USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 590 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 Single : A 24 THR OG1 : rot 33:sc= 0.121 USER MOD Single : A 33 ASN : amide:sc= -0.0186 K(o=-0.019,f=-0.7) USER MOD Single : A 34 HIS : no HE2:sc= 0.0187 K(o=0.019,f=-2.1) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 160:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.0434 (180deg=-0.284) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.198 USER MOD Single : A 52 LYS NZ :NH3+ -120:sc= -0.218 (180deg=-1.67!) USER MOD Single : A 55 GLN : amide:sc= -0.455 X(o=-0.46,f=0) USER MOD Single : A 56 THR OG1 : rot 77:sc= 0.64 USER MOD Single : A 57 GLN : amide:sc= -1.05 K(o=-1,f=-0.069) USER MOD Single : A 58 SER OG : rot 56:sc= 0.182 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.101 K(o=-0.1,f=-0.66) USER MOD Single : A 63 SER OG : rot -159:sc= -0.587 USER MOD Single : A 67 GLN : amide:sc= -0.513 K(o=-0.51,f=0.05) USER MOD Single : A 82 GLN : amide:sc= -0.492 X(o=-0.49,f=0) USER MOD Single : A 86 THR OG1 : rot 59:sc= -0.921 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 173:sc= -3.32! (180deg=-3.5!) USER MOD Single : A 91 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-0.32) USER MOD Single : A 94 CYS SG : rot 36:sc= -0.467 USER MOD Single : A 97 GLN : amide:sc= -0.047 X(o=-0.047,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.919 USER MOD Single : A 103 GLN : amide:sc= -0.0646 X(o=-0.065,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 54 N THR A 24 2.681 -9.907 0.984 1.00 0.00 N ATOM 55 CA THR A 24 2.515 -11.259 1.535 1.00 0.00 C ATOM 56 C THR A 24 2.224 -12.270 0.409 1.00 0.00 C ATOM 57 O THR A 24 1.205 -12.168 -0.284 1.00 0.00 O ATOM 58 CB THR A 24 1.370 -11.273 2.600 1.00 0.00 C ATOM 59 OG1 THR A 24 1.664 -10.306 3.625 1.00 0.00 O ATOM 60 CG2 THR A 24 1.165 -12.657 3.253 1.00 0.00 C ATOM 0 HA THR A 24 3.444 -11.552 2.023 1.00 0.00 H new ATOM 0 HB THR A 24 0.446 -11.025 2.078 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.148 -9.550 3.232 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.357 -12.599 3.982 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.910 -13.387 2.485 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.084 -12.963 3.753 1.00 0.00 H new ATOM 68 N LEU A 25 3.151 -13.222 0.223 1.00 0.00 N ATOM 69 CA LEU A 25 3.049 -14.271 -0.798 1.00 0.00 C ATOM 70 C LEU A 25 2.462 -15.545 -0.175 1.00 0.00 C ATOM 71 O LEU A 25 3.129 -16.244 0.592 1.00 0.00 O ATOM 72 CB LEU A 25 4.444 -14.533 -1.425 1.00 0.00 C ATOM 73 CG LEU A 25 5.101 -13.308 -2.148 1.00 0.00 C ATOM 74 CD1 LEU A 25 6.467 -13.670 -2.768 1.00 0.00 C ATOM 75 CD2 LEU A 25 4.150 -12.695 -3.204 1.00 0.00 C ATOM 0 H LEU A 25 4.001 -13.284 0.784 1.00 0.00 H new ATOM 0 HA LEU A 25 2.380 -13.947 -1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.118 -14.873 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.353 -15.349 -2.142 1.00 0.00 H new ATOM 0 HG LEU A 25 5.283 -12.549 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.888 -12.793 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.145 -14.007 -1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.335 -14.467 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.639 -11.848 -3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.906 -13.447 -3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.235 -12.358 -2.717 1.00 0.00 H new ATOM 87 N VAL A 26 1.183 -15.790 -0.477 1.00 0.00 N ATOM 88 CA VAL A 26 0.431 -16.966 -0.024 1.00 0.00 C ATOM 89 C VAL A 26 0.484 -18.041 -1.127 1.00 0.00 C ATOM 90 O VAL A 26 0.080 -17.787 -2.268 1.00 0.00 O ATOM 91 CB VAL A 26 -1.067 -16.579 0.280 1.00 0.00 C ATOM 92 CG1 VAL A 26 -1.899 -17.785 0.784 1.00 0.00 C ATOM 93 CG2 VAL A 26 -1.154 -15.381 1.261 1.00 0.00 C ATOM 0 H VAL A 26 0.628 -15.161 -1.057 1.00 0.00 H new ATOM 0 HA VAL A 26 0.876 -17.351 0.893 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.509 -16.268 -0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.923 -17.465 0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.902 -18.568 0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.459 -18.172 1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.200 -15.140 1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.667 -15.644 2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.655 -14.516 0.824 1.00 0.00 H new ATOM 103 N ARG A 27 1.005 -19.227 -0.781 1.00 0.00 N ATOM 104 CA ARG A 27 1.064 -20.383 -1.694 1.00 0.00 C ATOM 105 C ARG A 27 -0.308 -21.071 -1.773 1.00 0.00 C ATOM 106 O ARG A 27 -1.212 -20.780 -0.970 1.00 0.00 O ATOM 107 CB ARG A 27 2.132 -21.406 -1.220 1.00 0.00 C ATOM 108 CG ARG A 27 3.544 -20.813 -1.025 1.00 0.00 C ATOM 109 CD ARG A 27 4.534 -21.847 -0.455 1.00 0.00 C ATOM 110 NE ARG A 27 5.846 -21.261 -0.118 1.00 0.00 N ATOM 111 CZ ARG A 27 7.005 -21.944 -0.033 1.00 0.00 C ATOM 112 NH1 ARG A 27 7.079 -23.228 -0.390 1.00 0.00 N ATOM 113 NH2 ARG A 27 8.093 -21.323 0.387 1.00 0.00 N ATOM 0 H ARG A 27 1.399 -19.414 0.141 1.00 0.00 H new ATOM 0 HA ARG A 27 1.342 -20.018 -2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.803 -21.846 -0.278 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.189 -22.216 -1.947 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.917 -20.444 -1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.487 -19.957 -0.352 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.104 -22.300 0.438 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.675 -22.647 -1.182 1.00 0.00 H new ATOM 0 HE ARG A 27 5.878 -20.258 0.065 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.249 -23.710 -0.735 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.966 -23.727 -0.318 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.050 -20.337 0.643 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.975 -21.830 0.455 1.00 0.00 H new ATOM 127 N ILE A 28 -0.441 -21.993 -2.746 1.00 0.00 N ATOM 128 CA ILE A 28 -1.647 -22.830 -2.903 1.00 0.00 C ATOM 129 C ILE A 28 -1.944 -23.615 -1.608 1.00 0.00 C ATOM 130 O ILE A 28 -3.069 -23.597 -1.113 1.00 0.00 O ATOM 131 CB ILE A 28 -1.530 -23.808 -4.139 1.00 0.00 C ATOM 132 CG1 ILE A 28 -2.808 -24.711 -4.282 1.00 0.00 C ATOM 133 CG2 ILE A 28 -0.227 -24.650 -4.096 1.00 0.00 C ATOM 134 CD1 ILE A 28 -2.805 -25.653 -5.484 1.00 0.00 C ATOM 0 H ILE A 28 0.281 -22.178 -3.442 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.483 -22.159 -3.099 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.471 -23.188 -5.033 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.917 -25.305 -3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.684 -24.066 -4.348 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.190 -25.307 -4.965 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.637 -23.985 -4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.211 -25.250 -3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.728 -26.232 -5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.732 -25.071 -6.402 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.953 -26.329 -5.414 1.00 0.00 H new ATOM 146 N ALA A 29 -0.894 -24.227 -1.034 1.00 0.00 N ATOM 147 CA ALA A 29 -0.990 -25.048 0.188 1.00 0.00 C ATOM 148 C ALA A 29 -1.524 -24.232 1.383 1.00 0.00 C ATOM 149 O ALA A 29 -2.324 -24.732 2.170 1.00 0.00 O ATOM 150 CB ALA A 29 0.381 -25.660 0.525 1.00 0.00 C ATOM 0 H ALA A 29 0.053 -24.166 -1.407 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.702 -25.851 -0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.298 -26.264 1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.712 -26.288 -0.302 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.106 -24.862 0.687 1.00 0.00 H new ATOM 156 N ASP A 30 -1.098 -22.954 1.472 1.00 0.00 N ATOM 157 CA ASP A 30 -1.459 -22.061 2.593 1.00 0.00 C ATOM 158 C ASP A 30 -2.966 -21.742 2.601 1.00 0.00 C ATOM 159 O ASP A 30 -3.613 -21.826 3.647 1.00 0.00 O ATOM 160 CB ASP A 30 -0.630 -20.749 2.556 1.00 0.00 C ATOM 161 CG ASP A 30 0.893 -20.963 2.710 1.00 0.00 C ATOM 162 OD1 ASP A 30 1.316 -21.677 3.641 1.00 0.00 O ATOM 163 OD2 ASP A 30 1.667 -20.412 1.909 1.00 0.00 O ATOM 0 H ASP A 30 -0.498 -22.515 0.774 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.222 -22.592 3.515 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.821 -20.237 1.613 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.976 -20.090 3.352 1.00 0.00 H new ATOM 168 N LEU A 31 -3.525 -21.385 1.426 1.00 0.00 N ATOM 169 CA LEU A 31 -4.960 -21.036 1.306 1.00 0.00 C ATOM 170 C LEU A 31 -5.867 -22.291 1.436 1.00 0.00 C ATOM 171 O LEU A 31 -6.985 -22.200 1.972 1.00 0.00 O ATOM 172 CB LEU A 31 -5.222 -20.181 0.019 1.00 0.00 C ATOM 173 CG LEU A 31 -4.749 -20.743 -1.368 1.00 0.00 C ATOM 174 CD1 LEU A 31 -5.710 -21.811 -1.930 1.00 0.00 C ATOM 175 CD2 LEU A 31 -4.533 -19.596 -2.387 1.00 0.00 C ATOM 0 H LEU A 31 -3.008 -21.330 0.548 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.238 -20.399 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.295 -20.001 -0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.745 -19.212 0.163 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.793 -21.238 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.337 -22.167 -2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.773 -22.647 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.700 -21.375 -2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.206 -20.012 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.469 -19.055 -2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.773 -18.912 -2.009 1.00 0.00 