USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 622 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 47 SER OG : rot 41:sc= 0.721! USER MOD Set 1.2: A 48 CYS SG : rot 180:sc= -0.863 USER MOD Set 2.1: A 13 SER OG : rot 160:sc= -0.022 USER MOD Set 2.2: A 54 TYR OH : rot -2:sc= 0.0416 USER MOD Set 2.3: A 83 HIS : no HD1:sc= 0 X(o=0.02,f=0.019) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -80:sc= 0.168 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -140:sc= -1.91 USER MOD Single : A 26 SER OG : rot 180:sc= 0.191 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 35 LYS NZ :NH3+ -145:sc=-0.00352 (180deg=-1.01) USER MOD Single : A 36 CYS SG : rot 1:sc= 1.03 USER MOD Single : A 37 LYS NZ :NH3+ -110:sc= -1.55 (180deg=-4.3!) USER MOD Single : A 44 SER OG : rot 180:sc= -0.072 USER MOD Single : A 49 MET CE :methyl 168:sc= -2.63 (180deg=-3.41!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0789 K(o=-0.079,f=-1.8!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= -0.0177 USER MOD Single : A 80 CYS SG : rot -89:sc= 0.369 USER MOD Single : A 87 HIS : no HD1:sc= -0.569 X(o=-0.57,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 0.660 -9.028 9.936 1.00 0.00 N ATOM 60 CA GLY A 7 0.681 -8.017 8.892 1.00 0.00 C ATOM 61 C GLY A 7 1.110 -6.659 9.451 1.00 0.00 C ATOM 62 O GLY A 7 1.621 -6.577 10.567 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.366 -8.321 8.100 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.308 -7.933 8.443 1.00 0.00 H new ATOM 66 N VAL A 8 0.886 -5.628 8.650 1.00 0.00 N ATOM 67 CA VAL A 8 1.243 -4.278 9.052 1.00 0.00 C ATOM 68 C VAL A 8 0.122 -3.317 8.649 1.00 0.00 C ATOM 69 O VAL A 8 -0.304 -3.304 7.495 1.00 0.00 O ATOM 70 CB VAL A 8 2.600 -3.896 8.456 1.00 0.00 C ATOM 71 CG1 VAL A 8 3.725 -4.116 9.470 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.868 -4.669 7.163 1.00 0.00 C ATOM 0 H VAL A 8 0.462 -5.700 7.725 1.00 0.00 H new ATOM 0 HA VAL A 8 1.350 -4.218 10.135 1.00 0.00 H new ATOM 0 HB VAL A 8 2.572 -2.834 8.211 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.679 -3.837 9.022 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.545 -3.501 10.352 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.754 -5.166 9.759 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.838 -4.379 6.760 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.867 -5.739 7.372 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.090 -4.441 6.435 1.00 0.00 H new ATOM 82 N MET A 9 -0.324 -2.537 9.622 1.00 0.00 N ATOM 83 CA MET A 9 -1.387 -1.576 9.384 1.00 0.00 C ATOM 84 C MET A 9 -0.828 -0.271 8.814 1.00 0.00 C ATOM 85 O MET A 9 -0.137 0.470 9.511 1.00 0.00 O ATOM 86 CB MET A 9 -2.119 -1.288 10.696 1.00 0.00 C ATOM 87 CG MET A 9 -3.207 -2.332 10.958 1.00 0.00 C ATOM 88 SD MET A 9 -3.222 -2.778 12.686 1.00 0.00 S ATOM 89 CE MET A 9 -4.577 -3.939 12.695 1.00 0.00 C ATOM 0 H MET A 9 0.032 -2.551 10.578 1.00 0.00 H new ATOM 0 HA MET A 9 -2.080 -2.001 8.658 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.407 -1.285 11.521 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.565 -0.294 10.657 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.180 -1.936 10.668 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.028 -3.217 10.347 1.00 0.00 H new ATOM 0 HE1 MET A 9 -4.724 -4.318 13.706 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.486 -3.440 12.359 1.00 0.00 H new ATOM 0 HE3 MET A 9 -4.350 -4.769 12.026 1.00 0.00 H new ATOM 99 N VAL A 10 -1.148 -0.029 7.551 1.00 0.00 N ATOM 100 CA VAL A 10 -0.687 1.174 6.879 1.00 0.00 C ATOM 101 C VAL A 10 -1.895 2.006 6.446 1.00 0.00 C ATOM 102 O VAL A 10 -2.952 1.458 6.136 1.00 0.00 O ATOM 103 CB VAL A 10 0.231 0.802 5.713 1.00 0.00 C ATOM 104 CG1 VAL A 10 1.497 0.102 6.213 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.505 -0.063 4.689 1.00 0.00 C ATOM 0 H VAL A 10 -1.721 -0.646 6.975 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.096 1.788 7.558 1.00 0.00 H new ATOM 0 HB VAL A 10 0.532 1.725 5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.132 -0.152 5.364 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.039 0.767 6.886 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.223 -0.809 6.746 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.171 -0.313 3.871 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.850 -0.980 5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.361 0.486 4.297 1.00 0.00 H new ATOM 115 N PHE A 11 -1.699 3.316 6.440 1.00 0.00 N ATOM 116 CA PHE A 11 -2.760 4.230 6.050 1.00 0.00 C ATOM 117 C PHE A 11 -2.695 4.540 4.553 1.00 0.00 C ATOM 118 O PHE A 11 -1.863 5.333 4.115 1.00 0.00 O ATOM 119 CB PHE A 11 -2.546 5.525 6.836 1.00 0.00 C ATOM 120 CG PHE A 11 -3.192 5.525 8.223 1.00 0.00 C ATOM 121 CD1 PHE A 11 -4.502 5.862 8.363 1.00 0.00 C ATOM 122 CD2 PHE A 11 -2.456 5.187 9.316 1.00 0.00 C ATOM 123 CE1 PHE A 11 -5.102 5.862 9.651 1.00 0.00 C ATOM 124 CE2 PHE A 11 -3.056 5.187 10.603 1.00 0.00 C ATOM 125 CZ PHE A 11 -4.366 5.524 10.743 1.00 0.00 C ATOM 0 H PHE A 11 -0.821 3.767 6.699 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.732 3.782 6.259 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.476 5.699 6.945 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.947 6.358 6.259 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.086 6.130 7.495 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.416 4.919 9.205 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.142 6.130 9.762 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.472 4.919 11.471 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.822 5.523 11.722 1.00 0.00 H new ATOM 135 N ILE A 12 -3.583 3.897 3.809 1.00 0.00 N ATOM 136 CA ILE A 12 -3.637 4.094 2.371 1.00 0.00 C ATOM 137 C ILE A 12 -4.477 5.335 2.061 1.00 0.00 C ATOM 138 O ILE A 12 -5.437 5.632 2.772 1.00 0.00 O ATOM 139 CB ILE A 12 -4.134 2.826 1.675 1.00 0.00 C ATOM 140 CG1 ILE A 12 -3.420 1.586 2.218 1.00 0.00 C ATOM 141 CG2 ILE A 12 -3.999 2.945 0.155 1.00 0.00 C ATOM 142 CD1 ILE A 12 -1.961 1.549 1.759 1.00 0.00 C ATOM 0 H ILE A 12 -4.271 3.239 4.175 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.638 4.277 1.974 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.195 2.710 1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.463 1.585 3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.935 0.687 1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.359 2.030 -0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.589 3.791 -0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.952 3.099 -0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.476 0.658 2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.923 1.525 0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.443 2.437 2.121 1.00 0.00 H new ATOM 154 N SER A 13 -4.087 6.025 1.000 1.00 0.00 N ATOM 155 CA SER A 13 -4.792 7.227 0.588 1.00 0.00 C ATOM 156 C SER A 13 -4.627 7.440 -0.918 1.00 0.00 C ATOM 157 O SER A 13 -4.027 6.613 -1.603 1.00 0.00 O ATOM 158 CB SER A 13 -4.289 8.451 1.355 1.00 0.00 C ATOM 159 OG SER A 13 -2.877 8.420 1.544 1.00 0.00 O ATOM 0 H SER A 13 -3.291 5.775 0.413 1.00 0.00 H new ATOM 0 HA SER A 13 -5.850 7.098 0.817 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.562 9.356 0.813 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.784 8.499 2.325 1.00 0.00 H new ATOM 0 HG SER A 13 -2.553 9.325 1.736 1.00 0.00 H new ATOM 165 N SER A 14 -5.171 8.552 -1.389 1.00 0.00 N ATOM 166 CA SER A 14 -5.092 8.884 -2.802 1.00 0.00 C ATOM 167 C SER A 14 -5.604 10.307 -3.035 1.00 0.00 C ATOM 168 O SER A 14 -6.240 10.892 -2.160 1.00 0.00 O ATOM 169 CB SER A 14 -5.888 7.888 -3.647 1.00 0.00 C ATOM 170 OG SER A 14 -6.914 8.529 -4.402 1.00 0.00 O ATOM 0 H SER A 14 -5.668 9.235 -0.818 1.00 0.00 H new ATOM 0 HA SER A 14 -4.048 8.826 -3.109 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.212 7.365 -4.324 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.333 7.135 -2.997 1.00 0.00 H new ATOM 0 HG SER A 14 -7.688 8.697 -3.825 1.00 0.00 H new ATOM 176 N SER A 15 -5.307 10.822 -4.219 