 GLN : amide:sc= -2.17! K(o=-2.2!,f=-0.26) USER MOD Single : A 190 HIS : no HD1:sc= -0.258 K(o=-0.26,f=-5!) USER MOD Single : A 191 THR OG1 : rot -86:sc= 1.25 USER MOD Single : A 193 THR OG1 : rot 73:sc= 0.676 USER MOD Single : A 194 THR OG1 : rot 174:sc= 1.37 USER MOD Single : A 195 THR OG1 : rot 66:sc= 1.33 USER MOD Single : A 196 THR OG1 : rot -7:sc= 1.21 USER MOD Single : A 197 LYS NZ :NH3+ 153:sc= 1.47 (180deg=1.1) USER MOD Single : A 200 ASN : amide:sc=-0.00195 K(o=-0.0019,f=-0.89) USER MOD Single : A 202 THR OG1 : rot 80:sc= 0.581 USER MOD Single : A 204 THR OG1 : rot 180:sc= 0 USER MOD Single : A 207 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0881) USER MOD Single : A 209 MET CE :methyl -176:sc= -14.9! (180deg=-15.5!) USER MOD Single : A 215 GLN : amide:sc= -0.527 X(o=-0.53,f=-0.21) USER MOD Single : A 216 MET CE :methyl -151:sc= -3.58! (180deg=-6.81!) USER MOD Single : A 219 THR OG1 : rot 92:sc= 1.22 USER MOD Single : A 220 GLN : amide:sc= -1.15 K(o=-1.1,f=-0.12) USER MOD Single : A 222 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 225 SER OG : rot -71:sc= -0.2 USER MOD Single : A 226 GLN : amide:sc= -3.25! K(o=-3.3!,f=-1.2) 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 16.433 3.598 1.022 1.00 0.00 N ATOM 40 CA VAL A 169 15.155 4.236 0.757 1.00 0.00 C ATOM 41 C VAL A 169 15.010 4.499 -0.732 1.00 0.00 C ATOM 42 O VAL A 169 14.321 5.420 -1.164 1.00 0.00 O ATOM 43 CB VAL A 169 14.944 5.557 1.528 1.00 0.00 C ATOM 44 CG1 VAL A 169 15.073 5.361 3.030 1.00 0.00 C ATOM 45 CG2 VAL A 169 15.883 6.639 1.041 1.00 0.00 C ATOM 0 HA VAL A 169 14.392 3.541 1.109 1.00 0.00 H new ATOM 0 HB VAL A 169 13.924 5.883 1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 169 14.918 6.314 3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 169 14.325 4.644 3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 169 16.069 4.984 3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 169 15.707 7.555 1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 169 16.914 6.317 1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 169 15.705 6.826 -0.018 1.00 0.00 H new ATOM 55 N ASP A 170 15.667 3.676 -1.529 1.00 0.00 N ATOM 56 CA ASP A 170 15.587 3.803 -2.976 1.00 0.00 C ATOM 57 C ASP A 170 14.171 3.517 -3.471 1.00 0.00 C ATOM 58 O ASP A 170 13.910 3.555 -4.671 1.00 0.00 O ATOM 59 CB ASP A 170 16.581 2.862 -3.656 1.00 0.00 C ATOM 60 CG ASP A 170 16.303 1.405 -3.345 1.00 0.00 C ATOM 61 OD1 ASP A 170 16.612 0.970 -2.214 1.00 0.00 O ATOM 62 OD2 ASP A 170 15.786 0.689 -4.227 1.00 0.00 O ATOM 0 H ASP A 170 16.261 2.914 -1.202 1.00 0.00 H new ATOM 0 HA ASP A 170 15.843 4.830 -3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 170 16.542 3.014 -4.735 1.00 0.00 H new ATOM 0 HB3 ASP A 170 17.592 3.113 -3.335 1.00 0.00 H new ATOM 67 N GLN A 171 13.272 3.232 -2.536 1.00 0.00 N ATOM 68 CA GLN A 171 11.857 3.089 -2.829 1.00 0.00 C ATOM 69 C GLN A 171 11.324 4.405 -3.390 1.00 0.00 C ATOM 70 O GLN A 171 10.494 4.422 -4.300 1.00 0.00 O ATOM 71 CB GLN A 171 11.106 2.698 -1.551 1.00 0.00 C ATOM 72 CG GLN A 171 9.992 1.705 -1.785 1.00 0.00 C ATOM 73 CD GLN A 171 10.510 0.392 -2.349 1.00 0.00 C ATOM 74 OE1 GLN A 171 10.628 0.222 -3.565 1.00 0.00 O ATOM 75 NE2 GLN A 171 10.827 -0.546 -1.470 1.00 0.00 N ATOM 0 H GLN A 171 13.507 3.094 -1.553 1.00 0.00 H new ATOM 0 HA GLN A 171 11.706 2.305 -3.571 1.00 0.00 H new ATOM 0 HB2 GLN A 171 11.814 2.276 -0.838 1.00 0.00 H new ATOM 0 HB3 GLN A 171 10.691 3.596 -1.094 1.00 0.00 H new ATOM 0 HG2 GLN A 171 9.471 1.516 -0.846 1.00 0.00 H new ATOM 0 HG3 GLN A 171 9.263 2.133 -2.473 1.00 0.00 H new ATOM 0 HE21 GLN A 171 10.716 -0.368 -0.472 1.00 0.00 H new ATOM 0 HE22 GLN A 171 11.183 -1.446 -1.791 1.00 0.00 H new ATOM 84 N TYR A 172 11.839 5.505 -2.847 1.00 0.00 N ATOM 85 CA TYR A 172 11.522 6.839 -3.329 1.00 0.00 C ATOM 86 C TYR A 172 12.091 7.016 -4.727 1.00 0.00 C ATOM 87 O TYR A 172 11.427 7.509 -5.638 1.00 0.00 O ATOM 88 CB TYR A 172 12.128 7.881 -2.377 1.00 0.00 C ATOM 89 CG TYR A 172 11.954 9.329 -2.791 1.00 0.00 C ATOM 90 CD1 TYR A 172 10.749 9.990 -2.601 1.00 0.00 C ATOM 91 CD2 TYR A 172 13.010 10.043 -3.349 1.00 0.00 C ATOM 92 CE1 TYR A 172 10.595 11.317 -2.960 1.00 0.00 C ATOM 93 CE2 TYR A 172 12.867 11.370 -3.704 1.00 0.00 C ATOM 94 CZ TYR A 172 11.657 12.003 -3.509 1.00 0.00 C ATOM 95 OH TYR A 172 11.512 13.327 -3.855 1.00 0.00 O ATOM 0 H TYR A 172 12.488 5.493 -2.060 1.00 0.00 H new ATOM 0 HA TYR A 172 10.441 6.974 -3.364 1.00 0.00 H new ATOM 0 HB2 TYR A 172 11.682 7.748 -1.391 1.00 0.00 H new ATOM 0 HB3 TYR A 172 13.194 7.677 -2.275 1.00 0.00 H new ATOM 0 HD1 TYR A 172 9.916 9.459 -2.165 1.00 0.00 H new ATOM 0 HD2 TYR A 172 13.958 9.551 -3.507 1.00 0.00 H new ATOM 0 HE1 TYR A 172 9.647 11.813 -2.811 1.00 0.00 H new ATOM 0 HE2 TYR A 172 13.699 11.910 -4.132 1.00 0.00 H new ATOM 0 HH TYR A 172 12.354 13.662 -4.227 1.00 0.00 H new ATOM 105 N SER A 173 13.340 6.591 -4.863 1.00 0.00 N ATOM 106 CA SER A 173 14.065 6.634 -6.126 1.00 0.00 C ATOM 107 C SER A 173 13.300 5.938 -7.265 1.00 0.00 C ATOM 108 O SER A 173 13.250 6.453 -8.382 1.00 0.00 O ATOM 109 CB SER A 173 15.434 5.968 -5.942 1.00 0.00 C ATOM 110 OG SER A 173 16.177 6.574 -4.895 1.00 0.00 O ATOM 0 H SER A 173 13.884 6.203 -4.092 1.00 0.00 H new ATOM 0 HA SER A 173 14.182 7.681 -6.408 1.00 0.00 H new ATOM 0 HB2 SER A 173 15.297 4.909 -5.725 1.00 0.00 H new ATOM 0 HB3 SER A 173 15.998 6.032 -6.873 1.00 0.00 H new ATOM 0 HG SER A 173 17.043 6.123 -4.805 1.00 0.00 H new ATOM 116 N ASN A 174 12.702 4.778 -6.984 1.00 0.00 N ATOM 117 CA ASN A 174 12.076 3.963 -8.037 1.00 0.00 C ATOM 118 C ASN A 174 10.551 3.961 -7.908 1.00 0.00 C ATOM 119 O ASN A 174 9.876 3.068 -8.424 1.00 0.00 O ATOM 120 CB ASN A 174 12.633 2.519 -8.014 1.00 0.00 C ATOM 121 CG ASN A 174 11.970 1.601 -6.991 1.00 0.00 C ATOM 122 OD1 ASN A 174 11.042 0.860 -7.316 1.00 0.00 O ATOM 123 ND2 ASN A 174 12.446 1.628 -5.760 1.00 0.00 N ATOM 0 H ASN A 174 12.636 4.382 -6.047 1.00 0.00 H new ATOM 0 HA ASN A 174 12.325 4.412 -8.999 1.00 0.00 H new ATOM 0 HB2 ASN A 174 12.515 2.082 -9.006 1.00 0.00 H new ATOM 0 HB3 ASN A 174 13.703 2.559 -7.808 1.00 0.00 H new ATOM 0 HD21 ASN A 174 12.044 1.023 -5.044 1.00 0.00 H new ATOM 0 HD22 ASN A 174 13.216 2.254 -5.525 1.00 0.00 H new ATOM 130 N GLN A 175 10.018 5.003 -7.272 1.00 0.00 N ATOM 131 CA GLN A 175 8.605 5.050 -6.888 1.00 0.00 C ATOM 132 C GLN A 175 7.650 4.656 -8.020 1.00 0.00 C ATOM 133 O GLN A 175 6.671 3.972 -7.773 1.00 0.00 O ATOM 134 CB GLN A 175 8.210 6.437 -6.381 1.00 0.00 C ATOM 135 CG GLN A 175 6.863 6.426 -5.670 1.00 0.00 C ATOM 136 CD GLN A 175 6.225 7.795 -5.536 1.00 0.00 C ATOM 137 OE1 GLN A 175 6.905 8.818 -5.492 1.00 0.00 O ATOM 138 NE2 GLN A 175 4.901 7.810 -5.445 1.00 0.00 N ATOM 0 H GLN A 175 10.548 5.834 -7.009 1.00 0.00 H new ATOM 0 HA GLN A 175 8.506 4.313 -6.091 1.00 0.00 H new ATOM 0 HB2 GLN A 175 8.976 6.805 -5.699 1.00 0.00 H new ATOM 0 HB3 GLN A 175 8.171 7.131 -7.220 1.00 0.00 H new ATOM 0 HG2 GLN A 175 6.182 5.771 -6.214 1.00 0.00 H new ATOM 0 HG3 GLN A 175 6.992 5.998 -4.676 1.00 0.00 H new ATOM 0 HE21 GLN A 175 4.377 6.936 -5.486 