USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 521 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 197 LYS NZ :NH3+ -172:sc= -0.275 (180deg=-0.607) USER MOD Set 1.2: A 200 ASN : amide:sc= -0.324 K(o=-0.6,f=-4.4) USER MOD Set 2.1: A 190 HIS : no HD1:sc= -0.0503 K(o=-4.1,f=-6.4) USER MOD Set 2.2: A 216 MET CE :methyl -144:sc= -4.02! (180deg=-7.59!) USER MOD Set 3.1: A 174 ASN : amide:sc= 0.952 K(o=1.6,f=-0.37) USER MOD Set 3.2: A 177 ASN : amide:sc= 0.617 K(o=1.6,f=-3.7) USER MOD Single : A 171 GLN : amide:sc= -1.01 K(o=-1,f=-7.7!) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 173 SER OG : rot 180:sc= 0.0249 USER MOD Single : A 175 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 176 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 180 HIS : no HD1:sc= -0.0679 K(o=-0.068,f=-1) USER MOD Single : A 184 ASN : amide:sc= 1.06 K(o=1.1,f=-0.23) USER MOD Single : A 186 THR OG1 : rot -103:sc= -0.553! USER MOD Single : A 188 LYS NZ :NH3+ -150:sc= -0.223 (180deg=-0.924) USER MOD Single : A 189 GLN :FLIP amide:sc= -0.224 F(o=-2.3!,f=-0.22) USER MOD Single : A 191 THR OG1 : rot -14:sc= 0.595 USER MOD Single : A 193 THR OG1 : rot 180:sc= 0 USER MOD Single : A 194 THR OG1 : rot 86:sc= 1.22 USER MOD Single : A 195 THR OG1 : rot 87:sc= 1.32 USER MOD Single : A 196 THR OG1 : rot -18:sc= 0.88 USER MOD Single : A 202 THR OG1 : rot 180:sc= 0 USER MOD Single : A 204 THR OG1 : rot 180:sc= 0.00248 USER MOD Single : A 207 LYS NZ :NH3+ 151:sc= 1.21 (180deg=0.939) USER MOD Single : A 209 MET CE :methyl -143:sc= -15.4! (180deg=-16.3!) USER MOD Single : A 215 GLN : amide:sc= -0.614 X(o=-0.61,f=-0.25) USER MOD Single : A 219 THR OG1 : rot 83:sc= 0.982 USER MOD Single : A 220 GLN :FLIP amide:sc= -0.445 F(o=-3.9!,f=-0.45) USER MOD Single : A 221 TYR OH : rot -29:sc= 0.0415 USER MOD Single : A 222 GLN : amide:sc= -0.623 X(o=-0.62,f=-0.41) USER MOD Single : A 225 SER OG : rot 74:sc= 0.571 USER MOD Single : A 226 GLN :FLIP amide:sc= -0.0416 F(o=-3.4,f=-0.042) USER MOD Single : A 228 TYR OH : rot 180:sc= 0 USER MOD Single : A 229 TYR OH : rot 180:sc= 0 USER MOD Single : A 230 GLN : amide:sc= -4.45! C(o=-4.5!,f=-7.8!) USER MOD Single : A 234 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 167 20.539 5.075 -0.395 1.00 0.00 N ATOM 2 CA ARG A 167 19.384 5.160 0.525 1.00 0.00 C ATOM 3 C ARG A 167 18.603 3.855 0.536 1.00 0.00 C ATOM 4 O ARG A 167 18.418 3.228 -0.502 1.00 0.00 O ATOM 5 CB ARG A 167 18.438 6.285 0.111 1.00 0.00 C ATOM 6 CG ARG A 167 18.978 7.681 0.348 1.00 0.00 C ATOM 7 CD ARG A 167 17.930 8.724 0.003 1.00 0.00 C ATOM 8 NE ARG A 167 18.384 10.089 0.272 1.00 0.00 N ATOM 9 CZ ARG A 167 18.198 11.122 -0.556 1.00 0.00 C ATOM 10 NH1 ARG A 167 17.613 10.949 -1.737 1.00 0.00 N ATOM 11 NH2 ARG A 167 18.612 12.333 -0.205 1.00 0.00 N ATOM 0 HA ARG A 167 19.780 5.361 1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 167 18.204 6.175 -0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 167 17.501 6.174 0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 167 19.277 7.789 1.391 1.00 0.00 H new ATOM 0 HG3 ARG A 167 19.870 7.840 -0.258 1.00 0.00 H new ATOM 0 HD2 ARG A 167 17.666 8.634 -1.051 1.00 0.00 H new ATOM 0 HD3 ARG A 167 17.024 8.527 0.576 1.00 0.00 H new ATOM 0 HE ARG A 167 18.875 10.264 1.149 1.00 0.00 H new ATOM 0 HH11 ARG A 167 17.300 10.020 -2.020 1.00 0.00 H new ATOM 0 HH12 ARG A 167 17.477 11.745 -2.360 1.00 0.00 H new ATOM 0 HH21 ARG A 167 19.071 12.474 0.695 1.00 0.00 H new ATOM 0 HH22 ARG A 167 18.471 13.123 -0.835 1.00 0.00 H new ATOM 25 N PRO A 168 18.118 3.433 1.711 1.00 0.00 N ATOM 26 CA PRO A 168 17.272 2.253 1.838 1.00 0.00 C ATOM 27 C PRO A 168 15.790 2.603 1.743 1.00 0.00 C ATOM 28 O PRO A 168 14.934 1.914 2.287 1.00 0.00 O ATOM 29 CB PRO A 168 17.632 1.751 3.231 1.00 0.00 C ATOM 30 CG PRO A 168 17.943 2.988 4.013 1.00 0.00 C ATOM 31 CD PRO A 168 18.383 4.046 3.024 1.00 0.00 C ATOM 0 HA PRO A 168 17.432 1.520 1.048 1.00 0.00 H new ATOM 0 HB2 PRO A 168 16.806 1.197 3.678 1.00 0.00 H new ATOM 0 HB3 PRO A 168 18.488 1.077 3.200 1.00 0.00 H new ATOM 0 HG2 PRO A 168 17.067 3.322 4.569 1.00 0.00 H new ATOM 0 HG3 PRO A 168 18.729 2.794 4.743 1.00 0.00 H new ATOM 0 HD2 PRO A 168 17.823 4.972 3.153 1.00 0.00 H new ATOM 0 HD3 PRO A 168 19.438 4.292 3.145 1.00 0.00 H new ATOM 39 N VAL A 169 15.516 3.680 1.033 1.00 0.00 N ATOM 40 CA VAL A 169 14.159 4.187 0.887 1.00 0.00 C ATOM 41 C VAL A 169 13.725 4.197 -0.566 1.00 0.00 C ATOM 42 O VAL A 169 12.944 5.060 -0.964 1.00 0.00 O ATOM 43 CB VAL A 169 13.967 5.614 1.444 1.00 0.00 C ATOM 44 CG1 VAL A 169 14.361 5.711 2.903 1.00 0.00 C ATOM 45 CG2 VAL A 169 14.732 6.636 0.612 1.00 0.00 C ATOM 0 H VAL A 169 16.222 4.229 0.542 1.00 0.00 H new ATOM 0 HA VAL A 169 13.546 3.502 1.472 1.00 0.00 H new ATOM 0 HB VAL A 169 12.903 5.841 1.376 1.00 0.00 H new ATOM 0 HG11 VAL A 169 14.210 6.732 3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 169 13.746 5.030 3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 169 15.411 5.441 3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 169 14.578 7.632 1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 169 15.795 6.396 0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 169 14.371 6.612 -0.416 1.00 0.00 H new ATOM 55 N ASP A 170 14.249 3.282 -1.374 1.00 0.00 N ATOM 56 CA ASP A 170 13.936 3.270 -2.811 1.00 0.00 C ATOM 57 C ASP A 170 12.427 3.215 -3.069 1.00 0.00 C ATOM 58 O ASP A 170 11.982 3.385 -4.202 1.00 0.00 O ATOM 59 CB ASP A 170 14.631 2.115 -3.534 1.00 0.00 C ATOM 60 CG ASP A 170 16.114 2.354 -3.719 1.00 0.00 C ATOM 61 OD1 ASP A 170 16.493 3.135 -4.616 1.00 0.00 O ATOM 62 OD2 ASP A 170 16.912 1.765 -2.965 1.00 0.00 O ATOM 0 H ASP A 170 14.885 2.545 -1.070 1.00 0.00 H new ATOM 0 HA ASP A 170 14.317 4.208 -3.214 1.00 0.00 H new ATOM 0 HB2 ASP A 170 14.483 1.195 -2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 170 14.166 1.969 -4.509 1.00 0.00 H new ATOM 67 N GLN A 171 11.657 2.978 -2.013 1.00 0.00 N ATOM 68 CA GLN A 171 10.209 3.141 -2.038 1.00 0.00 C ATOM 69 C GLN A 171 9.849 4.550 -2.526 1.00 0.00 C ATOM 70 O GLN A 171 8.859 4.748 -3.225 1.00 0.00 O ATOM 71 CB GLN A 171 9.636 2.917 -0.626 1.00 0.00 C ATOM 72 CG GLN A 171 9.179 1.490 -0.326 1.00 0.00 C ATOM 73 CD GLN A 171 10.292 0.454 -0.312 1.00 0.00 C ATOM 74 OE1 GLN A 171 11.289 0.564 -1.020 1.00 0.00 O ATOM 75 NE2 GLN A 171 10.125 -0.567 0.509 1.00 0.00 N ATOM 0 H GLN A 171 12.021 2.666 -1.113 1.00 0.00 H new ATOM 0 HA GLN A 171 9.780 2.408 -2.721 1.00 0.00 H new ATOM 0 HB2 GLN A 171 10.394 3.200 0.105 1.00 0.00 H new ATOM 0 HB3 GLN A 171 8.790 3.589 -0.484 1.00 0.00 H new ATOM 0 HG2 GLN A 171 8.680 1.479 0.643 1.00 0.00 H new ATOM 0 HG3 GLN A 171 8.438 1.197 -1.070 1.00 0.00 H new ATOM 0 HE21 GLN A 171 9.284 -0.627 1.083 1.00 0.00 H new ATOM 0 HE22 GLN A 171 10.837 -1.295 0.569 1.00 0.00 H new ATOM 84 N TYR A 172 10.681 5.514 -2.149 1.00 0.00 N ATOM 85 CA TYR A 172 10.531 6.903 -2.561 1.00 0.00 C ATOM 86 C TYR A 172 11.286 7.153 -3.862 1.00 0.00 C ATOM 87 O TYR A 172 10.721 7.644 -4.839 1.00 0.00 O ATOM 88 CB TYR A 172 11.064 7.830 -1.456 1.00 0.00 C ATOM 89 CG TYR A 172 11.015 9.314 -1.785 1.00 0.00 C ATOM 90 CD1 TYR A 172 12.063 9.940 -2.454 1.00 0.00 C ATOM 91 CD2 TYR A 172 9.926 10.088 -1.412 1.00 0.00 C ATOM 92 CE1 TYR A 172 12.018 11.290 -2.743 1.00 0.00 C ATOM 93 CE2 TYR A 172 9.877 11.437 -1.700 1.00 0.00 C ATOM 94 CZ TYR A 172 10.924 12.033 -2.363 1.00 0.00 C ATOM 95 OH TYR A 172 10.876 13.377 -2.650 1.00 0.00 O ATOM 0 H TYR A 172 11.485 5.351 -1.543 1.00 0.00 H new ATOM 0 HA TYR A 172 9.474 7.112 -2.727 1.00 0.00 H new ATOM 0 HB2 TYR A 172 10.489 7.655 -0.547 1.00 0.00 H new ATOM 0 HB3 TYR A 172 12.096 7.555 -1.238 1.00 0.00 H new ATOM 0 HD1 TYR A 172 12.925 9.361 -2.752 1.00 0.00 H new ATOM 0 HD2 TYR A 172 9.102 9.627 -0.887 1.00 0.00 H new ATOM 0 HE1 TYR A 172 12.838 11.760 -3.265 1.00 0.00 H new ATOM 0 HE2 TYR A 172 9.019 12.023 -1.405 1.00 0.00 H new ATOM 0 HH TYR A 172 10.036 13.753 -2.314 1.00 0.00 H new ATOM 105 N SER A 173 