1.00 0.00 N ATOM 177 CA SER A 15 -5.729 12.165 -4.578 1.00 0.00 C ATOM 178 C SER A 15 -7.209 12.162 -4.968 1.00 0.00 C ATOM 179 O SER A 15 -7.875 13.193 -4.900 1.00 0.00 O ATOM 180 CB SER A 15 -4.879 12.723 -5.721 1.00 0.00 C ATOM 181 OG SER A 15 -4.877 14.148 -5.739 1.00 0.00 O ATOM 0 H SER A 15 -4.779 10.333 -4.942 1.00 0.00 H new ATOM 0 HA SER A 15 -5.590 12.810 -3.711 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.856 12.360 -5.622 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.259 12.349 -6.672 1.00 0.00 H new ATOM 0 HG SER A 15 -4.322 14.465 -6.482 1.00 0.00 H new ATOM 187 N LEU A 16 -7.679 10.990 -5.370 1.00 0.00 N ATOM 188 CA LEU A 16 -9.067 10.839 -5.772 1.00 0.00 C ATOM 189 C LEU A 16 -9.977 11.302 -4.632 1.00 0.00 C ATOM 190 O LEU A 16 -10.742 12.252 -4.791 1.00 0.00 O ATOM 191 CB LEU A 16 -9.338 9.405 -6.232 1.00 0.00 C ATOM 192 CG LEU A 16 -8.502 8.910 -7.414 1.00 0.00 C ATOM 193 CD1 LEU A 16 -8.147 7.431 -7.253 1.00 0.00 C ATOM 194 CD2 LEU A 16 -9.210 9.189 -8.741 1.00 0.00 C ATOM 0 H LEU A 16 -7.123 10.136 -5.426 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.286 11.472 -6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.170 8.736 -5.388 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.392 9.323 -6.498 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.565 9.466 -7.426 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.553 7.104 -8.106 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.573 7.292 -6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.062 6.841 -7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.595 8.827 -9.565 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.172 8.677 -8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.369 10.262 -8.850 1.00 0.00 H new ATOM 206 N ASN A 17 -9.863 10.609 -3.509 1.00 0.00 N ATOM 207 CA ASN A 17 -10.666 10.937 -2.343 1.00 0.00 C ATOM 208 C ASN A 17 -9.773 11.577 -1.278 1.00 0.00 C ATOM 209 O ASN A 17 -8.822 10.956 -0.806 1.00 0.00 O ATOM 210 CB ASN A 17 -11.298 9.681 -1.738 1.00 0.00 C ATOM 211 CG ASN A 17 -12.370 9.105 -2.666 1.00 0.00 C ATOM 212 OD1 ASN A 17 -13.480 9.603 -2.758 1.00 0.00 O ATOM 213 ND2 ASN A 17 -11.977 8.032 -3.346 1.00 0.00 N ATOM 0 H ASN A 17 -9.227 9.822 -3.381 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.454 11.621 -2.658 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.527 8.932 -1.558 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.740 9.922 -0.771 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.620 7.574 -3.992 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.033 7.667 -3.221 1.00 0.00 H new ATOM 220 N SER A 18 -10.112 12.809 -0.930 1.00 0.00 N ATOM 221 CA SER A 18 -9.353 13.540 0.070 1.00 0.00 C ATOM 222 C SER A 18 -9.606 12.945 1.457 1.00 0.00 C ATOM 223 O SER A 18 -10.275 13.558 2.287 1.00 0.00 O ATOM 224 CB SER A 18 -9.713 15.027 0.057 1.00 0.00 C ATOM 225 OG SER A 18 -8.560 15.857 0.174 1.00 0.00 O ATOM 0 H SER A 18 -10.903 13.320 -1.323 1.00 0.00 H new ATOM 0 HA SER A 18 -8.294 13.448 -0.170 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.238 15.265 -0.868 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.399 15.241 0.877 1.00 0.00 H new ATOM 0 HG SER A 18 -8.832 16.798 0.160 1.00 0.00 H new ATOM 231 N PHE A 19 -9.057 11.757 1.665 1.00 0.00 N ATOM 232 CA PHE A 19 -9.214 11.072 2.936 1.00 0.00 C ATOM 233 C PHE A 19 -8.293 9.853 3.020 1.00 0.00 C ATOM 234 O PHE A 19 -7.868 9.320 1.996 1.00 0.00 O ATOM 235 CB PHE A 19 -10.669 10.604 3.015 1.00 0.00 C ATOM 236 CG PHE A 19 -11.191 10.433 4.443 1.00 0.00 C ATOM 237 CD1 PHE A 19 -11.229 11.500 5.285 1.00 0.00 C ATOM 238 CD2 PHE A 19 -11.617 9.214 4.870 1.00 0.00 C ATOM 239 CE1 PHE A 19 -11.714 11.341 6.611 1.00 0.00 C ATOM 240 CE2 PHE A 19 -12.102 9.056 6.195 1.00 0.00 C ATOM 241 CZ PHE A 19 -12.140 10.122 7.037 1.00 0.00 C ATOM 0 H PHE A 19 -8.503 11.252 0.974 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.958 11.744 3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.300 11.323 2.492 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.764 9.654 2.488 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.891 12.468 4.946 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.586 8.366 4.201 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.744 12.188 7.280 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -12.441 8.088 6.534 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.509 10.001 8.045 1.00 0.00 H new ATOM 251 N ARG A 20 -8.013 9.447 4.250 1.00 0.00 N ATOM 252 CA ARG A 20 -7.150 8.301 4.481 1.00 0.00 C ATOM 253 C ARG A 20 -7.989 7.058 4.787 1.00 0.00 C ATOM 254 O ARG A 20 -9.053 7.158 5.395 1.00 0.00 O ATOM 255 CB ARG A 20 -6.191 8.559 5.644 1.00 0.00 C ATOM 256 CG ARG A 20 -5.033 9.461 5.211 1.00 0.00 C ATOM 257 CD ARG A 20 -5.415 10.938 5.330 1.00 0.00 C ATOM 258 NE ARG A 20 -4.945 11.480 6.624 1.00 0.00 N ATOM 259 CZ ARG A 20 -5.474 12.555 7.226 1.00 0.00 C ATOM 260 NH1 ARG A 20 -6.494 13.208 6.653 1.00 0.00 N ATOM 261 NH2 ARG A 20 -4.983 12.975 8.399 1.00 0.00 N ATOM 0 H ARG A 20 -8.368 9.891 5.097 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.567 8.137 3.574 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.731 9.025 6.468 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.800 7.611 6.014 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.158 9.257 5.828 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.757 9.235 4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.975 11.503 4.508 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.496 11.050 5.251 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.170 11.006 7.087 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.867 12.887 5.760 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.897 14.026 7.110 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.207 12.477 8.835 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.385 13.793 8.857 1.00 0.00 H new ATOM 275 N SER A 21 -7.477 5.916 4.351 1.00 0.00 N ATOM 276 CA SER A 21 -8.166 4.656 4.570 1.00 0.00 C ATOM 277 C SER A 21 -7.372 3.789 5.550 1.00 0.00 C ATOM 278 O SER A 21 -6.217 4.086 5.851 1.00 0.00 O ATOM 279 CB SER A 21 -8.379 3.908 3.253 1.00 0.00 C ATOM 280 OG SER A 21 -9.592 4.293 2.611 1.00 0.00 O ATOM 0 H SER A 21 -6.593 5.837 3.847 1.00 0.00 H new ATOM 0 HA SER A 21 -9.146 4.872 4.996 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.539 4.101 2.586 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.394 2.835 3.444 1.00 0.00 H new ATOM 0 HG SER A 21 -9.691 3.795 1.773 1.00 0.00 H new ATOM 286 N GLU A 22 -8.023 2.735 6.019 1.00 0.00 N ATOM 287 CA GLU A 22 -7.392 1.824 6.959 1.00 0.00 C ATOM 288 C GLU A 22 -7.402 0.398 6.403 1.00 0.00 C ATOM 289 O GLU A 22 -8.407 -0.304 6.503 1.00 0.00 O ATOM 290 CB GLU A 22 -8.076 1.884 8.325 1.00 0.00 C ATOM 291 CG GLU A 22 -7.237 1.176 9.391 1.00 0.00 C ATOM 292 CD GLU A 22 -7.709 1.548 10.798 1.00 0.00 C ATOM 293 OE1 GLU A 22 -8.927 1.795 10.941 1.00 0.00 O ATOM 294 OE2 GLU A 22 -6.843 1.578 11.698 1.00 0.00 O ATOM 0 H GLU A 22 -8.981 2.491 5.766 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.356 2.134 7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.232 2.924 8.612 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.060 1.419 8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.305 0.097 9.254 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.188 1.447 9.272 1.00 0.00 H new ATOM 301 N LYS A 23 -6.271 0.013 5.829 1.00 0.00 N ATOM 302 CA LYS A 23 -6.137 -1.316 5.257 1.00 0.00 C ATOM 303 C LYS A 23 -4.991 -2.053 5.953 1.00 0.00 C ATOM 304 O LYS A 23 -4.274 -1.468 6.764 1.00 0.00 O ATOM 305 CB LYS A 23 -5.982 -1.232 3.737 1.00 0.00 C ATOM 306 CG LYS A 23 -7.338 -1.030 3.058 1.00 0.00 C ATOM 307 CD LYS A 23 -7.869 -2.348 2.491 1.00 0.00 C ATOM 308 CE LYS A 23 -9.003 -2.099 1.495 1.00 0.00 C ATOM 309 NZ LYS A 23 -10.226 -2.823 1.910 1.00 0.00 N ATOM 0 H LYS A 23 -5.439 0.598 5.748 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.042 -1.898 5.430 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.317 -0.408 3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.517 -2.145 3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.051 -0.625 3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.242 -0.298 2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.060 -2.888 1.999 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.226 -2.980 3.304 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.210 -1.031 1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.700 -2.426 0.