1.00 0.00 H new ATOM 0 HE22 GLN A 175 4.407 8.696 -5.334 1.00 0.00 H new ATOM 147 N ASN A 176 7.924 5.073 -9.251 1.00 0.00 N ATOM 148 CA ASN A 176 6.982 4.843 -10.349 1.00 0.00 C ATOM 149 C ASN A 176 6.747 3.354 -10.598 1.00 0.00 C ATOM 150 O ASN A 176 5.602 2.889 -10.587 1.00 0.00 O ATOM 151 CB ASN A 176 7.482 5.504 -11.636 1.00 0.00 C ATOM 152 CG ASN A 176 7.540 7.018 -11.543 1.00 0.00 C ATOM 153 OD1 ASN A 176 6.739 7.642 -10.847 1.00 0.00 O ATOM 154 ND2 ASN A 176 8.496 7.615 -12.241 1.00 0.00 N ATOM 0 H ASN A 176 8.777 5.566 -9.515 1.00 0.00 H new ATOM 0 HA ASN A 176 6.033 5.291 -10.054 1.00 0.00 H new ATOM 0 HB2 ASN A 176 8.475 5.122 -11.872 1.00 0.00 H new ATOM 0 HB3 ASN A 176 6.828 5.221 -12.461 1.00 0.00 H new ATOM 0 HD21 ASN A 176 8.589 8.630 -12.214 1.00 0.00 H new ATOM 0 HD22 ASN A 176 9.139 7.059 -12.805 1.00 0.00 H new ATOM 161 N ASN A 177 7.818 2.596 -10.777 1.00 0.00 N ATOM 162 CA ASN A 177 7.687 1.164 -11.019 1.00 0.00 C ATOM 163 C ASN A 177 7.391 0.448 -9.708 1.00 0.00 C ATOM 164 O ASN A 177 6.804 -0.639 -9.696 1.00 0.00 O ATOM 165 CB ASN A 177 8.939 0.586 -11.690 1.00 0.00 C ATOM 166 CG ASN A 177 10.186 0.718 -10.841 1.00 0.00 C ATOM 167 OD1 ASN A 177 10.903 1.714 -10.922 1.00 0.00 O ATOM 168 ND2 ASN A 177 10.465 -0.296 -10.043 1.00 0.00 N ATOM 0 H ASN A 177 8.778 2.941 -10.760 1.00 0.00 H new ATOM 0 HA ASN A 177 6.856 1.006 -11.707 1.00 0.00 H new ATOM 0 HB2 ASN A 177 8.770 -0.467 -11.914 1.00 0.00 H new ATOM 0 HB3 ASN A 177 9.100 1.093 -12.642 1.00 0.00 H new ATOM 0 HD21 ASN A 177 11.303 -0.272 -9.462 1.00 0.00 H new ATOM 0 HD22 ASN A 177 9.842 -1.103 -10.007 1.00 0.00 H new ATOM 175 N PHE A 178 7.800 1.070 -8.609 1.00 0.00 N ATOM 176 CA PHE A 178 7.434 0.605 -7.280 1.00 0.00 C ATOM 177 C PHE A 178 5.919 0.591 -7.129 1.00 0.00 C ATOM 178 O PHE A 178 5.345 -0.376 -6.641 1.00 0.00 O ATOM 179 CB PHE A 178 8.080 1.500 -6.216 1.00 0.00 C ATOM 180 CG PHE A 178 7.334 1.549 -4.915 1.00 0.00 C ATOM 181 CD1 PHE A 178 7.455 0.533 -3.983 1.00 0.00 C ATOM 182 CD2 PHE A 178 6.505 2.620 -4.630 1.00 0.00 C ATOM 183 CE1 PHE A 178 6.761 0.587 -2.790 1.00 0.00 C ATOM 184 CE2 PHE A 178 5.810 2.679 -3.445 1.00 0.00 C ATOM 185 CZ PHE A 178 5.938 1.663 -2.522 1.00 0.00 C ATOM 0 H PHE A 178 8.389 1.903 -8.614 1.00 0.00 H new ATOM 0 HA PHE A 178 7.800 -0.412 -7.143 1.00 0.00 H new ATOM 0 HB2 PHE A 178 9.094 1.146 -6.027 1.00 0.00 H new ATOM 0 HB3 PHE A 178 8.164 2.512 -6.612 1.00 0.00 H new ATOM 0 HD1 PHE A 178 8.098 -0.310 -4.190 1.00 0.00 H new ATOM 0 HD2 PHE A 178 6.403 3.420 -5.348 1.00 0.00 H new ATOM 0 HE1 PHE A 178 6.862 -0.210 -2.069 1.00 0.00 H new ATOM 0 HE2 PHE A 178 5.165 3.520 -3.238 1.00 0.00 H new ATOM 0 HZ PHE A 178 5.395 1.709 -1.590 1.00 0.00 H new ATOM 195 N VAL A 179 5.281 1.667 -7.564 1.00 0.00 N ATOM 196 CA VAL A 179 3.831 1.773 -7.518 1.00 0.00 C ATOM 197 C VAL A 179 3.200 0.666 -8.354 1.00 0.00 C ATOM 198 O VAL A 179 2.215 0.058 -7.948 1.00 0.00 O ATOM 199 CB VAL A 179 3.338 3.169 -7.993 1.00 0.00 C ATOM 200 CG1 VAL A 179 1.819 3.213 -8.102 1.00 0.00 C ATOM 201 CG2 VAL A 179 3.811 4.251 -7.035 1.00 0.00 C ATOM 0 H VAL A 179 5.749 2.484 -7.955 1.00 0.00 H new ATOM 0 HA VAL A 179 3.520 1.657 -6.480 1.00 0.00 H new ATOM 0 HB VAL A 179 3.760 3.349 -8.982 1.00 0.00 H new ATOM 0 HG11 VAL A 179 1.507 4.202 -8.436 1.00 0.00 H new ATOM 0 HG12 VAL A 179 1.484 2.465 -8.820 1.00 0.00 H new ATOM 0 HG13 VAL A 179 1.378 3.003 -7.127 1.00 0.00 H new ATOM 0 HG21 VAL A 179 3.458 5.223 -7.381 1.00 0.00 H new ATOM 0 HG22 VAL A 179 3.414 4.054 -6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 179 4.900 4.253 -6.998 1.00 0.00 H new ATOM 211 N HIS A 180 3.792 0.370 -9.498 1.00 0.00 N ATOM 212 CA HIS A 180 3.288 -0.707 -10.340 1.00 0.00 C ATOM 213 C HIS A 180 3.376 -2.053 -9.618 1.00 0.00 C ATOM 214 O HIS A 180 2.362 -2.703 -9.368 1.00 0.00 O ATOM 215 CB HIS A 180 4.063 -0.775 -11.659 1.00 0.00 C ATOM 216 CG HIS A 180 3.928 0.457 -12.500 1.00 0.00 C ATOM 217 ND1 HIS A 180 5.013 1.016 -13.132 1.00 0.00 N ATOM 218 CD2 HIS A 180 2.823 1.184 -12.787 1.00 0.00 C ATOM 219 CE1 HIS A 180 4.549 2.065 -13.788 1.00 0.00 C ATOM 220 NE2 HIS A 180 3.224 2.207 -13.608 1.00 0.00 N ATOM 0 H HIS A 180 4.613 0.852 -9.864 1.00 0.00 H new ATOM 0 HA HIS A 180 2.241 -0.494 -10.557 1.00 0.00 H new ATOM 0 HB2 HIS A 180 5.118 -0.943 -11.442 1.00 0.00 H new ATOM 0 HB3 HIS A 180 3.715 -1.635 -12.231 1.00 0.00 H new ATOM 0 HD2 HIS A 180 1.819 0.995 -12.437 1.00 0.00 H new ATOM 0 HE1 HIS A 180 5.156 2.724 -14.391 1.00 0.00 H new ATOM 0 HE2 HIS A 180 2.631 2.936 -14.006 1.00 0.00 H new ATOM 227 N ASP A 181 4.590 -2.435 -9.244 1.00 0.00 N ATOM 228 CA ASP A 181 4.839 -3.749 -8.653 1.00 0.00 C ATOM 229 C ASP A 181 4.205 -3.898 -7.275 1.00 0.00 C ATOM 230 O ASP A 181 3.476 -4.860 -7.023 1.00 0.00 O ATOM 231 CB ASP A 181 6.346 -4.008 -8.554 1.00 0.00 C ATOM 232 CG ASP A 181 6.670 -5.260 -7.764 1.00 0.00 C ATOM 233 OD1 ASP A 181 6.574 -6.371 -8.329 1.00 0.00 O ATOM 234 OD2 ASP A 181 7.017 -5.140 -6.574 1.00 0.00 O ATOM 0 H ASP A 181 5.422 -1.853 -9.339 1.00 0.00 H new ATOM 0 HA ASP A 181 4.376 -4.485 -9.311 1.00 0.00 H new ATOM 0 HB2 ASP A 181 6.762 -4.098 -9.557 1.00 0.00 H new ATOM 0 HB3 ASP A 181 6.828 -3.151 -8.084 1.00 0.00 H new ATOM 239 N CYS A 182 4.480 -2.948 -6.395 1.00 0.00 N ATOM 240 CA CYS A 182 4.054 -3.046 -5.006 1.00 0.00 C ATOM 241 C CYS A 182 2.541 -3.006 -4.899 1.00 0.00 C ATOM 242 O CYS A 182 1.955 -3.846 -4.223 1.00 0.00 O ATOM 243 CB CYS A 182 4.695 -1.932 -4.159 1.00 0.00 C ATOM 244 SG CYS A 182 4.510 -2.139 -2.357 1.00 0.00 S ATOM 0 H CYS A 182 4.998 -2.098 -6.618 1.00 0.00 H new ATOM 0 HA CYS A 182 4.392 -4.006 -4.615 1.00 0.00 H new ATOM 0 HB2 CYS A 182 5.757 -1.879 -4.397 1.00 0.00 H new ATOM 0 HB3 CYS A 182 4.256 -0.977 -4.448 1.00 0.00 H new ATOM 249 N VAL A 183 1.898 -2.062 -5.576 1.00 0.00 N ATOM 250 CA VAL A 183 0.448 -1.965 -5.496 1.00 0.00 C ATOM 251 C VAL A 183 -0.193 -3.240 -6.022 1.00 0.00 C ATOM 252 O VAL A 183 -1.202 -3.694 -5.502 1.00 0.00 O ATOM 253 CB VAL A 183 -0.097 -0.738 -6.249 1.00 0.00 C ATOM 254 CG1 VAL A 183 -1.619 -0.698 -6.211 1.00 0.00 C ATOM 255 CG2 VAL A 183 0.487 0.522 -5.641 1.00 0.00 C ATOM 0 H VAL A 183 2.346 -1.368 -6.174 1.00 0.00 H new ATOM 0 HA VAL A 183 0.187 -1.838 -4.445 1.00 0.00 H new ATOM 0 HB VAL A 183 0.200 -0.807 -7.295 1.00 0.00 H new ATOM 0 HG11 VAL A 183 -1.973 0.180 -6.751 1.00 0.00 H new ATOM 0 HG12 VAL A 183 -2.018 -1.598 -6.679 1.00 0.00 H new ATOM 0 HG13 VAL A 183 -1.956 -0.647 -5.176 1.00 0.00 H new ATOM 0 HG21 VAL A 183 0.103 1.394 -6.172 1.00 0.00 H new ATOM 0 HG22 VAL A 183 0.204 0.584 -4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 183 1.574 0.496 -5.724 1.00 0.00 H new ATOM 265 N ASN A 184 0.420 -3.837 -7.032 1.00 0.00 N ATOM 266 CA ASN A 184 -0.067 -5.119 -7.532 1.00 0.00 C ATOM 267 C ASN A 184 -0.030 -6.187 -6.443 1.00 0.00 C ATOM 268 O ASN A 184 -1.061 -6.758 -6.109 1.00 0.00 O ATOM 269 CB ASN A 184 0.725 -5.596 -8.754 1.00 0.00 C ATOM 270 CG ASN A 184 0.207 -4.991 -10.043 1.00 0.00 C ATOM 271 OD1 ASN A 184 -0.974 -4.663 -10.154 1.00 0.00 O ATOM 272 ND2 ASN A 184 1.075 -4.855 -11.030 