12.571 6.817 -3.853 1.00 0.00 N ATOM 106 CA SER A 173 13.451 7.026 -5.000 1.00 0.00 C ATOM 107 C SER A 173 12.898 6.380 -6.280 1.00 0.00 C ATOM 108 O SER A 173 12.718 7.050 -7.297 1.00 0.00 O ATOM 109 CB SER A 173 14.826 6.447 -4.668 1.00 0.00 C ATOM 110 OG SER A 173 15.223 6.830 -3.358 1.00 0.00 O ATOM 0 H SER A 173 13.034 6.391 -3.050 1.00 0.00 H new ATOM 0 HA SER A 173 13.522 8.096 -5.193 1.00 0.00 H new ATOM 0 HB2 SER A 173 14.797 5.360 -4.743 1.00 0.00 H new ATOM 0 HB3 SER A 173 15.560 6.797 -5.394 1.00 0.00 H new ATOM 0 HG SER A 173 16.104 6.450 -3.159 1.00 0.00 H new ATOM 116 N ASN A 174 12.612 5.091 -6.214 1.00 0.00 N ATOM 117 CA ASN A 174 12.171 4.328 -7.381 1.00 0.00 C ATOM 118 C ASN A 174 10.656 4.188 -7.394 1.00 0.00 C ATOM 119 O ASN A 174 10.120 3.214 -7.917 1.00 0.00 O ATOM 120 CB ASN A 174 12.824 2.945 -7.395 1.00 0.00 C ATOM 121 CG ASN A 174 13.687 2.726 -8.625 1.00 0.00 C ATOM 122 OD1 ASN A 174 14.875 3.048 -8.629 1.00 0.00 O ATOM 123 ND2 ASN A 174 13.105 2.164 -9.671 1.00 0.00 N ATOM 0 H ASN A 174 12.677 4.541 -5.357 1.00 0.00 H new ATOM 0 HA ASN A 174 12.477 4.872 -8.275 1.00 0.00 H new ATOM 0 HB2 ASN A 174 13.434 2.825 -6.500 1.00 0.00 H new ATOM 0 HB3 ASN A 174 12.049 2.180 -7.357 1.00 0.00 H new ATOM 0 HD21 ASN A 174 13.643 1.984 -10.518 1.00 0.00 H new ATOM 0 HD22 ASN A 174 12.118 1.911 -9.630 1.00 0.00 H new ATOM 130 N GLN A 175 9.984 5.160 -6.787 1.00 0.00 N ATOM 131 CA GLN A 175 8.547 5.102 -6.523 1.00 0.00 C ATOM 132 C GLN A 175 7.714 4.622 -7.715 1.00 0.00 C ATOM 133 O GLN A 175 6.702 3.974 -7.513 1.00 0.00 O ATOM 134 CB GLN A 175 8.019 6.472 -6.091 1.00 0.00 C ATOM 135 CG GLN A 175 6.653 6.401 -5.427 1.00 0.00 C ATOM 136 CD GLN A 175 5.972 7.747 -5.307 1.00 0.00 C ATOM 137 OE1 GLN A 175 6.624 8.791 -5.243 1.00 0.00 O ATOM 138 NE2 GLN A 175 4.648 7.726 -5.263 1.00 0.00 N ATOM 0 H GLN A 175 10.424 6.020 -6.460 1.00 0.00 H new ATOM 0 HA GLN A 175 8.436 4.369 -5.724 1.00 0.00 H new ATOM 0 HB2 GLN A 175 8.729 6.927 -5.401 1.00 0.00 H new ATOM 0 HB3 GLN A 175 7.959 7.123 -6.963 1.00 0.00 H new ATOM 0 HG2 GLN A 175 6.014 5.729 -5.999 1.00 0.00 H new ATOM 0 HG3 GLN A 175 6.763 5.968 -4.433 1.00 0.00 H new ATOM 0 HE21 GLN A 175 4.150 6.838 -5.319 1.00 0.00 H new ATOM 0 HE22 GLN A 175 4.127 8.598 -5.173 1.00 0.00 H new ATOM 147 N ASN A 176 8.119 4.919 -8.945 1.00 0.00 N ATOM 148 CA ASN A 176 7.265 4.613 -10.096 1.00 0.00 C ATOM 149 C ASN A 176 7.094 3.106 -10.310 1.00 0.00 C ATOM 150 O ASN A 176 5.965 2.613 -10.340 1.00 0.00 O ATOM 151 CB ASN A 176 7.804 5.272 -11.368 1.00 0.00 C ATOM 152 CG ASN A 176 7.046 4.839 -12.610 1.00 0.00 C ATOM 153 OD1 ASN A 176 7.486 3.948 -13.343 1.00 0.00 O ATOM 154 ND2 ASN A 176 5.889 5.436 -12.835 1.00 0.00 N ATOM 0 H ASN A 176 9.010 5.360 -9.172 1.00 0.00 H new ATOM 0 HA ASN A 176 6.281 5.025 -9.874 1.00 0.00 H new ATOM 0 HB2 ASN A 176 7.742 6.356 -11.267 1.00 0.00 H new ATOM 0 HB3 ASN A 176 8.859 5.023 -11.484 1.00 0.00 H new ATOM 0 HD21 ASN A 176 5.323 5.165 -13.639 1.00 0.00 H new ATOM 0 HD22 ASN A 176 5.562 6.168 -12.204 1.00 0.00 H new ATOM 161 N ASN A 177 8.190 2.362 -10.413 1.00 0.00 N ATOM 162 CA ASN A 177 8.080 0.915 -10.584 1.00 0.00 C ATOM 163 C ASN A 177 7.717 0.273 -9.253 1.00 0.00 C ATOM 164 O ASN A 177 7.148 -0.817 -9.204 1.00 0.00 O ATOM 165 CB ASN A 177 9.359 0.294 -11.180 1.00 0.00 C ATOM 166 CG ASN A 177 10.517 0.185 -10.206 1.00 0.00 C ATOM 167 OD1 ASN A 177 10.658 0.984 -9.288 1.00 0.00 O ATOM 168 ND2 ASN A 177 11.376 -0.801 -10.417 1.00 0.00 N ATOM 0 H ASN A 177 9.143 2.724 -10.382 1.00 0.00 H new ATOM 0 HA ASN A 177 7.286 0.718 -11.305 1.00 0.00 H new ATOM 0 HB2 ASN A 177 9.123 -0.701 -11.557 1.00 0.00 H new ATOM 0 HB3 ASN A 177 9.674 0.893 -12.035 1.00 0.00 H new ATOM 0 HD21 ASN A 177 12.185 -0.912 -9.806 1.00 0.00 H new ATOM 0 HD22 ASN A 177 11.229 -1.449 -11.191 1.00 0.00 H new ATOM 175 N PHE A 178 8.049 0.971 -8.171 1.00 0.00 N ATOM 176 CA PHE A 178 7.642 0.563 -6.838 1.00 0.00 C ATOM 177 C PHE A 178 6.121 0.553 -6.717 1.00 0.00 C ATOM 178 O PHE A 178 5.545 -0.388 -6.186 1.00 0.00 O ATOM 179 CB PHE A 178 8.254 1.492 -5.782 1.00 0.00 C ATOM 180 CG PHE A 178 7.476 1.532 -4.498 1.00 0.00 C ATOM 181 CD1 PHE A 178 7.586 0.513 -3.567 1.00 0.00 C ATOM 182 CD2 PHE A 178 6.621 2.588 -4.233 1.00 0.00 C ATOM 183 CE1 PHE A 178 6.855 0.551 -2.395 1.00 0.00 C ATOM 184 CE2 PHE A 178 5.890 2.628 -3.067 1.00 0.00 C ATOM 185 CZ PHE A 178 6.007 1.610 -2.145 1.00 0.00 C ATOM 0 H PHE A 178 8.603 1.827 -8.196 1.00 0.00 H new ATOM 0 HA PHE A 178 8.007 -0.449 -6.665 1.00 0.00 H new ATOM 0 HB2 PHE A 178 9.273 1.168 -5.571 1.00 0.00 H new ATOM 0 HB3 PHE A 178 8.319 2.501 -6.190 1.00 0.00 H new ATOM 0 HD1 PHE A 178 8.248 -0.318 -3.758 1.00 0.00 H new ATOM 0 HD2 PHE A 178 6.526 3.390 -4.950 1.00 0.00 H new ATOM 0 HE1 PHE A 178 6.948 -0.248 -1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 178 5.225 3.457 -2.875 1.00 0.00 H new ATOM 0 HZ PHE A 178 5.436 1.641 -1.229 1.00 0.00 H new ATOM 195 N VAL A 179 5.478 1.604 -7.204 1.00 0.00 N ATOM 196 CA VAL A 179 4.025 1.699 -7.161 1.00 0.00 C ATOM 197 C VAL A 179 3.406 0.571 -7.972 1.00 0.00 C ATOM 198 O VAL A 179 2.436 -0.044 -7.549 1.00 0.00 O ATOM 199 CB VAL A 179 3.511 3.080 -7.658 1.00 0.00 C ATOM 200 CG1 VAL A 179 1.995 3.084 -7.827 1.00 0.00 C ATOM 201 CG2 VAL A 179 3.911 4.171 -6.676 1.00 0.00 C ATOM 0 H VAL A 179 5.940 2.405 -7.635 1.00 0.00 H new ATOM 0 HA VAL A 179 3.718 1.603 -6.119 1.00 0.00 H new ATOM 0 HB VAL A 179 3.966 3.271 -8.630 1.00 0.00 H new ATOM 0 HG11 VAL A 179 1.670 4.064 -8.175 1.00 0.00 H new ATOM 0 HG12 VAL A 179 1.708 2.326 -8.556 1.00 0.00 H new ATOM 0 HG13 VAL A 179 1.522 2.864 -6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 179 3.546 5.134 -7.034 1.00 0.00 H new ATOM 0 HG22 VAL A 179 3.477 3.958 -5.699 1.00 0.00 H new ATOM 0 HG23 VAL A 179 4.997 4.203 -6.591 1.00 0.00 H new ATOM 211 N HIS A 180 3.994 0.268 -9.114 1.00 0.00 N ATOM 212 CA HIS A 180 3.515 -0.844 -9.922 1.00 0.00 C ATOM 213 C HIS A 180 3.674 -2.168 -9.171 1.00 0.00 C ATOM 214 O HIS A 180 2.695 -2.868 -8.919 1.00 0.00 O ATOM 215 CB HIS A 180 4.256 -0.901 -11.257 1.00 0.00 C ATOM 216 CG HIS A 180 4.052 0.312 -12.109 1.00 0.00 C ATOM 217 ND1 HIS A 180 5.100 0.913 -12.762 1.00 0.00 N ATOM 218 CD2 HIS A 180 2.908 0.981 -12.396 1.00 0.00 C ATOM 219 CE1 HIS A 180 4.578 1.926 -13.429 1.00 0.00 C ATOM 220 NE2 HIS A 180 3.252 2.007 -13.239 1.00 0.00 N ATOM 0 H HIS A 180 4.794 0.767 -9.502 1.00 0.00 H new ATOM 0 HA HIS A 180 2.455 -0.684 -10.121 1.00 0.00 H new ATOM 0 HB2 HIS A 180 5.322 -1.025 -11.066 1.00 0.00 H new ATOM 0 HB3 HIS A 180 3.926 -1.781 -11.808 1.00 0.00 H new ATOM 0 HD2 HIS A 180 1.918 0.751 -12.031 1.00 0.00 H new ATOM 0 HE1 HIS A 180 5.146 2.604 -14.049 1.00 0.00 H new ATOM 0 HE2 HIS A 180 2.621 2.699 -13.644 1.00 0.00 H new ATOM 227 N ASP A 181 4.906 -2.483 -8.790 1.00 0.00 N ATOM 228 CA ASP A 181 5.231 -3.760 -8.147 1.00 0.00 C ATOM 229 C ASP A 181 4.540 -3.921 -6.789 1.00 0.00 C ATOM 230 O ASP A 181 3.839 -4.906 -6.556 1.00 0.00 O ATOM 231 CB ASP A 181 6.752 -3.882 -7.981 1.00 0.00 C ATOM 232 CG ASP A 181 7.167 -5.027 -7.077 1.00 0.00 C ATOM 233 OD1 ASP A 181 7.277 -6.174 -7.566 1.00 0.00 O ATOM 234 OD2 ASP A 181 7.416 -4.775 -5.880 1.00 0.00 O ATOM 0 H ASP A 181 5.709 -1.866 -8.915 1.00 0.00 H new ATOM 0 HA ASP A 181 4.861 -4.557 -8.792 1.00 0.00 H new ATOM 0 HB2 ASP A 181 7.208 -4.019 -8.962 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.142 -2.948 -7.576 1.00 0.00 H new ATOM 239 N CYS A 182 4.721 -2.945 -5.909 1.00 0.00 N ATOM 240 CA CYS A 182 4.223 -3.044 -4.540 1.00 0.00 C ATOM 241 C CYS A 182 2.705 -3.051 -4.507 1.00 0.00 C ATOM 242 O CYS A 182 2.113 -3.905 -3.854 1.00 0.00 O ATOM 243 CB CYS A 182 4.792 -1.905 -3.671 1.00 0.00 C ATOM 244 SG CYS A 182 4.499 -2.095 -1.877 1.00 0.00 S ATOM 0 H CYS A 182 5.209 -2.074 -6.117 1.00 0.00 H new ATOM 0 HA CYS A 182 4.565 -3.992 -4.124 1.00 0.00 H new ATOM 0 HB2 CYS A 182 5.866 -1.835 -3.845 1.00 0.00 H new ATOM 0 HB3 CYS A 182 4.354 -0.962 -3.999 1.00 0.00 H