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.986 -2.643 1.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.029 -3.843 1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.523 -2.492 2.850 1.00 0.00 H new ATOM 323 N ARG A 24 -4.853 -3.325 5.610 1.00 0.00 N ATOM 324 CA ARG A 24 -3.807 -4.148 6.192 1.00 0.00 C ATOM 325 C ARG A 24 -3.164 -5.027 5.117 1.00 0.00 C ATOM 326 O ARG A 24 -3.846 -5.504 4.211 1.00 0.00 O ATOM 327 CB ARG A 24 -4.360 -5.038 7.306 1.00 0.00 C ATOM 328 CG ARG A 24 -3.290 -6.003 7.820 1.00 0.00 C ATOM 329 CD ARG A 24 -3.914 -7.108 8.675 1.00 0.00 C ATOM 330 NE ARG A 24 -3.276 -8.408 8.366 1.00 0.00 N ATOM 331 CZ ARG A 24 -3.574 -9.557 8.987 1.00 0.00 C ATOM 332 NH1 ARG A 24 -4.501 -9.575 9.955 1.00 0.00 N ATOM 333 NH2 ARG A 24 -2.945 -10.688 8.641 1.00 0.00 N ATOM 0 H ARG A 24 -5.449 -3.806 4.936 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.058 -3.480 6.616 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.720 -4.418 8.127 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.215 -5.602 6.934 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.760 -6.446 6.977 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.553 -5.455 8.408 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.790 -6.875 9.733 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.986 -7.165 8.485 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.565 -8.430 7.635 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.980 -8.714 10.219 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.728 -10.450 10.428 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.239 -10.674 7.905 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.172 -11.563 9.114 1.00 0.00 H new ATOM 347 N TYR A 25 -1.860 -5.216 5.254 1.00 0.00 N ATOM 348 CA TYR A 25 -1.118 -6.030 4.307 1.00 0.00 C ATOM 349 C TYR A 25 0.070 -6.715 4.984 1.00 0.00 C ATOM 350 O TYR A 25 0.499 -6.300 6.060 1.00 0.00 O ATOM 351 CB TYR A 25 -0.595 -5.065 3.240 1.00 0.00 C ATOM 352 CG TYR A 25 -1.646 -4.080 2.724 1.00 0.00 C ATOM 353 CD1 TYR A 25 -1.919 -2.928 3.434 1.00 0.00 C ATOM 354 CD2 TYR A 25 -2.320 -4.343 1.549 1.00 0.00 C ATOM 355 CE1 TYR A 25 -2.908 -2.001 2.948 1.00 0.00 C ATOM 356 CE2 TYR A 25 -3.309 -3.415 1.063 1.00 0.00 C ATOM 357 CZ TYR A 25 -3.554 -2.290 1.787 1.00 0.00 C ATOM 358 OH TYR A 25 -4.488 -1.414 1.328 1.00 0.00 O ATOM 0 H TYR A 25 -1.298 -4.819 6.007 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.756 -6.809 3.890 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.243 -4.503 3.652 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.209 -5.643 2.400 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.391 -2.722 4.353 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.106 -5.244 0.994 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.132 -1.096 3.494 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.844 -3.608 0.145 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.251 -1.910 0.964 1.00 0.00 H new ATOM 368 N SER A 26 0.569 -7.752 4.327 1.00 0.00 N ATOM 369 CA SER A 26 1.700 -8.498 4.852 1.00 0.00 C ATOM 370 C SER A 26 3.010 -7.833 4.424 1.00 0.00 C ATOM 371 O SER A 26 3.101 -7.282 3.329 1.00 0.00 O ATOM 372 CB SER A 26 1.665 -9.954 4.383 1.00 0.00 C ATOM 373 OG SER A 26 2.844 -10.663 4.755 1.00 0.00 O ATOM 0 H SER A 26 0.210 -8.093 3.435 1.00 0.00 H new ATOM 0 HA SER A 26 1.637 -8.494 5.940 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.793 -10.451 4.809 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.551 -9.983 3.299 1.00 0.00 H new ATOM 0 HG SER A 26 2.782 -11.589 4.439 1.00 0.00 H new ATOM 379 N ARG A 27 3.991 -7.907 5.311 1.00 0.00 N ATOM 380 CA ARG A 27 5.292 -7.320 5.039 1.00 0.00 C ATOM 381 C ARG A 27 6.018 -8.118 3.954 1.00 0.00 C ATOM 382 O ARG A 27 7.079 -7.711 3.485 1.00 0.00 O ATOM 383 CB ARG A 27 6.156 -7.286 6.301 1.00 0.00 C ATOM 384 CG ARG A 27 5.573 -6.324 7.339 1.00 0.00 C ATOM 385 CD ARG A 27 6.651 -5.851 8.315 1.00 0.00 C ATOM 386 NE ARG A 27 6.233 -6.132 9.707 1.00 0.00 N ATOM 387 CZ ARG A 27 7.042 -6.024 10.770 1.00 0.00 C ATOM 388 NH1 ARG A 27 8.315 -5.642 10.608 1.00 0.00 N ATOM 389 NH2 ARG A 27 6.576 -6.300 11.996 1.00 0.00 N ATOM 0 H ARG A 27 3.911 -8.365 6.219 1.00 0.00 H new ATOM 0 HA ARG A 27 5.129 -6.298 4.696 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.225 -8.287 6.726 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.170 -6.979 6.044 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.131 -5.464 6.835 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.772 -6.818 7.888 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.593 -6.355 8.101 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.825 -4.783 8.188 1.00 0.00 H new ATOM 0 HE ARG A 27 5.270 -6.426 9.867 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.670 -5.433 9.675 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.930 -5.560 11.418 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.606 -6.592 12.119 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.191 -6.218 12.806 1.00 0.00 H new ATOM 403 N SER A 28 5.417 -9.240 3.587 1.00 0.00 N ATOM 404 CA SER A 28 5.993 -10.099 2.567 1.00 0.00 C ATOM 405 C SER A 28 5.375 -9.779 1.204 1.00 0.00 C ATOM 406 O SER A 28 5.946 -10.110 0.166 1.00 0.00 O ATOM 407 CB SER A 28 5.787 -11.576 2.909 1.00 0.00 C ATOM 408 OG SER A 28 7.017 -12.230 3.210 1.00 0.00 O ATOM 0 H SER A 28 4.536 -9.574 3.978 1.00 0.00 H new ATOM 0 HA SER A 28 7.066 -9.910 2.527 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.113 -11.660 3.762 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.305 -12.079 2.071 1.00 0.00 H new ATOM 0 HG SER A 28 6.844 -13.170 3.425 1.00 0.00 H new ATOM 414 N LEU A 29 4.216 -9.138 1.251 1.00 0.00 N ATOM 415 CA LEU A 29 3.515 -8.769 0.033 1.00 0.00 C ATOM 416 C LEU A 29 4.423 -7.888 -0.827 1.00 0.00 C ATOM 417 O LEU A 29 4.864 -6.828 -0.385 1.00 0.00 O ATOM 418 CB LEU A 29 2.168 -8.124 0.365 1.00 0.00 C ATOM 419 CG LEU A 29 0.944 -9.037 0.260 1.00 0.00 C ATOM 420 CD1 LEU A 29 -0.345 -8.258 0.533 1.00 0.00 C ATOM 421 CD2 LEU A 29 0.906 -9.751 -1.092 1.00 0.00 C ATOM 0 H LEU A 29 3.745 -8.865 2.114 1.00 0.00 H new ATOM 0 HA LEU A 29 3.282 -9.656 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.217 -7.730 1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.021 -7.274 -0.301 1.00 0.00 H new ATOM 0 HG LEU A 29 1.025 -9.807 1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.200 -8.929 0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.309 -7.835 1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.445 -7.454 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.026 -10.393 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.860 -9.012 -1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.804 -10.357 -1.209 1.00 0.00 H new ATOM 433 N THR A 30 4.676 -8.359 -2.039 1.00 0.00 N ATOM 434 CA THR A 30 5.524 -7.627 -2.964 1.00 0.00 C ATOM 435 C THR A 30 4.832 -6.340 -3.418 1.00 0.00 C ATOM 436 O THR A 30 3.643 -6.349 -3.733 1.00 0.00 O ATOM 437 CB THR A 30 5.882 -8.564 -4.120 1.00 0.00 C ATOM 438 OG1 THR A 30 4.701 -9.335 -4.320 1.00 0.00 O ATOM 439 CG2 THR A 30 6.940 -9.598 -3.729 1.00 0.00 C ATOM 0 H THR A 30 4.309 -9.239 -2.402 1.00 0.00 H new ATOM 0 HA THR A 30 6.450 -7.310 -2.485 1.00 0.00 H new ATOM 0 HB THR A 30 6.243 -7.977 -4.965 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.844 -9.968 -5.054 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.158 -10.237 -4.585 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.851 -9.087 -3.417 