1.00 0.00 N ATOM 0 H ASN A 184 1.239 -3.467 -7.515 1.00 0.00 H new ATOM 0 HA ASN A 184 -1.101 -4.962 -7.838 1.00 0.00 H new ATOM 0 HB2 ASN A 184 1.776 -5.335 -8.628 1.00 0.00 H new ATOM 0 HB3 ASN A 184 0.672 -6.683 -8.818 1.00 0.00 H new ATOM 0 HD21 ASN A 184 0.774 -4.466 -11.924 1.00 0.00 H new ATOM 0 HD22 ASN A 184 2.046 -5.139 -10.898 1.00 0.00 H new ATOM 279 N ILE A 185 1.139 -6.425 -5.857 1.00 0.00 N ATOM 280 CA ILE A 185 1.275 -7.457 -4.831 1.00 0.00 C ATOM 281 C ILE A 185 0.420 -7.153 -3.603 1.00 0.00 C ATOM 282 O ILE A 185 -0.134 -8.061 -2.990 1.00 0.00 O ATOM 283 CB ILE A 185 2.747 -7.709 -4.419 1.00 0.00 C ATOM 284 CG1 ILE A 185 3.449 -6.434 -3.946 1.00 0.00 C ATOM 285 CG2 ILE A 185 3.515 -8.332 -5.572 1.00 0.00 C ATOM 286 CD1 ILE A 185 3.367 -6.203 -2.449 1.00 0.00 C ATOM 0 H ILE A 185 2.000 -5.923 -6.072 1.00 0.00 H new ATOM 0 HA ILE A 185 0.907 -8.376 -5.287 1.00 0.00 H new ATOM 0 HB ILE A 185 2.730 -8.399 -3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 185 4.498 -6.479 -4.239 1.00 0.00 H new ATOM 0 HG13 ILE A 185 3.011 -5.578 -4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 185 4.548 -8.504 -5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 185 3.054 -9.281 -5.846 1.00 0.00 H new ATOM 0 HG23 ILE A 185 3.495 -7.658 -6.429 1.00 0.00 H new ATOM 0 HD11 ILE A 185 3.888 -5.280 -2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 185 2.322 -6.124 -2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 185 3.832 -7.039 -1.926 1.00 0.00 H new ATOM 298 N THR A 186 0.299 -5.883 -3.249 1.00 0.00 N ATOM 299 CA THR A 186 -0.608 -5.503 -2.175 1.00 0.00 C ATOM 300 C THR A 186 -2.062 -5.732 -2.559 1.00 0.00 C ATOM 301 O THR A 186 -2.887 -6.018 -1.696 1.00 0.00 O ATOM 302 CB THR A 186 -0.395 -4.065 -1.673 1.00 0.00 C ATOM 303 OG1 THR A 186 -0.040 -3.203 -2.752 1.00 0.00 O ATOM 304 CG2 THR A 186 0.673 -4.025 -0.589 1.00 0.00 C ATOM 0 H THR A 186 0.806 -5.110 -3.680 1.00 0.00 H new ATOM 0 HA THR A 186 -0.364 -6.161 -1.341 1.00 0.00 H new ATOM 0 HB THR A 186 -1.333 -3.713 -1.244 1.00 0.00 H new ATOM 0 HG1 THR A 186 0.929 -3.055 -2.747 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.807 -2.998 -0.248 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.363 -4.648 0.250 1.00 0.00 H new ATOM 0 HG23 THR A 186 1.614 -4.400 -0.991 1.00 0.00 H new ATOM 312 N VAL A 187 -2.390 -5.607 -3.840 1.00 0.00 N ATOM 313 CA VAL A 187 -3.720 -5.981 -4.295 1.00 0.00 C ATOM 314 C VAL A 187 -3.947 -7.460 -4.022 1.00 0.00 C ATOM 315 O VAL A 187 -4.989 -7.848 -3.496 1.00 0.00 O ATOM 316 CB VAL A 187 -3.961 -5.687 -5.797 1.00 0.00 C ATOM 317 CG1 VAL A 187 -5.193 -6.427 -6.302 1.00 0.00 C ATOM 318 CG2 VAL A 187 -4.127 -4.195 -6.034 1.00 0.00 C ATOM 0 H VAL A 187 -1.767 -5.257 -4.567 1.00 0.00 H new ATOM 0 HA VAL A 187 -4.430 -5.369 -3.739 1.00 0.00 H new ATOM 0 HB VAL A 187 -3.089 -6.037 -6.349 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -5.343 -6.206 -7.359 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -5.051 -7.500 -6.173 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -6.068 -6.106 -5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -4.295 -4.012 -7.095 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -4.980 -3.829 -5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -3.225 -3.673 -5.714 1.00 0.00 H new ATOM 328 N LYS A 188 -2.952 -8.280 -4.351 1.00 0.00 N ATOM 329 CA LYS A 188 -3.008 -9.695 -4.048 1.00 0.00 C ATOM 330 C LYS A 188 -3.209 -9.889 -2.546 1.00 0.00 C ATOM 331 O LYS A 188 -4.077 -10.640 -2.117 1.00 0.00 O ATOM 332 CB LYS A 188 -1.718 -10.400 -4.494 1.00 0.00 C ATOM 333 CG LYS A 188 -1.639 -10.768 -5.977 1.00 0.00 C ATOM 334 CD LYS A 188 -1.220 -9.597 -6.856 1.00 0.00 C ATOM 335 CE LYS A 188 -2.417 -8.917 -7.507 1.00 0.00 C ATOM 336 NZ LYS A 188 -3.068 -9.773 -8.536 1.00 0.00 N ATOM 0 H LYS A 188 -2.100 -7.983 -4.827 1.00 0.00 H new ATOM 0 HA LYS A 188 -3.846 -10.134 -4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 188 -0.872 -9.756 -4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 188 -1.602 -11.311 -3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 188 -0.929 -11.585 -6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 188 -2.611 -11.135 -6.308 1.00 0.00 H new ATOM 0 HD2 LYS A 188 -0.672 -8.871 -6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 188 -0.538 -9.950 -7.630 1.00 0.00 H new ATOM 0 HE2 LYS A 188 -3.146 -8.659 -6.739 1.00 0.00 H new ATOM 0 HE3 LYS A 188 -2.095 -7.983 -7.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 -3.635 -9.179 -9.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 -2.339 -10.271 -9.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 -3.685 -10.468 -8.070 1.00 0.00 H new ATOM 350 N GLN A 189 -2.421 -9.161 -1.767 1.00 0.00 N ATOM 351 CA GLN A 189 -2.458 -9.220 -0.308 1.00 0.00 C ATOM 352 C GLN A 189 -3.843 -8.884 0.247 1.00 0.00 C ATOM 353 O GLN A 189 -4.413 -9.644 1.038 1.00 0.00 O ATOM 354 CB GLN A 189 -1.420 -8.241 0.247 1.00 0.00 C ATOM 355 CG GLN A 189 -1.314 -8.222 1.758 1.00 0.00 C ATOM 356 CD GLN A 189 0.028 -7.694 2.217 1.00 0.00 C ATOM 357 OE1 GLN A 189 0.135 -7.044 3.258 1.00 0.00 O ATOM 358 NE2 GLN A 189 1.066 -7.993 1.447 1.00 0.00 N ATOM 0 H GLN A 189 -1.730 -8.505 -2.132 1.00 0.00 H new ATOM 0 HA GLN A 189 -2.229 -10.240 0.002 1.00 0.00 H new ATOM 0 HB2 GLN A 189 -0.444 -8.492 -0.169 1.00 0.00 H new ATOM 0 HB3 GLN A 189 -1.665 -7.237 -0.099 1.00 0.00 H new ATOM 0 HG2 GLN A 189 -2.110 -7.602 2.171 1.00 0.00 H new ATOM 0 HG3 GLN A 189 -1.461 -9.230 2.146 1.00 0.00 H new ATOM 0 HE21 GLN A 189 0.929 -8.534 0.593 1.00 0.00 H new ATOM 0 HE22 GLN A 189 2.001 -7.682 1.709 1.00 0.00 H new ATOM 367 N HIS A 190 -4.382 -7.752 -0.170 1.00 0.00 N ATOM 368 CA HIS A 190 -5.646 -7.273 0.363 1.00 0.00 C ATOM 369 C HIS A 190 -6.793 -8.167 -0.097 1.00 0.00 C ATOM 370 O HIS A 190 -7.692 -8.485 0.683 1.00 0.00 O ATOM 371 CB HIS A 190 -5.888 -5.826 -0.065 1.00 0.00 C ATOM 372 CG HIS A 190 -6.662 -5.021 0.936 1.00 0.00 C ATOM 373 ND1 HIS A 190 -7.811 -4.356 0.590 1.00 0.00 N ATOM 374 CD2 HIS A 190 -6.386 -4.776 2.240 1.00 0.00 C ATOM 375 CE1 HIS A 190 -8.209 -3.722 1.679 1.00 0.00 C ATOM 376 NE2 HIS A 190 -7.375 -3.947 2.706 1.00 0.00 N ATOM 0 H HIS A 190 -3.964 -7.147 -0.877 1.00 0.00 H new ATOM 0 HA HIS A 190 -5.600 -7.309 1.451 1.00 0.00 H new ATOM 0 HB2 HIS A 190 -4.927 -5.343 -0.241 1.00 0.00 H new ATOM 0 HB3 HIS A 190 -6.425 -5.822 -1.014 1.00 0.00 H new ATOM 0 HD2 HIS A 190 -5.549 -5.160 2.804 1.00 0.00 H new ATOM 0 HE1 HIS A 190 -9.092 -3.102 1.735 1.00 0.00 H new ATOM 0 HE2 HIS A 190 -7.460 -3.574 3.651 1.00 0.00 H new ATOM 383 N THR A 191 -6.743 -8.602 -1.354 1.00 0.00 N ATOM 384 CA THR A 191 -7.771 -9.487 -1.879 1.00 0.00 C ATOM 385 C THR A 191 -7.725 -10.841 -1.173 1.00 0.00 C ATOM 386 O THR A 191 -8.762 -11.454 -0.947 1.00 0.00 O ATOM 387 CB THR A 191 -7.663 -9.688 -3.405 1.00 0.00 C ATOM 388 OG1 THR A 191 -6.356 -10.154 -3.758 1.00 0.00 O ATOM 389 CG2 THR A 191 -7.963 -8.394 -4.147 1.00 0.00 C ATOM 0 H THR A 191 -6.009 -8.358 -2.019 1.00 0.00 H new ATOM 0 HA THR A 191 -8.728 -9.003 -1.682 1.00 0.00 H new ATOM 0 HB THR A 191 -8.400 -10.436 -3.696 1.00 0.00 H new ATOM 0 HG1 THR A 191 -5.754 -9.388 -3.867 1.00 0.00 H new ATOM 0 HG21 THR A 191 -7.880 -8.563 -5.221 1.00 0.00 H new ATOM 0 HG22 THR A 191 -8.974 -8.064 -3.909 1.00 0.00 H new ATOM 0 HG23 THR A 191 -7.250 -7.627 -3.844 1.00 0.00 H new ATOM 397 N VAL A 192 -6.522 -11.296 -0.806 1.00 0.00 N ATOM 398 CA VAL A 192 -6.370 -12.530 -0.031 1.00 0.00 C ATOM 399 C VAL A 192 -6.987 -12.374 1.357 1.00 0.00 C ATOM 400 O VAL A 192 -7.717 -13.250 1.826 1.00 0.00 O ATOM 401 CB VAL A 192 -4.885 -12.956 0.099 1.00 0.00 C ATOM 402 CG1 VAL A 192 -4.711 -14.016 1.183 1.00 0.00 C ATOM 403 CG2 VAL A 192 -4.369 -13.483 -1.228 1.00 0.00 C ATOM 0 H VAL A 192 -5.643 -10.830 -1.032 1.00 0.00 H new ATOM 0 HA VAL A 192 -6.897 -13.314 -0.574 1.00 0.00 H new ATOM 0 HB VAL A 192 -4.307 -12.077 0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 192 -3.660 -14.296 1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 192 -5.044 -13.615 2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 192 -5.305 -14.895 0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 192 -3.325 -13.778 -1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 192 -4.961 -14.346 -1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 192 -4.450 -12.703 -1.985 1.00 0.00 H new ATOM 413 N THR A 193 -6.707 -11.252 2.002 1.00 0.00 N ATOM 414 CA THR A 193 -7.305 -10.950 3.296 1.00 0.00 C ATOM 415 C THR A 193 -8.831 -10.971 3.173 1.00 0.00 C ATOM 416 O THR A 193 -9.542 -11.595 3.973 1.00 0.00 O ATOM 417 CB THR A 193 -6.838 -9.572 3.794 1.00 0.00 C ATOM 418 OG1 THR A 193 -5.411 -9.479 3.681 1.00 0.00 O ATOM 419 CG2 THR A 193 -7.248 -9.350 5.241 1.00 0.00 C ATOM 0 H THR A 193 -6.071 -10.536 1.652 1.00 0.00 H new ATOM 0 HA THR A 193 -6.989 -11.705 4.016 1.00 0.00 H new ATOM 0 HB THR A 193 -7.310 -8.805 3.179 1.00 0.00 H new ATOM 0 HG1 THR A 193 -5.163 -9.386 2.737 1.00 0.00 H new ATOM 0 HG21 THR A 193 -6.906 -8.369 5.570 1.00 0.00 H new ATOM 0 HG22 THR A 193 -8.334 -9.403 5.324 1.00 0.00 H new ATOM 0 HG23 THR A 193 -6.799 -10.120 5.869 1.00 0.00 H new ATOM 427 N THR A 194 -9.319 -10.329 2.129 1.00 0.00 N ATOM 428 CA THR A 194 -10.734 -10.317 1.826 1.00 0.00 C ATOM 429 C THR A 194 -11.240 -11.718 1.459 1.00 0.00 C ATOM 430 O THR A 194 -12.416 -12.041 1.629 1.00 0.00 O ATOM 431 CB THR A 194 -11.016 -9.339 0.687 1.00 0.00 C ATOM 432 OG1 THR A 194 -10.586 -8.026 1.072 1.00 0.00 O ATOM 433 CG2 THR A 194 -12.489 -9.316 0.351 1.00 0.00 C ATOM 0 H THR A 194 -8.746 -9.803 1.469 1.00 0.00 H new ATOM 0 HA THR A 194 -11.268 -9.993 2.719 1.00 0.00 H new ATOM 0 HB THR A 194 -10.468 -9.664 -0.198 1.00 0.00 H new ATOM 0 HG1 THR A 194 -10.677 -7.416 0.311 1.00 0.00 H new ATOM 0 HG21 THR A 194 -12.666 -8.613 -0.463 1.00 0.00 H new ATOM 0 HG22 THR A 194 -12.808 -10.312 0.045 1.00 0.00 H new ATOM 0 HG23 THR A 194 -13.057 -9.006 1.228 1.00 0.00 H new ATOM 441 N THR A 195 -10.353 -12.554 0.964 1.00 0.00 N ATOM 442 CA THR A 195 -10.692 -13.934 0.724 1.00 0.00 C ATOM 443 C THR A 195 -10.838 -14.652 2.056 1.00 0.00 C ATOM 444 O THR A 195 -11.624 -15.568 2.200 1.00 0.00 O ATOM 445 CB THR A 195 -9.634 -14.648 -0.143 1.00 0.00 C ATOM 446 OG1 THR A 195 -9.447 -13.935 -1.373 1.00 0.00 O ATOM 447 CG2 THR A 195 -10.064 -16.073 -0.445 1.00 0.00 C ATOM 0 H THR A 195 -9.395 -12.300 0.722 1.00 0.00 H new ATOM 0 HA THR A 195 -11.633 -13.960 0.175 1.00 0.00 H new ATOM 0 HB THR A 195 -8.695 -14.672 0.411 1.00 0.00 H new ATOM 0 HG1 THR A 195 -9.056 -13.056 -1.186 1.00 0.00 H new ATOM 0 HG21 THR A 195 -9.305 -16.560 -1.057 1.00 0.00 H new ATOM 0 HG22 THR A 195 -10.184 -16.622 0.489 1.00 0.00 H new ATOM 0 HG23 THR A 195 -11.012 -16.061 -0.983 1.00 0.00 H new ATOM 455 N THR A 196 -10.105 -14.219 3.056 1.00 0.00 N ATOM 456 CA THR A 196 -10.223 -14.861 4.343 1.00 0.00 C ATOM 457 C THR A 196 -11.313 -14.215 5.207 1.00 0.00 C ATOM 458 O THR A 196 -11.626 -14.714 6.284 1.00 0.00 O ATOM 459 CB THR A 196 -8.879 -14.887 5.103 1.00 0.00 C ATOM 460 OG1 THR A 196 -8.395 -13.555 5.314 1.00 0.00 O ATOM 461 CG2 THR A 196 -7.839 -15.682 4.329 1.00 0.00 C ATOM 0 H THR A 196 -9.439 -13.448 3.007 1.00 0.00 H new ATOM 0 HA THR A 196 -10.516 -15.892 4.144 1.00 0.00 H new ATOM 0 HB THR A 196 -9.050 -15.366 6.067 1.00 0.00 H new ATOM 0 HG1 THR A 196 -8.965 -12.920 4.832 1.00 0.00 H new ATOM 0 HG21 THR A 196 -6.900 -15.688 4.882 1.00 0.00 H new ATOM 0 HG22 THR A 196 -8.188 -16.706 4.197 1.00 0.00 H new ATOM 0 HG23 THR A 196 -7.683 -15.223 3.353 1.00 0.00 H new ATOM 469 N LYS A 197 -11.893 -13.101 4.751 1.00 0.00 N ATOM 470 CA LYS A 197 -13.078 -12.549 5.424 1.00 0.00 C ATOM 471 C LYS A 197 -14.362 -13.250 4.951 1.00 0.00 C ATOM 472 O LYS A 197 -15.438 -12.655 4.900 1.00 0.00 O ATOM 473 CB LYS A 197 -13.166 -11.014 5.264 1.00 0.00 C ATOM 474 CG LYS A 197 -13.401 -10.498 3.850 1.00 0.00 C ATOM 475 CD LYS A 197 -14.840 -10.050 3.643 1.00 0.00 C ATOM 476 CE LYS A 197 -15.009 -9.243 2.355 1.00 0.00 C ATOM 477 NZ LYS A 197 -16.382 -8.693 2.202 1.00 0.00 N ATOM 0 H LYS A 197 -11.573 -12.573 3.939 1.00 0.00 H new ATOM 0 HA LYS A 197 -12.972 -12.747 6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -13.972 -10.649 5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -12.241 -10.577 5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -12.729 -9.663 3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -13.158 -11.281 3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -15.491 -10.924 3.611 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -15.158 -9.447 4.493 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -14.290 -8.424 2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -14.778 -9.878 1.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -16.348 -7.830 1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -16.989 -9.399 1.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -16.771 -8.465 3.139 1.00 0.00 H new ATOM 491 N GLY A 198 -14.242 -14.538 4.637 1.00 0.00 N ATOM 492 CA GLY A 198 -15.394 -15.314 4.213 1.00 0.00 C ATOM 493 C GLY A 198 -15.409 -15.559 2.723 1.00 0.00 C ATOM 494 O GLY A 198 -16.401 -16.041 2.176 1.00 0.00 O ATOM 0 H GLY A 198 -13.365 -15.058 4.669 1.00 0.00 H new ATOM 0 HA2 GLY A 198 -15.396 -16.271 4.735 1.00 0.00 H new ATOM 0 HA3 GLY A 198 -16.306 -14.792 4.501 1.00 0.00 H new ATOM 498 N GLU A 199 -14.295 -15.230 2.075 1.00 0.00 N ATOM 499 CA GLU A 199 -14.138 -15.383 0.631 1.00 0.00 C ATOM 500 C GLU A 199 -15.261 -14.678 -0.125 1.00 0.00 C ATOM 501 O GLU A 199 -15.693 -15.115 -1.191 1.00 0.00 O ATOM 502 CB GLU A 199 -14.093 -16.855 0.247 1.00 0.00 C ATOM 503 CG GLU A 199 -13.032 -17.671 0.966 1.00 0.00 C ATOM 504 CD GLU A 199 -13.062 -19.134 0.590 1.00 0.00 C ATOM 505 OE1 GLU A 199 -12.716 -19.466 -0.564 1.00 0.00 O ATOM 506 OE2 GLU A 199 -13.418 -19.961 1.457 1.00 0.00 O ATOM 0 H GLU A 199 -13.471 -14.848 2.539 1.00 0.00 H new ATOM 0 HA GLU A 199 -13.193 -14.918 0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 199 -15.069 -17.298 0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 199 -13.923 -16.930 -0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 199 -12.048 -17.262 0.736 1.00 0.00 H new ATOM 0 HG3 GLU