H new ATOM 187 N GLU A 32 -5.364 -23.459 0.965 1.00 0.00 N ATOM 188 CA GLU A 32 -6.052 -24.766 1.129 1.00 0.00 C ATOM 189 C GLU A 32 -6.163 -25.143 2.618 1.00 0.00 C ATOM 190 O GLU A 32 -7.231 -25.528 3.102 1.00 0.00 O ATOM 191 CB GLU A 32 -5.291 -25.906 0.388 1.00 0.00 C ATOM 192 CG GLU A 32 -5.238 -25.785 -1.143 1.00 0.00 C ATOM 193 CD GLU A 32 -6.613 -25.835 -1.828 1.00 0.00 C ATOM 194 OE1 GLU A 32 -7.325 -26.854 -1.673 1.00 0.00 O ATOM 195 OE2 GLU A 32 -6.980 -24.877 -2.538 1.00 0.00 O ATOM 0 H GLU A 32 -4.477 -23.523 0.465 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.047 -24.656 0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.270 -25.942 0.767 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.760 -26.856 0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.748 -24.847 -1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.618 -26.590 -1.538 1.00 0.00 H new ATOM 202 N ASN A 33 -5.033 -25.014 3.326 1.00 0.00 N ATOM 203 CA ASN A 33 -4.902 -25.413 4.738 1.00 0.00 C ATOM 204 C ASN A 33 -5.546 -24.382 5.673 1.00 0.00 C ATOM 205 O ASN A 33 -5.945 -24.726 6.793 1.00 0.00 O ATOM 206 CB ASN A 33 -3.407 -25.656 5.093 1.00 0.00 C ATOM 207 CG ASN A 33 -2.822 -26.891 4.386 1.00 0.00 C ATOM 208 OD1 ASN A 33 -3.520 -27.880 4.148 1.00 0.00 O ATOM 209 ND2 ASN A 33 -1.552 -26.832 4.024 1.00 0.00 N ATOM 0 H ASN A 33 -4.175 -24.627 2.933 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.440 -26.350 4.882 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.825 -24.776 4.819 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.309 -25.780 6.172 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.124 -27.618 3.534 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.000 -26.001 4.235 1.00 0.00 H new ATOM 216 N HIS A 34 -5.670 -23.119 5.201 1.00 0.00 N ATOM 217 CA HIS A 34 -6.361 -22.064 5.965 1.00 0.00 C ATOM 218 C HIS A 34 -7.884 -22.313 5.950 1.00 0.00 C ATOM 219 O HIS A 34 -8.585 -21.916 6.882 1.00 0.00 O ATOM 220 CB HIS A 34 -6.027 -20.635 5.454 1.00 0.00 C ATOM 221 CG HIS A 34 -6.476 -19.560 6.416 1.00 0.00 C ATOM 222 ND1 HIS A 34 -7.596 -18.785 6.221 1.00 0.00 N ATOM 223 CD2 HIS A 34 -5.970 -19.181 7.615 1.00 0.00 C ATOM 224 CE1 HIS A 34 -7.761 -17.986 7.258 1.00 0.00 C ATOM 225 NE2 HIS A 34 -6.793 -18.207 8.120 1.00 0.00 N ATOM 0 H HIS A 34 -5.302 -22.811 4.301 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.998 -22.115 6.991 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.952 -20.551 5.295 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.505 -20.477 4.487 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -8.204 -18.822 5.403 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.081 -19.574 8.086 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.559 -17.269 7.379 1.00 0.00 H new ATOM 234 N ASN A 35 -8.383 -22.969 4.876 1.00 0.00 N ATOM 235 CA ASN A 35 -9.800 -23.397 4.774 1.00 0.00 C ATOM 236 C ASN A 35 -10.148 -24.360 5.935 1.00 0.00 C ATOM 237 O ASN A 35 -11.158 -24.175 6.627 1.00 0.00 O ATOM 238 CB ASN A 35 -10.068 -24.063 3.394 1.00 0.00 C ATOM 239 CG ASN A 35 -11.519 -24.528 3.184 1.00 0.00 C ATOM 240 OD1 ASN A 35 -12.457 -23.950 3.719 1.00 0.00 O ATOM 241 ND2 ASN A 35 -11.710 -25.565 2.383 1.00 0.00 N ATOM 0 H ASN A 35 -7.821 -23.215 4.061 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.442 -22.520 4.853 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.808 -23.356 2.606 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.405 -24.921 3.283 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.656 -25.900 2.199 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.911 -26.029 1.950 1.00 0.00 H new ATOM 248 N ASN A 36 -9.266 -25.353 6.149 1.00 0.00 N ATOM 249 CA ASN A 36 -9.399 -26.341 7.245 1.00 0.00 C ATOM 250 C ASN A 36 -9.128 -25.684 8.626 1.00 0.00 C ATOM 251 O ASN A 36 -9.636 -26.142 9.657 1.00 0.00 O ATOM 252 CB ASN A 36 -8.437 -27.533 6.995 1.00 0.00 C ATOM 253 CG ASN A 36 -8.568 -28.656 8.035 1.00 0.00 C ATOM 254 OD1 ASN A 36 -7.846 -28.686 9.033 1.00 0.00 O ATOM 255 ND2 ASN A 36 -9.501 -29.572 7.819 1.00 0.00 N ATOM 0 H ASN A 36 -8.439 -25.497 5.569 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.423 -26.714 7.259 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.629 -27.943 6.003 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.410 -27.167 6.995 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.637 -30.329 8.489 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -10.083 -29.520 6.983 1.00 0.00 H new ATOM 262 N ASP A 37 -8.319 -24.605 8.620 1.00 0.00 N ATOM 263 CA ASP A 37 -7.999 -23.802 9.829 1.00 0.00 C ATOM 264 C ASP A 37 -9.243 -23.042 10.343 1.00 0.00 C ATOM 265 O ASP A 37 -9.366 -22.769 11.541 1.00 0.00 O ATOM 266 CB ASP A 37 -6.861 -22.807 9.495 1.00 0.00 C ATOM 267 CG ASP A 37 -6.496 -21.830 10.633 1.00 0.00 C ATOM 268 OD1 ASP A 37 -5.678 -22.194 11.505 1.00 0.00 O ATOM 269 OD2 ASP A 37 -7.011 -20.684 10.649 1.00 0.00 O ATOM 0 H ASP A 37 -7.865 -24.260 7.774 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.675 -24.477 10.621 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.971 -23.374 9.223 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.150 -22.228 8.618 1.00 0.00 H new ATOM 274 N GLY A 38 -10.144 -22.688 9.409 1.00 0.00 N ATOM 275 CA GLY A 38 -11.385 -21.967 9.728 1.00 0.00 C ATOM 276 C GLY A 38 -11.528 -20.673 8.933 1.00 0.00 C ATOM 277 O GLY A 38 -12.079 -19.679 9.440 1.00 0.00 O ATOM 0 H GLY A 38 -10.031 -22.894 8.416 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.239 -22.612 9.523 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.406 -21.739 10.794 1.00 0.00 H new ATOM 281 N GLY A 39 -11.046 -20.690 7.676 1.00 0.00 N ATOM 282 CA GLY A 39 -11.092 -19.517 6.814 1.00 0.00 C ATOM 283 C GLY A 39 -10.904 -19.861 5.351 1.00 0.00 C ATOM 284 O GLY A 39 -9.769 -20.036 4.898 1.00 0.00 O ATOM 0 H GLY A 39 -10.621 -21.510 7.243 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.049 -19.012 6.945 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.317 -18.815 7.121 1.00 0.00 H new ATOM 288 N PHE A 40 -12.013 -19.931 4.594 1.00 0.00 N ATOM 289 CA PHE A 40 -11.976 -20.335 3.179 1.00 0.00 C ATOM 290 C PHE A 40 -11.437 -19.178 2.333 1.00 0.00 C ATOM 291 O PHE A 40 -12.080 -18.127 2.209 1.00 0.00 O ATOM 292 CB PHE A 40 -13.384 -20.768 2.681 1.00 0.00 C ATOM 293 CG PHE A 40 -13.415 -21.322 1.248 1.00 0.00 C ATOM 294 CD1 PHE A 40 -12.411 -22.172 0.775 1.00 0.00 C ATOM 295 CD2 PHE A 40 -14.448 -20.994 0.370 1.00 0.00 C ATOM 296 CE1 PHE A 40 -12.441 -22.667 -0.515 1.00 0.00 C ATOM 297 CE2 PHE A 40 -14.474 -21.491 -0.921 1.00 0.00 C ATOM 298 CZ PHE A 40 -13.473 -22.325 -1.363 1.00 0.00 C ATOM 0 H PHE A 40 -12.947 -19.712 4.940 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.314 -21.195 3.078 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -13.777 -21.527 3.358 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -14.055 -19.911 2.739 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -11.597 -22.447 1.430 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -15.241 -20.341 0.704 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.655 -23.323 -0.859 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -15.283 -21.223 -1.584 1.00 0.00 H new ATOM 0 HZ PHE A 40 -13.496 -22.711 -2.372 1.00 0.00 H new ATOM 308 N TRP A 41 -10.219 -19.378 1.821 1.00 0.00 N ATOM 309 CA TRP A 41 -9.558 -18.459 0.893 1.00 0.00 C ATOM 310 C TRP A 41 -9.631 -19.026 -0.531 1.00 0.00 C ATOM 311 O TRP A 41 -9.769 -20.246 -0.725 1.00 0.00 O ATOM 312 CB TRP A 41 -8.079 -18.238 1.303 1.00 0.00 C ATOM 313 CG TRP A 41 -7.856 -17.409 2.545 1.00 0.00 C ATOM 314 CD1 TRP A 41 -8.785 -16.729 3.285 1.00 0.00 C ATOM 315 CD2 TRP A 41 -6.592 -17.157 3.166 1.00 0.00 C ATOM 316 NE1 TRP A 41 -8.170 -16.078 4.322 1.00 0.00 N ATOM 317 CE2 TRP A 41 -6.825 -16.321 4.268 1.00 0.00 C ATOM 318 CE3 TRP A 41 -5.284 -17.555 2.889 1.00 0.00 C ATOM 319 CZ2 TRP A 41 -5.797 -15.880 5.097 1.00 0.00 C ATOM 320 CZ3 TRP A 41 -4.264 -17.122 3.708 1.00 0.00 C ATOM 321 CH2 TRP A 41 -4.525 -16.285 4.800 1.00 0.00 C ATOM 0 H TRP A 41 -9.656 -20.198 2.045 1.00 0.00 H new ATOM 0 HA TRP A 41 -10.070 -17.497 0.926 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.614 -19.212 1.452 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -7.559 -17.760 0.472 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.846 -16.709 3.082 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.640 -15.504 5.022 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.074 -18.194 2.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.997 -15.241 5.