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.566 -10.208 -2.906 1.00 0.00 H new ATOM 447 N ILE A 31 5.605 -5.265 -3.437 1.00 0.00 N ATOM 448 CA ILE A 31 5.082 -3.973 -3.847 1.00 0.00 C ATOM 449 C ILE A 31 4.093 -4.170 -4.998 1.00 0.00 C ATOM 450 O ILE A 31 2.979 -3.651 -4.959 1.00 0.00 O ATOM 451 CB ILE A 31 6.225 -3.011 -4.176 1.00 0.00 C ATOM 452 CG1 ILE A 31 7.197 -2.892 -3.000 1.00 0.00 C ATOM 453 CG2 ILE A 31 5.686 -1.648 -4.614 1.00 0.00 C ATOM 454 CD1 ILE A 31 6.447 -2.612 -1.696 1.00 0.00 C ATOM 0 H ILE A 31 6.591 -5.262 -3.175 1.00 0.00 H new ATOM 0 HA ILE A 31 4.532 -3.508 -3.029 1.00 0.00 H new ATOM 0 HB ILE A 31 6.785 -3.421 -5.017 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.771 -3.814 -2.903 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.911 -2.091 -3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.519 -0.983 -4.842 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.066 -1.770 -5.502 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.088 -1.218 -3.811 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.161 -2.532 -0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.894 -1.677 -1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.752 -3.427 -1.494 1.00 0.00 H new ATOM 466 N ALA A 32 4.537 -4.921 -5.995 1.00 0.00 N ATOM 467 CA ALA A 32 3.706 -5.194 -7.155 1.00 0.00 C ATOM 468 C ALA A 32 2.344 -5.712 -6.690 1.00 0.00 C ATOM 469 O ALA A 32 1.306 -5.193 -7.099 1.00 0.00 O ATOM 470 CB ALA A 32 4.423 -6.183 -8.076 1.00 0.00 C ATOM 0 H ALA A 32 5.462 -5.349 -6.023 1.00 0.00 H new ATOM 0 HA ALA A 32 3.534 -4.282 -7.727 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.799 -6.388 -8.946 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.371 -5.755 -8.402 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.610 -7.112 -7.537 1.00 0.00 H new ATOM 476 N GLU A 33 2.391 -6.729 -5.842 1.00 0.00 N ATOM 477 CA GLU A 33 1.173 -7.323 -5.318 1.00 0.00 C ATOM 478 C GLU A 33 0.427 -6.317 -4.439 1.00 0.00 C ATOM 479 O GLU A 33 -0.755 -6.057 -4.654 1.00 0.00 O ATOM 480 CB GLU A 33 1.479 -8.607 -4.543 1.00 0.00 C ATOM 481 CG GLU A 33 1.756 -9.770 -5.497 1.00 0.00 C ATOM 482 CD GLU A 33 0.471 -10.535 -5.818 1.00 0.00 C ATOM 483 OE1 GLU A 33 0.148 -11.456 -5.036 1.00 0.00 O ATOM 484 OE2 GLU A 33 -0.161 -10.182 -6.837 1.00 0.00 O ATOM 0 H GLU A 33 3.253 -7.157 -5.505 1.00 0.00 H new ATOM 0 HA GLU A 33 0.531 -7.588 -6.158 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.342 -8.449 -3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.637 -8.855 -3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.198 -9.391 -6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.484 -10.447 -5.049 1.00 0.00 H new ATOM 491 N PHE A 34 1.150 -5.778 -3.467 1.00 0.00 N ATOM 492 CA PHE A 34 0.571 -4.807 -2.555 1.00 0.00 C ATOM 493 C PHE A 34 -0.326 -3.819 -3.303 1.00 0.00 C ATOM 494 O PHE A 34 -1.441 -3.535 -2.868 1.00 0.00 O ATOM 495 CB PHE A 34 1.734 -4.041 -1.921 1.00 0.00 C ATOM 496 CG PHE A 34 1.301 -2.968 -0.920 1.00 0.00 C ATOM 497 CD1 PHE A 34 0.109 -3.082 -0.275 1.00 0.00 C ATOM 498 CD2 PHE A 34 2.107 -1.900 -0.676 1.00 0.00 C ATOM 499 CE1 PHE A 34 -0.293 -2.086 0.654 1.00 0.00 C ATOM 500 CE2 PHE A 34 1.705 -0.904 0.253 1.00 0.00 C ATOM 501 CZ PHE A 34 0.513 -1.018 0.898 1.00 0.00 C ATOM 0 H PHE A 34 2.131 -5.996 -3.292 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.038 -5.316 -1.808 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.390 -4.750 -1.417 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.320 -3.571 -2.711 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.531 -3.930 -0.469 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.053 -1.809 -1.189 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.239 -2.177 1.167 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.345 -0.056 0.447 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.206 -0.260 1.604 1.00 0.00 H new ATOM 511 N LYS A 35 0.193 -3.322 -4.416 1.00 0.00 N ATOM 512 CA LYS A 35 -0.547 -2.373 -5.229 1.00 0.00 C ATOM 513 C LYS A 35 -1.816 -3.043 -5.761 1.00 0.00 C ATOM 514 O LYS A 35 -2.881 -2.429 -5.789 1.00 0.00 O ATOM 515 CB LYS A 35 0.348 -1.794 -6.326 1.00 0.00 C ATOM 516 CG LYS A 35 1.617 -1.179 -5.731 1.00 0.00 C ATOM 517 CD LYS A 35 2.783 -1.268 -6.717 1.00 0.00 C ATOM 518 CE LYS A 35 3.756 -0.103 -6.522 1.00 0.00 C ATOM 519 NZ LYS A 35 4.926 -0.249 -7.416 1.00 0.00 N ATOM 0 H LYS A 35 1.118 -3.559 -4.774 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.864 -1.522 -4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.617 -2.579 -7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.200 -1.036 -6.885 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.433 -0.136 -5.472 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.877 -1.695 -4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.309 -2.213 -6.579 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.402 -1.261 -7.738 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.249 0.840 -6.728 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.086 -0.067 -5.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.777 0.108 -6.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.058 -1.253 -7.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.767 0.295 -8.288 1.00 0.00 H new ATOM 533 N CYS A 36 -1.659 -4.294 -6.169 1.00 0.00 N ATOM 534 CA CYS A 36 -2.779 -5.054 -6.698 1.00 0.00 C ATOM 535 C CYS A 36 -3.944 -4.943 -5.712 1.00 0.00 C ATOM 536 O CYS A 36 -5.105 -4.942 -6.116 1.00 0.00 O ATOM 537 CB CYS A 36 -2.396 -6.510 -6.968 1.00 0.00 C ATOM 538 SG CYS A 36 -3.057 -7.041 -8.590 1.00 0.00 S ATOM 0 H CYS A 36 -0.774 -4.800 -6.144 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.080 -4.641 -7.661 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.311 -6.618 -6.955 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.789 -7.150 -6.179 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.688 -6.050 -9.147 1.00 0.00 H new ATOM 544 N LYS A 37 -3.592 -4.852 -4.438 1.00 0.00 N ATOM 545 CA LYS A 37 -4.594 -4.740 -3.392 1.00 0.00 C ATOM 546 C LYS A 37 -5.172 -3.324 -3.393 1.00 0.00 C ATOM 547 O LYS A 37 -6.367 -3.137 -3.171 1.00 0.00 O ATOM 548 CB LYS A 37 -4.009 -5.164 -2.043 1.00 0.00 C ATOM 549 CG LYS A 37 -3.862 -6.685 -1.962 1.00 0.00 C ATOM 550 CD LYS A 37 -2.605 -7.154 -2.699 1.00 0.00 C ATOM 551 CE LYS A 37 -2.542 -8.681 -2.756 1.00 0.00 C ATOM 552 NZ LYS A 37 -1.694 -9.123 -3.887 1.00 0.00 N ATOM 0 H LYS A 37 -2.627 -4.854 -4.107 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.422 -5.422 -3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.036 -4.693 -1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.654 -4.814 -1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.813 -6.994 -0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.741 -7.163 -2.395 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.599 -6.748 -3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.718 -6.768 -2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.141 -9.070 -1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.547 -9.089 -2.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.291 -9.556 -4.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.194 -8.303 -4.