A 199 -13.174 -17.574 2.042 1.00 0.00 H new ATOM 513 N ASN A 200 -15.699 -13.574 0.436 1.00 0.00 N ATOM 514 CA ASN A 200 -16.836 -12.825 -0.091 1.00 0.00 C ATOM 515 C ASN A 200 -16.386 -11.473 -0.623 1.00 0.00 C ATOM 516 O ASN A 200 -16.692 -10.418 -0.067 1.00 0.00 O ATOM 517 CB ASN A 200 -17.876 -12.620 0.993 1.00 0.00 C ATOM 518 CG ASN A 200 -19.191 -12.082 0.455 1.00 0.00 C ATOM 519 OD1 ASN A 200 -19.577 -12.358 -0.682 1.00 0.00 O ATOM 520 ND2 ASN A 200 -19.888 -11.314 1.274 1.00 0.00 N ATOM 0 H ASN A 200 -15.282 -13.163 1.271 1.00 0.00 H new ATOM 0 HA ASN A 200 -17.273 -13.400 -0.908 1.00 0.00 H new ATOM 0 HB2 ASN A 200 -18.057 -13.568 1.500 1.00 0.00 H new ATOM 0 HB3 ASN A 200 -17.484 -11.929 1.739 1.00 0.00 H new ATOM 0 HD21 ASN A 200 -20.782 -10.926 0.972 1.00 0.00 H new ATOM 0 HD22 ASN A 200 -19.532 -11.110 2.208 1.00 0.00 H new ATOM 527 N PHE A 201 -15.626 -11.534 -1.679 1.00 0.00 N ATOM 528 CA PHE A 201 -15.160 -10.350 -2.380 1.00 0.00 C ATOM 529 C PHE A 201 -15.949 -10.140 -3.638 1.00 0.00 C ATOM 530 O PHE A 201 -16.006 -10.999 -4.515 1.00 0.00 O ATOM 531 CB PHE A 201 -13.669 -10.452 -2.696 1.00 0.00 C ATOM 532 CG PHE A 201 -13.212 -11.818 -3.138 1.00 0.00 C ATOM 533 CD1 PHE A 201 -12.823 -12.766 -2.205 1.00 0.00 C ATOM 534 CD2 PHE A 201 -13.169 -12.152 -4.482 1.00 0.00 C ATOM 535 CE1 PHE A 201 -12.403 -14.019 -2.605 1.00 0.00 C ATOM 536 CE2 PHE A 201 -12.749 -13.403 -4.888 1.00 0.00 C ATOM 537 CZ PHE A 201 -12.366 -14.338 -3.948 1.00 0.00 C ATOM 0 H PHE A 201 -15.304 -12.411 -2.089 1.00 0.00 H new ATOM 0 HA PHE A 201 -15.310 -9.490 -1.727 1.00 0.00 H new ATOM 0 HB2 PHE A 201 -13.427 -9.732 -3.478 1.00 0.00 H new ATOM 0 HB3 PHE A 201 -13.103 -10.163 -1.810 1.00 0.00 H new ATOM 0 HD1 PHE A 201 -12.849 -12.522 -1.153 1.00 0.00 H new ATOM 0 HD2 PHE A 201 -13.468 -11.424 -5.222 1.00 0.00 H new ATOM 0 HE1 PHE A 201 -12.104 -14.749 -1.868 1.00 0.00 H new ATOM 0 HE2 PHE A 201 -12.720 -13.649 -5.939 1.00 0.00 H new ATOM 0 HZ PHE A 201 -12.038 -15.318 -4.262 1.00 0.00 H new ATOM 547 N THR A 202 -16.581 -9.003 -3.693 1.00 0.00 N ATOM 548 CA THR A 202 -17.273 -8.591 -4.845 1.00 0.00 C ATOM 549 C THR A 202 -16.393 -7.584 -5.550 1.00 0.00 C ATOM 550 O THR A 202 -15.488 -7.056 -4.915 1.00 0.00 O ATOM 551 CB THR A 202 -18.642 -7.975 -4.492 1.00 0.00 C ATOM 552 OG1 THR A 202 -19.166 -8.609 -3.316 1.00 0.00 O ATOM 553 CG2 THR A 202 -19.630 -8.142 -5.636 1.00 0.00 C ATOM 0 H THR A 202 -16.621 -8.339 -2.920 1.00 0.00 H new ATOM 0 HA THR A 202 -17.480 -9.446 -5.489 1.00 0.00 H new ATOM 0 HB THR A 202 -18.500 -6.910 -4.311 1.00 0.00 H new ATOM 0 HG1 THR A 202 -18.735 -8.231 -2.521 1.00 0.00 H new ATOM 0 HG21 THR A 202 -20.586 -7.698 -5.359 1.00 0.00 H new ATOM 0 HG22 THR A 202 -19.244 -7.645 -6.526 1.00 0.00 H new ATOM 0 HG23 THR A 202 -19.769 -9.203 -5.845 1.00 0.00 H new ATOM 561 N GLU A 203 -16.594 -7.313 -6.824 1.00 0.00 N ATOM 562 CA GLU A 203 -15.772 -6.304 -7.482 1.00 0.00 C ATOM 563 C GLU A 203 -15.892 -4.967 -6.749 1.00 0.00 C ATOM 564 O GLU A 203 -14.970 -4.158 -6.763 1.00 0.00 O ATOM 565 CB GLU A 203 -16.130 -6.173 -8.955 1.00 0.00 C ATOM 566 CG GLU A 203 -15.374 -5.062 -9.666 1.00 0.00 C ATOM 567 CD GLU A 203 -15.768 -4.916 -11.118 1.00 0.00 C ATOM 568 OE1 GLU A 203 -15.328 -5.742 -11.945 1.00 0.00 O ATOM 569 OE2 GLU A 203 -16.517 -3.971 -11.439 1.00 0.00 O ATOM 0 H GLU A 203 -17.296 -7.759 -7.414 1.00 0.00 H new ATOM 0 HA GLU A 203 -14.731 -6.623 -7.437 1.00 0.00 H new ATOM 0 HB2 GLU A 203 -15.926 -7.119 -9.456 1.00 0.00 H new ATOM 0 HB3 GLU A 203 -17.201 -5.989 -9.046 1.00 0.00 H new ATOM 0 HG2 GLU A 203 -15.554 -4.119 -9.150 1.00 0.00 H new ATOM 0 HG3 GLU A 203 -14.304 -5.260 -9.604 1.00 0.00 H new ATOM 576 N THR A 204 -17.008 -4.782 -6.056 1.00 0.00 N ATOM 577 CA THR A 204 -17.172 -3.665 -5.148 1.00 0.00 C ATOM 578 C THR A 204 -16.078 -3.687 -4.092 1.00 0.00 C ATOM 579 O THR A 204 -15.349 -2.713 -3.903 1.00 0.00 O ATOM 580 CB THR A 204 -18.506 -3.783 -4.403 1.00 0.00 C ATOM 581 OG1 THR A 204 -19.592 -3.858 -5.336 1.00 0.00 O ATOM 582 CG2 THR A 204 -18.703 -2.597 -3.475 1.00 0.00 C ATOM 0 H THR A 204 -17.818 -5.400 -6.110 1.00 0.00 H new ATOM 0 HA THR A 204 -17.132 -2.748 -5.737 1.00 0.00 H new ATOM 0 HB THR A 204 -18.487 -4.696 -3.807 1.00 0.00 H new ATOM 0 HG1 THR A 204 -20.438 -3.935 -4.848 1.00 0.00 H new ATOM 0 HG21 THR A 204 -19.655 -2.697 -2.954 1.00 0.00 H new ATOM 0 HG22 THR A 204 -17.892 -2.566 -2.747 1.00 0.00 H new ATOM 0 HG23 THR A 204 -18.703 -1.676 -4.057 1.00 0.00 H new ATOM 590 N ASP A 205 -15.976 -4.827 -3.426 1.00 0.00 N ATOM 591 CA ASP A 205 -14.971 -5.045 -2.404 1.00 0.00 C ATOM 592 C ASP A 205 -13.588 -4.865 -2.996 1.00 0.00 C ATOM 593 O ASP A 205 -12.764 -4.155 -2.447 1.00 0.00 O ATOM 594 CB ASP A 205 -15.080 -6.469 -1.828 1.00 0.00 C ATOM 595 CG ASP A 205 -16.395 -6.755 -1.129 1.00 0.00 C ATOM 596 OD1 ASP A 205 -17.417 -6.926 -1.827 1.00 0.00 O ATOM 597 OD2 ASP A 205 -16.412 -6.847 0.116 1.00 0.00 O ATOM 0 H ASP A 205 -16.590 -5.627 -3.581 1.00 0.00 H new ATOM 0 HA ASP A 205 -15.136 -4.320 -1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -14.947 -7.188 -2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -14.264 -6.628 -1.123 1.00 0.00 H new ATOM 602 N ILE A 206 -13.365 -5.494 -4.143 1.00 0.00 N ATOM 603 CA ILE A 206 -12.036 -5.620 -4.720 1.00 0.00 C ATOM 604 C ILE A 206 -11.524 -4.316 -5.316 1.00 0.00 C ATOM 605 O ILE A 206 -10.363 -3.965 -5.117 1.00 0.00 O ATOM 606 CB ILE A 206 -12.013 -6.755 -5.760 1.00 0.00 C ATOM 607 CG1 ILE A 206 -12.605 -8.004 -5.112 1.00 0.00 C ATOM 608 CG2 ILE A 206 -10.587 -7.023 -6.195 1.00 0.00 C ATOM 609 CD1 ILE A 206 -13.243 -8.996 -6.045 1.00 0.00 C ATOM 0 H ILE A 206 -14.101 -5.930 -4.698 1.00 0.00 H new ATOM 0 HA ILE A 206 -11.354 -5.870 -3.907 1.00 0.00 H new ATOM 0 HB ILE A 206 -12.595 -6.476 -6.638 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -11.814 -8.512 -4.561 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -13.352 -7.691 -4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -10.576 -7.827 -6.931 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -10.166 -6.120 -6.637 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -9.991 -7.315 -5.330 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -13.627 -9.840 -5.472 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -14.063 -8.517 -6.580 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -12.502 -9.351 -6.761 1.00 0.00 H new ATOM 621 N LYS A 207 -12.372 -3.586 -6.021 1.00 0.00 N ATOM 622 CA LYS A 207 -11.983 -2.275 -6.520 1.00 0.00 C ATOM 623 C LYS A 207 -11.663 -1.381 -5.335 1.00 0.00 C ATOM 624 O LYS A 207 -10.645 -0.702 -5.324 1.00 0.00 O ATOM 625 CB LYS A 207 -13.091 -1.675 -7.403 1.00 0.00 C ATOM 626 CG LYS A 207 -14.299 -1.163 -6.633 1.00 0.00 C ATOM 627 CD LYS A 207 -15.491 -0.904 -7.540 1.00 0.00 C ATOM 628 CE LYS A 207 -15.171 0.091 -8.651 1.00 0.00 C ATOM 629 NZ LYS A 207 -14.678 1.390 -8.121 1.00 0.00 N ATOM 0 H LYS A 207 -13.322 -3.872 -6.259 1.00 0.00 H new ATOM 0 HA LYS A 207 -11.096 -2.364 -7.147 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -12.671 -0.854 -7.984 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -13.422 -2.432 -8.114 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -14.576 -1.891 -5.870 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -14.033 -0.242 -6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -15.819 -1.845 -7.982 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -16.322 -0.525 -6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -14.419 -0.337 -9.314 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -16.065 0.262 -9.