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.250 -17.432 3.505 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.705 -15.953 5.420 1.00 0.00 H new ATOM 332 N THR A 42 -9.511 -18.129 -1.513 1.00 0.00 N ATOM 333 CA THR A 42 -9.585 -18.469 -2.933 1.00 0.00 C ATOM 334 C THR A 42 -8.682 -17.518 -3.741 1.00 0.00 C ATOM 335 O THR A 42 -8.549 -16.334 -3.397 1.00 0.00 O ATOM 336 CB THR A 42 -11.069 -18.415 -3.443 1.00 0.00 C ATOM 337 OG1 THR A 42 -11.154 -18.956 -4.761 1.00 0.00 O ATOM 338 CG2 THR A 42 -11.667 -16.991 -3.427 1.00 0.00 C ATOM 0 H THR A 42 -9.358 -17.135 -1.341 1.00 0.00 H new ATOM 0 HA THR A 42 -9.229 -19.490 -3.074 1.00 0.00 H new ATOM 0 HB THR A 42 -11.657 -19.015 -2.749 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.080 -19.217 -4.949 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.694 -17.024 -3.791 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.655 -16.603 -2.409 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.075 -16.340 -4.070 1.00 0.00 H new ATOM 346 N VAL A 43 -8.032 -18.047 -4.797 1.00 0.00 N ATOM 347 CA VAL A 43 -7.156 -17.249 -5.677 1.00 0.00 C ATOM 348 C VAL A 43 -7.922 -16.789 -6.933 1.00 0.00 C ATOM 349 O VAL A 43 -8.457 -17.606 -7.686 1.00 0.00 O ATOM 350 CB VAL A 43 -5.832 -18.010 -6.078 1.00 0.00 C ATOM 351 CG1 VAL A 43 -6.096 -19.435 -6.627 1.00 0.00 C ATOM 352 CG2 VAL A 43 -5.006 -17.162 -7.081 1.00 0.00 C ATOM 0 H VAL A 43 -8.098 -19.030 -5.062 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.851 -16.373 -5.105 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.250 -18.143 -5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.148 -19.907 -6.885 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.602 -20.030 -5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.724 -19.372 -7.516 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.096 -17.699 -7.349 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.598 -16.981 -7.978 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.743 -16.209 -6.622 1.00 0.00 H new ATOM 362 N ILE A 44 -7.997 -15.459 -7.106 1.00 0.00 N ATOM 363 CA ILE A 44 -8.607 -14.793 -8.271 1.00 0.00 C ATOM 364 C ILE A 44 -7.684 -13.630 -8.700 1.00 0.00 C ATOM 365 O ILE A 44 -7.308 -12.801 -7.864 1.00 0.00 O ATOM 366 CB ILE A 44 -10.051 -14.245 -7.933 1.00 0.00 C ATOM 367 CG1 ILE A 44 -10.982 -15.410 -7.456 1.00 0.00 C ATOM 368 CG2 ILE A 44 -10.678 -13.481 -9.132 1.00 0.00 C ATOM 369 CD1 ILE A 44 -12.342 -14.989 -6.954 1.00 0.00 C ATOM 0 H ILE A 44 -7.626 -14.799 -6.422 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.716 -15.514 -9.081 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.950 -13.528 -7.118 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.119 -16.105 -8.284 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.474 -15.956 -6.662 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.669 -13.122 -8.856 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.045 -12.633 -9.394 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.760 -14.151 -9.988 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.906 -15.870 -6.649 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.224 -14.320 -6.101 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.879 -14.472 -7.749 1.00 0.00 H new ATOM 381 N ASP A 45 -7.280 -13.631 -9.985 1.00 0.00 N ATOM 382 CA ASP A 45 -6.450 -12.563 -10.606 1.00 0.00 C ATOM 383 C ASP A 45 -5.051 -12.456 -9.925 1.00 0.00 C ATOM 384 O ASP A 45 -4.456 -11.373 -9.834 1.00 0.00 O ATOM 385 CB ASP A 45 -7.226 -11.199 -10.604 1.00 0.00 C ATOM 386 CG ASP A 45 -6.589 -10.126 -11.513 1.00 0.00 C ATOM 387 OD1 ASP A 45 -6.603 -10.306 -12.749 1.00 0.00 O ATOM 388 OD2 ASP A 45 -6.063 -9.108 -11.006 1.00 0.00 O ATOM 0 H ASP A 45 -7.520 -14.380 -10.635 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.261 -12.831 -11.646 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.253 -11.374 -10.926 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.273 -10.818 -9.584 1.00 0.00 H new ATOM 393 N GLY A 46 -4.532 -13.612 -9.465 1.00 0.00 N ATOM 394 CA GLY A 46 -3.219 -13.685 -8.800 1.00 0.00 C ATOM 395 C GLY A 46 -3.210 -13.063 -7.406 1.00 0.00 C ATOM 396 O GLY A 46 -2.151 -12.712 -6.871 1.00 0.00 O ATOM 0 H GLY A 46 -5.007 -14.511 -9.543 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.915 -14.729 -8.726 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.478 -13.181 -9.420 1.00 0.00 H new ATOM 400 N LYS A 47 -4.408 -12.922 -6.826 1.00 0.00 N ATOM 401 CA LYS A 47 -4.613 -12.379 -5.476 1.00 0.00 C ATOM 402 C LYS A 47 -5.412 -13.386 -4.662 1.00 0.00 C ATOM 403 O LYS A 47 -6.283 -14.066 -5.209 1.00 0.00 O ATOM 404 CB LYS A 47 -5.391 -11.042 -5.539 1.00 0.00 C ATOM 405 CG LYS A 47 -4.722 -9.933 -6.369 1.00 0.00 C ATOM 406 CD LYS A 47 -3.425 -9.397 -5.727 1.00 0.00 C ATOM 407 CE LYS A 47 -2.796 -8.272 -6.560 1.00 0.00 C ATOM 408 NZ LYS A 47 -3.737 -7.132 -6.744 1.00 0.00 N ATOM 0 H LYS A 47 -5.278 -13.186 -7.289 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.643 -12.196 -5.013 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.381 -11.235 -5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.535 -10.676 -4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.496 -10.318 -7.364 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.424 -9.109 -6.497 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.642 -9.028 -4.724 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.710 -10.212 -5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.889 -7.920 -6.070 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.501 -8.662 -7.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.215 -6.305 -7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.473 -7.396 -7.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.181 -6.898 -5.833 1.00 0.00 H new ATOM 422 N VAL A 48 -5.125 -13.476 -3.365 1.00 0.00 N ATOM 423 CA VAL A 48 -5.875 -14.349 -2.451 1.00 0.00 C ATOM 424 C VAL A 48 -6.894 -13.495 -1.681 1.00 0.00 C ATOM 425 O VAL A 48 -6.515 -12.530 -1.005 1.00 0.00 O ATOM 426 CB VAL A 48 -4.920 -15.107 -1.460 1.00 0.00 C ATOM 427 CG1 VAL A 48 -5.687 -16.152 -0.608 1.00 0.00 C ATOM 428 CG2 VAL A 48 -3.758 -15.769 -2.229 1.00 0.00 C ATOM 0 H VAL A 48 -4.373 -12.952 -2.916 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.394 -15.111 -3.033 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.506 -14.371 -0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.992 -16.654 0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.458 -15.650 -0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.151 -16.887 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.107 -16.289 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.158 -16.482 -2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.187 -15.004 -2.755 1.00 0.00 H new ATOM 438 N TYR A 49 -8.183 -13.827 -1.845 1.00 0.00 N ATOM 439 CA TYR A 49 -9.301 -13.182 -1.126 1.00 0.00 C ATOM 440 C TYR A 49 -9.933 -14.200 -0.165 1.00 0.00 C ATOM 441 O TYR A 49 -9.679 -15.404 -0.275 1.00 0.00 O ATOM 442 CB TYR A 49 -10.381 -12.686 -2.127 1.00 0.00 C ATOM 443 CG TYR A 49 -9.853 -11.792 -3.260 1.00 0.00 C ATOM 444 CD1 TYR A 49 -9.625 -10.432 -3.061 1.00 0.00 C ATOM 445 CD2 TYR A 49 -9.563 -12.318 -4.521 1.00 0.00 C ATOM 446 CE1 TYR A 49 -9.131 -9.632 -4.074 1.00 0.00 C ATOM 447 CE2 TYR A 49 -9.067 -11.521 -5.528 1.00 0.00 C ATOM 448 CZ TYR A 49 -8.851 -10.183 -5.299 1.00 0.00 C ATOM 449 OH TYR A 49 -8.343 -9.391 -6.307 1.00 0.00 O ATOM 0 H TYR A 49 -8.486 -14.559 -2.487 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.917 -12.326 -0.571 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.872 -13.553 -2.568 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.142 -12.135 -1.574 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.838 -9.995 -2.097 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.731 -13.368 -4.709 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.966 -8.579 -3.902 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.848 -11.946 -6.496 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.199 -9.935 -7.109 1.00 0.00 H new ATOM 459 N ASP A 50 -10.759 -13.715 0.771 1.00 0.00 N ATOM 460 CA ASP A 50 -11.588 -14.582 1.633 1.00 0.00 C ATOM 461 C ASP A 50 -12.987 -14.760 1.014 1.00 0.00 C ATOM 462 O ASP A 50 -13.413 -13.990 0.140 1.00 0.00 O ATOM 463 CB ASP A 50 -11.702 -14.003 3.071 1.00 0.00 C ATOM 464 CG ASP A 50 -12.424 -12.649 3.118 1.00 0.00 C ATOM 465 OD1 ASP A 50 -13.678 -12.630 3.147 1.00 0.00 O ATOM 466 OD2 ASP A 50 -11.741 -11.605 3.124 1.00 0.00 O ATOM 0 H ASP A 50 -10.875 -12.718 0.955 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.103 -15.556 1.703 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.235 -14.715 3.702 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.703 -13.890 3.491 1.00 0.00 H new ATOM 471 N ILE A 51 -13.677 -15.797 1.476 1.00 0.00 N ATOM 472 CA ILE A 51 -15.084 -16.078 1.143 1.00 0.00 C ATOM 473 C ILE A 51 -15.950 -15.982 2.416 1.00 0.00 C ATOM 474 O ILE A 51 -17.126 -15.613 2.349 1.00 0.00 O ATOM 475 CB ILE A 51 -15.211 -17.499 0.471 1.00 0.00 C ATOM 476 CG1 ILE A 51 -14.551 -17.489 -0.943 1.00 0.00 C ATOM 477 CG2 ILE A 51 -16.672 -18.014 0.404 1.00 0.00 C ATOM 478 CD1 ILE A 51 -15.194 -16.529 -1.937 1.00 0.00 C ATOM 0 H ILE A 51 -13.271 -16.487 2.108 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.442 -15.337 0.428 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.675 -18.201 1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -13.498 -17.229 -0.836 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.590 -18.497 -1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -16.690 -18.996 -0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -17.078 -18.090 1.413 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -17.276 -17.319 -0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.671 -16.589 -2.891 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -16.240 -16.799 -2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.131 -15.511 -1.552 1.00 0.00 H new ATOM 490 N LYS A 52 -15.332 -16.297 3.569 1.00 0.00 N ATOM 491 CA LYS A 52 -16.006 -16.328 4.883 1.00 0.00 C ATOM 492 C LYS A 52 -16.670 -14.965 5.250 1.00 0.00 C ATOM 493 O LYS A 52 -17.862 -14.911 5.588 1.00 0.00 O ATOM 494 CB LYS A 52 -14.973 -16.762 5.966 1.00 0.00 C ATOM 495 CG LYS A 52 -13.731 -15.848 6.097 1.00 0.00 C ATOM 496 CD LYS A 52 -12.689 -16.318 7.140 1.00 0.00 C ATOM 497 CE LYS A 52 -13.214 -16.406 8.592 1.00 0.00 C ATOM 498 NZ LYS A 52 -14.045 -17.617 8.854 1.00 0.00 N ATOM 0 H LYS A 52 -14.342 -16.539 3.617 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.820 -17.051 4.835 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.478 -16.802 6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.637 -17.774 5.740 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.245 -15.777 5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.062 -14.844 6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.317 -17.299 6.844 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.840 -15.635 7.117 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.366 -16.402 9.277 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.804 -15.516 8.