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.000 -9.820 -3.549 1.00 0.00 H new ATOM 566 N LEU A 38 -4.296 -2.362 -3.646 1.00 0.00 N ATOM 567 CA LEU A 38 -4.705 -0.968 -3.680 1.00 0.00 C ATOM 568 C LEU A 38 -5.556 -0.721 -4.927 1.00 0.00 C ATOM 569 O LEU A 38 -6.426 0.150 -4.926 1.00 0.00 O ATOM 570 CB LEU A 38 -3.485 -0.050 -3.576 1.00 0.00 C ATOM 571 CG LEU A 38 -2.475 -0.398 -2.481 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.201 0.437 -2.625 1.00 0.00 C ATOM 573 CD2 LEU A 38 -3.100 -0.254 -1.092 1.00 0.00 C ATOM 0 H LEU A 38 -3.305 -2.521 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.328 -0.732 -2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.967 -0.056 -4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.835 0.969 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.190 -1.444 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.500 0.170 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.745 0.241 -3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.449 1.496 -2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.361 -0.507 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.432 0.774 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.954 -0.926 -1.006 1.00 0.00 H new ATOM 585 N GLU A 39 -5.277 -1.501 -5.960 1.00 0.00 N ATOM 586 CA GLU A 39 -6.006 -1.378 -7.210 1.00 0.00 C ATOM 587 C GLU A 39 -7.507 -1.256 -6.940 1.00 0.00 C ATOM 588 O GLU A 39 -8.225 -0.595 -7.688 1.00 0.00 O ATOM 589 CB GLU A 39 -5.710 -2.559 -8.137 1.00 0.00 C ATOM 590 CG GLU A 39 -4.291 -2.470 -8.702 1.00 0.00 C ATOM 591 CD GLU A 39 -4.075 -3.508 -9.806 1.00 0.00 C ATOM 592 OE1 GLU A 39 -4.279 -4.705 -9.507 1.00 0.00 O ATOM 593 OE2 GLU A 39 -3.710 -3.081 -10.922 1.00 0.00 O ATOM 0 H GLU A 39 -4.555 -2.222 -5.957 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.672 -0.471 -7.714 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.829 -3.494 -7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.431 -2.574 -8.955 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.116 -1.470 -9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.567 -2.628 -7.903 1.00 0.00 H new ATOM 600 N LEU A 40 -7.937 -1.905 -5.867 1.00 0.00 N ATOM 601 CA LEU A 40 -9.340 -1.878 -5.488 1.00 0.00 C ATOM 602 C LEU A 40 -9.575 -0.730 -4.505 1.00 0.00 C ATOM 603 O LEU A 40 -10.661 -0.152 -4.468 1.00 0.00 O ATOM 604 CB LEU A 40 -9.777 -3.243 -4.955 1.00 0.00 C ATOM 605 CG LEU A 40 -9.569 -4.430 -5.899 1.00 0.00 C ATOM 606 CD1 LEU A 40 -9.009 -5.638 -5.145 1.00 0.00 C ATOM 607 CD2 LEU A 40 -10.860 -4.769 -6.647 1.00 0.00 C ATOM 0 H LEU A 40 -7.339 -2.452 -5.248 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.967 -1.686 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.235 -3.440 -4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.835 -3.189 -4.699 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.829 -4.146 -6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.871 -6.468 -5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.050 -5.375 -4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.707 -5.933 -4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.684 -5.616 -7.311 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.639 -5.026 -5.930 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.177 -3.907 -7.234 1.00 0.00 H new ATOM 619 N VAL A 41 -8.541 -0.432 -3.732 1.00 0.00 N ATOM 620 CA VAL A 41 -8.622 0.637 -2.751 1.00 0.00 C ATOM 621 C VAL A 41 -8.885 1.962 -3.469 1.00 0.00 C ATOM 622 O VAL A 41 -9.669 2.783 -2.995 1.00 0.00 O ATOM 623 CB VAL A 41 -7.352 0.660 -1.897 1.00 0.00 C ATOM 624 CG1 VAL A 41 -7.387 1.817 -0.897 1.00 0.00 C ATOM 625 CG2 VAL A 41 -7.147 -0.677 -1.183 1.00 0.00 C ATOM 0 H VAL A 41 -7.642 -0.913 -3.765 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.454 0.467 -2.067 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.503 0.817 -2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.474 1.812 -0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.464 2.761 -1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.249 1.704 -0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.238 -0.634 -0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.000 -0.878 -0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.057 -1.474 -1.921 1.00 0.00 H new ATOM 635 N VAL A 42 -8.214 2.130 -4.599 1.00 0.00 N ATOM 636 CA VAL A 42 -8.366 3.342 -5.386 1.00 0.00 C ATOM 637 C VAL A 42 -9.219 3.041 -6.619 1.00 0.00 C ATOM 638 O VAL A 42 -9.881 3.930 -7.153 1.00 0.00 O ATOM 639 CB VAL A 42 -6.990 3.914 -5.736 1.00 0.00 C ATOM 640 CG1 VAL A 42 -6.478 4.831 -4.623 1.00 0.00 C ATOM 641 CG2 VAL A 42 -5.989 2.794 -6.029 1.00 0.00 C ATOM 0 H VAL A 42 -7.564 1.447 -4.988 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.886 4.108 -4.811 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.096 4.513 -6.640 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.499 5.224 -4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.175 5.658 -4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.395 4.265 -3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.020 3.228 -6.275 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.889 2.156 -5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.344 2.199 -6.871 1.00 0.00 H new ATOM 651 N GLY A 43 -9.177 1.784 -7.036 1.00 0.00 N ATOM 652 CA GLY A 43 -9.938 1.354 -8.197 1.00 0.00 C ATOM 653 C GLY A 43 -9.148 1.583 -9.487 1.00 0.00 C ATOM 654 O GLY A 43 -9.678 1.409 -10.583 1.00 0.00 O ATOM 0 H GLY A 43 -8.628 1.049 -6.590 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.187 0.297 -8.102 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.880 1.901 -8.241 1.00 0.00 H new ATOM 658 N SER A 44 -7.893 1.970 -9.313 1.00 0.00 N ATOM 659 CA SER A 44 -7.024 2.224 -10.449 1.00 0.00 C ATOM 660 C SER A 44 -6.021 1.079 -10.608 1.00 0.00 C ATOM 661 O SER A 44 -5.891 0.236 -9.723 1.00 0.00 O ATOM 662 CB SER A 44 -6.288 3.556 -10.293 1.00 0.00 C ATOM 663 OG SER A 44 -6.557 4.171 -9.036 1.00 0.00 O ATOM 0 H SER A 44 -7.457 2.114 -8.402 1.00 0.00 H new ATOM 0 HA SER A 44 -7.642 2.284 -11.345 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.215 3.391 -10.394 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.584 4.230 -11.097 1.00 0.00 H new ATOM 0 HG SER A 44 -6.067 5.018 -8.975 1.00 0.00 H new ATOM 669 N PRO A 45 -5.320 1.087 -11.774 1.00 0.00 N ATOM 670 CA PRO A 45 -4.333 0.060 -12.060 1.00 0.00 C ATOM 671 C PRO A 45 -3.055 0.286 -11.249 1.00 0.00 C ATOM 672 O PRO A 45 -2.574 1.413 -11.144 1.00 0.00 O ATOM 673 CB PRO A 45 -4.106 0.139 -13.561 1.00 0.00 C ATOM 674 CG PRO A 45 -4.619 1.505 -13.988 1.00 0.00 C ATOM 675 CD PRO A 45 -5.448 2.070 -12.845 1.00 0.00 C ATOM 0 HA PRO A 45 -4.668 -0.937 -11.773 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.049 0.025 -13.803 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.639 -0.658 -14.079 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.787 2.170 -14.221 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.222 1.421 -14.892 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.078 3.047 -12.533 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.489 2.202 -13.139 1.00 0.00 H new ATOM 683 N ALA A 46 -2.542 -0.804 -10.697 1.00 0.00 N ATOM 684 CA ALA A 46 -1.330 -0.739 -9.899 1.00 0.00 C ATOM 685 C ALA A 46 -0.136 -0.461 -10.815 1.00 0.00 C ATOM 686 O ALA A 46 0.899 0.025 -10.362 1.00 0.00 O ATOM 687 CB ALA A 46 -1.168 -2.039 -9.109 1.00 0.00 C ATOM 0 H ALA A 46 -2.944 -1.737 -10.787 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.389 0.076 -9.177 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.258 -1.990 -8.510 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.028 -2.175 -8.453 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.102 -2.879 -9.800 1.00 0.00 H new ATOM 693 N SER A 47 -0.320 -0.781 -12.088 1.00 0.00 N ATOM 694 CA SER A 47 0.729 -0.572 -13.071 1.00 0.00 C ATOM 695 C SER A 47 0.772 0.900 -13.485 1.00 0.00 C ATOM 696 O SER A 47 1.565 1.284 -14.344 1.00 0.00 O ATOM 697 CB SER A 47 0.519 -1.462 -14.298 1.00 0.00 C ATOM 698 OG SER A 47 0.504 -0.709 -15.508 1.00 0.00 O ATOM 0 H SER A 47 -1.180 -1.183 -12.461 1.00 0.00 H new ATOM 0 HA SER A 47 1.682 -0.844 -12.617 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.313 -2.208 -14.345 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.422 -2.003 -14.196 1.00 0.00 H new ATOM 0 HG SER A 47 1.204 -0.024 -15.476 1.00 0.00 H new ATOM 704 N CYS A 48 -0.089 1.685 -12.854 1.00 0.00 N ATOM 705 CA CYS A 48 -0.159 3.107 -13.146 1.00 0.00 C ATOM 706 C CYS A 48 0.092 3.876 -11.848 1.00 0.00 C ATOM 707 O CYS A 48 1.093 4.580 -11.723 1.00 0.00 O ATOM 708 CB CYS A 48 -1.495 3.488 -13.786 1.00 0.00 C ATOM 709 SG CYS A 48 -1.560 2.877 -15.510 1.00 0.00 S ATOM 0 H CYS A 48 -0.744 1.363 -12.142 1.00 0.00 H new ATOM 0 HA CYS A 48 0.606 3.369 -13.877 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.318 