new ATOM 249 N VAL A 183 2.065 -2.131 -5.218 1.00 0.00 N ATOM 250 CA VAL A 183 0.608 -2.076 -5.213 1.00 0.00 C ATOM 251 C VAL A 183 0.031 -3.364 -5.779 1.00 0.00 C ATOM 252 O VAL A 183 -1.010 -3.834 -5.338 1.00 0.00 O ATOM 253 CB VAL A 183 0.070 -0.860 -5.989 1.00 0.00 C ATOM 254 CG1 VAL A 183 -1.452 -0.855 -6.033 1.00 0.00 C ATOM 255 CG2 VAL A 183 0.584 0.414 -5.350 1.00 0.00 C ATOM 0 H VAL A 183 2.521 -1.425 -5.796 1.00 0.00 H new ATOM 0 HA VAL A 183 0.289 -1.964 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 183 0.426 -0.922 -7.017 1.00 0.00 H new ATOM 0 HG11 VAL A 183 -1.797 0.017 -6.588 1.00 0.00 H new ATOM 0 HG12 VAL A 183 -1.805 -1.761 -6.525 1.00 0.00 H new ATOM 0 HG13 VAL A 183 -1.845 -0.817 -5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 183 0.204 1.275 -5.899 1.00 0.00 H new ATOM 0 HG22 VAL A 183 0.245 0.464 -4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 183 1.674 0.420 -5.376 1.00 0.00 H new ATOM 265 N ASN A 184 0.731 -3.956 -6.730 1.00 0.00 N ATOM 266 CA ASN A 184 0.314 -5.251 -7.255 1.00 0.00 C ATOM 267 C ASN A 184 0.308 -6.305 -6.150 1.00 0.00 C ATOM 268 O ASN A 184 -0.733 -6.884 -5.854 1.00 0.00 O ATOM 269 CB ASN A 184 1.214 -5.711 -8.406 1.00 0.00 C ATOM 270 CG ASN A 184 0.614 -5.418 -9.769 1.00 0.00 C ATOM 271 OD1 ASN A 184 -0.129 -6.232 -10.316 1.00 0.00 O ATOM 272 ND2 ASN A 184 0.936 -4.263 -10.328 1.00 0.00 N ATOM 0 H ASN A 184 1.577 -3.572 -7.151 1.00 0.00 H new ATOM 0 HA ASN A 184 -0.698 -5.132 -7.642 1.00 0.00 H new ATOM 0 HB2 ASN A 184 2.182 -5.216 -8.325 1.00 0.00 H new ATOM 0 HB3 ASN A 184 1.395 -6.782 -8.315 1.00 0.00 H new ATOM 0 HD21 ASN A 184 0.565 -4.020 -11.246 1.00 0.00 H new ATOM 0 HD22 ASN A 184 1.556 -3.616 -9.841 1.00 0.00 H new ATOM 279 N ILE A 185 1.453 -6.508 -5.503 1.00 0.00 N ATOM 280 CA ILE A 185 1.571 -7.523 -4.457 1.00 0.00 C ATOM 281 C ILE A 185 0.619 -7.249 -3.297 1.00 0.00 C ATOM 282 O ILE A 185 0.030 -8.173 -2.740 1.00 0.00 O ATOM 283 CB ILE A 185 3.026 -7.678 -3.938 1.00 0.00 C ATOM 284 CG1 ILE A 185 3.563 -6.399 -3.286 1.00 0.00 C ATOM 285 CG2 ILE A 185 3.943 -8.102 -5.072 1.00 0.00 C ATOM 286 CD1 ILE A 185 3.414 -6.368 -1.776 1.00 0.00 C ATOM 0 H ILE A 185 2.310 -5.985 -5.683 1.00 0.00 H new ATOM 0 HA ILE A 185 1.287 -8.468 -4.920 1.00 0.00 H new ATOM 0 HB ILE A 185 3.006 -8.448 -3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 185 4.617 -6.289 -3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 185 3.042 -5.541 -3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 185 4.961 -8.208 -4.697 1.00 0.00 H new ATOM 0 HG22 ILE A 185 3.604 -9.056 -5.476 1.00 0.00 H new ATOM 0 HG23 ILE A 185 3.923 -7.347 -5.858 1.00 0.00 H new ATOM 0 HD11 ILE A 185 3.817 -5.432 -1.390 1.00 0.00 H new ATOM 0 HD12 ILE A 185 2.359 -6.445 -1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 185 3.959 -7.205 -1.339 1.00 0.00 H new ATOM 298 N THR A 186 0.463 -5.987 -2.940 1.00 0.00 N ATOM 299 CA THR A 186 -0.499 -5.622 -1.907 1.00 0.00 C ATOM 300 C THR A 186 -1.938 -5.854 -2.344 1.00 0.00 C ATOM 301 O THR A 186 -2.788 -6.164 -1.511 1.00 0.00 O ATOM 302 CB THR A 186 -0.310 -4.187 -1.398 1.00 0.00 C ATOM 303 OG1 THR A 186 0.053 -3.322 -2.467 1.00 0.00 O ATOM 304 CG2 THR A 186 0.743 -4.141 -0.303 1.00 0.00 C ATOM 0 H THR A 186 0.980 -5.205 -3.341 1.00 0.00 H new ATOM 0 HA THR A 186 -0.294 -6.292 -1.072 1.00 0.00 H new ATOM 0 HB THR A 186 -1.258 -3.846 -0.981 1.00 0.00 H new ATOM 0 HG1 THR A 186 1.013 -3.129 -2.420 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.862 -3.115 0.044 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.430 -4.772 0.529 1.00 0.00 H new ATOM 0 HG23 THR A 186 1.693 -4.503 -0.696 1.00 0.00 H new ATOM 312 N VAL A 187 -2.230 -5.706 -3.633 1.00 0.00 N ATOM 313 CA VAL A 187 -3.547 -6.079 -4.132 1.00 0.00 C ATOM 314 C VAL A 187 -3.765 -7.566 -3.909 1.00 0.00 C ATOM 315 O VAL A 187 -4.827 -7.990 -3.447 1.00 0.00 O ATOM 316 CB VAL A 187 -3.758 -5.748 -5.633 1.00 0.00 C ATOM 317 CG1 VAL A 187 -4.968 -6.490 -6.184 1.00 0.00 C ATOM 318 CG2 VAL A 187 -3.941 -4.253 -5.842 1.00 0.00 C ATOM 0 H VAL A 187 -1.588 -5.339 -4.336 1.00 0.00 H new ATOM 0 HA VAL A 187 -4.273 -5.487 -3.576 1.00 0.00 H new ATOM 0 HB VAL A 187 -2.866 -6.072 -6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -5.097 -6.243 -7.238 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -4.815 -7.564 -6.079 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -5.859 -6.195 -5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -4.087 -4.049 -6.903 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -4.813 -3.912 -5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -3.055 -3.725 -5.490 1.00 0.00 H new ATOM 328 N LYS A 188 -2.741 -8.356 -4.212 1.00 0.00 N ATOM 329 CA LYS A 188 -2.781 -9.777 -3.942 1.00 0.00 C ATOM 330 C LYS A 188 -3.061 -10.013 -2.458 1.00 0.00 C ATOM 331 O LYS A 188 -3.925 -10.805 -2.098 1.00 0.00 O ATOM 332 CB LYS A 188 -1.460 -10.446 -4.335 1.00 0.00 C ATOM 333 CG LYS A 188 -1.337 -10.838 -5.805 1.00 0.00 C ATOM 334 CD LYS A 188 -0.782 -9.720 -6.680 1.00 0.00 C ATOM 335 CE LYS A 188 -1.879 -8.991 -7.445 1.00 0.00 C ATOM 336 NZ LYS A 188 -2.681 -9.908 -8.297 1.00 0.00 N ATOM 0 H LYS A 188 -1.876 -8.031 -4.644 1.00 0.00 H new ATOM 0 HA LYS A 188 -3.579 -10.219 -4.538 1.00 0.00 H new ATOM 0 HB2 LYS A 188 -0.642 -9.770 -4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 188 -1.330 -11.340 -3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 188 -0.690 -11.711 -5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 188 -2.318 -11.131 -6.180 1.00 0.00 H new ATOM 0 HD2 LYS A 188 -0.241 -9.008 -6.057 1.00 0.00 H new ATOM 0 HD3 LYS A 188 -0.064 -10.136 -7.386 1.00 0.00 H new ATOM 0 HE2 LYS A 188 -2.538 -8.487 -6.738 1.00 0.00 H new ATOM 0 HE3 LYS A 188 -1.431 -8.218 -8.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 -3.031 -9.392 -9.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 -2.086 -10.702 -8.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 -3.488 -10.272 -7.751 1.00 0.00 H new ATOM 350 N GLN A 189 -2.336 -9.286 -1.614 1.00 0.00 N ATOM 351 CA GLN A 189 -2.505 -9.354 -0.164 1.00 0.00 C ATOM 352 C GLN A 189 -3.945 -9.077 0.250 1.00 0.00 C ATOM 353 O GLN A 189 -4.570 -9.880 0.950 1.00 0.00 O ATOM 354 CB GLN A 189 -1.585 -8.333 0.504 1.00 0.00 C ATOM 355 CG GLN A 189 -1.657 -8.334 2.019 1.00 0.00 C ATOM 356 CD GLN A 189 -0.440 -7.681 2.629 1.00 0.00 C ATOM 357 OE1 GLN A 189 0.694 -7.855 1.973 1.00 0.00 O flip ATOM 358 NE2 GLN A 189 -0.511 -7.056 3.685 1.00 0.00 N flip ATOM 0 H GLN A 189 -1.614 -8.632 -1.915 1.00 0.00 H new ATOM 0 HA GLN A 189 -2.249 -10.364 0.155 1.00 0.00 H new ATOM 0 HB2 GLN A 189 -0.557 -8.532 0.199 1.00 0.00 H new ATOM 0 HB3 GLN A 189 -1.839 -7.338 0.139 1.00 0.00 H new ATOM 0 HG2 GLN A 189 -2.555 -7.807 2.342 1.00 0.00 H new ATOM 0 HG3 GLN A 189 -1.741 -9.359 2.380 1.00 0.00 H new ATOM 0 HE21 GLN A 189 -1.410 -6.949 4.155 1.00 0.00 H new ATOM 0 HE22 GLN A 189 0.329 -6.645 4.092 1.00 0.00 H new ATOM 367 N HIS A 190 -4.464 -7.942 -0.197 1.00 0.00 N ATOM 368 CA HIS A 190 -5.781 -7.485 0.218 1.00 0.00 C ATOM 369 C HIS A 190 -6.864 -8.430 -0.278 1.00 0.00 C ATOM 370 O HIS A 190 -7.794 -8.754 0.461 1.00 0.00 O ATOM 371 CB HIS A 190 -6.042 -6.071 -0.291 1.00 0.00 C ATOM 372 CG HIS A 190 -6.621 -5.162 0.751 1.00 0.00 C ATOM 373 ND1 HIS A 190 -7.890 -4.650 0.640 1.00 0.00 N ATOM 374 CD2 HIS A 190 -6.050 -4.688 1.887 1.00 0.00 C ATOM 375 CE1 HIS A 190 -8.064 -3.880 1.699 1.00 0.00 C ATOM 376 NE2 HIS A 190 -6.975 -3.871 2.486 1.00 0.00 N ATOM 0 H HIS A 190 -3.990 -7.319 -0.850 1.00 0.00 H new ATOM 0 HA HIS A 190 -5.806 -7.475 1.308 1.00 0.00 H new ATOM 0 HB2 HIS A 190 -5.107 -5.645 -0.655 1.00 0.00 H new ATOM 0 HB3 HIS A 190 -6.723 -6.118 -1.141 1.00 0.00 H new ATOM 0 HD2 HIS A 190 -5.058 -4.911 2.250 1.00 0.00 H new ATOM 0 HE1 HIS A 190 -8.968 -3.327 1.906 1.00 0.00 H new ATOM 0 HE2 HIS A 190 -6.859 -3.357 3.359 1.00 0.00 H new ATOM 383 N THR A 191 -6.742 -8.882 -1.523 1.00 0.00 N ATOM 384 CA THR A 191 -7.716 -9.810 -2.074 1.00 