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.998 -17.326 9.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.114 -18.185 7.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.604 -18.185 9.606 1.00 0.00 H new ATOM 512 N ASP A 53 -15.884 -13.880 5.173 1.00 0.00 N ATOM 513 CA ASP A 53 -16.316 -12.515 5.525 1.00 0.00 C ATOM 514 C ASP A 53 -17.163 -11.910 4.380 1.00 0.00 C ATOM 515 O ASP A 53 -18.066 -11.095 4.614 1.00 0.00 O ATOM 516 CB ASP A 53 -15.058 -11.665 5.830 1.00 0.00 C ATOM 517 CG ASP A 53 -15.369 -10.293 6.432 1.00 0.00 C ATOM 518 OD1 ASP A 53 -15.812 -10.236 7.597 1.00 0.00 O ATOM 519 OD2 ASP A 53 -15.132 -9.264 5.770 1.00 0.00 O ATOM 0 H ASP A 53 -14.914 -13.925 4.860 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.949 -12.531 6.412 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.417 -12.216 6.518 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.492 -11.527 4.909 1.00 0.00 H new ATOM 524 N PHE A 54 -16.829 -12.333 3.141 1.00 0.00 N ATOM 525 CA PHE A 54 -17.548 -11.968 1.901 1.00 0.00 C ATOM 526 C PHE A 54 -19.060 -12.252 2.024 1.00 0.00 C ATOM 527 O PHE A 54 -19.887 -11.333 1.942 1.00 0.00 O ATOM 528 CB PHE A 54 -16.924 -12.756 0.707 1.00 0.00 C ATOM 529 CG PHE A 54 -17.569 -12.523 -0.666 1.00 0.00 C ATOM 530 CD1 PHE A 54 -18.692 -13.253 -1.075 1.00 0.00 C ATOM 531 CD2 PHE A 54 -17.045 -11.588 -1.552 1.00 0.00 C ATOM 532 CE1 PHE A 54 -19.269 -13.043 -2.310 1.00 0.00 C ATOM 533 CE2 PHE A 54 -17.625 -11.384 -2.789 1.00 0.00 C ATOM 534 CZ PHE A 54 -18.732 -12.113 -3.170 1.00 0.00 C ATOM 0 H PHE A 54 -16.035 -12.951 2.972 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.441 -10.898 1.726 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.868 -12.496 0.639 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -16.976 -13.821 0.934 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -19.114 -13.994 -0.412 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -16.174 -11.015 -1.270 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -20.142 -13.608 -2.602 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -17.209 -10.649 -3.462 1.00 0.00 H new ATOM 0 HZ PHE A 54 -19.176 -11.954 -4.141 1.00 0.00 H new ATOM 544 N GLN A 55 -19.392 -13.532 2.244 1.00 0.00 N ATOM 545 CA GLN A 55 -20.786 -14.020 2.274 1.00 0.00 C ATOM 546 C GLN A 55 -21.590 -13.417 3.448 1.00 0.00 C ATOM 547 O GLN A 55 -22.814 -13.260 3.353 1.00 0.00 O ATOM 548 CB GLN A 55 -20.812 -15.570 2.315 1.00 0.00 C ATOM 549 CG GLN A 55 -20.084 -16.198 3.523 1.00 0.00 C ATOM 550 CD GLN A 55 -20.118 -17.732 3.577 1.00 0.00 C ATOM 551 OE1 GLN A 55 -20.081 -18.316 4.660 1.00 0.00 O ATOM 552 NE2 GLN A 55 -20.176 -18.398 2.423 1.00 0.00 N ATOM 0 H GLN A 55 -18.701 -14.264 2.407 1.00 0.00 H new ATOM 0 HA GLN A 55 -21.273 -13.686 1.358 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -21.850 -15.902 2.322 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -20.361 -15.951 1.399 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -19.044 -15.873 3.510 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -20.528 -15.808 4.439 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -20.206 -17.887 1.540 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -20.191 -19.418 2.423 1.00 0.00 H new ATOM 561 N THR A 56 -20.885 -13.079 4.544 1.00 0.00 N ATOM 562 CA THR A 56 -21.477 -12.392 5.708 1.00 0.00 C ATOM 563 C THR A 56 -21.987 -10.989 5.294 1.00 0.00 C ATOM 564 O THR A 56 -23.103 -10.586 5.635 1.00 0.00 O ATOM 565 CB THR A 56 -20.422 -12.262 6.860 1.00 0.00 C ATOM 566 OG1 THR A 56 -19.866 -13.552 7.156 1.00 0.00 O ATOM 567 CG2 THR A 56 -21.017 -11.652 8.147 1.00 0.00 C ATOM 0 H THR A 56 -19.889 -13.274 4.648 1.00 0.00 H new ATOM 0 HA THR A 56 -22.318 -12.983 6.071 1.00 0.00 H new ATOM 0 HB THR A 56 -19.645 -11.584 6.507 1.00 0.00 H new ATOM 0 HG1 THR A 56 -19.207 -13.790 6.470 1.00 0.00 H new ATOM 0 HG21 THR A 56 -20.242 -11.586 8.910 1.00 0.00 H new ATOM 0 HG22 THR A 56 -21.402 -10.655 7.933 1.00 0.00 H new ATOM 0 HG23 THR A 56 -21.828 -12.284 8.508 1.00 0.00 H new ATOM 575 N GLN A 57 -21.148 -10.269 4.527 1.00 0.00 N ATOM 576 CA GLN A 57 -21.468 -8.926 4.009 1.00 0.00 C ATOM 577 C GLN A 57 -22.422 -8.976 2.796 1.00 0.00 C ATOM 578 O GLN A 57 -22.977 -7.949 2.405 1.00 0.00 O ATOM 579 CB GLN A 57 -20.162 -8.178 3.674 1.00 0.00 C ATOM 580 CG GLN A 57 -19.297 -7.904 4.918 1.00 0.00 C ATOM 581 CD GLN A 57 -18.062 -7.070 4.630 1.00 0.00 C ATOM 582 OE1 GLN A 57 -18.107 -5.848 4.658 1.00 0.00 O ATOM 583 NE2 GLN A 57 -16.943 -7.717 4.393 1.00 0.00 N ATOM 0 H GLN A 57 -20.226 -10.604 4.248 1.00 0.00 H new ATOM 0 HA GLN A 57 -22.001 -8.379 4.787 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.586 -8.764 2.958 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -20.404 -7.232 3.190 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -19.903 -7.393 5.666 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -18.989 -8.855 5.352 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -16.937 -8.737 4.376 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -16.080 -7.199 4.226 1.00 0.00 H new ATOM 592 N SER A 58 -22.602 -10.176 2.208 1.00 0.00 N ATOM 593 CA SER A 58 -23.610 -10.404 1.148 1.00 0.00 C ATOM 594 C SER A 58 -25.044 -10.369 1.729 1.00 0.00 C ATOM 595 O SER A 58 -26.020 -10.173 0.990 1.00 0.00 O ATOM 596 CB SER A 58 -23.349 -11.745 0.426 1.00 0.00 C ATOM 597 OG SER A 58 -22.026 -11.806 -0.095 1.00 0.00 O ATOM 0 H SER A 58 -22.061 -11.006 2.449 1.00 0.00 H new ATOM 0 HA SER A 58 -23.520 -9.598 0.420 1.00 0.00 H new ATOM 0 HB2 SER A 58 -23.507 -12.570 1.120 1.00 0.00 H new ATOM 0 HB3 SER A 58 -24.067 -11.869 -0.385 1.00 0.00 H new ATOM 0 HG SER A 58 -21.382 -11.657 0.629 1.00 0.00 H new ATOM 603 N LEU A 59 -25.145 -10.559 3.062 1.00 0.00 N ATOM 604 CA LEU A 59 -26.417 -10.498 3.811 1.00 0.00 C ATOM 605 C LEU A 59 -26.808 -9.037 4.148 1.00 0.00 C ATOM 606 O LEU A 59 -27.892 -8.790 4.683 1.00 0.00 O ATOM 607 CB LEU A 59 -26.298 -11.334 5.119 1.00 0.00 C ATOM 608 CG LEU A 59 -25.833 -12.816 4.949 1.00 0.00 C ATOM 609 CD1 LEU A 59 -25.658 -13.512 6.319 1.00 0.00 C ATOM 610 CD2 LEU A 59 -26.787 -13.609 4.022 1.00 0.00 C ATOM 0 H LEU A 59 -24.338 -10.761 3.653 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.202 -10.916 3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -25.599 -10.830 5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.268 -11.334 5.615 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.856 -12.799 4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -25.334 -14.541 6.165 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -24.909 -12.979 6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.608 -13.507 6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -26.432 -14.635 3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -27.790 -13.610 4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -26.811 -13.141 3.038 1.00 0.00 H new ATOM 622 N THR A 60 -25.913 -8.081 3.838 1.00 0.00 N ATOM 623 CA THR A 60 -26.124 -6.646 4.099 1.00 0.00 C ATOM 624 C THR A 60 -26.772 -5.985 2.871 1.00 0.00 C ATOM 625 O THR A 60 -26.329 -6.219 1.742 1.00 0.00 O ATOM 626 CB THR A 60 -24.757 -5.968 4.433 1.00 0.00 C ATOM 627 OG1 THR A 60 -24.157 -6.632 5.555 1.00 0.00 O ATOM 628 CG2 THR A 60 -24.883 -4.463 4.733 1.00 0.00 C ATOM 0 H THR A 60 -25.017 -8.285 3.396 1.00 0.00 H new ATOM 0 HA THR A 60 -26.792 -6.523 4.952 1.00 0.00 H new ATOM 0 HB THR A 60 -24.130 -6.062 3.546 1.00 0.00 H new ATOM 0 HG1 THR A 60 -23.298 -6.209 5.765 1.00 0.00 H new ATOM 0 HG21 THR A 60 -23.898 -4.053 4.957 1.00 0.00 H new ATOM 0 HG22 THR A 60 -25.300 -3.953 3.865 1.00 0.00 H new ATOM 0 HG23 THR A 60 -25.541 -4.317 5.590 1.00 0.00 H new ATOM 636 N GLU A 61 -27.825 -5.175 3.117 1.00 0.00 N ATOM 637 CA GLU A 61 -28.612 -4.486 2.066 1.00 0.00 C ATOM 638 C GLU A 61 -27.749 -3.488 1.273 1.00 0.00 C ATOM 639 O GLU A 61 -27.740 -3.510 0.035 1.00 0.00 O ATOM 640 CB GLU A 61 -29.834 -3.744 2.696 1.00 0.00 C ATOM 641 CG GLU A 61 -30.726 -2.940 1.714 1.00 0.00 C ATOM 642 CD GLU A 61 -31.344 -3.799 0.595 1.00 0.00 C ATOM 643 OE1 GLU A 61 -32.356 -4.487 0.851 1.00 0.00 O ATOM 644 OE2 GLU A 61 -30.823 -3.795 -0.544 1.00 0.00 O ATOM 0 H GLU A 61 -28.158 -4.978 4.061 1.00 0.00 H new ATOM 0 HA GLU A 61 -28.970 -5.249 1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -30.458 -4.480 3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -29.464 -3.061 3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -31.527 -2.459 2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -30.131 -2.146 1.264 1.00 0.00 H new ATOM 651 N ASN A 62 -27.008 -2.624 1.994 1.00 0.00 N ATOM 652 CA ASN A 62 -26.164 -1.577 1.373 1.00 0.00 C ATOM 653 C ASN A 62 -24.757 -2.143 1.022 1.00 0.00 C ATOM 654 O ASN A 62 -23.719 -1.517 1.272 1.00 0.00 O ATOM 655 CB ASN A 62 -26.071 -0.332 2.313 