3.064 -13.210 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.620 4.571 -13.770 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.699 3.204 -16.044 1.00 0.00 H new ATOM 715 N MET A 49 -0.834 3.716 -10.914 1.00 0.00 N ATOM 716 CA MET A 49 -0.726 4.388 -9.630 1.00 0.00 C ATOM 717 C MET A 49 0.694 4.277 -9.072 1.00 0.00 C ATOM 718 O MET A 49 1.458 3.402 -9.476 1.00 0.00 O ATOM 719 CB MET A 49 -1.713 3.762 -8.642 1.00 0.00 C ATOM 720 CG MET A 49 -1.054 2.629 -7.853 1.00 0.00 C ATOM 721 SD MET A 49 -2.198 1.983 -6.644 1.00 0.00 S ATOM 722 CE MET A 49 -3.530 1.475 -7.718 1.00 0.00 C ATOM 0 H MET A 49 -1.663 3.131 -11.021 1.00 0.00 H new ATOM 0 HA MET A 49 -0.960 5.443 -9.772 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.078 4.525 -7.954 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.579 3.379 -9.181 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.742 1.835 -8.532 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.155 2.995 -7.357 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.234 0.859 -7.158 1.00 0.00 H new ATOM 0 HE2 MET A 49 -4.044 2.356 -8.102 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.126 0.899 -8.551 1.00 0.00 H new ATOM 732 N GLU A 50 1.006 5.178 -8.151 1.00 0.00 N ATOM 733 CA GLU A 50 2.321 5.193 -7.533 1.00 0.00 C ATOM 734 C GLU A 50 2.194 5.077 -6.013 1.00 0.00 C ATOM 735 O GLU A 50 1.133 5.345 -5.453 1.00 0.00 O ATOM 736 CB GLU A 50 3.096 6.453 -7.924 1.00 0.00 C ATOM 737 CG GLU A 50 4.545 6.116 -8.282 1.00 0.00 C ATOM 738 CD GLU A 50 4.615 5.304 -9.577 1.00 0.00 C ATOM 739 OE1 GLU A 50 4.084 5.805 -10.591 1.00 0.00 O ATOM 740 OE2 GLU A 50 5.199 4.200 -9.522 1.00 0.00 O ATOM 0 H GLU A 50 0.370 5.903 -7.818 1.00 0.00 H new ATOM 0 HA GLU A 50 2.883 4.333 -7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.610 6.934 -8.773 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.078 7.166 -7.100 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.119 7.036 -8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.002 5.552 -7.469 1.00 0.00 H new ATOM 747 N LEU A 51 3.292 4.677 -5.389 1.00 0.00 N ATOM 748 CA LEU A 51 3.318 4.522 -3.944 1.00 0.00 C ATOM 749 C LEU A 51 4.183 5.625 -3.333 1.00 0.00 C ATOM 750 O LEU A 51 4.991 6.241 -4.025 1.00 0.00 O ATOM 751 CB LEU A 51 3.765 3.108 -3.565 1.00 0.00 C ATOM 752 CG LEU A 51 2.768 1.987 -3.863 1.00 0.00 C ATOM 753 CD1 LEU A 51 3.279 0.644 -3.336 1.00 0.00 C ATOM 754 CD2 LEU A 51 1.380 2.327 -3.316 1.00 0.00 C ATOM 0 H LEU A 51 4.171 4.455 -5.857 1.00 0.00 H new ATOM 0 HA LEU A 51 2.316 4.636 -3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.695 2.889 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.990 3.093 -2.499 1.00 0.00 H new ATOM 0 HG LEU A 51 2.673 1.893 -4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.551 -0.136 -3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.229 0.403 -3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.422 0.707 -2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.691 1.513 -3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.438 2.465 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.021 3.246 -3.780 1.00 0.00 H new ATOM 766 N GLU A 52 3.983 5.842 -2.041 1.00 0.00 N ATOM 767 CA GLU A 52 4.734 6.861 -1.328 1.00 0.00 C ATOM 768 C GLU A 52 4.756 6.553 0.171 1.00 0.00 C ATOM 769 O GLU A 52 3.710 6.327 0.777 1.00 0.00 O ATOM 770 CB GLU A 52 4.159 8.253 -1.593 1.00 0.00 C ATOM 771 CG GLU A 52 4.191 8.584 -3.087 1.00 0.00 C ATOM 772 CD GLU A 52 3.841 10.054 -3.330 1.00 0.00 C ATOM 773 OE1 GLU A 52 2.820 10.496 -2.760 1.00 0.00 O ATOM 774 OE2 GLU A 52 4.602 10.702 -4.080 1.00 0.00 O ATOM 0 H GLU A 52 3.311 5.329 -1.470 1.00 0.00 H new ATOM 0 HA GLU A 52 5.760 6.852 -1.696 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.133 8.302 -1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.731 8.998 -1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.181 8.371 -3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.486 7.946 -3.620 1.00 0.00 H new ATOM 781 N LEU A 53 5.959 6.553 0.725 1.00 0.00 N ATOM 782 CA LEU A 53 6.131 6.277 2.141 1.00 0.00 C ATOM 783 C LEU A 53 6.329 7.595 2.893 1.00 0.00 C ATOM 784 O LEU A 53 7.371 8.236 2.766 1.00 0.00 O ATOM 785 CB LEU A 53 7.262 5.269 2.358 1.00 0.00 C ATOM 786 CG LEU A 53 7.884 5.249 3.755 1.00 0.00 C ATOM 787 CD1 LEU A 53 6.864 4.797 4.803 1.00 0.00 C ATOM 788 CD2 LEU A 53 9.149 4.389 3.779 1.00 0.00 C ATOM 0 H LEU A 53 6.825 6.740 0.219 1.00 0.00 H new ATOM 0 HA LEU A 53 5.235 5.808 2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.880 4.272 2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.050 5.476 1.634 1.00 0.00 H new ATOM 0 HG LEU A 53 8.181 6.266 4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.332 4.792 5.787 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.018 5.484 4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.515 3.793 4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.572 4.392 4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.900 3.367 3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.878 4.795 3.078 1.00 0.00 H new ATOM 800 N TYR A 54 5.313 7.960 3.661 1.00 0.00 N ATOM 801 CA TYR A 54 5.363 9.189 4.434 1.00 0.00 C ATOM 802 C TYR A 54 5.881 8.927 5.849 1.00 0.00 C ATOM 803 O TYR A 54 5.629 7.867 6.420 1.00 0.00 O ATOM 804 CB TYR A 54 3.921 9.694 4.517 1.00 0.00 C ATOM 805 CG TYR A 54 3.438 10.411 3.255 1.00 0.00 C ATOM 806 CD1 TYR A 54 3.567 9.802 2.023 1.00 0.00 C ATOM 807 CD2 TYR A 54 2.875 11.668 3.348 1.00 0.00 C ATOM 808 CE1 TYR A 54 3.114 10.478 0.835 1.00 0.00 C ATOM 809 CE2 TYR A 54 2.421 12.343 2.160 1.00 0.00 C ATOM 810 CZ TYR A 54 2.563 11.715 0.962 1.00 0.00 C ATOM 811 OH TYR A 54 2.134 12.353 -0.160 1.00 0.00 O ATOM 0 H TYR A 54 4.450 7.426 3.764 1.00 0.00 H new ATOM 0 HA TYR A 54 6.032 9.910 3.965 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.262 8.849 4.717 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.833 10.374 5.365 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.008 8.819 1.950 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.775 12.145 4.312 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.210 10.013 -0.135 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.978 13.326 2.219 1.00 0.00 H new ATOM 0 HH TYR A 54 2.327 11.800 -0.945 1.00 0.00 H new ATOM 821 N GLY A 55 6.596 9.911 6.374 1.00 0.00 N ATOM 822 CA GLY A 55 7.153 9.800 7.712 1.00 0.00 C ATOM 823 C GLY A 55 6.064 9.969 8.774 1.00 0.00 C ATOM 824 O GLY A 55 4.951 9.471 8.612 1.00 0.00 O ATOM 0 H GLY A 55 6.803 10.789 5.897 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.634 8.829 7.830 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.924 10.557 7.853 1.00 0.00 H new ATOM 828 N ALA A 56 6.424 10.673 9.837 1.00 0.00 N ATOM 829 CA ALA A 56 5.492 10.914 10.926 1.00 0.00 C ATOM 830 C ALA A 56 4.569 12.076 10.553 1.00 0.00 C ATOM 831 O ALA A 56 3.396 11.869 10.248 1.00 0.00 O ATOM 832 CB ALA A 56 6.271 11.179 12.216 1.00 0.00 C ATOM 0 H ALA A 56 7.348 11.084 9.968 1.00 0.00 H new ATOM 0 HA ALA A 56 4.867 10.038 11.097 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.572 11.360 13.033 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.889 10.313 12.452 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.908 12.054 12.083 1.00 0.00 H new ATOM 838 N ASP A 57 5.134 13.274 10.590 1.00 0.00 N ATOM 839 CA ASP A 57 4.377 14.469 10.261 1.00 0.00 C ATOM 840 C ASP A 57 4.184 14.544 8.745 1.00 0.00 C ATOM 841 O ASP A 57 4.578 15.522 8.112 1.00 0.00 O ATOM 842 CB ASP A 57 5.118 15.732 10.705 1.00 0.00 C ATOM 843 CG ASP A 57 4.235 16.965 10.903 1.00 0.00 C ATOM 844 OD1 ASP A 57 3.013 16.830 10.676 1.00 0.00 O ATOM 845 OD2 ASP A 57 4.801 18.015 11.277 1.00 0.00 O ATOM 0 H ASP A 57 6.108 13.442 10.843 1.00 0.00 H new ATOM 0 HA ASP A 57 3.419 14.413 10.778 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.636 15.521 11.641 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.882 15.966 9.964 1.00 0.00 H new ATOM 850 N ASP A 58 3.576 13.497 8.206 1.00 0.00 N ATOM 851 CA