0.00 C ATOM 385 C THR A 191 -7.688 -11.128 -1.304 1.00 0.00 C ATOM 386 O THR A 191 -8.730 -11.740 -1.082 1.00 0.00 O ATOM 387 CB THR A 191 -7.503 -10.077 -3.579 1.00 0.00 C ATOM 388 OG1 THR A 191 -6.198 -10.622 -3.817 1.00 0.00 O ATOM 389 CG2 THR A 191 -7.673 -8.800 -4.390 1.00 0.00 C ATOM 0 H THR A 191 -5.988 -8.623 -2.159 1.00 0.00 H new ATOM 0 HA THR A 191 -8.693 -9.339 -1.965 1.00 0.00 H new ATOM 0 HB THR A 191 -8.257 -10.798 -3.895 1.00 0.00 H new ATOM 0 HG1 THR A 191 -5.640 -10.495 -3.021 1.00 0.00 H new ATOM 0 HG21 THR A 191 -7.518 -9.017 -5.447 1.00 0.00 H new ATOM 0 HG22 THR A 191 -8.679 -8.408 -4.244 1.00 0.00 H new ATOM 0 HG23 THR A 191 -6.944 -8.060 -4.060 1.00 0.00 H new ATOM 397 N VAL A 192 -6.495 -11.547 -0.871 1.00 0.00 N ATOM 398 CA VAL A 192 -6.355 -12.744 -0.043 1.00 0.00 C ATOM 399 C VAL A 192 -7.130 -12.589 1.264 1.00 0.00 C ATOM 400 O VAL A 192 -7.953 -13.438 1.607 1.00 0.00 O ATOM 401 CB VAL A 192 -4.868 -13.068 0.258 1.00 0.00 C ATOM 402 CG1 VAL A 192 -4.746 -14.094 1.379 1.00 0.00 C ATOM 403 CG2 VAL A 192 -4.184 -13.587 -0.994 1.00 0.00 C ATOM 0 H VAL A 192 -5.616 -11.075 -1.081 1.00 0.00 H new ATOM 0 HA VAL A 192 -6.771 -13.577 -0.609 1.00 0.00 H new ATOM 0 HB VAL A 192 -4.380 -12.149 0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 192 -3.693 -14.302 1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 192 -5.207 -13.700 2.285 1.00 0.00 H new ATOM 0 HG13 VAL A 192 -5.251 -15.015 1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 192 -3.141 -13.811 -0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 192 -4.686 -14.493 -1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 192 -4.234 -12.830 -1.776 1.00 0.00 H new ATOM 413 N THR A 193 -6.885 -11.492 1.975 1.00 0.00 N ATOM 414 CA THR A 193 -7.599 -11.212 3.219 1.00 0.00 C ATOM 415 C THR A 193 -9.106 -11.142 2.966 1.00 0.00 C ATOM 416 O THR A 193 -9.916 -11.700 3.715 1.00 0.00 O ATOM 417 CB THR A 193 -7.123 -9.885 3.849 1.00 0.00 C ATOM 418 OG1 THR A 193 -5.693 -9.884 3.968 1.00 0.00 O ATOM 419 CG2 THR A 193 -7.747 -9.679 5.221 1.00 0.00 C ATOM 0 H THR A 193 -6.200 -10.784 1.713 1.00 0.00 H new ATOM 0 HA THR A 193 -7.384 -12.025 3.913 1.00 0.00 H new ATOM 0 HB THR A 193 -7.437 -9.069 3.198 1.00 0.00 H new ATOM 0 HG1 THR A 193 -5.399 -9.039 4.367 1.00 0.00 H new ATOM 0 HG21 THR A 193 -7.395 -8.737 5.643 1.00 0.00 H new ATOM 0 HG22 THR A 193 -8.833 -9.652 5.127 1.00 0.00 H new ATOM 0 HG23 THR A 193 -7.461 -10.500 5.878 1.00 0.00 H new ATOM 427 N THR A 194 -9.481 -10.488 1.881 1.00 0.00 N ATOM 428 CA THR A 194 -10.882 -10.332 1.551 1.00 0.00 C ATOM 429 C THR A 194 -11.470 -11.645 1.015 1.00 0.00 C ATOM 430 O THR A 194 -12.687 -11.794 0.879 1.00 0.00 O ATOM 431 CB THR A 194 -11.092 -9.195 0.541 1.00 0.00 C ATOM 432 OG1 THR A 194 -10.325 -8.047 0.933 1.00 0.00 O ATOM 433 CG2 THR A 194 -12.552 -8.806 0.477 1.00 0.00 C ATOM 0 H THR A 194 -8.836 -10.059 1.217 1.00 0.00 H new ATOM 0 HA THR A 194 -11.409 -10.070 2.468 1.00 0.00 H new ATOM 0 HB THR A 194 -10.767 -9.544 -0.439 1.00 0.00 H new ATOM 0 HG1 THR A 194 -9.415 -8.124 0.577 1.00 0.00 H new ATOM 0 HG21 THR A 194 -12.682 -7.999 -0.244 1.00 0.00 H new ATOM 0 HG22 THR A 194 -13.145 -9.667 0.169 1.00 0.00 H new ATOM 0 HG23 THR A 194 -12.883 -8.471 1.460 1.00 0.00 H new ATOM 441 N THR A 195 -10.606 -12.600 0.712 1.00 0.00 N ATOM 442 CA THR A 195 -11.057 -13.940 0.403 1.00 0.00 C ATOM 443 C THR A 195 -11.255 -14.726 1.689 1.00 0.00 C ATOM 444 O THR A 195 -12.181 -15.505 1.812 1.00 0.00 O ATOM 445 CB THR A 195 -10.073 -14.698 -0.510 1.00 0.00 C ATOM 446 OG1 THR A 195 -9.894 -13.985 -1.742 1.00 0.00 O ATOM 447 CG2 THR A 195 -10.586 -16.100 -0.802 1.00 0.00 C ATOM 0 H THR A 195 -9.595 -12.470 0.674 1.00 0.00 H new ATOM 0 HA THR A 195 -12.000 -13.845 -0.135 1.00 0.00 H new ATOM 0 HB THR A 195 -9.116 -14.773 0.006 1.00 0.00 H new ATOM 0 HG1 THR A 195 -9.178 -13.324 -1.636 1.00 0.00 H new ATOM 0 HG21 THR A 195 -9.878 -16.619 -1.448 1.00 0.00 H new ATOM 0 HG22 THR A 195 -10.695 -16.650 0.133 1.00 0.00 H new ATOM 0 HG23 THR A 195 -11.553 -16.037 -1.301 1.00 0.00 H new ATOM 455 N THR A 196 -10.407 -14.505 2.669 1.00 0.00 N ATOM 456 CA THR A 196 -10.510 -15.260 3.900 1.00 0.00 C ATOM 457 C THR A 196 -11.634 -14.721 4.787 1.00 0.00 C ATOM 458 O THR A 196 -12.083 -15.399 5.711 1.00 0.00 O ATOM 459 CB THR A 196 -9.175 -15.262 4.670 1.00 0.00 C ATOM 460 OG1 THR A 196 -8.824 -13.927 5.054 1.00 0.00 O ATOM 461 CG2 THR A 196 -8.065 -15.845 3.810 1.00 0.00 C ATOM 0 H THR A 196 -9.651 -13.821 2.641 1.00 0.00 H new ATOM 0 HA THR A 196 -10.749 -16.289 3.630 1.00 0.00 H new ATOM 0 HB THR A 196 -9.297 -15.877 5.562 1.00 0.00 H new ATOM 0 HG1 THR A 196 -9.332 -13.287 4.513 1.00 0.00 H new ATOM 0 HG21 THR A 196 -7.130 -15.839 4.370 1.00 0.00 H new ATOM 0 HG22 THR A 196 -8.317 -16.869 3.536 1.00 0.00 H new ATOM 0 HG23 THR A 196 -7.952 -15.245 2.907 1.00 0.00 H new ATOM 469 N LYS A 197 -12.105 -13.503 4.495 1.00 0.00 N ATOM 470 CA LYS A 197 -13.242 -12.926 5.226 1.00 0.00 C ATOM 471 C LYS A 197 -14.577 -13.573 4.819 1.00 0.00 C ATOM 472 O LYS A 197 -15.640 -12.983 4.990 1.00 0.00 O ATOM 473 CB LYS A 197 -13.292 -11.392 5.046 1.00 0.00 C ATOM 474 CG LYS A 197 -13.523 -10.899 3.619 1.00 0.00 C ATOM 475 CD LYS A 197 -14.994 -10.613 3.331 1.00 0.00 C ATOM 476 CE LYS A 197 -15.186 -9.894 1.994 1.00 0.00 C ATOM 477 NZ LYS A 197 -16.582 -9.410 1.810 1.00 0.00 N ATOM 0 H LYS A 197 -11.722 -12.902 3.765 1.00 0.00 H new ATOM 0 HA LYS A 197 -13.090 -13.142 6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -14.085 -10.996 5.680 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -12.354 -10.971 5.409 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -12.941 -9.993 3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -13.157 -11.647 2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -15.551 -11.550 3.322 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -15.409 -10.003 4.134 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -14.500 -9.049 1.936 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -14.928 -10.571 1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -16.700 -9.052 0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -17.246 -10.194 1.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -16.777 -8.645 2.488 1.00 0.00 H new ATOM 491 N GLY A 198 -14.520 -14.795 4.301 1.00 0.00 N ATOM 492 CA GLY A 198 -15.735 -15.507 3.943 1.00 0.00 C ATOM 493 C GLY A 198 -15.842 -15.767 2.455 1.00 0.00 C ATOM 494 O GLY A 198 -16.885 -16.202 1.972 1.00 0.00 O ATOM 0 H GLY A 198 -13.655 -15.306 4.122 1.00 0.00 H new ATOM 0 HA2 GLY A 198 -15.766 -16.457 4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 198 -16.600 -14.929 4.270 1.00 0.00 H new ATOM 498 N GLU A 199 -14.750 -15.503 1.748 1.00 0.00 N ATOM 499 CA GLU A 199 -14.663 -15.682 0.302 1.00 0.00 C ATOM 500 C GLU A 199 -15.845 -15.034 -0.409 1.00 0.00 C ATOM 501 O GLU A 199 -16.632 -15.696 -1.084 1.00 0.00 O ATOM 502 CB GLU A 199 -14.549 -17.163 -0.062 1.00 0.00 C ATOM 503 CG GLU A 199 -13.436 -17.890 0.668 1.00 0.00 C ATOM 504 CD GLU A 199 -13.234 -19.299 0.165 1.00 0.00 C ATOM 505 OE1 GLU A 199 -12.916 -19.469 -1.029 1.00 0.00 O ATOM 506 OE2 GLU A 199 -13.399 -20.248 0.955 1.00 0.00 O ATOM 0 H GLU A 199 -13.888 -15.154 2.167 1.00 0.00 H new ATOM 0 HA GLU A 199 -13.757 -15.181 -0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 199 -15.496 -17.655 0.157 1.00 0.00 H new ATOM 0 HB3 GLU A 199 -14.385 -17.252 -1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 199 -12.507 -17.331 0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 199 -13.663 -17.918 1.734 1.00 0.00 H new ATOM 513 N ASN A 200 -15.957 -13.725 -0.245 1.00 0.00 N ATOM 514 CA ASN A 200 -17.026 -12.961 -0.874 1.00 0.00 C ATOM 515 C ASN A 200 -16.454 -12.163 -2.023 1.00 0.00 C ATOM 516 O ASN A 200 -16.662 -12.507 -3.182 1.00 0.00 O ATOM 517 CB ASN A 200 -17.683 -12.010 0.133 1.00 0.00 C ATOM 518 CG ASN A 200 -18.215 -12.709 1.372 1.00 0.00 C ATOM 519 OD1 ASN A 200 -18.139 -12.165 2.474 1.00 