1.00 0.00 C ATOM 656 CG ASN A 62 -25.423 0.901 1.658 1.00 0.00 C ATOM 657 OD1 ASN A 62 -25.524 1.105 0.444 1.00 0.00 O ATOM 658 ND2 ASN A 62 -24.752 1.725 2.452 1.00 0.00 N ATOM 0 H ASN A 62 -26.975 -2.629 3.013 1.00 0.00 H new ATOM 0 HA ASN A 62 -26.626 -1.256 0.440 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -27.074 -0.067 2.648 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -25.499 -0.602 3.201 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -24.302 2.554 2.064 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -24.686 1.530 3.451 1.00 0.00 H new ATOM 665 N SER A 63 -24.743 -3.339 0.422 1.00 0.00 N ATOM 666 CA SER A 63 -23.541 -3.966 -0.138 1.00 0.00 C ATOM 667 C SER A 63 -23.772 -4.268 -1.624 1.00 0.00 C ATOM 668 O SER A 63 -24.892 -4.600 -2.035 1.00 0.00 O ATOM 669 CB SER A 63 -23.197 -5.268 0.623 1.00 0.00 C ATOM 670 OG SER A 63 -22.833 -4.993 1.966 1.00 0.00 O ATOM 0 H SER A 63 -25.582 -3.908 0.310 1.00 0.00 H new ATOM 0 HA SER A 63 -22.701 -3.279 -0.031 1.00 0.00 H new ATOM 0 HB2 SER A 63 -24.055 -5.940 0.606 1.00 0.00 H new ATOM 0 HB3 SER A 63 -22.379 -5.782 0.119 1.00 0.00 H new ATOM 0 HG SER A 63 -22.314 -5.743 2.324 1.00 0.00 H new ATOM 676 N ILE A 64 -22.702 -4.132 -2.415 1.00 0.00 N ATOM 677 CA ILE A 64 -22.649 -4.586 -3.815 1.00 0.00 C ATOM 678 C ILE A 64 -22.907 -6.112 -3.908 1.00 0.00 C ATOM 679 O ILE A 64 -23.371 -6.617 -4.926 1.00 0.00 O ATOM 680 CB ILE A 64 -21.247 -4.259 -4.458 1.00 0.00 C ATOM 681 CG1 ILE A 64 -20.095 -4.867 -3.586 1.00 0.00 C ATOM 682 CG2 ILE A 64 -21.054 -2.731 -4.663 1.00 0.00 C ATOM 683 CD1 ILE A 64 -18.717 -4.796 -4.199 1.00 0.00 C ATOM 0 H ILE A 64 -21.835 -3.698 -2.099 1.00 0.00 H new ATOM 0 HA ILE A 64 -23.428 -4.055 -4.362 1.00 0.00 H new ATOM 0 HB ILE A 64 -21.211 -4.720 -5.445 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -20.075 -4.349 -2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -20.330 -5.911 -3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -20.077 -2.544 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -21.833 -2.351 -5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -21.117 -2.224 -3.700 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -17.992 -5.242 -3.518 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.710 -5.340 -5.143 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -18.452 -3.754 -4.379 1.00 0.00 H new ATOM 695 N LEU A 65 -22.594 -6.822 -2.808 1.00 0.00 N ATOM 696 CA LEU A 65 -22.722 -8.286 -2.701 1.00 0.00 C ATOM 697 C LEU A 65 -24.187 -8.722 -2.499 1.00 0.00 C ATOM 698 O LEU A 65 -24.499 -9.913 -2.561 1.00 0.00 O ATOM 699 CB LEU A 65 -21.850 -8.788 -1.522 1.00 0.00 C ATOM 700 CG LEU A 65 -20.373 -8.302 -1.498 1.00 0.00 C ATOM 701 CD1 LEU A 65 -19.580 -8.938 -0.335 1.00 0.00 C ATOM 702 CD2 LEU A 65 -19.689 -8.535 -2.858 1.00 0.00 C ATOM 0 H LEU A 65 -22.240 -6.387 -1.956 1.00 0.00 H new ATOM 0 HA LEU A 65 -22.379 -8.728 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.326 -8.481 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -21.851 -9.878 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.383 -7.227 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -18.553 -8.573 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.045 -8.668 0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.582 -10.023 -0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.658 -8.186 -2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -19.701 -9.599 -3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.223 -7.985 -3.633 1.00 0.00 H new ATOM 714 N ALA A 66 -25.075 -7.742 -2.240 1.00 0.00 N ATOM 715 CA ALA A 66 -26.517 -7.987 -2.055 1.00 0.00 C ATOM 716 C ALA A 66 -27.220 -8.274 -3.399 1.00 0.00 C ATOM 717 O ALA A 66 -28.313 -8.853 -3.413 1.00 0.00 O ATOM 718 CB ALA A 66 -27.167 -6.803 -1.332 1.00 0.00 C ATOM 0 H ALA A 66 -24.812 -6.760 -2.153 1.00 0.00 H new ATOM 0 HA ALA A 66 -26.633 -8.877 -1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -28.232 -6.996 -1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -26.700 -6.672 -0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -27.033 -5.897 -1.923 1.00 0.00 H new ATOM 724 N GLN A 67 -26.600 -7.860 -4.528 1.00 0.00 N ATOM 725 CA GLN A 67 -27.078 -8.245 -5.878 1.00 0.00 C ATOM 726 C GLN A 67 -26.652 -9.699 -6.176 1.00 0.00 C ATOM 727 O GLN A 67 -27.331 -10.427 -6.907 1.00 0.00 O ATOM 728 CB GLN A 67 -26.550 -7.267 -6.979 1.00 0.00 C ATOM 729 CG GLN A 67 -25.079 -7.485 -7.420 1.00 0.00 C ATOM 730 CD GLN A 67 -24.533 -6.456 -8.423 1.00 0.00 C ATOM 731 OE1 GLN A 67 -23.701 -6.781 -9.270 1.00 0.00 O ATOM 732 NE2 GLN A 67 -24.967 -5.204 -8.322 1.00 0.00 N ATOM 0 H GLN A 67 -25.773 -7.263 -4.533 1.00 0.00 H new ATOM 0 HA GLN A 67 -28.166 -8.179 -5.894 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -27.191 -7.356 -7.856 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -26.653 -6.246 -6.612 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -24.446 -7.474 -6.533 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -24.993 -8.478 -7.861 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -25.657 -4.959 -7.612 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -24.610 -4.488 -8.955 1.00 0.00 H new ATOM 741 N PHE A 68 -25.515 -10.101 -5.571 1.00 0.00 N ATOM 742 CA PHE A 68 -24.948 -11.456 -5.681 1.00 0.00 C ATOM 743 C PHE A 68 -25.532 -12.396 -4.599 1.00 0.00 C ATOM 744 O PHE A 68 -25.109 -13.555 -4.486 1.00 0.00 O ATOM 745 CB PHE A 68 -23.405 -11.392 -5.536 1.00 0.00 C ATOM 746 CG PHE A 68 -22.667 -10.605 -6.626 1.00 0.00 C ATOM 747 CD1 PHE A 68 -22.708 -11.021 -7.959 1.00 0.00 C ATOM 748 CD2 PHE A 68 -21.926 -9.460 -6.320 1.00 0.00 C ATOM 749 CE1 PHE A 68 -22.020 -10.329 -8.942 1.00 0.00 C ATOM 750 CE2 PHE A 68 -21.241 -8.768 -7.307 1.00 0.00 C ATOM 751 CZ PHE A 68 -21.298 -9.197 -8.619 1.00 0.00 C ATOM 0 H PHE A 68 -24.958 -9.481 -4.983 1.00 0.00 H new ATOM 0 HA PHE A 68 -25.211 -11.856 -6.661 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -23.167 -10.948 -4.569 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -23.017 -12.411 -5.523 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -23.284 -11.894 -8.227 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -21.886 -9.109 -5.299 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -22.048 -10.676 -9.964 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -20.662 -7.893 -7.050 1.00 0.00 H new ATOM 0 HZ PHE A 68 -20.779 -8.648 -9.391 1.00 0.00 H new ATOM 761 N ALA A 69 -26.478 -11.883 -3.784 1.00 0.00 N ATOM 762 CA ALA A 69 -27.153 -12.680 -2.744 1.00 0.00 C ATOM 763 C ALA A 69 -28.043 -13.755 -3.395 1.00 0.00 C ATOM 764 O ALA A 69 -28.881 -13.436 -4.255 1.00 0.00 O ATOM 765 CB ALA A 69 -27.975 -11.773 -1.819 1.00 0.00 C ATOM 0 H ALA A 69 -26.791 -10.913 -3.829 1.00 0.00 H new ATOM 0 HA ALA A 69 -26.397 -13.180 -2.138 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -28.466 -12.379 -1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -27.316 -11.050 -1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -28.728 -11.244 -2.403 1.00 0.00 H new ATOM 771 N GLY A 70 -27.836 -15.022 -2.995 1.00 0.00 N ATOM 772 CA GLY A 70 -28.506 -16.179 -3.608 1.00 0.00 C ATOM 773 C GLY A 70 -27.587 -16.956 -4.552 1.00 0.00 C ATOM 774 O GLY A 70 -27.826 -18.138 -4.836 1.00 0.00 O ATOM 0 H GLY A 70 -27.199 -15.271 -2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -28.863 -16.846 -2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -29.382 -15.837 -4.159 1.00 0.00 H new ATOM 778 N GLU A 71 -26.533 -16.275 -5.035 1.00 0.00 N ATOM 779 CA GLU A 71 -25.504 -16.856 -5.920 1.00 0.00 C ATOM 780 C GLU A 71 -24.358 -17.450 -5.071 1.00 0.00 C ATOM 781 O GLU A 71 -24.194 -17.078 -3.897 1.00 0.00 O ATOM 782 CB GLU A 71 -24.968 -15.756 -6.903 1.00 0.00 C ATOM 783 CG GLU A 71 -24.011 -16.256 -8.009 1.00 0.00 C ATOM 784 CD GLU A 71 -24.664 -17.314 -8.913 1.00 0.00 C ATOM 785 OE1 GLU A 71 -25.482 -16.940 -9.786 1.00 0.00 O ATOM 786 OE2 GLU A 71 -24.406 -18.528 -8.723 1.00 0.00 O ATOM 0 H GLU A 71 -26.368 -15.292 -4.819 1.00 0.00 H new ATOM 0 HA GLU A 71 -25.941 -17.660 -6.512 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.821 -15.272 -7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.453 -14.993 -6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -23.689 -15.411 -8.617 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -23.117 -16.677 -7.549 1.00 0.00 H new ATOM 793 N ASP A 72 -23.590 -18.384 -5.665 1.00 0.00 N ATOM 794 CA ASP A 72 -22.377 -18.950 -5.041 1.00 0.00 C ATOM 795 C ASP A 72 -21.340 -17.824 -4.791 1.00 0.00 C ATOM 796 O ASP A 72 -21.082 -17.028 -5.701 1.00 0.00 O ATOM 797 CB ASP A 72 -21.767 -20.048 -5.951 1.00 0.00 C ATOM 798 CG ASP A 72 -20.495 -20.690 -5.357 1.00 0.00 C ATOM 799 OD1 ASP A 72 -20.616 -21.663 -4.583 1.00 0.00 O ATOM 800 OD2 ASP A 72 -19.376 -20.201 -5.630 1.00 0.00 O ATOM 0 H ASP A 72 -23.792 -18.767 -6.589 1.00 0.00 H new ATOM 0 HA ASP A 72 -22.648 -19.402 -4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -22.512 -20.825 -6.123 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.528 -19.615 -6.922 1.00 0.00 H new ATOM 805 N PRO A 73 -20.731 -17.747 -3.563 1.00 0.00 N ATOM 806 CA PRO A 73 -19.844 -16.617 -3.167 1.00 0.00 C ATOM 807 C PRO A 73 -18.547 -16.514 -4.006 1.00 0.00 C ATOM 808 O PRO A 73 -18.047 -15.408 -4.235 1.00 0.00 O ATOM 809 CB PRO A 73 -19.537 -16.913 -1.676 1.00 0.00 C ATOM 810 CG PRO A 73 -19.709 -18.397 -1.549 1.00 0.00 C ATOM 811 CD PRO A 73 -20.864 -18.737 -2.456 1.00 0.00 C ATOM 0 HA PRO A 73 -20.325 -15.653 -3.335 