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -14.587 2.071 -8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -15.352 1.756 -7.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -13.750 1.252 -7.672 1.00 0.00 H new ATOM 643 N ALA A 208 -12.502 -1.446 -4.306 1.00 0.00 N ATOM 644 CA ALA A 208 -12.283 -0.673 -3.096 1.00 0.00 C ATOM 645 C ALA A 208 -10.987 -1.102 -2.419 1.00 0.00 C ATOM 646 O ALA A 208 -10.250 -0.267 -1.897 1.00 0.00 O ATOM 647 CB ALA A 208 -13.465 -0.816 -2.151 1.00 0.00 C ATOM 0 H ALA A 208 -13.340 -2.028 -4.289 1.00 0.00 H new ATOM 0 HA ALA A 208 -12.193 0.379 -3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -13.283 -0.230 -1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -14.369 -0.456 -2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -13.591 -1.865 -1.882 1.00 0.00 H new ATOM 653 N MET A 209 -10.709 -2.406 -2.451 1.00 0.00 N ATOM 654 CA MET A 209 -9.453 -2.940 -1.938 1.00 0.00 C ATOM 655 C MET A 209 -8.293 -2.244 -2.616 1.00 0.00 C ATOM 656 O MET A 209 -7.451 -1.659 -1.958 1.00 0.00 O ATOM 657 CB MET A 209 -9.330 -4.446 -2.196 1.00 0.00 C ATOM 658 CG MET A 209 -10.317 -5.309 -1.434 1.00 0.00 C ATOM 659 SD MET A 209 -9.977 -7.067 -1.641 1.00 0.00 S ATOM 660 CE MET A 209 -11.566 -7.690 -2.183 1.00 0.00 C ATOM 0 H MET A 209 -11.341 -3.112 -2.829 1.00 0.00 H new ATOM 0 HA MET A 209 -9.437 -2.766 -0.862 1.00 0.00 H new ATOM 0 HB2 MET A 209 -9.459 -4.628 -3.263 1.00 0.00 H new ATOM 0 HB3 MET A 209 -8.319 -4.762 -1.938 1.00 0.00 H new ATOM 0 HG2 MET A 209 -10.279 -5.055 -0.375 1.00 0.00 H new ATOM 0 HG3 MET A 209 -11.329 -5.092 -1.777 1.00 0.00 H new ATOM 0 HE1 MET A 209 -11.518 -8.775 -2.280 1.00 0.00 H new ATOM 0 HE2 MET A 209 -12.330 -7.424 -1.452 1.00 0.00 H new ATOM 0 HE3 MET A 209 -11.819 -7.251 -3.148 1.00 0.00 H new ATOM 670 N GLU A 210 -8.299 -2.283 -3.944 1.00 0.00 N ATOM 671 CA GLU A 210 -7.224 -1.724 -4.758 1.00 0.00 C ATOM 672 C GLU A 210 -6.968 -0.254 -4.444 1.00 0.00 C ATOM 673 O GLU A 210 -5.838 0.218 -4.560 1.00 0.00 O ATOM 674 CB GLU A 210 -7.555 -1.889 -6.239 1.00 0.00 C ATOM 675 CG GLU A 210 -7.728 -3.338 -6.658 1.00 0.00 C ATOM 676 CD GLU A 210 -8.092 -3.475 -8.117 1.00 0.00 C ATOM 677 OE1 GLU A 210 -9.022 -2.777 -8.573 1.00 0.00 O ATOM 678 OE2 GLU A 210 -7.446 -4.278 -8.824 1.00 0.00 O ATOM 0 H GLU A 210 -9.052 -2.704 -4.489 1.00 0.00 H new ATOM 0 HA GLU A 210 -6.313 -2.273 -4.518 1.00 0.00 H new ATOM 0 HB2 GLU A 210 -8.471 -1.342 -6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 210 -6.761 -1.438 -6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 210 -6.804 -3.882 -6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 210 -8.504 -3.800 -6.048 1.00 0.00 H new ATOM 685 N ARG A 211 -8.005 0.470 -4.043 1.00 0.00 N ATOM 686 CA ARG A 211 -7.841 1.880 -3.708 1.00 0.00 C ATOM 687 C ARG A 211 -7.028 2.002 -2.432 1.00 0.00 C ATOM 688 O ARG A 211 -6.041 2.742 -2.354 1.00 0.00 O ATOM 689 CB ARG A 211 -9.187 2.592 -3.511 1.00 0.00 C ATOM 690 CG ARG A 211 -10.314 2.160 -4.444 1.00 0.00 C ATOM 691 CD ARG A 211 -9.869 1.952 -5.901 1.00 0.00 C ATOM 692 NE ARG A 211 -8.730 2.791 -6.293 1.00 0.00 N ATOM 693 CZ ARG A 211 -7.875 2.467 -7.269 1.00 0.00 C ATOM 694 NH1 ARG A 211 -8.086 1.393 -8.019 1.00 0.00 N ATOM 695 NH2 ARG A 211 -6.806 3.215 -7.490 1.00 0.00 N ATOM 0 H ARG A 211 -8.955 0.112 -3.943 1.00 0.00 H new ATOM 0 HA ARG A 211 -7.329 2.358 -4.543 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -9.512 2.434 -2.483 1.00 0.00 H new ATOM 0 HB3 ARG A 211 -9.030 3.664 -3.634 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -10.747 1.232 -4.070 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -11.102 2.912 -4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -9.605 0.904 -6.045 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -10.709 2.163 -6.562 1.00 0.00 H new ATOM 0 HE ARG A 211 -8.583 3.668 -5.794 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -8.905 0.808 -7.853 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -7.429 1.152 -8.762 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -6.633 4.040 -6.916 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -6.155 2.967 -8.235 1.00 0.00 H new ATOM 709 N VAL A 212 -7.451 1.249 -1.437 1.00 0.00 N ATOM 710 CA VAL A 212 -6.766 1.192 -0.162 1.00 0.00 C ATOM 711 C VAL A 212 -5.365 0.632 -0.357 1.00 0.00 C ATOM 712 O VAL A 212 -4.434 1.000 0.345 1.00 0.00 O ATOM 713 CB VAL A 212 -7.549 0.309 0.826 1.00 0.00 C ATOM 714 CG1 VAL A 212 -7.003 0.445 2.238 1.00 0.00 C ATOM 715 CG2 VAL A 212 -9.025 0.663 0.773 1.00 0.00 C ATOM 0 H VAL A 212 -8.281 0.658 -1.490 1.00 0.00 H new ATOM 0 HA VAL A 212 -6.698 2.200 0.247 1.00 0.00 H new ATOM 0 HB VAL A 212 -7.428 -0.734 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 212 -7.577 -0.191 2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 212 -5.957 0.140 2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 212 -7.084 1.483 2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 212 -9.575 0.035 1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 212 -9.158 1.711 1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 212 -9.403 0.497 -0.236 1.00 0.00 H new ATOM 725 N VAL A 213 -5.249 -0.259 -1.328 1.00 0.00 N ATOM 726 CA VAL A 213 -3.992 -0.908 -1.676 1.00 0.00 C ATOM 727 C VAL A 213 -2.994 0.058 -2.310 1.00 0.00 C ATOM 728 O VAL A 213 -1.809 0.032 -1.965 1.00 0.00 O ATOM 729 CB VAL A 213 -4.234 -2.085 -2.637 1.00 0.00 C ATOM 730 CG1 VAL A 213 -2.934 -2.542 -3.257 1.00 0.00 C ATOM 731 CG2 VAL A 213 -4.902 -3.238 -1.916 1.00 0.00 C ATOM 0 H VAL A 213 -6.035 -0.557 -1.906 1.00 0.00 H new ATOM 0 HA VAL A 213 -3.565 -1.273 -0.742 1.00 0.00 H new ATOM 0 HB VAL A 213 -4.897 -1.742 -3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 213 -3.126 -3.375 -3.933 1.00 0.00 H new ATOM 0 HG12 VAL A 213 -2.487 -1.718 -3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 213 -2.249 -2.863 -2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 213 -5.064 -4.059 -2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 213 -4.263 -3.576 -1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -5.860 -2.910 -1.514 1.00 0.00 H new ATOM 741 N GLU A 214 -3.447 0.900 -3.240 1.00 0.00 N ATOM 742 CA GLU A 214 -2.543 1.860 -3.864 1.00 0.00 C ATOM 743 C GLU A 214 -1.936 2.740 -2.781 1.00 0.00 C ATOM 744 O GLU A 214 -0.738 3.014 -2.782 1.00 0.00 O ATOM 745 CB GLU A 214 -3.253 2.709 -4.935 1.00 0.00 C ATOM 746 CG GLU A 214 -4.144 3.810 -4.382 1.00 0.00 C ATOM 747 CD GLU A 214 -4.795 4.643 -5.464 1.00 0.00 C ATOM 748 OE1 GLU A 214 -4.072 5.206 -6.309 1.00 0.00 O ATOM 749 OE2 GLU A 214 -6.038 4.740 -5.480 1.00 0.00 O