0.00 O ATOM 520 ND2 ASN A 200 -18.767 -13.900 1.207 1.00 0.00 N ATOM 0 H ASN A 200 -15.318 -13.166 0.321 1.00 0.00 H new ATOM 0 HA ASN A 200 -17.785 -13.653 -1.238 1.00 0.00 H new ATOM 0 HB2 ASN A 200 -16.956 -11.256 0.435 1.00 0.00 H new ATOM 0 HB3 ASN A 200 -18.502 -11.484 -0.357 1.00 0.00 H new ATOM 0 HD21 ASN A 200 -19.149 -14.401 2.009 1.00 0.00 H new ATOM 0 HD22 ASN A 200 -18.811 -14.317 0.277 1.00 0.00 H new ATOM 527 N PHE A 201 -15.686 -11.131 -1.656 1.00 0.00 N ATOM 528 CA PHE A 201 -15.028 -10.219 -2.590 1.00 0.00 C ATOM 529 C PHE A 201 -15.824 -9.966 -3.849 1.00 0.00 C ATOM 530 O PHE A 201 -15.743 -10.684 -4.843 1.00 0.00 O ATOM 531 CB PHE A 201 -13.597 -10.656 -2.913 1.00 0.00 C ATOM 532 CG PHE A 201 -13.421 -12.099 -3.321 1.00 0.00 C ATOM 533 CD1 PHE A 201 -13.297 -13.095 -2.365 1.00 0.00 C ATOM 534 CD2 PHE A 201 -13.374 -12.456 -4.658 1.00 0.00 C ATOM 535 CE1 PHE A 201 -13.131 -14.415 -2.737 1.00 0.00 C ATOM 536 CE2 PHE A 201 -13.206 -13.773 -5.035 1.00 0.00 C ATOM 537 CZ PHE A 201 -13.087 -14.756 -4.073 1.00 0.00 C ATOM 0 H PHE A 201 -15.502 -10.904 -0.679 1.00 0.00 H new ATOM 0 HA PHE A 201 -14.974 -9.264 -2.068 1.00 0.00 H new ATOM 0 HB2 PHE A 201 -13.218 -10.023 -3.716 1.00 0.00 H new ATOM 0 HB3 PHE A 201 -12.975 -10.468 -2.038 1.00 0.00 H new ATOM 0 HD1 PHE A 201 -13.331 -12.836 -1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 201 -13.470 -11.693 -5.416 1.00 0.00 H new ATOM 0 HE1 PHE A 201 -13.036 -15.181 -1.981 1.00 0.00 H new ATOM 0 HE2 PHE A 201 -13.168 -14.034 -6.082 1.00 0.00 H new ATOM 0 HZ PHE A 201 -12.960 -15.788 -4.365 1.00 0.00 H new ATOM 547 N THR A 202 -16.565 -8.900 -3.793 1.00 0.00 N ATOM 548 CA THR A 202 -17.332 -8.468 -4.894 1.00 0.00 C ATOM 549 C THR A 202 -16.478 -7.470 -5.651 1.00 0.00 C ATOM 550 O THR A 202 -15.461 -7.044 -5.108 1.00 0.00 O ATOM 551 CB THR A 202 -18.663 -7.833 -4.431 1.00 0.00 C ATOM 552 OG1 THR A 202 -19.271 -8.674 -3.443 1.00 0.00 O ATOM 553 CG2 THR A 202 -19.630 -7.649 -5.591 1.00 0.00 C ATOM 0 H THR A 202 -16.646 -8.308 -2.967 1.00 0.00 H new ATOM 0 HA THR A 202 -17.603 -9.308 -5.534 1.00 0.00 H new ATOM 0 HB THR A 202 -18.440 -6.851 -4.014 1.00 0.00 H new ATOM 0 HG1 THR A 202 -20.114 -8.273 -3.146 1.00 0.00 H new ATOM 0 HG21 THR A 202 -20.554 -7.200 -5.227 1.00 0.00 H new ATOM 0 HG22 THR A 202 -19.180 -6.997 -6.340 1.00 0.00 H new ATOM 0 HG23 THR A 202 -19.849 -8.618 -6.039 1.00 0.00 H new ATOM 561 N GLU A 203 -16.816 -7.093 -6.870 1.00 0.00 N ATOM 562 CA GLU A 203 -16.031 -6.062 -7.536 1.00 0.00 C ATOM 563 C GLU A 203 -15.989 -4.810 -6.670 1.00 0.00 C ATOM 564 O GLU A 203 -14.990 -4.098 -6.651 1.00 0.00 O ATOM 565 CB GLU A 203 -16.575 -5.739 -8.920 1.00 0.00 C ATOM 566 CG GLU A 203 -15.804 -4.630 -9.618 1.00 0.00 C ATOM 567 CD GLU A 203 -16.404 -4.238 -10.949 1.00 0.00 C ATOM 568 OE1 GLU A 203 -16.431 -5.084 -11.868 1.00 0.00 O ATOM 569 OE2 GLU A 203 -16.846 -3.077 -11.085 1.00 0.00 O ATOM 0 H GLU A 203 -17.599 -7.467 -7.406 1.00 0.00 H new ATOM 0 HA GLU A 203 -15.019 -6.443 -7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 203 -16.544 -6.638 -9.535 1.00 0.00 H new ATOM 0 HB3 GLU A 203 -17.622 -5.448 -8.834 1.00 0.00 H new ATOM 0 HG2 GLU A 203 -15.771 -3.755 -8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 203 -14.774 -4.952 -9.771 1.00 0.00 H new ATOM 576 N THR A 204 -17.055 -4.599 -5.900 1.00 0.00 N ATOM 577 CA THR A 204 -17.104 -3.523 -4.928 1.00 0.00 C ATOM 578 C THR A 204 -15.950 -3.664 -3.949 1.00 0.00 C ATOM 579 O THR A 204 -15.161 -2.740 -3.759 1.00 0.00 O ATOM 580 CB THR A 204 -18.406 -3.587 -4.115 1.00 0.00 C ATOM 581 OG1 THR A 204 -19.535 -3.755 -4.986 1.00 0.00 O ATOM 582 CG2 THR A 204 -18.583 -2.326 -3.287 1.00 0.00 C ATOM 0 H THR A 204 -17.901 -5.168 -5.936 1.00 0.00 H new ATOM 0 HA THR A 204 -17.045 -2.579 -5.470 1.00 0.00 H new ATOM 0 HB THR A 204 -18.343 -4.444 -3.444 1.00 0.00 H new ATOM 0 HG1 THR A 204 -20.356 -3.796 -4.453 1.00 0.00 H new ATOM 0 HG21 THR A 204 -19.511 -2.391 -2.719 1.00 0.00 H new ATOM 0 HG22 THR A 204 -17.743 -2.221 -2.600 1.00 0.00 H new ATOM 0 HG23 THR A 204 -18.622 -1.460 -3.947 1.00 0.00 H new ATOM 590 N ASP A 205 -15.855 -4.848 -3.354 1.00 0.00 N ATOM 591 CA ASP A 205 -14.793 -5.163 -2.417 1.00 0.00 C ATOM 592 C ASP A 205 -13.439 -4.974 -3.080 1.00 0.00 C ATOM 593 O ASP A 205 -12.595 -4.256 -2.572 1.00 0.00 O ATOM 594 CB ASP A 205 -14.897 -6.620 -1.930 1.00 0.00 C ATOM 595 CG ASP A 205 -16.186 -6.950 -1.198 1.00 0.00 C ATOM 596 OD1 ASP A 205 -17.264 -6.501 -1.642 1.00 0.00 O ATOM 597 OD2 ASP A 205 -16.129 -7.702 -0.202 1.00 0.00 O ATOM 0 H ASP A 205 -16.512 -5.612 -3.510 1.00 0.00 H new ATOM 0 HA ASP A 205 -14.895 -4.490 -1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -14.802 -7.284 -2.789 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -14.055 -6.830 -1.270 1.00 0.00 H new ATOM 602 N ILE A 206 -13.263 -5.601 -4.238 1.00 0.00 N ATOM 603 CA ILE A 206 -11.952 -5.723 -4.867 1.00 0.00 C ATOM 604 C ILE A 206 -11.435 -4.411 -5.456 1.00 0.00 C ATOM 605 O ILE A 206 -10.247 -4.107 -5.339 1.00 0.00 O ATOM 606 CB ILE A 206 -11.978 -6.834 -5.928 1.00 0.00 C ATOM 607 CG1 ILE A 206 -12.607 -8.076 -5.299 1.00 0.00 C ATOM 608 CG2 ILE A 206 -10.562 -7.136 -6.374 1.00 0.00 C ATOM 609 CD1 ILE A 206 -13.213 -9.066 -6.249 1.00 0.00 C ATOM 0 H ILE A 206 -14.020 -6.037 -4.765 1.00 0.00 H new ATOM 0 HA ILE A 206 -11.247 -5.990 -4.080 1.00 0.00 H new ATOM 0 HB ILE A 206 -12.558 -6.523 -6.797 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -11.843 -8.587 -4.713 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -13.380 -7.753 -4.602 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -10.578 -7.924 -7.127 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -10.115 -6.237 -6.799 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -9.973 -7.464 -5.518 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -13.627 -9.903 -5.687 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -14.007 -8.584 -6.819 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -12.446 -9.431 -6.932 1.00 0.00 H new ATOM 621 N LYS A 207 -12.304 -3.629 -6.075 1.00 0.00 N ATOM 622 CA LYS A 207 -11.903 -2.309 -6.550 1.00 0.00 C ATOM 623 C LYS A 207 -11.559 -1.448 -5.356 1.00 0.00 C ATOM 624 O LYS A 207 -10.544 -0.767 -5.362 1.00 0.00 O ATOM 625 CB LYS A 207 -13.004 -1.683 -7.424 1.00 0.00 C ATOM 626 CG LYS A 207 -14.207 -1.135 -6.666 1.00 0.00 C ATOM 627 CD LYS A 207 -15.471 -1.178 -7.513 1.00 0.00 C ATOM 628 CE LYS A 207 -15.282 -0.517 -8.868 1.00 0.00 C ATOM 629 NZ LYS A 207 -16.490 -0.656 -9.724 1.00 0.00 N ATOM 0 H LYS A 207 -13.276 -3.876 -6.260 1.00 0.00 H new ATOM 0 HA LYS A 207 -11.020 -2.392 -7.184 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -12.565 -0.874 -8.008 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -13.353 -2.434 -8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -14.359 -1.715 -5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -14.008 -0.108 -6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -15.774 -2.215 -7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -16.280 -0.681 -6.979 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -15.055 0.540 -8.728 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -14.425 -0.963 -9.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -16.549 0.153 -10.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -16.427 -1.538 -10.