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.526 -16.606 -1.410 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -20.218 -16.376 -1.016 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.804 -18.926 -1.848 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.920 -18.683 -0.518 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -20.800 -19.762 -2.822 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -21.821 -18.641 -1.943 1.00 0.00 H new ATOM 819 N VAL A 74 -18.014 -17.666 -4.465 1.00 0.00 N ATOM 820 CA VAL A 74 -16.767 -17.703 -5.262 1.00 0.00 C ATOM 821 C VAL A 74 -17.048 -17.195 -6.686 1.00 0.00 C ATOM 822 O VAL A 74 -16.314 -16.354 -7.201 1.00 0.00 O ATOM 823 CB VAL A 74 -16.126 -19.142 -5.309 1.00 0.00 C ATOM 824 CG1 VAL A 74 -14.780 -19.147 -6.086 1.00 0.00 C ATOM 825 CG2 VAL A 74 -15.945 -19.703 -3.878 1.00 0.00 C ATOM 0 H VAL A 74 -18.427 -18.584 -4.298 1.00 0.00 H new ATOM 0 HA VAL A 74 -16.043 -17.050 -4.774 1.00 0.00 H new ATOM 0 HB VAL A 74 -16.812 -19.794 -5.850 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -14.370 -20.157 -6.096 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -14.950 -18.814 -7.110 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -14.075 -18.474 -5.598 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -15.501 -20.697 -3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -15.291 -19.043 -3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -16.916 -19.764 -3.386 1.00 0.00 H new ATOM 835 N VAL A 75 -18.154 -17.691 -7.280 1.00 0.00 N ATOM 836 CA VAL A 75 -18.619 -17.273 -8.628 1.00 0.00 C ATOM 837 C VAL A 75 -18.941 -15.765 -8.644 1.00 0.00 C ATOM 838 O VAL A 75 -18.612 -15.045 -9.598 1.00 0.00 O ATOM 839 CB VAL A 75 -19.890 -18.102 -9.077 1.00 0.00 C ATOM 840 CG1 VAL A 75 -20.414 -17.660 -10.470 1.00 0.00 C ATOM 841 CG2 VAL A 75 -19.584 -19.615 -9.059 1.00 0.00 C ATOM 0 H VAL A 75 -18.752 -18.392 -6.843 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.813 -17.472 -9.335 1.00 0.00 H new ATOM 0 HB VAL A 75 -20.683 -17.897 -8.358 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -21.287 -18.256 -10.736 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -20.691 -16.606 -10.437 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -19.633 -17.807 -11.216 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -20.469 -20.169 -9.371 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -18.763 -19.828 -9.744 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.303 -19.917 -8.050 1.00 0.00 H new ATOM 851 N ALA A 76 -19.565 -15.315 -7.545 1.00 0.00 N ATOM 852 CA ALA A 76 -19.931 -13.906 -7.315 1.00 0.00 C ATOM 853 C ALA A 76 -18.683 -13.013 -7.220 1.00 0.00 C ATOM 854 O ALA A 76 -18.664 -11.898 -7.745 1.00 0.00 O ATOM 855 CB ALA A 76 -20.761 -13.801 -6.028 1.00 0.00 C ATOM 0 H ALA A 76 -19.835 -15.929 -6.777 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.522 -13.557 -8.162 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -21.034 -12.760 -5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -21.665 -14.401 -6.128 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.174 -14.167 -5.186 1.00 0.00 H new ATOM 861 N LEU A 77 -17.646 -13.538 -6.547 1.00 0.00 N ATOM 862 CA LEU A 77 -16.371 -12.834 -6.334 1.00 0.00 C ATOM 863 C LEU A 77 -15.562 -12.746 -7.650 1.00 0.00 C ATOM 864 O LEU A 77 -14.947 -11.721 -7.935 1.00 0.00 O ATOM 865 CB LEU A 77 -15.575 -13.547 -5.208 1.00 0.00 C ATOM 866 CG LEU A 77 -14.216 -12.910 -4.774 1.00 0.00 C ATOM 867 CD1 LEU A 77 -14.365 -11.440 -4.362 1.00 0.00 C ATOM 868 CD2 LEU A 77 -13.562 -13.736 -3.645 1.00 0.00 C ATOM 0 H LEU A 77 -17.669 -14.470 -6.132 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.568 -11.809 -6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.216 -13.606 -4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.380 -14.570 -5.529 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.561 -12.929 -5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.393 -11.044 -4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.753 -10.864 -5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.055 -11.366 -3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.617 -13.275 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.228 -13.765 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.379 -14.751 -3.996 1.00 0.00 H new ATOM 880 N GLU A 78 -15.606 -13.819 -8.464 1.00 0.00 N ATOM 881 CA GLU A 78 -14.948 -13.852 -9.793 1.00 0.00 C ATOM 882 C GLU A 78 -15.591 -12.816 -10.734 1.00 0.00 C ATOM 883 O GLU A 78 -14.892 -12.068 -11.424 1.00 0.00 O ATOM 884 CB GLU A 78 -15.037 -15.275 -10.406 1.00 0.00 C ATOM 885 CG GLU A 78 -14.240 -16.342 -9.637 1.00 0.00 C ATOM 886 CD GLU A 78 -14.400 -17.748 -10.224 1.00 0.00 C ATOM 887 OE1 GLU A 78 -15.332 -18.474 -9.810 1.00 0.00 O ATOM 888 OE2 GLU A 78 -13.611 -18.126 -11.120 1.00 0.00 O ATOM 0 H GLU A 78 -16.093 -14.683 -8.225 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.896 -13.598 -9.667 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.084 -15.577 -10.445 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.677 -15.239 -11.434 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.184 -16.071 -9.640 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.564 -16.350 -8.596 1.00 0.00 H new ATOM 895 N ALA A 79 -16.936 -12.776 -10.716 1.00 0.00 N ATOM 896 CA ALA A 79 -17.740 -11.800 -11.480 1.00 0.00 C ATOM 897 C ALA A 79 -17.463 -10.364 -10.998 1.00 0.00 C ATOM 898 O ALA A 79 -17.469 -9.411 -11.788 1.00 0.00 O ATOM 899 CB ALA A 79 -19.235 -12.140 -11.347 1.00 0.00 C ATOM 0 H ALA A 79 -17.501 -13.424 -10.167 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.456 -11.858 -12.531 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.824 -11.418 -11.912 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -19.417 -13.141 -11.738 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.525 -12.102 -10.297 1.00 0.00 H new ATOM 905 N ALA A 80 -17.196 -10.242 -9.687 1.00 0.00 N ATOM 906 CA ALA A 80 -16.926 -8.961 -9.028 1.00 0.00 C ATOM 907 C ALA A 80 -15.593 -8.347 -9.490 1.00 0.00 C ATOM 908 O ALA A 80 -15.524 -7.148 -9.727 1.00 0.00 O ATOM 909 CB ALA A 80 -16.958 -9.133 -7.507 1.00 0.00 C ATOM 0 H ALA A 80 -17.162 -11.040 -9.052 1.00 0.00 H new ATOM 0 HA ALA A 80 -17.712 -8.263 -9.317 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -16.756 -8.175 -7.028 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.941 -9.491 -7.202 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.199 -9.856 -7.207 1.00 0.00 H new ATOM 915 N LEU A 81 -14.538 -9.174 -9.631 1.00 0.00 N ATOM 916 CA LEU A 81 -13.216 -8.696 -10.117 1.00 0.00 C ATOM 917 C LEU A 81 -13.266 -8.270 -11.606 1.00 0.00 C ATOM 918 O LEU A 81 -12.439 -7.467 -12.056 1.00 0.00 O ATOM 919 CB LEU A 81 -12.088 -9.750 -9.872 1.00 0.00 C ATOM 920 CG LEU A 81 -11.386 -9.717 -8.469 1.00 0.00 C ATOM 921 CD1 LEU A 81 -10.818 -8.317 -8.158 1.00 0.00 C ATOM 922 CD2 LEU A 81 -12.307 -10.213 -7.340 1.00 0.00 C ATOM 0 H LEU A 81 -14.569 -10.171 -9.418 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.971 -7.811 -9.530 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.513 -10.743 -10.017 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.324 -9.615 -10.638 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.549 -10.414 -8.520 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.338 -8.328 -7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.086 -8.044 -8.918 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.628 -7.588 -8.157 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.774 -10.170 -6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.192 -9.579 -7.288 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.608 -11.241 -7.541 1.00 0.00 H new ATOM 934 N GLN A 82 -14.247 -8.809 -12.352 1.00 0.00 N ATOM 935 CA GLN A 82 -14.452 -8.493 -13.785 1.00 0.00 C ATOM 936 C GLN A 82 -15.254 -7.184 -13.983 1.00 0.00 C ATOM 937 O GLN A 82 -15.355 -6.683 -15.112 1.00 0.00 O ATOM 938 CB GLN A 82 -15.166 -9.679 -14.484 1.00 0.00 C ATOM 939 CG GLN A 82 -14.346 -10.984 -14.496 1.00 0.00 C ATOM 940 CD GLN A 82 -15.109 -12.170 -15.083 1.00 0.00 C ATOM 941 OE1 GLN A 82 -15.058 -12.429 -16.283 1.00 0.00 O ATOM 942 NE2 GLN A 82 -15.824 -12.894 -14.239 1.00 0.00 N ATOM 0 H GLN A 82 -14.923 -9.477 -11.982 1.00 0.00 H new ATOM 0 HA GLN A 82 -13.473 -8.339 -14.238 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -16.117 -9.864 -13.984 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.396 -9.397 -15.511 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -13.434 -10.827 -15.071 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -14.043 -11.224 -13.477 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -15.844 -12.651 -13.249 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -16.356 -13.696 -14.578 1.00 0.00 H new ATOM 951 N PHE A 83 -15.817 -6.626 -12.889 1.00 0.00 N ATOM 952 CA PHE A 83 -16.583 -5.362 -12.928 1.00 0.00 C ATOM 953 C PHE A 83 -15.998 -4.364 -11.900 1.00 0.00 C ATOM 954 O PHE A 83 -15.909 -4.669 -10.713 1.00 0.00 O ATOM 955 CB PHE A 83 -18.081 -5.650 -12.657 1.00 0.00 C ATOM 956 CG PHE A 83 -19.017 -4.444 -12.782 1.00 0.00 C ATOM 957 CD1 PHE A 83 -18.983 -3.623 -13.910 1.00 0.00 C ATOM 958 CD2 PHE A 83 -19.953 -4.153 -11.787 1.00 0.00 C ATOM 959 CE1 PHE A 83 -19.847 -2.550 -14.037 1.00 0.00 C ATOM 960 CE2 PHE A 83 -20.814 -3.078 -11.915 1.00 0.00 C ATOM 961 CZ PHE A 83 -20.761 -2.277 -13.040 1.00 0.00 C ATOM 0 H PHE A 83 -15.753 -7.038 -11.958 1.00 0.00 H new ATOM 0 HA PHE A 83 -16.502 -4.910 -13.916 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.416 -6.421 -13.350 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -18.178 -6.061 -11.652 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -18.271 -3.828 -14.696 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -20.005 -4.776 -10.906 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -19.806 -1.926 -14.917 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -21.529 -2.864 -11.134 1.00 0.00 H new ATOM 0 HZ PHE A 83 -21.434 -1.438 -13.139 1.00 0.00 H new ATOM 971 N GLU A 84 -15.633 -3.165 -12.385 1.00 0.00 N ATOM 972 CA GLU A 84 -14.855 -2.155 -11.626 1.00 0.00 C ATOM 973 C GLU A 84 -15.525 -1.711 -10.306 1.00 0.00 C ATOM 974 O GLU A 84 -14.849 -1.569 -9.283 1.00 0.00 O ATOM 975 CB GLU A 84 -14.569 -0.939 -12.536 1.00 0.00 C ATOM 976 CG GLU A 84 -15.827 -0.290 -13.149 1.00 0.00 C ATOM 977 CD GLU A 84 -15.506 0.806 -14.166 1.00 0.00 C ATOM 978 OE1 GLU A 84 -15.121 0.465 -15.309 1.00 0.00 O ATOM 979 OE2 GLU A 84 -15.635 2.007 -13.842 1.00 0.00 O ATOM 0 H GLU A 84 -15.871 -2.860 -13.329 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.921 -2.631 -11.328 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.032 -0.187 -11.958 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.907 -1.253 -13.343 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.426 -1.061 -13.633 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -16.436 0.132 -12.350 1.00 0.00 H new ATOM 986 N ASP A 85 -16.847 -1.501 -10.345 1.00 0.00 N ATOM 987 CA ASP A 85 -17.642 -1.077 -9.168 1.00 0.00 C ATOM 988 C ASP A 85 -17.574 -2.117 -8.048 1.00 0.00 C ATOM 989 O ASP A 85 -17.546 -1.777 -6.857 1.00 0.00 O ATOM 990 CB ASP A 85 -19.120 -0.845 -9.570 1.00 0.00 C ATOM 991 CG ASP A 85 -19.314 0.341 -10.530 1.00 0.00 C ATOM 992 OD1 ASP A 85 -18.839 0.275 -11.686 1.00 0.00 O ATOM 993 OD2 ASP A 85 -19.948 1.344 -10.142 1.00 0.00 O ATOM 0 H ASP A 85 -17.404 -1.618 -11.192 1.00 0.00 H new ATOM 0 HA ASP A 85 -17.215 -0.144 -8.800 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -19.507 -1.749 -10.039 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -19.711 -0.675 -8.670 1.00 0.00 H new ATOM 998 N THR A 86 -17.537 -3.390 -8.453 1.00 0.00 N ATOM 999 CA THR A 86 -17.578 -4.525 -7.535 1.00 0.00 C ATOM 1000 C THR A 86 -16.173 -5.107 -7.234 1.00 0.00 C ATOM 1001 O THR A 86 -16.054 -5.978 -6.370 1.00 0.00 O ATOM 1002 CB THR A 86 -18.538 -5.630 -8.093 1.00 0.00 C ATOM 1003 OG1 THR A 86 -18.196 -5.943 -9.449 1.00 0.00 O ATOM 1004 CG2 THR A 86 -20.018 -5.198 -8.045 1.00 0.00 C ATOM 0 H THR A 86 -17.477 -3.660 -9.435 1.00 0.00 H new ATOM 0 HA THR A 86 -17.965 -4.160 -6.584 1.00 0.00 H new ATOM 0 HB THR A 86 -18.415 -6.505 -7.455 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.266 -6.248 -9.490 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.643 -5.997 -8.442 1.00 0.00 H new ATOM 0 HG22 THR A 86 -20.304 -4.992 -7.013 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.154 -4.298 -8.645 1.00 0.00 H new ATOM 1012 N ARG A 87 -15.106 -4.616 -7.917 1.00 0.00 N ATOM 1013 CA ARG A 87 -13.725 -5.145 -7.717 1.00 0.00 C ATOM 1014 C ARG A 87 -13.004 -4.358 -6.612 1.00 0.00 C ATOM 1015 O ARG A 87 -12.082 -4.863 -5.970 1.00 0.00 O ATOM 1016 CB ARG A 87 -12.878 -5.102 -9.033 1.00 0.00 C ATOM 1017 CG ARG A 87 -12.286 -3.722 -9.380 1.00 0.00 C ATOM 1018 CD ARG A 87 -11.346 -3.731 -10.593 1.00 0.00 C ATOM 1019 NE ARG A 87 -10.714 -2.412 -10.781 1.00 0.00 N ATOM 1020 CZ ARG A 87 -10.681 -1.711 -11.922 1.00 0.00 C ATOM 1021 NH1 ARG A 87 -11.283 -2.163 -13.017 1.00 0.00 N ATOM 1022 NH2 ARG A 87 -10.079 -0.533 -11.948 1.00 0.00 N ATOM 0 H ARG A 87 -15.170 -3.864 -8.603 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.824 -6.189 -7.419 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.062 -5.819 -8.946 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.505 -5.431 -9.862 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.103 -3.026 -9.572 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -11.742 -3.344 -8.515 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.577 -4.491 -10.456 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -11.905 -4.002 -11.489 1.00 0.00 H new ATOM 0 HE ARG A 87 -10.261 -1.995 -9.968 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.778 -3.054 -12.996 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.250 -1.619 -13.879 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.644 -0.164 -11.103 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.050 0.006 -12.813 1.00 0.00 H new ATOM 1036 N GLU A 88 -13.434 -3.103 -6.414 1.00 0.00 N ATOM 1037 CA GLU A 88 -12.757 -2.148 -5.522 1.00 0.00 C ATOM 1038 C GLU A 88 -13.017 -2.434 -4.038 1.00 0.00 C ATOM 1039 O GLU A 88 -12.202 -2.081 -3.181 1.00 0.00 O ATOM 1040 CB GLU A 88 -13.162 -0.721 -5.918 1.00 0.00 C ATOM 1041 CG GLU A 88 -12.643 -0.301 -7.304 1.00 0.00 C ATOM 1042 CD GLU A 88 -11.109 -0.277 -7.380 1.00 0.00 C ATOM 1043 OE1 GLU A 88 -10.488 0.646 -6.811 1.00 0.00 O ATOM 1044 OE2 GLU A 88 -10.507 -1.184 -8.000 1.00 0.00 O ATOM 0 H GLU A 88 -14.263 -2.720 -6.869 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.680 -2.261 -5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.249 -0.643 -5.907 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.785 -0.023 -5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.029 -0.989 -8.056 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -13.030 0.688 -7.548 1.00 0.00 H new ATOM 1051 N SER A 89 -14.143 -3.097 -3.746 1.00 0.00 N ATOM 1052 CA SER A 89 -14.439 -3.591 -2.391 1.00 0.00 C ATOM 1053 C SER A 89 -13.527 -4.790 -2.051 1.00 0.00 C ATOM 1054 O SER A 89 -13.250 -5.053 -0.886 1.00 0.00 O ATOM 1055 CB SER A 89 -15.922 -3.993 -2.290 1.00 0.00 C ATOM 1056 OG SER A 89 -16.292 -4.364 -0.972 1.00 0.00 O ATOM 0 H SER A 89 -14.868 -3.306 -4.432 1.00 0.00 H new ATOM 0 HA SER A 89 -14.245 -2.795 -1.672 1.00 0.00 H new ATOM 0 HB2 SER A 89 -16.545 -3.161 -2.619 1.00 0.00 H new ATOM 0 HB3 SER A 89 -16.117 -4.824 -2.967 1.00 0.00 H new ATOM 0 HG SER A 89 -17.241 -4.610 -0.955 1.00 0.00 H new ATOM 1062 N MET A 90 -13.030 -5.486 -3.102 1.00 0.00 N ATOM 1063 CA MET A 90 -12.157 -6.679 -2.950 1.00 0.00 C ATOM 1064 C MET A 90 -10.728 -6.288 -2.551 1.00 0.00 C ATOM 1065 O MET A 90 -9.917 -7.143 -2.198 1.00 0.00 O ATOM 1066 CB MET A 90 -12.174 -7.529 -4.243 1.00 0.00 C ATOM 1067 CG MET A 90 -13.596 -7.815 -4.722 1.00 0.00 C ATOM 1068 SD MET A 90 -14.648 -8.340 -3.354 1.00 0.00 S ATOM 1069 CE MET A 90 -16.271 -8.232 -4.075 1.00 0.00 C ATOM 0 H MET A 90 -13.220 -5.240 -4.073 1.00 0.00 H new ATOM 0 HA MET A 90 -12.556 -7.288 -2.138 1.00 0.00 H new ATOM 0 HB2 MET A 90 -11.626 -7.007 -5.027 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.655 -8.471 -4.064 1.00 0.00 H new ATOM 0 HG2 MET A 90 -14.014 -6.921 -5.184 1.00 0.00 H new ATOM 0 HG3 MET A 90 -13.576 -8.590 -5.488 1.00 0.00 H new ATOM 0 HE1 MET A 90 -17.005 -8.645 -3.383 1.00 0.00 H new ATOM 0 HE2 MET A 90 -16.511 -7.188 -4.277 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.293 -8.797 -5.007 1.00 0.00 H new ATOM 1079 N HIS A 91 -10.449 -4.975 -2.588 1.00 0.00 N ATOM 1080 CA HIS A 91 -9.218 -4.385 -2.026 1.00 0.00 C ATOM 1081 C HIS A 91 -9.245 -4.445 -0.479 1.00 0.00 C ATOM 1082 O HIS A 91 -8.215 -4.269 0.176 1.00 0.00 O ATOM 1083 CB HIS A 91 -9.038 -2.924 -2.528 1.00 0.00 C ATOM 1084 CG HIS A 91 -8.766 -2.793 -4.010 1.00 0.00 C ATOM 1085 ND1 HIS A 91 -7.755 -2.012 -4.529 1.00 0.00 N ATOM 1086 CD2 HIS A 91 -9.407 -3.317 -5.080 1.00 0.00 C ATOM 1087 CE1 HIS A 91 -7.797 -2.061 -5.844 1.00 0.00 C ATOM 1088 NE2 HIS A 91 -8.792 -2.844 -6.208 1.00 0.00 N ATOM 0 H HIS A 91 -11.073 -4.287 -3.010 1.00 0.00 H new ATOM 0 HA HIS A 91 -8.363 -4.967 -2.370 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.938 -2.358 -2.286 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -8.216 -2.465 -1.980 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -10.253 -3.988 -5.050 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -7.126 -1.544 -6.514 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.059 -3.061 -7.168 1.00 0.00 H new ATOM 1097 N ALA A 92 -10.447 -4.665 0.085 1.00 0.00 N ATOM 1098 CA ALA A 92 -10.645 -4.946 1.519 1.00 0.00 C ATOM 1099 C ALA A 92 -10.548 -6.462 1.801 1.00 0.00 C ATOM 1100 O ALA A 92 -10.006 -6.873 2.830 1.00 0.00 O ATOM 1101 CB ALA A 92 -12.010 -4.403 1.969 1.00 0.00 C ATOM 0 H ALA A 92 -11.317 -4.653 -0.448 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.858 -4.448 2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -12.153 -4.612 3.029 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -12.046 -3.326 1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.801 -4.885 1.394 1.00 0.00 H new ATOM 1107 N PHE A 93 -11.071 -7.289 0.866 1.00 0.00 N ATOM 1108 CA PHE A 93 -11.135 -8.767 1.022 1.00 0.00 C ATOM 1109 C PHE A 93 -9.789 -9.449 0.683 1.00 0.00 C ATOM 1110 O PHE A 93 -9.602 -10.632 0.991 1.00 0.00 O ATOM 1111 CB PHE A 93 -12.268 -9.363 0.139 1.00 0.00 C ATOM 1112 CG PHE A 93 -13.675 -8.908 0.543 1.00 0.00 C ATOM 1113 CD1 PHE A 93 -14.347 -9.518 1.596 1.00 0.00 C ATOM 1114 CD2 PHE A 93 -14.318 -7.866 -0.120 1.00 0.00 C ATOM 1115 CE1 PHE A 93 -15.607 -9.095 1.972 1.00 0.00 C ATOM 1116 CE2 PHE A 93 -15.581 -7.448 0.255 1.00 0.00 C ATOM 1117 CZ PHE A 93 -16.225 -8.063 1.300 1.00 0.00 C ATOM 0 H PHE A 93 -11.460 -6.955 -0.016 1.00 0.00 H new ATOM 0 HA PHE A 93 -11.352 -8.966 2.071 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -12.091 -9.084 -0.900 