ATOM 0 H GLU A 214 -4.411 0.936 -3.570 1.00 0.00 H new ATOM 0 HA GLU A 214 -1.753 1.313 -4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 214 -2.499 3.160 -5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 214 -3.857 2.051 -5.560 1.00 0.00 H new ATOM 0 HG2 GLU A 214 -4.919 3.364 -3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 214 -3.552 4.460 -3.738 1.00 0.00 H new ATOM 756 N GLN A 215 -2.769 3.132 -1.827 1.00 0.00 N ATOM 757 CA GLN A 215 -2.310 3.875 -0.671 1.00 0.00 C ATOM 758 C GLN A 215 -1.550 2.977 0.289 1.00 0.00 C ATOM 759 O GLN A 215 -0.722 3.454 1.030 1.00 0.00 O ATOM 760 CB GLN A 215 -3.477 4.555 0.035 1.00 0.00 C ATOM 761 CG GLN A 215 -4.011 5.755 -0.727 1.00 0.00 C ATOM 762 CD GLN A 215 -3.000 6.882 -0.827 1.00 0.00 C ATOM 763 OE1 GLN A 215 -2.927 7.745 0.048 1.00 0.00 O ATOM 764 NE2 GLN A 215 -2.222 6.891 -1.899 1.00 0.00 N ATOM 0 H GLN A 215 -3.772 2.944 -1.835 1.00 0.00 H new ATOM 0 HA GLN A 215 -1.626 4.648 -1.021 1.00 0.00 H new ATOM 0 HB2 GLN A 215 -4.281 3.833 0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 215 -3.159 4.874 1.028 1.00 0.00 H new ATOM 0 HG2 GLN A 215 -4.302 5.443 -1.730 1.00 0.00 H new ATOM 0 HG3 GLN A 215 -4.911 6.122 -0.234 1.00 0.00 H new ATOM 0 HE21 GLN A 215 -2.314 6.157 -2.602 1.00 0.00 H new ATOM 0 HE22 GLN A 215 -1.531 7.632 -2.022 1.00 0.00 H new ATOM 773 N MET A 216 -1.839 1.685 0.284 1.00 0.00 N ATOM 774 CA MET A 216 -1.152 0.746 1.167 1.00 0.00 C ATOM 775 C MET A 216 0.339 0.714 0.859 1.00 0.00 C ATOM 776 O MET A 216 1.172 0.843 1.753 1.00 0.00 O ATOM 777 CB MET A 216 -1.768 -0.663 1.077 1.00 0.00 C ATOM 778 CG MET A 216 -1.079 -1.692 1.964 1.00 0.00 C ATOM 779 SD MET A 216 -2.166 -3.051 2.464 1.00 0.00 S ATOM 780 CE MET A 216 -2.510 -3.857 0.901 1.00 0.00 C ATOM 0 H MET A 216 -2.543 1.260 -0.319 1.00 0.00 H new ATOM 0 HA MET A 216 -1.281 1.093 2.192 1.00 0.00 H new ATOM 0 HB2 MET A 216 -2.821 -0.607 1.352 1.00 0.00 H new ATOM 0 HB3 MET A 216 -1.726 -1.003 0.042 1.00 0.00 H new ATOM 0 HG2 MET A 216 -0.219 -2.101 1.434 1.00 0.00 H new ATOM 0 HG3 MET A 216 -0.697 -1.195 2.856 1.00 0.00 H new ATOM 0 HE1 MET A 216 -3.492 -4.329 0.943 1.00 0.00 H new ATOM 0 HE2 MET A 216 -2.497 -3.118 0.100 1.00 0.00 H new ATOM 0 HE3 MET A 216 -1.751 -4.615 0.708 1.00 0.00 H new ATOM 790 N CYS A 217 0.669 0.582 -0.410 1.00 0.00 N ATOM 791 CA CYS A 217 2.065 0.579 -0.826 1.00 0.00 C ATOM 792 C CYS A 217 2.642 1.983 -0.876 1.00 0.00 C ATOM 793 O CYS A 217 3.788 2.189 -0.507 1.00 0.00 O ATOM 794 CB CYS A 217 2.246 -0.111 -2.170 1.00 0.00 C ATOM 795 SG CYS A 217 2.524 -1.900 -2.021 1.00 0.00 S ATOM 0 H CYS A 217 -0.003 0.476 -1.170 1.00 0.00 H new ATOM 0 HA CYS A 217 2.614 0.014 -0.073 1.00 0.00 H new ATOM 0 HB2 CYS A 217 1.362 0.063 -2.783 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.090 0.340 -2.692 1.00 0.00 H new ATOM 800 N ILE A 218 1.858 2.950 -1.325 1.00 0.00 N ATOM 801 CA ILE A 218 2.322 4.331 -1.366 1.00 0.00 C ATOM 802 C ILE A 218 2.554 4.858 0.051 1.00 0.00 C ATOM 803 O ILE A 218 3.429 5.689 0.284 1.00 0.00 O ATOM 804 CB ILE A 218 1.340 5.210 -2.174 1.00 0.00 C ATOM 805 CG1 ILE A 218 1.531 4.911 -3.659 1.00 0.00 C ATOM 806 CG2 ILE A 218 1.542 6.685 -1.905 1.00 0.00 C ATOM 807 CD1 ILE A 218 0.528 5.581 -4.572 1.00 0.00 C ATOM 0 H ILE A 218 0.906 2.809 -1.664 1.00 0.00 H new ATOM 0 HA ILE A 218 3.281 4.372 -1.882 1.00 0.00 H new ATOM 0 HB ILE A 218 0.323 4.970 -1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 218 2.534 5.222 -3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 218 1.475 3.833 -3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 218 0.830 7.263 -2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 218 1.384 6.887 -0.845 1.00 0.00 H new ATOM 0 HG23 ILE A 218 2.557 6.969 -2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 218 0.741 5.312 -5.607 1.00 0.00 H new ATOM 0 HD12 ILE A 218 -0.478 5.252 -4.311 1.00 0.00 H new ATOM 0 HD13 ILE A 218 0.597 6.663 -4.457 1.00 0.00 H new ATOM 819 N THR A 219 1.792 4.337 0.997 1.00 0.00 N ATOM 820 CA THR A 219 2.054 4.573 2.414 1.00 0.00 C ATOM 821 C THR A 219 3.371 3.919 2.845 1.00 0.00 C ATOM 822 O THR A 219 4.136 4.500 3.612 1.00 0.00 O ATOM 823 CB THR A 219 0.885 4.056 3.286 1.00 0.00 C ATOM 824 OG1 THR A 219 -0.261 4.895 3.102 1.00 0.00 O ATOM 825 CG2 THR A 219 1.247 4.007 4.758 1.00 0.00 C ATOM 0 H THR A 219 0.982 3.745 0.812 1.00 0.00 H new ATOM 0 HA THR A 219 2.142 5.650 2.561 1.00 0.00 H new ATOM 0 HB THR A 219 0.662 3.038 2.967 1.00 0.00 H new ATOM 0 HG1 THR A 219 -0.817 4.535 2.379 1.00 0.00 H new ATOM 0 HG21 THR A 219 0.396 3.638 5.330 1.00 0.00 H new ATOM 0 HG22 THR A 219 2.097 3.340 4.902 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.509 5.008 5.102 1.00 0.00 H new ATOM 833 N GLN A 220 3.638 2.719 2.339 1.00 0.00 N ATOM 834 CA GLN A 220 4.915 2.041 2.595 1.00 0.00 C ATOM 835 C GLN A 220 6.066 2.815 1.958 1.00 0.00 C ATOM 836 O GLN A 220 7.202 2.786 2.433 1.00 0.00 O ATOM 837 CB GLN A 220 4.884 0.611 2.061 1.00 0.00 C ATOM 838 CG GLN A 220 3.988 -0.312 2.865 1.00 0.00 C ATOM 839 CD GLN A 220 4.491 -0.539 4.281 1.00 0.00 C ATOM 840 OE1 GLN A 220 3.704 -0.733 5.206 1.00 0.00 O ATOM 841 NE2 GLN A 220 5.804 -0.528 4.462 1.00 0.00 N ATOM 0 H GLN A 220 2.992 2.193 1.750 1.00 0.00 H new ATOM 0 HA GLN A 220 5.071 2.004 3.673 1.00 0.00 H new ATOM 0 HB2 GLN A 220 4.544 0.625 1.026 1.00 0.00 H new ATOM 0 HB3 GLN A 220 5.898 0.210 2.058 1.00 0.00 H new ATOM 0 HG2 GLN A 220 2.983 0.109 2.905 1.00 0.00 H new ATOM 0 HG3 GLN A 220 3.911 -1.272 2.354 1.00 0.00 H new ATOM 0 HE21 GLN A 220 6.427 -0.364 3.671 1.00 0.00 H new ATOM 0 HE22 GLN A 220 6.192 -0.684 5.392 1.00 0.00 H new ATOM 850 N TYR A 221 5.757 3.492 0.869 1.00 0.00 N ATOM 851 CA TYR A 221 6.682 4.407 0.228 1.00 0.00 C ATOM 852 C TYR A 221 6.946 5.607 1.133 1.00 0.00 C ATOM 853 O TYR A 221 8.088 6.025 1.312 1.00 0.00 O ATOM 854 CB TYR A 221 6.102 4.840 -1.121 1.00 0.00 C ATOM 855 CG TYR A 221 6.536 6.212 -1.581 1.00 0.00 C ATOM 856 CD1 TYR A 221 7.798 6.423 -2.115 1.00 0.00 C ATOM 857 CD2 TYR A 221 5.672 7.297 -1.484 1.00 0.00 C ATOM 858 CE1 TYR A 221 8.187 7.678 -2.539 1.00 0.00 C ATOM 859 CE2 TYR A 221 6.054 8.553 -1.903 1.00 0.00 C ATOM 860 CZ TYR A 221 7.311 8.739 -2.430 1.00 0.00 C ATOM 861 OH TYR A 221 7.690 9.989 -2.858 1.00 0.00 O ATOM 0 H TYR A 221 4.853 3.423 0.402 1.00 0.00 H new ATOM 0 HA TYR A 221 7.637 3.911 0.054 1.00 0.00 H new ATOM 0 HB2 TYR A 221 6.391 4.110 -1.877 1.00 0.00 H new ATOM 0 HB3 TYR A 221 5.014 4.820 -1.057 1.00 0.00 H new ATOM 0 HD1 TYR A 221 8.486 5.595 -2.200 1.00 0.00 H new ATOM 0 HD2 TYR A 221 4.684 7.153 -1.073 1.00 0.00 H new ATOM 0 HE1 TYR A 221 9.173 7.829 -2.954 1.00 0.00 H new ATOM 0 HE2 TYR A 221 5.371 9.386 -1.818 1.00 0.00 H new ATOM 0 HH TYR A 221 8.630 9.969 -3.135 1.00 0.00 H new ATOM 871 N GLN A 222 5.884 6.150 1.719 1.00 0.00 N ATOM 872 CA GLN A 222 6.024 7.241 2.676 1.00 0.00 C ATOM 873 C GLN A 222 6.790 6.763 3.904 1.00 0.00 C ATOM 874 O GLN A 222 7.477 7.539 4.561 1.00 0.00 O ATOM 875 CB GLN A 222 4.657 7.801 3.071 1.00 0.00 C ATOM 876 CG GLN A 222 3.880 8.360 1.888 1.00 0.00 C ATOM 877 CD GLN A 222 2.557 