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -17.339 -0.681 -9.124 1.00 0.00 H new ATOM 643 N ALA A 208 -12.365 -1.540 -4.306 1.00 0.00 N ATOM 644 CA ALA A 208 -12.071 -0.846 -3.065 1.00 0.00 C ATOM 645 C ALA A 208 -10.729 -1.307 -2.508 1.00 0.00 C ATOM 646 O ALA A 208 -9.956 -0.498 -1.996 1.00 0.00 O ATOM 647 CB ALA A 208 -13.178 -1.063 -2.047 1.00 0.00 C ATOM 0 H ALA A 208 -13.225 -2.088 -4.292 1.00 0.00 H new ATOM 0 HA ALA A 208 -12.012 0.222 -3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -12.934 -0.533 -1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -14.119 -0.684 -2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -13.276 -2.128 -1.838 1.00 0.00 H new ATOM 653 N MET A 209 -10.452 -2.607 -2.633 1.00 0.00 N ATOM 654 CA MET A 209 -9.174 -3.169 -2.210 1.00 0.00 C ATOM 655 C MET A 209 -8.042 -2.430 -2.891 1.00 0.00 C ATOM 656 O MET A 209 -7.178 -1.890 -2.230 1.00 0.00 O ATOM 657 CB MET A 209 -9.052 -4.660 -2.548 1.00 0.00 C ATOM 658 CG MET A 209 -10.100 -5.546 -1.907 1.00 0.00 C ATOM 659 SD MET A 209 -9.768 -7.294 -2.190 1.00 0.00 S ATOM 660 CE MET A 209 -11.412 -7.944 -2.474 1.00 0.00 C ATOM 0 H MET A 209 -11.100 -3.290 -3.026 1.00 0.00 H new ATOM 0 HA MET A 209 -9.119 -3.058 -1.127 1.00 0.00 H new ATOM 0 HB2 MET A 209 -9.109 -4.778 -3.630 1.00 0.00 H new ATOM 0 HB3 MET A 209 -8.066 -5.008 -2.241 1.00 0.00 H new ATOM 0 HG2 MET A 209 -10.133 -5.352 -0.835 1.00 0.00 H new ATOM 0 HG3 MET A 209 -11.082 -5.294 -2.307 1.00 0.00 H new ATOM 0 HE1 MET A 209 -11.493 -8.936 -2.030 1.00 0.00 H new ATOM 0 HE2 MET A 209 -12.149 -7.282 -2.019 1.00 0.00 H new ATOM 0 HE3 MET A 209 -11.597 -8.010 -3.546 1.00 0.00 H new ATOM 670 N GLU A 210 -8.086 -2.382 -4.220 1.00 0.00 N ATOM 671 CA GLU A 210 -7.046 -1.723 -5.007 1.00 0.00 C ATOM 672 C GLU A 210 -6.843 -0.268 -4.582 1.00 0.00 C ATOM 673 O GLU A 210 -5.737 0.260 -4.678 1.00 0.00 O ATOM 674 CB GLU A 210 -7.381 -1.799 -6.500 1.00 0.00 C ATOM 675 CG GLU A 210 -7.371 -3.217 -7.048 1.00 0.00 C ATOM 676 CD GLU A 210 -7.552 -3.265 -8.553 1.00 0.00 C ATOM 677 OE1 GLU A 210 -8.707 -3.211 -9.025 1.00 0.00 O ATOM 678 OE2 GLU A 210 -6.537 -3.360 -9.277 1.00 0.00 O ATOM 0 H GLU A 210 -8.835 -2.794 -4.777 1.00 0.00 H new ATOM 0 HA GLU A 210 -6.111 -2.251 -4.822 1.00 0.00 H new ATOM 0 HB2 GLU A 210 -8.364 -1.359 -6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 210 -6.664 -1.197 -7.057 1.00 0.00 H new ATOM 0 HG2 GLU A 210 -6.429 -3.697 -6.784 1.00 0.00 H new ATOM 0 HG3 GLU A 210 -8.166 -3.791 -6.572 1.00 0.00 H new ATOM 685 N ARG A 211 -7.899 0.373 -4.090 1.00 0.00 N ATOM 686 CA ARG A 211 -7.791 1.763 -3.654 1.00 0.00 C ATOM 687 C ARG A 211 -7.017 1.833 -2.346 1.00 0.00 C ATOM 688 O ARG A 211 -6.073 2.609 -2.195 1.00 0.00 O ATOM 689 CB ARG A 211 -9.167 2.410 -3.443 1.00 0.00 C ATOM 690 CG ARG A 211 -10.271 1.960 -4.393 1.00 0.00 C ATOM 691 CD ARG A 211 -9.842 1.920 -5.865 1.00 0.00 C ATOM 692 NE ARG A 211 -8.866 2.963 -6.191 1.00 0.00 N ATOM 693 CZ ARG A 211 -9.096 3.980 -7.014 1.00 0.00 C ATOM 694 NH1 ARG A 211 -10.283 4.125 -7.592 1.00 0.00 N ATOM 695 NH2 ARG A 211 -8.130 4.856 -7.247 1.00 0.00 N ATOM 0 H ARG A 211 -8.826 -0.039 -3.984 1.00 0.00 H new ATOM 0 HA ARG A 211 -7.271 2.309 -4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -9.489 2.207 -2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 211 -9.056 3.491 -3.533 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -10.611 0.968 -4.096 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -11.122 2.633 -4.290 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -9.414 0.943 -6.089 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -10.720 2.037 -6.500 1.00 0.00 H new ATOM 0 HE ARG A 211 -7.946 2.904 -5.756 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -11.027 3.452 -7.405 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -10.451 4.909 -8.223 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -7.222 4.745 -6.796 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -8.295 5.641 -7.877 1.00 0.00 H new ATOM 709 N VAL A 212 -7.437 1.015 -1.402 1.00 0.00 N ATOM 710 CA VAL A 212 -6.791 0.936 -0.101 1.00 0.00 C ATOM 711 C VAL A 212 -5.366 0.432 -0.255 1.00 0.00 C ATOM 712 O VAL A 212 -4.476 0.815 0.487 1.00 0.00 O ATOM 713 CB VAL A 212 -7.566 -0.004 0.841 1.00 0.00 C ATOM 714 CG1 VAL A 212 -7.059 0.114 2.271 1.00 0.00 C ATOM 715 CG2 VAL A 212 -9.054 0.287 0.763 1.00 0.00 C ATOM 0 H VAL A 212 -8.233 0.387 -1.511 1.00 0.00 H new ATOM 0 HA VAL A 212 -6.780 1.936 0.332 1.00 0.00 H new ATOM 0 HB VAL A 212 -7.398 -1.031 0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 212 -7.624 -0.561 2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 212 -6.002 -0.152 2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 212 -7.187 1.139 2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 212 -9.592 -0.384 1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 212 -9.239 1.320 1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 212 -9.402 0.134 -0.259 1.00 0.00 H new ATOM 725 N VAL A 213 -5.180 -0.432 -1.233 1.00 0.00 N ATOM 726 CA VAL A 213 -3.891 -1.039 -1.524 1.00 0.00 C ATOM 727 C VAL A 213 -2.906 -0.049 -2.135 1.00 0.00 C ATOM 728 O VAL A 213 -1.739 -0.012 -1.734 1.00 0.00 O ATOM 729 CB VAL A 213 -4.052 -2.242 -2.467 1.00 0.00 C ATOM 730 CG1 VAL A 213 -2.724 -2.635 -3.073 1.00 0.00 C ATOM 731 CG2 VAL A 213 -4.655 -3.416 -1.723 1.00 0.00 C ATOM 0 H VAL A 213 -5.927 -0.738 -1.857 1.00 0.00 H new ATOM 0 HA VAL A 213 -3.486 -1.372 -0.568 1.00 0.00 H new ATOM 0 HB VAL A 213 -4.724 -1.952 -3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 213 -2.865 -3.488 -3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 213 -2.321 -1.797 -3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 213 -2.027 -2.904 -2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 213 -4.763 -4.261 -2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 213 -4.002 -3.697 -0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -5.634 -3.136 -1.333 1.00 0.00 H new ATOM 741 N GLU A 214 -3.353 0.745 -3.104 1.00 0.00 N ATOM 742 CA GLU A 214 -2.469 1.731 -3.710 1.00 0.00 C ATOM 743 C GLU A 214 -1.956 2.663 -2.620 1.00 0.00 C ATOM 744 O GLU A 214 -0.775 2.986 -2.568 1.00 0.00 O ATOM 745 CB GLU A 214 -3.173 2.504 -4.842 1.00 0.00 C ATOM 746 CG GLU A 214 -4.239 3.482 -4.378 1.00 0.00 C ATOM 747 CD GLU A 214 -5.018 4.098 -5.522 1.00 0.00 C ATOM 748 OE1 GLU A 214 -4.392 4.612 -6.471 1.00 0.00 O ATOM 749 OE2 GLU A 214 -6.266 4.094 -5.463 1.00 0.00 O ATOM 0 H GLU A 214 -4.301 0.726 -3.479 1.00 0.00 H new ATOM 0 HA GLU A 214 -1.623 1.223 -4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 214 -2.422 3.051 -5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 214 -3.630 1.786 -5.523 1.00 0.00 H new ATOM 0 HG2 GLU A 214 -4.930 2.967 -3.711 1.00 0.00 H new ATOM 0 HG3 GLU A 214 -3.768 4.276 -3.798 1.00 0.00 H new ATOM 756 N GLN A 215 -2.847 3.028 -1.709 1.00 0.00 N ATOM 757 CA GLN A 215 -2.482 3.810 -0.539 1.00 0.00 C ATOM 758 C GLN A 215 -1.726 2.972 0.480 1.00 0.00 C ATOM 759 O GLN A 215 -0.992 3.510 1.276 1.00 0.00 O ATOM 760 CB GLN A 215 -3.715 4.440 0.098 1.00 0.00 C ATOM 761 CG GLN A 215 -4.228 5.649 -0.667 1.00 0.00 C ATOM 762 CD GLN A 215 -3.222 6.783 -0.701 1.00 0.00 C ATOM 763 OE1 GLN A 215 -3.186 7.623 0.195 1.00 0.00 O ATOM 764 NE2 GLN A 215 -2.401 6.819 -1.739 1.00 0.00 N ATOM 0 H GLN A 215 -3.838 2.791 -1.760 1.00 0.00 H new ATOM 0 HA GLN A 215 -1.818 4.607 -0.873 1.00 0.00 H new ATOM 0 HB2 GLN A 215 -4.507 3.693 0.159 1.00 0.00 H new ATOM 0 HB3 GLN A 215 -3.477 4.737 1.119 1.00 0.00 H new ATOM 0 HG2 GLN A 215 -4.472 5.353 -1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 215 -5.152 6.001 -0.208 1.00 0.00 H new ATOM 0 HE21 GLN A 215 -2.462 6.103 -2.463 1.00 0.00 H new ATOM 0 HE22 GLN A 215 -1.707 7.563 -1.815 1.00 0.00 H new ATOM 773 N MET A 216 -1.933 1.667 0.478 1.00 0.00 N ATOM 774 CA MET A 216 -1.240 0.785 1.412 1.00 0.00 C ATOM 775 C MET A 216 0.257 0.796 1.136 1.00 0.00 C ATOM 776 O MET A 216 1.068 0.991 2.042 1.00 0.00 O ATOM 777 CB MET A 216 -1.813 -0.643 1.344 1.00 0.00 C ATOM 778 CG MET A 216 -1.162 -1.618 2.316 1.00 0.00 C ATOM 779 SD MET A 216 -2.227 -3.020 2.744 1.00 0.00 S ATOM 780 CE MET A 216 -2.374 -3.873 1.175 1.00 0.00 C ATOM 0 H MET A 216 -2.574 1.191 -0.157 1.00 0.00 H new ATOM 0 HA MET A 216 -1.400 1.155 2.425 1.00 0.00 H new ATOM 0 HB2 MET A 216 -2.883 -0.604 1.546 1.00 0.00 H new ATOM 0 HB3 MET A 216 -1.694 -1.023 0.329 1.00 0.00 H new ATOM 0 HG2 MET A 216 -0.237 -1.993 1.879 1.00 0.00 H new ATOM 0 HG3 MET A 216 -0.890 -1.085 3.227 1.00 0.00 H new ATOM 0 HE1 MET A 216 -3.377 -4.289 1.080 1.00 0.00 H new ATOM 0 