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -12.220 -10.451 0.189 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -13.878 -10.333 2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -13.820 -7.375 -0.943 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -16.111 -9.576 2.797 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -16.061 -6.638 -0.274 1.00 0.00 H new ATOM 0 HZ PHE A 93 -17.212 -7.739 1.594 1.00 0.00 H new ATOM 1127 N CYS A 94 -8.869 -8.709 0.031 1.00 0.00 N ATOM 1128 CA CYS A 94 -7.546 -9.235 -0.347 1.00 0.00 C ATOM 1129 C CYS A 94 -6.674 -9.458 0.901 1.00 0.00 C ATOM 1130 O CYS A 94 -6.156 -8.507 1.491 1.00 0.00 O ATOM 1131 CB CYS A 94 -6.856 -8.291 -1.361 1.00 0.00 C ATOM 1132 SG CYS A 94 -6.578 -6.607 -0.768 1.00 0.00 S ATOM 0 H CYS A 94 -9.022 -7.739 -0.245 1.00 0.00 H new ATOM 0 HA CYS A 94 -7.681 -10.202 -0.832 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.896 -8.724 -1.643 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -7.464 -8.246 -2.265 1.00 0.00 H new ATOM 0 HG CYS A 94 -6.286 -6.636 0.498 1.00 0.00 H new ATOM 1138 N VAL A 95 -6.562 -10.731 1.316 1.00 0.00 N ATOM 1139 CA VAL A 95 -5.745 -11.137 2.475 1.00 0.00 C ATOM 1140 C VAL A 95 -4.240 -11.173 2.114 1.00 0.00 C ATOM 1141 O VAL A 95 -3.378 -11.228 3.000 1.00 0.00 O ATOM 1142 CB VAL A 95 -6.201 -12.536 3.026 1.00 0.00 C ATOM 1143 CG1 VAL A 95 -7.697 -12.521 3.439 1.00 0.00 C ATOM 1144 CG2 VAL A 95 -5.916 -13.657 2.002 1.00 0.00 C ATOM 0 H VAL A 95 -7.036 -11.509 0.858 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.895 -10.391 3.256 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.615 -12.745 3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.980 -13.504 3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.852 -11.775 4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.311 -12.274 2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.242 -14.614 2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.458 -13.453 1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.847 -13.696 1.794 1.00 0.00 H new ATOM 1154 N GLY A 96 -3.948 -11.155 0.799 1.00 0.00 N ATOM 1155 CA GLY A 96 -2.581 -11.107 0.289 1.00 0.00 C ATOM 1156 C GLY A 96 -2.527 -11.369 -1.208 1.00 0.00 C ATOM 1157 O GLY A 96 -3.569 -11.419 -1.876 1.00 0.00 O ATOM 0 H GLY A 96 -4.659 -11.174 0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.147 -10.130 0.503 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.973 -11.847 0.810 1.00 0.00 H new ATOM 1161 N GLN A 97 -1.307 -11.507 -1.736 1.00 0.00 N ATOM 1162 CA GLN A 97 -1.064 -11.875 -3.141 1.00 0.00 C ATOM 1163 C GLN A 97 -0.751 -13.374 -3.208 1.00 0.00 C ATOM 1164 O GLN A 97 -0.217 -13.935 -2.252 1.00 0.00 O ATOM 1165 CB GLN A 97 0.115 -11.054 -3.721 1.00 0.00 C ATOM 1166 CG GLN A 97 0.386 -11.272 -5.223 1.00 0.00 C ATOM 1167 CD GLN A 97 1.579 -10.473 -5.750 1.00 0.00 C ATOM 1168 OE1 GLN A 97 1.435 -9.331 -6.183 1.00 0.00 O ATOM 1169 NE2 GLN A 97 2.754 -11.076 -5.744 1.00 0.00 N ATOM 0 H GLN A 97 -0.451 -11.366 -1.199 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.951 -11.655 -3.735 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -0.082 -9.995 -3.553 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.019 -11.302 -3.165 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.562 -12.333 -5.402 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.504 -10.996 -5.788 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.839 -12.024 -5.377 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.577 -10.594 -6.106 1.00 0.00 H new ATOM 1178 N TYR A 98 -1.090 -14.009 -4.328 1.00 0.00 N ATOM 1179 CA TYR A 98 -0.812 -15.432 -4.554 1.00 0.00 C ATOM 1180 C TYR A 98 0.600 -15.621 -5.129 1.00 0.00 C ATOM 1181 O TYR A 98 1.140 -14.728 -5.790 1.00 0.00 O ATOM 1182 CB TYR A 98 -1.880 -16.011 -5.505 1.00 0.00 C ATOM 1183 CG TYR A 98 -1.751 -17.510 -5.800 1.00 0.00 C ATOM 1184 CD1 TYR A 98 -1.893 -18.456 -4.784 1.00 0.00 C ATOM 1185 CD2 TYR A 98 -1.502 -17.977 -7.094 1.00 0.00 C ATOM 1186 CE1 TYR A 98 -1.791 -19.808 -5.049 1.00 0.00 C ATOM 1187 CE2 TYR A 98 -1.408 -19.326 -7.358 1.00 0.00 C ATOM 1188 CZ TYR A 98 -1.548 -20.237 -6.337 1.00 0.00 C ATOM 1189 OH TYR A 98 -1.449 -21.585 -6.609 1.00 0.00 O ATOM 0 H TYR A 98 -1.566 -13.554 -5.107 1.00 0.00 H new ATOM 0 HA TYR A 98 -0.854 -15.967 -3.605 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.864 -15.825 -5.075 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.836 -15.467 -6.448 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.086 -18.126 -3.774 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.381 -17.269 -7.900 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.901 -20.527 -4.250 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.225 -19.668 -8.366 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.277 -21.714 -7.565 1.00 0.00 H new ATOM 1199 N LEU A 99 1.187 -16.790 -4.850 1.00 0.00 N ATOM 1200 CA LEU A 99 2.457 -17.223 -5.424 1.00 0.00 C ATOM 1201 C LEU A 99 2.412 -18.751 -5.593 1.00 0.00 C ATOM 1202 O LEU A 99 2.189 -19.484 -4.625 1.00 0.00 O ATOM 1203 CB LEU A 99 3.637 -16.751 -4.510 1.00 0.00 C ATOM 1204 CG LEU A 99 5.112 -16.979 -5.009 1.00 0.00 C ATOM 1205 CD1 LEU A 99 5.654 -18.387 -4.673 1.00 0.00 C ATOM 1206 CD2 LEU A 99 5.269 -16.655 -6.518 1.00 0.00 C ATOM 0 H LEU A 99 0.782 -17.471 -4.207 1.00 0.00 H new ATOM 0 HA LEU A 99 2.622 -16.776 -6.404 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.510 -15.684 -4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.532 -17.252 -3.548 1.00 0.00 H new ATOM 0 HG LEU A 99 5.728 -16.272 -4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.675 -18.482 -5.043 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.645 -18.532 -3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.025 -19.141 -5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.302 -16.826 -6.821 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.609 -17.299 -7.099 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.006 -15.612 -6.695 1.00 0.00 H new ATOM 1218 N GLU A 100 2.586 -19.222 -6.838 1.00 0.00 N ATOM 1219 CA GLU A 100 2.709 -20.650 -7.147 1.00 0.00 C ATOM 1220 C GLU A 100 4.073 -21.173 -6.648 1.00 0.00 C ATOM 1221 O GLU A 100 5.100 -20.553 -6.949 1.00 0.00 O ATOM 1222 CB GLU A 100 2.596 -20.870 -8.673 1.00 0.00 C ATOM 1223 CG GLU A 100 1.239 -20.481 -9.275 1.00 0.00 C ATOM 1224 CD GLU A 100 1.233 -20.522 -10.810 1.00 0.00 C ATOM 1225 OE1 GLU A 100 1.003 -21.607 -11.387 1.00 0.00 O ATOM 1226 OE2 GLU A 100 1.472 -19.470 -11.444 1.00 0.00 O ATOM 0 H GLU A 100 2.645 -18.619 -7.659 1.00 0.00 H new ATOM 0 HA GLU A 100 1.907 -21.194 -6.647 1.00 0.00 H new ATOM 0 HB2 GLU A 100 3.377 -20.294 -9.169 1.00 0.00 H new ATOM 0 HB3 GLU A 100 2.788 -21.921 -8.891 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.472 -21.156 -8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.974 -19.478 -8.942 1.00 0.00 H new ATOM 1233 N PRO A 101 4.106 -22.300 -5.865 1.00 0.00 N ATOM 1234 CA PRO A 101 5.375 -22.925 -5.403 1.00 0.00 C ATOM 1235 C PRO A 101 6.362 -23.219 -6.576 1.00 0.00 C ATOM 1236 O PRO A 101 7.581 -23.135 -6.403 1.00 0.00 O ATOM 1237 CB PRO A 101 4.907 -24.229 -4.688 1.00 0.00 C ATOM 1238 CG PRO A 101 3.473 -24.410 -5.092 1.00 0.00 C ATOM 1239 CD PRO A 101 2.932 -23.024 -5.327 1.00 0.00 C ATOM 0 HA PRO A 101 5.942 -22.266 -4.746 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.512 -25.083 -4.992 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.002 -24.140 -3.606 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.395 -25.018 -5.993 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.909 -24.922 -4.312 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.101 -23.028 -6.033 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.565 -22.571 -4.406 1.00 0.00 H new ATOM 1247 N ASP A 102 5.804 -23.534 -7.770 1.00 0.00 N ATOM 1248 CA ASP A 102 6.591 -23.784 -9.006 1.00 0.00 C ATOM 1249 C ASP A 102 7.096 -22.468 -9.632 1.00 0.00 C ATOM 1250 O ASP A 102 8.179 -22.439 -10.232 1.00 0.00 O ATOM 1251 CB ASP A 102 5.748 -24.578 -10.036 1.00 0.00 C ATOM 1252 CG ASP A 102 6.512 -24.898 -11.343 1.00 0.00 C ATOM 1253 OD1 ASP A 102 7.325 -25.851 -11.350 1.00 0.00 O ATOM 1254 OD2 ASP A 102 6.310 -24.192 -12.358 1.00 0.00 O ATOM 0 H ASP A 102 4.797 -23.622 -7.905 1.00 0.00 H new ATOM 0 HA ASP A 102 7.461 -24.378 -8.727 1.00 0.00 H new ATOM 0 HB2 ASP A 102 5.417 -25.511 -9.580 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.852 -24.006 -10.279 1.00 0.00 H new ATOM 1259 N GLN A 103 6.302 -21.382 -9.483 1.00 0.00 N ATOM 1260 CA GLN A 103 6.665 -20.046 -10.003 1.00 0.00 C ATOM 1261 C GLN A 103 7.935 -19.529 -9.304 1.00 0.00 C ATOM 1262 O GLN A 103 8.734 -18.792 -9.899 1.00 0.00 O ATOM 1263 CB GLN A 103 5.492 -19.046 -9.835 1.00 0.00 C ATOM 1264 CG GLN A 103 5.727 -17.645 -10.440 1.00 0.00 C ATOM 1265 CD GLN A 103 6.116 -17.657 -11.929 1.00 0.00 C ATOM 1266 OE1 GLN A 103 5.716 -18.539 -12.689 1.00 0.00 O ATOM 1267 NE2 GLN A 103 6.900 -16.678 -12.355 1.00 0.00 N ATOM 0 H GLN A 103 5.402 -21.407 -9.004 1.00 0.00 H new ATOM 0 HA GLN A 103 6.871 -20.136 -11.069 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.601 -19.476 -10.292 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.282 -18.934 -8.771 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.820 -17.052 -10.318 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.513 -17.145 -9.875 1.00 0.00 H new ATOM 0 HE21 GLN A 103 7.218 -15.959 -11.705 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.186 -16.643 -13.333 1.00 0.00 H new