ASP A 58 3.326 13.431 6.776 1.00 0.00 C ATOM 852 C ASP A 58 4.533 13.996 6.025 1.00 0.00 C ATOM 853 O ASP A 58 4.480 15.111 5.508 1.00 0.00 O ATOM 854 CB ASP A 58 2.099 14.260 6.393 1.00 0.00 C ATOM 855 CG ASP A 58 1.996 15.620 7.087 1.00 0.00 C ATOM 856 OD1 ASP A 58 2.805 16.503 6.729 1.00 0.00 O ATOM 857 OD2 ASP A 58 1.109 15.746 7.959 1.00 0.00 O ATOM 0 H ASP A 58 3.249 12.688 8.734 1.00 0.00 H new ATOM 0 HA ASP A 58 3.153 12.388 6.511 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.109 14.419 5.315 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.203 13.683 6.622 1.00 0.00 H new ATOM 862 N LYS A 59 5.593 13.202 5.989 1.00 0.00 N ATOM 863 CA LYS A 59 6.811 13.609 5.309 1.00 0.00 C ATOM 864 C LYS A 59 7.261 12.493 4.365 1.00 0.00 C ATOM 865 O LYS A 59 7.885 11.525 4.796 1.00 0.00 O ATOM 866 CB LYS A 59 7.878 14.023 6.325 1.00 0.00 C ATOM 867 CG LYS A 59 7.928 15.545 6.478 1.00 0.00 C ATOM 868 CD LYS A 59 7.976 15.946 7.953 1.00 0.00 C ATOM 869 CE LYS A 59 9.225 16.776 8.255 1.00 0.00 C ATOM 870 NZ LYS A 59 9.565 16.697 9.694 1.00 0.00 N ATOM 0 H LYS A 59 5.634 12.278 6.420 1.00 0.00 H new ATOM 0 HA LYS A 59 6.628 14.491 4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.664 13.564 7.290 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.852 13.654 6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.804 15.937 5.962 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.053 15.991 6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.084 16.519 8.207 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.969 15.052 8.577 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.062 16.415 7.657 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.056 17.815 7.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.415 17.266 9.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.772 17.063 10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.747 15.707 9.954 1.00 0.00 H new ATOM 884 N PHE A 60 6.926 12.665 3.094 1.00 0.00 N ATOM 885 CA PHE A 60 7.288 11.684 2.085 1.00 0.00 C ATOM 886 C PHE A 60 8.778 11.345 2.160 1.00 0.00 C ATOM 887 O PHE A 60 9.613 12.232 2.332 1.00 0.00 O ATOM 888 CB PHE A 60 6.988 12.313 0.723 1.00 0.00 C ATOM 889 CG PHE A 60 7.701 11.631 -0.447 1.00 0.00 C ATOM 890 CD1 PHE A 60 9.047 11.760 -0.591 1.00 0.00 C ATOM 891 CD2 PHE A 60 6.988 10.897 -1.343 1.00 0.00 C ATOM 892 CE1 PHE A 60 9.708 11.127 -1.677 1.00 0.00 C ATOM 893 CE2 PHE A 60 7.649 10.265 -2.428 1.00 0.00 C ATOM 894 CZ PHE A 60 8.996 10.393 -2.573 1.00 0.00 C ATOM 0 H PHE A 60 6.408 13.469 2.740 1.00 0.00 H new ATOM 0 HA PHE A 60 6.725 10.764 2.241 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.913 12.281 0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.276 13.364 0.748 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.613 12.343 0.120 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.919 10.795 -1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.777 11.229 -1.791 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.083 9.682 -3.139 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.499 9.912 -3.399 1.00 0.00 H new ATOM 904 N TYR A 61 9.066 10.058 2.028 1.00 0.00 N ATOM 905 CA TYR A 61 10.441 9.591 2.079 1.00 0.00 C ATOM 906 C TYR A 61 10.864 8.985 0.739 1.00 0.00 C ATOM 907 O TYR A 61 11.520 9.645 -0.066 1.00 0.00 O ATOM 908 CB TYR A 61 10.476 8.500 3.152 1.00 0.00 C ATOM 909 CG TYR A 61 10.764 9.023 4.561 1.00 0.00 C ATOM 910 CD1 TYR A 61 10.652 10.372 4.832 1.00 0.00 C ATOM 911 CD2 TYR A 61 11.134 8.146 5.560 1.00 0.00 C ATOM 912 CE1 TYR A 61 10.923 10.864 6.159 1.00 0.00 C ATOM 913 CE2 TYR A 61 11.404 8.638 6.886 1.00 0.00 C ATOM 914 CZ TYR A 61 11.285 9.973 7.120 1.00 0.00 C ATOM 915 OH TYR A 61 11.540 10.437 8.372 1.00 0.00 O ATOM 0 H TYR A 61 8.371 9.325 1.886 1.00 0.00 H new ATOM 0 HA TYR A 61 11.119 10.416 2.299 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.519 7.979 3.157 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.237 7.766 2.885 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.362 11.058 4.050 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.221 7.091 5.347 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.840 11.917 6.385 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.694 7.963 7.677 1.00 0.00 H new ATOM 0 HH TYR A 61 11.786 9.688 8.955 1.00 0.00 H new ATOM 925 N SER A 62 10.471 7.735 0.541 1.00 0.00 N ATOM 926 CA SER A 62 10.801 7.033 -0.688 1.00 0.00 C ATOM 927 C SER A 62 9.524 6.515 -1.353 1.00 0.00 C ATOM 928 O SER A 62 8.469 6.461 -0.723 1.00 0.00 O ATOM 929 CB SER A 62 11.766 5.876 -0.419 1.00 0.00 C ATOM 930 OG SER A 62 13.115 6.227 -0.715 1.00 0.00 O ATOM 0 H SER A 62 9.927 7.191 1.211 1.00 0.00 H new ATOM 0 HA SER A 62 11.295 7.734 -1.361 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.690 5.576 0.626 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.475 5.014 -1.020 1.00 0.00 H new ATOM 0 HG SER A 62 13.700 5.463 -0.529 1.00 0.00 H new ATOM 936 N LYS A 63 9.662 6.147 -2.619 1.00 0.00 N ATOM 937 CA LYS A 63 8.533 5.636 -3.377 1.00 0.00 C ATOM 938 C LYS A 63 8.669 4.119 -3.525 1.00 0.00 C ATOM 939 O LYS A 63 9.735 3.620 -3.882 1.00 0.00 O ATOM 940 CB LYS A 63 8.404 6.375 -4.710 1.00 0.00 C ATOM 941 CG LYS A 63 8.814 7.842 -4.566 1.00 0.00 C ATOM 942 CD LYS A 63 10.337 7.989 -4.581 1.00 0.00 C ATOM 943 CE LYS A 63 10.762 9.200 -5.414 1.00 0.00 C ATOM 944 NZ LYS A 63 10.939 8.818 -6.832 1.00 0.00 N ATOM 0 H LYS A 63 10.539 6.193 -3.138 1.00 0.00 H new ATOM 0 HA LYS A 63 7.600 5.823 -2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.029 5.891 -5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.375 6.314 -5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.381 8.426 -5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.415 8.245 -3.635 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.706 8.097 -3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.789 7.085 -4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.010 9.985 -5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.693 9.609 -5.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.227 9.652 -7.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.672 8.084 -6.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.042 8.449 -7.207 1.00 0.00 H new ATOM 958 N LEU A 64 7.574 3.428 -3.244 1.00 0.00 N ATOM 959 CA LEU A 64 7.558 1.979 -3.341 1.00 0.00 C ATOM 960 C LEU A 64 7.362 1.572 -4.803 1.00 0.00 C ATOM 961 O LEU A 64 6.291 1.099 -5.181 1.00 0.00 O ATOM 962 CB LEU A 64 6.512 1.389 -2.393 1.00 0.00 C ATOM 963 CG LEU A 64 6.757 1.614 -0.900 1.00 0.00 C ATOM 964 CD1 LEU A 64 8.241 1.861 -0.619 1.00 0.00 C ATOM 965 CD2 LEU A 64 5.876 2.745 -0.364 1.00 0.00 C ATOM 0 H LEU A 64 6.691 3.845 -2.949 1.00 0.00 H new ATOM 0 HA LEU A 64 8.514 1.566 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.540 1.810 -2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.452 0.316 -2.573 1.00 0.00 H new ATOM 0 HG LEU A 64 6.475 0.706 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.388 2.018 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.821 0.997 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.572 2.745 -1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.070 2.884 0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.103 3.668 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.827 2.490 -0.511 1.00 0.00 H new ATOM 977 N ASP A 65 8.412 1.772 -5.586 1.00 0.00 N ATOM 978 CA ASP A 65 8.368 1.433 -6.998 1.00 0.00 C ATOM 979 C ASP A 65 8.907 0.014 -7.194 1.00 0.00 C ATOM 980 O ASP A 65 8.374 -0.751 -7.996 1.00 0.00 O ATOM 981 CB ASP A 65 9.237 2.387 -7.821 1.00 0.00 C ATOM 982 CG ASP A 65 9.294 2.080 -9.319 1.00 0.00 C ATOM 983 OD1 ASP A 65 9.721 0.953 -9.651 1.00 0.00 O ATOM 984 OD2 ASP A 65 8.909 2.979 -10.097 1.00 0.00 O ATOM 0 H ASP A 65 9.298 2.165 -5.269 1.00 0.00 H new ATOM 0 HA ASP A 65 7.333 1.510 -7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.863 3.402 -7.687 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.251 2.366 -7.422 1.00 0.00 H new ATOM 989 N GLN A 