HE2 MET A 216 -2.194 -3.171 0.361 1.00 0.00 H new ATOM 0 HE3 MET A 216 -1.641 -4.678 1.129 1.00 0.00 H new ATOM 790 N CYS A 217 0.619 0.624 -0.122 1.00 0.00 N ATOM 791 CA CYS A 217 2.023 0.670 -0.520 1.00 0.00 C ATOM 792 C CYS A 217 2.544 2.093 -0.602 1.00 0.00 C ATOM 793 O CYS A 217 3.699 2.347 -0.288 1.00 0.00 O ATOM 794 CB CYS A 217 2.251 -0.043 -1.846 1.00 0.00 C ATOM 795 SG CYS A 217 2.498 -1.831 -1.657 1.00 0.00 S ATOM 0 H CYS A 217 -0.033 0.451 -0.887 1.00 0.00 H new ATOM 0 HA CYS A 217 2.581 0.148 0.257 1.00 0.00 H new ATOM 0 HB2 CYS A 217 1.396 0.133 -2.498 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.122 0.388 -2.339 1.00 0.00 H new ATOM 800 N ILE A 218 1.706 3.023 -1.019 1.00 0.00 N ATOM 801 CA ILE A 218 2.111 4.418 -1.059 1.00 0.00 C ATOM 802 C ILE A 218 2.258 4.965 0.363 1.00 0.00 C ATOM 803 O ILE A 218 3.077 5.841 0.622 1.00 0.00 O ATOM 804 CB ILE A 218 1.134 5.246 -1.928 1.00 0.00 C ATOM 805 CG1 ILE A 218 1.396 4.917 -3.398 1.00 0.00 C ATOM 806 CG2 ILE A 218 1.283 6.732 -1.685 1.00 0.00 C ATOM 807 CD1 ILE A 218 0.382 5.481 -4.369 1.00 0.00 C ATOM 0 H ILE A 218 0.752 2.843 -1.332 1.00 0.00 H new ATOM 0 HA ILE A 218 3.089 4.499 -1.534 1.00 0.00 H new ATOM 0 HB ILE A 218 0.112 4.983 -1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 218 2.383 5.292 -3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 218 1.424 3.833 -3.513 1.00 0.00 H new ATOM 0 HG21 ILE A 218 0.579 7.276 -2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 218 1.077 6.952 -0.637 1.00 0.00 H new ATOM 0 HG23 ILE A 218 2.300 7.040 -1.928 1.00 0.00 H new ATOM 0 HD11 ILE A 218 0.653 5.195 -5.385 1.00 0.00 H new ATOM 0 HD12 ILE A 218 -0.607 5.087 -4.132 1.00 0.00 H new ATOM 0 HD13 ILE A 218 0.368 6.568 -4.290 1.00 0.00 H new ATOM 819 N THR A 219 1.495 4.408 1.290 1.00 0.00 N ATOM 820 CA THR A 219 1.721 4.649 2.711 1.00 0.00 C ATOM 821 C THR A 219 3.056 4.050 3.149 1.00 0.00 C ATOM 822 O THR A 219 3.804 4.672 3.892 1.00 0.00 O ATOM 823 CB THR A 219 0.566 4.086 3.577 1.00 0.00 C ATOM 824 OG1 THR A 219 -0.583 4.938 3.476 1.00 0.00 O ATOM 825 CG2 THR A 219 0.970 3.935 5.036 1.00 0.00 C ATOM 0 H THR A 219 0.713 3.785 1.087 1.00 0.00 H new ATOM 0 HA THR A 219 1.752 5.728 2.861 1.00 0.00 H new ATOM 0 HB THR A 219 0.324 3.094 3.196 1.00 0.00 H new ATOM 0 HG1 THR A 219 -1.091 4.708 2.670 1.00 0.00 H new ATOM 0 HG21 THR A 219 0.131 3.537 5.607 1.00 0.00 H new ATOM 0 HG22 THR A 219 1.816 3.251 5.110 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.253 4.908 5.438 1.00 0.00 H new ATOM 833 N GLN A 220 3.357 2.849 2.668 1.00 0.00 N ATOM 834 CA GLN A 220 4.662 2.231 2.910 1.00 0.00 C ATOM 835 C GLN A 220 5.779 3.117 2.366 1.00 0.00 C ATOM 836 O GLN A 220 6.831 3.261 2.980 1.00 0.00 O ATOM 837 CB GLN A 220 4.733 0.848 2.263 1.00 0.00 C ATOM 838 CG GLN A 220 3.905 -0.203 2.979 1.00 0.00 C ATOM 839 CD GLN A 220 4.582 -0.766 4.219 1.00 0.00 C ATOM 840 OE1 GLN A 220 5.403 0.037 4.881 1.00 0.00 O flip ATOM 841 NE2 GLN A 220 4.374 -1.924 4.575 1.00 0.00 N flip ATOM 0 H GLN A 220 2.719 2.282 2.109 1.00 0.00 H new ATOM 0 HA GLN A 220 4.791 2.119 3.987 1.00 0.00 H new ATOM 0 HB2 GLN A 220 4.395 0.922 1.229 1.00 0.00 H new ATOM 0 HB3 GLN A 220 5.773 0.522 2.236 1.00 0.00 H new ATOM 0 HG2 GLN A 220 2.947 0.232 3.263 1.00 0.00 H new ATOM 0 HG3 GLN A 220 3.692 -1.019 2.289 1.00 0.00 H new ATOM 0 HE21 GLN A 220 3.736 -2.515 4.042 1.00 0.00 H new ATOM 0 HE22 GLN A 220 4.840 -2.294 5.404 1.00 0.00 H new ATOM 850 N TYR A 221 5.520 3.707 1.211 1.00 0.00 N ATOM 851 CA TYR A 221 6.440 4.633 0.568 1.00 0.00 C ATOM 852 C TYR A 221 6.648 5.885 1.430 1.00 0.00 C ATOM 853 O TYR A 221 7.777 6.347 1.610 1.00 0.00 O ATOM 854 CB TYR A 221 5.887 4.980 -0.827 1.00 0.00 C ATOM 855 CG TYR A 221 6.047 6.433 -1.236 1.00 0.00 C ATOM 856 CD1 TYR A 221 7.256 6.923 -1.704 1.00 0.00 C ATOM 857 CD2 TYR A 221 4.977 7.313 -1.144 1.00 0.00 C ATOM 858 CE1 TYR A 221 7.392 8.249 -2.069 1.00 0.00 C ATOM 859 CE2 TYR A 221 5.104 8.638 -1.506 1.00 0.00 C ATOM 860 CZ TYR A 221 6.314 9.103 -1.967 1.00 0.00 C ATOM 861 OH TYR A 221 6.449 10.427 -2.327 1.00 0.00 O ATOM 0 H TYR A 221 4.658 3.556 0.688 1.00 0.00 H new ATOM 0 HA TYR A 221 7.420 4.169 0.456 1.00 0.00 H new ATOM 0 HB2 TYR A 221 6.386 4.353 -1.566 1.00 0.00 H new ATOM 0 HB3 TYR A 221 4.828 4.724 -0.856 1.00 0.00 H new ATOM 0 HD1 TYR A 221 8.104 6.259 -1.785 1.00 0.00 H new ATOM 0 HD2 TYR A 221 4.026 6.953 -0.782 1.00 0.00 H new ATOM 0 HE1 TYR A 221 8.340 8.616 -2.433 1.00 0.00 H new ATOM 0 HE2 TYR A 221 4.259 9.306 -1.428 1.00 0.00 H new ATOM 0 HH TYR A 221 7.374 10.714 -2.177 1.00 0.00 H new ATOM 871 N GLN A 222 5.556 6.427 1.962 1.00 0.00 N ATOM 872 CA GLN A 222 5.633 7.561 2.883 1.00 0.00 C ATOM 873 C GLN A 222 6.399 7.166 4.138 1.00 0.00 C ATOM 874 O GLN A 222 7.267 7.900 4.614 1.00 0.00 O ATOM 875 CB GLN A 222 4.229 8.032 3.264 1.00 0.00 C ATOM 876 CG GLN A 222 3.421 8.565 2.094 1.00 0.00 C ATOM 877 CD GLN A 222 1.966 8.777 2.450 1.00 0.00 C ATOM 878 OE1 GLN A 222 1.630 9.064 3.599 1.00 0.00 O ATOM 879 NE2 GLN A 222 1.088 8.628 1.474 1.00 0.00 N ATOM 0 H GLN A 222 4.608 6.101 1.773 1.00 0.00 H new ATOM 0 HA GLN A 222 6.158 8.376 2.385 1.00 0.00 H new ATOM 0 HB2 GLN A 222 3.688 7.202 3.718 1.00 0.00 H new ATOM 0 HB3 GLN A 222 4.311 8.811 4.022 1.00 0.00 H new ATOM 0 HG2 GLN A 222 3.852 9.508 1.758 1.00 0.00 H new ATOM 0 HG3 GLN A 222 3.491 7.867 1.259 1.00 0.00 H new ATOM 0 HE21 GLN A 222 1.405 8.390 0.534 1.00 0.00 H new ATOM 0 HE22 GLN A 222 0.093 8.751 1.660 1.00 0.00 H new ATOM 888 N ARG A 223 6.074 5.987 4.649 1.00 0.00 N ATOM 889 CA ARG A 223 6.718 5.439 5.829 1.00 0.00 C ATOM 890 C ARG A 223 8.210 5.288 5.603 1.00 0.00 C ATOM 891 O ARG A 223 8.998 5.553 6.496 1.00 0.00 O ATOM 892 CB ARG A 223 6.093 4.087 6.201 1.00 0.00 C ATOM 893 CG ARG A 223 6.752 3.402 7.392 1.00 0.00 C ATOM 894 CD ARG A 223 7.844 2.430 6.961 1.00 0.00 C ATOM 895 NE ARG A 223 8.419 1.713 8.097 1.00 0.00 N ATOM 896 CZ ARG A 223 9.644 1.186 8.110 1.00 0.00 C ATOM 897 NH1 ARG A 223 10.431 1.274 7.045 1.00 0.00 N ATOM 898 NH2 ARG A 223 10.086 0.558 9.193 1.00 0.00 N ATOM 0 H ARG A 223 5.353 5.383 4.254 1.00 0.00 H new ATOM 0 HA ARG A 223 6.565 6.132 6.656 1.00 0.00 H new ATOM 0 HB2 ARG A 223 5.036 4.236 6.421 1.00 0.00 H new ATOM 0 HB3 ARG A 223 6.149 3.424 5.338 1.00 0.00 H new ATOM 0 HG2 ARG A 223 7.179 4.156 8.053 1.00 0.00 H new ATOM 0 HG3 ARG A 223 5.996 2.866 7.966 1.00 0.00 H new ATOM 0 HD2 ARG A 223 7.431 1.713 6.251 1.00 0.00 H new ATOM 0 HD3 ARG A 223 8.631 2.976 6.441 1.00 0.00 H new ATOM 0 HE ARG A 223 7.846 1.609 8.935 1.00 0.00 H new ATOM 0 HH11 ARG A 223 10.101 1.749 6.205 1.00 0.00 H new ATOM 0 HH12 ARG A 223 11.366 0.867 7.067 1.00 0.00 H new ATOM 0 HH21 ARG A 223 9.489 0.478 10.016 1.00 0.00 H new ATOM 0 HH22 ARG A 223 11.023 0.155 9.202 1.00 0.00 H new ATOM 912 N GLU A 224 8.596 4.859 4.412 1.00 0.00 N ATOM 913 CA GLU A 224 10.007 4.715 4.092 1.00 0.00 C ATOM 914 C GLU A 224 10.679 6.074 4.099 1.00 0.00 C ATOM 915 O GLU A 224 11.760 6.260 4.661 1.00 0.00 O ATOM 916 CB GLU A 224 10.205 4.096 2.714 1.00 0.00 C ATOM 917 CG GLU A 224 11.512 3.340 2.612 1.00 0.00 C ATOM 918 CD GLU A 224 11.464 2.018 3.358 1.00 0.00 C ATOM 919 OE1 GLU A 224 11.433 2.040 4.606 1.00 0.00 O ATOM 920 OE2 GLU A 224 11.432 0.959 2.699 1.00 0.00 O ATOM 0 H GLU A 224 7.958 4.606 3.657 1.00 0.00 H new ATOM 0 HA GLU A 224 10.447 4.062 4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 224 9.378 3.420 2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 224 10.181 4.881 1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 224 11.744 3.156 1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 224 12.318 3.954 3.014 1.00 0.00 H new ATOM 927 N SER A 225 10.022 7.022 3.463 1.00 0.00 N ATOM 928 CA SER A 225 10.533 8.368 3.367 1.00 0.00 C ATOM 929 C SER A 225 10.708 8.984 4.747 1.00 0.00 C ATOM 930 O SER A 225 11.700 9.657 5.001 1.00 0.00 O ATOM 931 CB SER A 225 9.592 9.219 2.517 1.00 0.00 C ATOM 932 OG SER A 225 9.365 8.614 1.257 1.00 0.00 O ATOM 0 H SER A 225 9.124 