8.977 2.285 1.00 0.00 C ATOM 878 OE1 GLN A 222 1.937 8.577 3.271 1.00 0.00 O ATOM 879 NE2 GLN A 222 2.116 9.955 1.513 1.00 0.00 N ATOM 0 H GLN A 222 4.923 5.855 1.549 1.00 0.00 H new ATOM 0 HA GLN A 222 6.588 8.046 2.204 1.00 0.00 H new ATOM 0 HB2 GLN A 222 4.071 7.013 3.544 1.00 0.00 H new ATOM 0 HB3 GLN A 222 4.793 8.587 3.814 1.00 0.00 H new ATOM 0 HG2 GLN A 222 4.488 9.111 1.384 1.00 0.00 H new ATOM 0 HG3 GLN A 222 3.700 7.561 1.169 1.00 0.00 H new ATOM 0 HE21 GLN A 222 2.663 10.254 0.706 1.00 0.00 H new ATOM 0 HE22 GLN A 222 1.228 10.411 1.724 1.00 0.00 H new ATOM 888 N ARG A 223 6.663 5.474 4.202 1.00 0.00 N ATOM 889 CA ARG A 223 7.470 4.839 5.232 1.00 0.00 C ATOM 890 C ARG A 223 8.950 4.972 4.897 1.00 0.00 C ATOM 891 O ARG A 223 9.721 5.515 5.677 1.00 0.00 O ATOM 892 CB ARG A 223 7.103 3.355 5.372 1.00 0.00 C ATOM 893 CG ARG A 223 8.244 2.508 5.912 1.00 0.00 C ATOM 894 CD ARG A 223 8.611 2.933 7.311 1.00 0.00 C ATOM 895 NE ARG A 223 9.835 2.291 7.786 1.00 0.00 N ATOM 896 CZ ARG A 223 10.362 2.515 8.987 1.00 0.00 C ATOM 897 NH1 ARG A 223 9.719 3.286 9.857 1.00 0.00 N ATOM 898 NH2 ARG A 223 11.518 1.957 9.325 1.00 0.00 N ATOM 0 H ARG A 223 6.004 4.847 3.740 1.00 0.00 H new ATOM 0 HA ARG A 223 7.269 5.340 6.179 1.00 0.00 H new ATOM 0 HB2 ARG A 223 6.243 3.260 6.035 1.00 0.00 H new ATOM 0 HB3 ARG A 223 6.800 2.968 4.399 1.00 0.00 H new ATOM 0 HG2 ARG A 223 7.955 1.457 5.910 1.00 0.00 H new ATOM 0 HG3 ARG A 223 9.112 2.601 5.259 1.00 0.00 H new ATOM 0 HD2 ARG A 223 8.738 4.015 7.337 1.00 0.00 H new ATOM 0 HD3 ARG A 223 7.791 2.692 7.988 1.00 0.00 H new ATOM 0 HE ARG A 223 10.310 1.637 7.164 1.00 0.00 H new ATOM 0 HH11 ARG A 223 8.824 3.704 9.603 1.00 0.00 H new ATOM 0 HH12 ARG A 223 10.120 3.460 10.779 1.00 0.00 H new ATOM 0 HH21 ARG A 223 12.006 1.354 8.663 1.00 0.00 H new ATOM 0 HH22 ARG A 223 11.918 2.132 10.247 1.00 0.00 H new ATOM 912 N GLU A 224 9.328 4.432 3.748 1.00 0.00 N ATOM 913 CA GLU A 224 10.699 4.524 3.244 1.00 0.00 C ATOM 914 C GLU A 224 11.214 5.957 3.287 1.00 0.00 C ATOM 915 O GLU A 224 12.261 6.234 3.875 1.00 0.00 O ATOM 916 CB GLU A 224 10.788 3.962 1.803 1.00 0.00 C ATOM 917 CG GLU A 224 11.952 4.506 1.005 1.00 0.00 C ATOM 918 CD GLU A 224 11.599 5.778 0.263 1.00 0.00 C ATOM 919 OE1 GLU A 224 10.557 5.793 -0.418 1.00 0.00 O ATOM 920 OE2 GLU A 224 12.355 6.763 0.375 1.00 0.00 O ATOM 0 H GLU A 224 8.696 3.917 3.135 1.00 0.00 H new ATOM 0 HA GLU A 224 11.332 3.922 3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 224 10.869 2.876 1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 224 9.861 4.190 1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 224 12.789 4.700 1.675 1.00 0.00 H new ATOM 0 HG3 GLU A 224 12.283 3.752 0.291 1.00 0.00 H new ATOM 927 N SER A 225 10.481 6.868 2.676 1.00 0.00 N ATOM 928 CA SER A 225 10.942 8.234 2.567 1.00 0.00 C ATOM 929 C SER A 225 10.952 8.903 3.931 1.00 0.00 C ATOM 930 O SER A 225 11.627 9.902 4.128 1.00 0.00 O ATOM 931 CB SER A 225 10.081 9.007 1.565 1.00 0.00 C ATOM 932 OG SER A 225 8.707 8.712 1.736 1.00 0.00 O ATOM 0 H SER A 225 9.571 6.687 2.251 1.00 0.00 H new ATOM 0 HA SER A 225 11.966 8.233 2.194 1.00 0.00 H new ATOM 0 HB2 SER A 225 10.244 10.077 1.691 1.00 0.00 H new ATOM 0 HB3 SER A 225 10.386 8.755 0.549 1.00 0.00 H new ATOM 0 HG SER A 225 8.529 7.796 1.435 1.00 0.00 H new ATOM 938 N GLN A 226 10.191 8.362 4.867 1.00 0.00 N ATOM 939 CA GLN A 226 10.314 8.761 6.259 1.00 0.00 C ATOM 940 C GLN A 226 11.609 8.223 6.801 1.00 0.00 C ATOM 941 O GLN A 226 12.375 8.950 7.431 1.00 0.00 O ATOM 942 CB GLN A 226 9.156 8.201 7.097 1.00 0.00 C ATOM 943 CG GLN A 226 8.865 8.933 8.412 1.00 0.00 C ATOM 944 CD GLN A 226 9.958 8.845 9.483 1.00 0.00 C ATOM 945 OE1 GLN A 226 10.070 9.734 10.326 1.00 0.00 O ATOM 946 NE2 GLN A 226 10.793 7.813 9.448 1.00 0.00 N ATOM 0 H GLN A 226 9.484 7.648 4.690 1.00 0.00 H new ATOM 0 HA GLN A 226 10.290 9.849 6.315 1.00 0.00 H new ATOM 0 HB2 GLN A 226 8.252 8.216 6.488 1.00 0.00 H new ATOM 0 HB3 GLN A 226 9.370 7.157 7.325 1.00 0.00 H new ATOM 0 HG2 GLN A 226 8.686 9.985 8.188 1.00 0.00 H new ATOM 0 HG3 GLN A 226 7.941 8.535 8.830 1.00 0.00 H new ATOM 0 HE21 GLN A 226 10.679 7.089 8.739 1.00 0.00 H new ATOM 0 HE22 GLN A 226 11.548 7.745 10.130 1.00 0.00 H new ATOM 955 N ALA A 227 11.836 6.938 6.535 1.00 0.00 N ATOM 956 CA ALA A 227 12.921 6.196 7.132 1.00 0.00 C ATOM 957 C ALA A 227 14.223 6.969 7.021 1.00 0.00 C ATOM 958 O ALA A 227 14.934 7.127 8.013 1.00 0.00 O ATOM 959 CB ALA A 227 13.027 4.819 6.479 1.00 0.00 C ATOM 0 H ALA A 227 11.264 6.388 5.894 1.00 0.00 H new ATOM 0 HA ALA A 227 12.717 6.055 8.193 1.00 0.00 H new ATOM 0 HB1 ALA A 227 13.847 4.263 6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 227 12.094 4.274 6.626 1.00 0.00 H new ATOM 0 HB3 ALA A 227 13.215 4.936 5.412 1.00 0.00 H new ATOM 965 N TYR A 228 14.554 7.457 5.833 1.00 0.00 N ATOM 966 CA TYR A 228 15.708 8.326 5.730 1.00 0.00 C ATOM 967 C TYR A 228 15.347 9.813 5.813 1.00 0.00 C ATOM 968 O TYR A 228 16.205 10.642 6.117 1.00 0.00 O ATOM 969 CB TYR A 228 16.532 8.050 4.472 1.00 0.00 C ATOM 970 CG TYR A 228 17.825 8.836 4.436 1.00 0.00 C ATOM 971 CD1 TYR A 228 18.776 8.668 5.430 1.00 0.00 C ATOM 972 CD2 TYR A 228 18.088 9.751 3.424 1.00 0.00 C ATOM 973 CE1 TYR A 228 19.952 9.387 5.421 1.00 0.00 C ATOM 974 CE2 TYR A 228 19.268 10.473 3.406 1.00 0.00 C ATOM 975 CZ TYR A 228 20.195 10.287 4.410 1.00 0.00 C ATOM 976 OH TYR A 228 21.374 10.999 4.404 1.00 0.00 O ATOM 0 H TYR A 228 14.059 7.273 4.960 1.00 0.00 H new ATOM 0 HA TYR A 228 16.323 8.090 6.599 1.00 0.00 H new ATOM 0 HB2 TYR A 228 16.757 6.985 4.417 1.00 0.00 H new ATOM 0 HB3 TYR A 228 15.938 8.296 3.592 1.00 0.00 H new ATOM 0 HD1 TYR A 228 18.592 7.961 6.226 1.00 0.00 H new ATOM 0 HD2 TYR A 228 17.361 9.901 2.640 1.00 0.00 H new ATOM 0 HE1 TYR A 228 20.680 9.244 6.206 1.00 0.00 H new ATOM 0 HE2 TYR A 228 19.462 11.178 2.611 1.00 0.00 H new ATOM 0 HH TYR A 228 21.394 11.592 3.624 1.00 0.00 H new ATOM 986 N TYR A 229 14.072 10.130 5.567 1.00 0.00 N ATOM 987 CA TYR A 229 13.608 11.508 5.390 1.00 0.00 C ATOM 988 C TYR A 229 14.016 12.026 4.011 1.00 0.00 C ATOM 989 O TYR A 229 14.780 12.980 3.872 1.00 0.00 O ATOM 990 CB TYR A 229 14.088 12.448 6.505 1.00 0.00 C ATOM 991 CG TYR A 229 13.442 13.818 6.452 1.00 0.00 C ATOM 992 CD1 TYR A 229 12.069 13.961 6.613 1.00 0.00 C ATOM 993 CD2 TYR A 229 14.198 14.964 6.231 1.00 0.00 C ATOM 994 CE1 TYR A 229 11.468 15.204 6.553 1.00 0.00 C ATOM 995 CE2 TYR A 229 13.603 16.209 6.174 1.00 0.00 C ATOM 996 CZ TYR A 229 12.238 16.323 6.334 1.00 0.00 C ATOM 997 OH TYR A 229 11.641 17.560 6.269 1.00 0.00 O ATOM 0 H TYR A 229 13.330 9.435 5.485 1.00 0.00 H new ATOM 0 HA TYR A 229 12.520 11.495 5.457 1.00 0.00 H new ATOM 0 HB2 TYR A 229 13.877 11.991 7.472 1.00 0.00 H new ATOM 0 HB3 TYR A 229 15.170 12.561 6.435 1.00 0.00 H new ATOM 0 HD1 TYR A 229 11.461 13.086 6.788 1.00 0.00 H new ATOM 0 HD2 TYR A 229 15.267 14.879 6.102 1.00 0.00 H new ATOM 0 HE1 TYR A 229 10.399 15.297 6.677 1.00 0.00 H new ATOM 0 HE2 TYR A 229 14.204 17.090 6.005 1.00 0.00 H new ATOM 0 HH TYR A 229 12.324 18.245 6.110 1.00 0.00 H new