6.879 3.001 1.00 0.00 H new ATOM 0 HA SER A 225 11.512 8.334 2.890 1.00 0.00 H new ATOM 0 HB2 SER A 225 8.644 9.351 3.038 1.00 0.00 H new ATOM 0 HB3 SER A 225 10.019 10.212 2.377 1.00 0.00 H new ATOM 0 HG SER A 225 8.770 7.843 1.367 1.00 0.00 H new ATOM 938 N GLN A 226 9.738 8.777 5.627 1.00 0.00 N ATOM 939 CA GLN A 226 9.852 9.264 6.991 1.00 0.00 C ATOM 940 C GLN A 226 10.863 8.439 7.769 1.00 0.00 C ATOM 941 O GLN A 226 11.521 8.947 8.672 1.00 0.00 O ATOM 942 CB GLN A 226 8.485 9.276 7.689 1.00 0.00 C ATOM 943 CG GLN A 226 7.992 7.918 8.169 1.00 0.00 C ATOM 944 CD GLN A 226 8.176 7.712 9.664 1.00 0.00 C ATOM 945 OE1 GLN A 226 9.314 7.161 10.057 1.00 0.00 O flip ATOM 946 NE2 GLN A 226 7.298 8.044 10.459 1.00 0.00 N flip ATOM 0 H GLN A 226 8.871 8.280 5.422 1.00 0.00 H new ATOM 0 HA GLN A 226 10.211 10.293 6.958 1.00 0.00 H new ATOM 0 HB2 GLN A 226 8.537 9.949 8.545 1.00 0.00 H new ATOM 0 HB3 GLN A 226 7.747 9.691 7.002 1.00 0.00 H new ATOM 0 HG2 GLN A 226 6.936 7.813 7.921 1.00 0.00 H new ATOM 0 HG3 GLN A 226 8.525 7.134 7.632 1.00 0.00 H new ATOM 0 HE21 GLN A 226 6.434 8.466 10.118 1.00 0.00 H new ATOM 0 HE22 GLN A 226 7.434 7.897 11.459 1.00 0.00 H new ATOM 955 N ALA A 227 10.964 7.160 7.421 1.00 0.00 N ATOM 956 CA ALA A 227 11.899 6.252 8.070 1.00 0.00 C ATOM 957 C ALA A 227 13.307 6.810 8.032 1.00 0.00 C ATOM 958 O ALA A 227 13.953 6.963 9.070 1.00 0.00 O ATOM 959 CB ALA A 227 11.872 4.881 7.400 1.00 0.00 C ATOM 0 H ALA A 227 10.404 6.728 6.686 1.00 0.00 H new ATOM 0 HA ALA A 227 11.591 6.145 9.110 1.00 0.00 H new ATOM 0 HB1 ALA A 227 12.578 4.218 7.900 1.00 0.00 H new ATOM 0 HB2 ALA A 227 10.868 4.462 7.469 1.00 0.00 H new ATOM 0 HB3 ALA A 227 12.151 4.983 6.351 1.00 0.00 H new ATOM 965 N TYR A 228 13.779 7.127 6.839 1.00 0.00 N ATOM 966 CA TYR A 228 15.122 7.641 6.696 1.00 0.00 C ATOM 967 C TYR A 228 15.146 9.165 6.741 1.00 0.00 C ATOM 968 O TYR A 228 16.167 9.764 7.077 1.00 0.00 O ATOM 969 CB TYR A 228 15.750 7.132 5.401 1.00 0.00 C ATOM 970 CG TYR A 228 17.249 7.301 5.330 1.00 0.00 C ATOM 971 CD1 TYR A 228 18.078 6.648 6.233 1.00 0.00 C ATOM 972 CD2 TYR A 228 17.835 8.107 4.364 1.00 0.00 C ATOM 973 CE1 TYR A 228 19.450 6.794 6.175 1.00 0.00 C ATOM 974 CE2 TYR A 228 19.208 8.256 4.298 1.00 0.00 C ATOM 975 CZ TYR A 228 20.010 7.597 5.206 1.00 0.00 C ATOM 976 OH TYR A 228 21.379 7.741 5.147 1.00 0.00 O ATOM 0 H TYR A 228 13.257 7.038 5.967 1.00 0.00 H new ATOM 0 HA TYR A 228 15.710 7.278 7.539 1.00 0.00 H new ATOM 0 HB2 TYR A 228 15.509 6.075 5.285 1.00 0.00 H new ATOM 0 HB3 TYR A 228 15.297 7.657 4.560 1.00 0.00 H new ATOM 0 HD1 TYR A 228 17.643 6.016 6.993 1.00 0.00 H new ATOM 0 HD2 TYR A 228 17.209 8.626 3.653 1.00 0.00 H new ATOM 0 HE1 TYR A 228 20.081 6.281 6.886 1.00 0.00 H new ATOM 0 HE2 TYR A 228 19.650 8.885 3.539 1.00 0.00 H new ATOM 0 HH TYR A 228 21.613 8.339 4.407 1.00 0.00 H new ATOM 986 N TYR A 229 14.008 9.784 6.412 1.00 0.00 N ATOM 987 CA TYR A 229 13.956 11.222 6.170 1.00 0.00 C ATOM 988 C TYR A 229 14.988 11.601 5.118 1.00 0.00 C ATOM 989 O TYR A 229 15.829 12.466 5.350 1.00 0.00 O ATOM 990 CB TYR A 229 14.168 12.027 7.459 1.00 0.00 C ATOM 991 CG TYR A 229 12.996 11.965 8.414 1.00 0.00 C ATOM 992 CD1 TYR A 229 11.727 12.374 8.014 1.00 0.00 C ATOM 993 CD2 TYR A 229 13.152 11.504 9.715 1.00 0.00 C ATOM 994 CE1 TYR A 229 10.652 12.322 8.881 1.00 0.00 C ATOM 995 CE2 TYR A 229 12.080 11.450 10.586 1.00 0.00 C ATOM 996 CZ TYR A 229 10.834 11.857 10.165 1.00 0.00 C ATOM 997 OH TYR A 229 9.765 11.802 11.033 1.00 0.00 O ATOM 0 H TYR A 229 13.112 9.308 6.308 1.00 0.00 H new ATOM 0 HA TYR A 229 12.960 11.470 5.802 1.00 0.00 H new ATOM 0 HB2 TYR A 229 15.059 11.656 7.966 1.00 0.00 H new ATOM 0 HB3 TYR A 229 14.359 13.068 7.199 1.00 0.00 H new ATOM 0 HD1 TYR A 229 11.580 12.739 7.008 1.00 0.00 H new ATOM 0 HD2 TYR A 229 14.127 11.183 10.051 1.00 0.00 H new ATOM 0 HE1 TYR A 229 9.675 12.644 8.554 1.00 0.00 H new ATOM 0 HE2 TYR A 229 12.220 11.089 11.594 1.00 0.00 H new ATOM 0 HH TYR A 229 10.063 11.450 11.897 1.00 0.00 H new ATOM 1007 N GLN A 230 14.920 10.888 3.979 1.00 0.00 N ATOM 1008 CA GLN A 230 15.778 11.140 2.807 1.00 0.00 C ATOM 1009 C GLN A 230 16.026 12.637 2.606 1.00 0.00 C ATOM 1010 O GLN A 230 17.023 13.180 3.082 1.00 0.00 O ATOM 1011 CB GLN A 230 15.201 10.497 1.528 1.00 0.00 C ATOM 1012 CG GLN A 230 13.713 10.242 1.557 1.00 0.00 C ATOM 1013 CD GLN A 230 12.879 11.428 1.106 1.00 0.00 C ATOM 1014 OE1 GLN A 230 13.300 12.210 0.263 1.00 0.00 O ATOM 1015 NE2 GLN A 230 11.697 11.581 1.676 1.00 0.00 N ATOM 0 H GLN A 230 14.265 10.117 3.845 1.00 0.00 H new ATOM 0 HA GLN A 230 16.740 10.667 3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 230 15.427 11.144 0.680 1.00 0.00 H new ATOM 0 HB3 GLN A 230 15.713 9.551 1.352 1.00 0.00 H new ATOM 0 HG2 GLN A 230 13.488 9.388 0.919 1.00 0.00 H new ATOM 0 HG3 GLN A 230 13.420 9.968 2.571 1.00 0.00 H new ATOM 0 HE21 GLN A 230 11.377 10.910 2.375 1.00 0.00 H new ATOM 0 HE22 GLN A 230 11.104 12.370 1.417 1.00 0.00 H new ATOM 1024 N ARG A 231 15.156 13.287 1.862 1.00 0.00 N ATOM 1025 CA ARG A 231 15.014 14.726 1.953 1.00 0.00 C ATOM 1026 C ARG A 231 13.985 15.023 3.036 1.00 0.00 C ATOM 1027 O ARG A 231 14.118 15.954 3.828 1.00 0.00 O ATOM 1028 CB ARG A 231 14.561 15.313 0.616 1.00 0.00 C ATOM 1029 CG ARG A 231 14.107 16.755 0.726 1.00 0.00 C ATOM 1030 CD ARG A 231 15.282 17.705 0.912 1.00 0.00 C ATOM 1031 NE ARG A 231 16.047 17.867 -0.323 1.00 0.00 N ATOM 1032 CZ ARG A 231 17.334 18.203 -0.376 1.00 0.00 C ATOM 1033 NH1 ARG A 231 18.029 18.387 0.740 1.00 0.00 N ATOM 1034 NH2 ARG A 231 17.928 18.353 -1.554 1.00 0.00 N ATOM 0 H ARG A 231 14.535 12.841 1.186 1.00 0.00 H new ATOM 0 HA ARG A 231 15.973 15.181 2.201 1.00 0.00 H new ATOM 0 HB2 ARG A 231 15.381 15.250 -0.099 1.00 0.00 H new ATOM 0 HB3 ARG A 231 13.745 14.710 0.219 1.00 0.00 H new ATOM 0 HG2 ARG A 231 13.555 17.032 -0.172 1.00 0.00 H new ATOM 0 HG3 ARG A 231 13.421 16.857 1.567 1.00 0.00 H new ATOM 0 HD2 ARG A 231 14.915 18.677 1.243 1.00 0.00 H new ATOM 0 HD3 ARG A 231 15.935 17.326 1.698 1.00 0.00 H new ATOM 0 HE ARG A 231 15.561 17.712 -1.206 1.00 0.00 H new ATOM 0 HH11 ARG A 231 17.577 18.271 1.647 1.00 0.00 H new ATOM 0 HH12 ARG A 231 19.015 18.644 0.690 1.00 0.00 H new ATOM 0 HH21 ARG A 231 17.398 18.211 -2.414 1.00 0.00 H new ATOM 0 HH22 ARG A 231 18.914 18.610 -1.599 1.00 0.00 H new ATOM 1048 N GLY A 232 12.959 14.187 3.041 1.00 0.00 N ATOM 1049 CA GLY A 232 11.922 14.241 4.046 1.00 0.00 C ATOM 1050 C GLY A 232 10.563 14.464 3.417 1.00 0.00 C ATOM 1051 O GLY A 232 10.411 15.340 2.571 1.00 0.00 O ATOM 0 H GLY A 232 12.826 13.453 2.345 1.00 0.00 H new ATOM 0 HA2 GLY A 232 11.914 13.311 4.615 1.00 0.00 H new ATOM 0 HA3 GLY A 232 12.136 15.045 4.751 1.00 0.00 H new ATOM 1055 N ALA A 233 9.583 13.661 3.810 1.00 0.00 N ATOM 1056 CA ALA A 233 8.251 13.739 3.218 1.00 0.00 C ATOM 1057 C ALA A 233 7.172 13.511 4.270 1.00 0.00 C ATOM 1058 O ALA A 233 6.055 13.101 3.956 1.00 0.00 O ATOM 1059 CB ALA A 233 8.113 12.727 2.090 1.00 0.00 C ATOM 0 H ALA A 233 9.683 12.950 4.534 1.00 0.00 H new ATOM 0 HA ALA A 233 8.120 14.741 2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 233 7.115 12.797 1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 233 8.856 12.936 1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 233 8.269 11.722 2.482 1.00 0.00 H new ATOM 1065 N SER A 234 7.513 13.787 5.518 1.00 0.00 N ATOM 1066 CA SER A 234 6.602 13.570 6.626 1.00 0.00 C ATOM 1067 C SER A 234 6.939 14.537 7.755 1.00 0.00 C ATOM 1068 O SER A 234 6.252 15.572 7.869 1.00 0.00 O ATOM 1069 CB SER A 234 6.697 12.112 7.094 1.00 0.00 C ATOM 1070 OG SER A 234 5.778 11.824 8.135 1.00 0.00 O ATOM 1071 OXT SER A 234 7.914 14.283 8.494 1.00 0.00 O ATOM 0 H SER A 234 8.421 14.164 5.789 1.00 0.00 H new ATOM 0 HA SER A 234 5.576 13.757 6.308 1.00 0.00 H new ATOM 0 HB2 SER A 234 6.508 11.448 6.250 1.00 0.00 H new ATOM 0 HB3 SER A 234 7.711 11.908 7.439 1.00 0.00 H new ATOM 0 HG SER A 234 5.870 10.886 8.402 1.00 0.00 H new TER 1077 SER A 234