66 9.958 -0.294 -6.447 1.00 0.00 N ATOM 990 CA GLN A 66 10.574 -1.607 -6.529 1.00 0.00 C ATOM 991 C GLN A 66 9.511 -2.701 -6.413 1.00 0.00 C ATOM 992 O GLN A 66 8.851 -2.823 -5.383 1.00 0.00 O ATOM 993 CB GLN A 66 11.652 -1.774 -5.456 1.00 0.00 C ATOM 994 CG GLN A 66 12.552 -2.972 -5.765 1.00 0.00 C ATOM 995 CD GLN A 66 13.638 -2.596 -6.776 1.00 0.00 C ATOM 996 OE1 GLN A 66 13.829 -1.441 -7.119 1.00 0.00 O ATOM 997 NE2 GLN A 66 14.335 -3.633 -7.232 1.00 0.00 N ATOM 0 H GLN A 66 10.398 0.343 -5.783 1.00 0.00 H new ATOM 0 HA GLN A 66 11.057 -1.700 -7.501 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.255 -0.868 -5.397 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.182 -1.909 -4.482 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.015 -3.331 -4.845 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.951 -3.791 -6.160 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.123 -4.575 -6.903 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.082 -3.487 -7.911 1.00 0.00 H new ATOM 1006 N GLU A 67 9.378 -3.468 -7.485 1.00 0.00 N ATOM 1007 CA GLU A 67 8.407 -4.548 -7.517 1.00 0.00 C ATOM 1008 C GLU A 67 8.964 -5.785 -6.810 1.00 0.00 C ATOM 1009 O GLU A 67 8.226 -6.511 -6.146 1.00 0.00 O ATOM 1010 CB GLU A 67 7.998 -4.876 -8.954 1.00 0.00 C ATOM 1011 CG GLU A 67 7.523 -3.620 -9.689 1.00 0.00 C ATOM 1012 CD GLU A 67 6.378 -3.947 -10.650 1.00 0.00 C ATOM 1013 OE1 GLU A 67 6.581 -4.853 -11.487 1.00 0.00 O ATOM 1014 OE2 GLU A 67 5.326 -3.284 -10.525 1.00 0.00 O ATOM 0 H GLU A 67 9.927 -3.363 -8.338 1.00 0.00 H new ATOM 0 HA GLU A 67 7.513 -4.221 -6.985 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.843 -5.315 -9.485 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.203 -5.621 -8.948 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.194 -2.874 -8.966 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.354 -3.182 -10.243 1.00 0.00 H new ATOM 1021 N ASP A 68 10.263 -5.987 -6.976 1.00 0.00 N ATOM 1022 CA ASP A 68 10.928 -7.124 -6.362 1.00 0.00 C ATOM 1023 C ASP A 68 11.118 -6.853 -4.869 1.00 0.00 C ATOM 1024 O ASP A 68 11.604 -7.712 -4.135 1.00 0.00 O ATOM 1025 CB ASP A 68 12.309 -7.353 -6.980 1.00 0.00 C ATOM 1026 CG ASP A 68 12.419 -8.587 -7.878 1.00 0.00 C ATOM 1027 OD1 ASP A 68 11.367 -8.991 -8.418 1.00 0.00 O ATOM 1028 OD2 ASP A 68 13.553 -9.099 -8.003 1.00 0.00 O ATOM 0 H ASP A 68 10.873 -5.383 -7.527 1.00 0.00 H new ATOM 0 HA ASP A 68 10.308 -8.006 -6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.580 -6.473 -7.563 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.040 -7.441 -6.176 1.00 0.00 H new ATOM 1033 N ALA A 69 10.723 -5.655 -4.463 1.00 0.00 N ATOM 1034 CA ALA A 69 10.843 -5.260 -3.070 1.00 0.00 C ATOM 1035 C ALA A 69 9.713 -5.902 -2.263 1.00 0.00 C ATOM 1036 O ALA A 69 8.819 -6.529 -2.830 1.00 0.00 O ATOM 1037 CB ALA A 69 10.836 -3.733 -2.969 1.00 0.00 C ATOM 0 H ALA A 69 10.320 -4.945 -5.074 1.00 0.00 H new ATOM 0 HA ALA A 69 11.787 -5.610 -2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.926 -3.437 -1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.675 -3.327 -3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.902 -3.346 -3.377 1.00 0.00 H new ATOM 1043 N LEU A 70 9.789 -5.723 -0.952 1.00 0.00 N ATOM 1044 CA LEU A 70 8.784 -6.277 -0.062 1.00 0.00 C ATOM 1045 C LEU A 70 8.491 -5.275 1.057 1.00 0.00 C ATOM 1046 O LEU A 70 9.401 -4.619 1.561 1.00 0.00 O ATOM 1047 CB LEU A 70 9.216 -7.655 0.444 1.00 0.00 C ATOM 1048 CG LEU A 70 9.911 -8.557 -0.578 1.00 0.00 C ATOM 1049 CD1 LEU A 70 10.884 -9.517 0.110 1.00 0.00 C ATOM 1050 CD2 LEU A 70 8.888 -9.298 -1.441 1.00 0.00 C ATOM 0 H LEU A 70 10.531 -5.202 -0.485 1.00 0.00 H new ATOM 0 HA LEU A 70 7.849 -6.439 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.887 -7.515 1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.334 -8.175 0.818 1.00 0.00 H new ATOM 0 HG LEU A 70 10.499 -7.927 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.364 -10.147 -0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.643 -8.945 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.339 -10.144 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.409 -9.932 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.254 -9.915 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.271 -8.575 -1.975 1.00 0.00 H new ATOM 1062 N LEU A 71 7.218 -5.189 1.413 1.00 0.00 N ATOM 1063 CA LEU A 71 6.795 -4.279 2.463 1.00 0.00 C ATOM 1064 C LEU A 71 7.559 -4.599 3.749 1.00 0.00 C ATOM 1065 O LEU A 71 7.237 -5.561 4.444 1.00 0.00 O ATOM 1066 CB LEU A 71 5.274 -4.318 2.626 1.00 0.00 C ATOM 1067 CG LEU A 71 4.524 -3.041 2.241 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.012 -3.230 2.378 1.00 0.00 C ATOM 1069 CD2 LEU A 71 5.028 -1.845 3.050 1.00 0.00 C ATOM 0 H LEU A 71 6.466 -5.735 0.993 1.00 0.00 H new ATOM 0 HA LEU A 71 7.038 -3.251 2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.885 -5.139 2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.046 -4.550 3.666 1.00 0.00 H new ATOM 0 HG LEU A 71 4.727 -2.829 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.503 -2.308 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.685 -4.038 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.769 -3.480 3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.479 -0.950 2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.874 -2.034 4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.091 -1.698 2.858 1.00 0.00 H new ATOM 1081 N GLY A 72 8.557 -3.774 4.028 1.00 0.00 N ATOM 1082 CA GLY A 72 9.370 -3.957 5.218 1.00 0.00 C ATOM 1083 C GLY A 72 10.792 -3.437 4.996 1.00 0.00 C ATOM 1084 O GLY A 72 11.334 -2.722 5.838 1.00 0.00 O ATOM 0 H GLY A 72 8.821 -2.976 3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.914 -3.433 6.058 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.403 -5.014 5.482 1.00 0.00 H new ATOM 1088 N SER A 73 11.356 -3.815 3.859 1.00 0.00 N ATOM 1089 CA SER A 73 12.704 -3.396 3.516 1.00 0.00 C ATOM 1090 C SER A 73 12.794 -1.869 3.521 1.00 0.00 C ATOM 1091 O SER A 73 13.886 -1.308 3.601 1.00 0.00 O ATOM 1092 CB SER A 73 13.122 -3.948 2.151 1.00 0.00 C ATOM 1093 OG SER A 73 13.068 -2.952 1.133 1.00 0.00 O ATOM 0 H SER A 73 10.904 -4.407 3.163 1.00 0.00 H new ATOM 0 HA SER A 73 13.388 -3.797 4.264 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.135 -4.346 2.216 1.00 0.00 H new ATOM 0 HB3 SER A 73 12.470 -4.778 1.881 1.00 0.00 H new ATOM 0 HG SER A 73 13.344 -3.343 0.278 1.00 0.00 H new ATOM 1099 N TYR A 74 11.632 -1.239 3.434 1.00 0.00 N ATOM 1100 CA TYR A 74 11.566 0.213 3.427 1.00 0.00 C ATOM 1101 C TYR A 74 11.299 0.756 4.832 1.00 0.00 C ATOM 1102 O TYR A 74 10.923 0.005 5.731 1.00 0.00 O ATOM 1103 CB TYR A 74 10.389 0.577 2.520 1.00 0.00 C ATOM 1104 CG TYR A 74 10.694 0.455 1.026 1.00 0.00 C ATOM 1105 CD1 TYR A 74 11.488 1.398 0.404 1.00 0.00 C ATOM 1106 CD2 TYR A 74 10.176 -0.597 0.299 1.00 0.00 C ATOM 1107 CE1 TYR A 74 11.775 1.283 -1.002 1.00 0.00 C ATOM 1108 CE2 TYR A 74 10.463 -0.712 -1.107 1.00 0.00 C ATOM 1109 CZ TYR A 74 11.248 0.234 -1.688 1.00 0.00 C ATOM 1110 OH TYR A 74 11.519 0.125 -3.017 1.00 0.00 O ATOM 0 H TYR A 74 10.728 -1.707 3.368 1.00 0.00 H new ATOM 0 HA TYR A 74 12.508 0.639 3.081 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.544 -0.068 2.762 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.081 1.600 2.735 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.894 2.222 0.972 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.555 -1.335 0.785 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.395 2.013 -1.501 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.064 -1.531 -1.687 1.00 0.00 H new ATOM 0 HH TYR A 74 12.398 0.516 -3.205 1.00 0.00 H new ATOM 1120 N PRO A 75 11.509 2.091 4.982 1.00 0.00 N ATOM 1121 CA PRO A 75 11.295 2.743 6.262 1.00 0.00 C ATOM 1122 C PRO A 75 9.802 2.911 6.549 1.00 0.00 C ATOM 1123 O PRO A 75 9.337 4.020 6.810 1.00 0.00 O ATOM 1124 CB PRO A 75 12.033 4.068 6.157 1.00 0.00 C ATOM 1125 CG PRO A 75 12.239 4.314 4.671 1.00 0.00 C ATOM 1126 CD PRO A 75 11.955 3.012 3.940 1.00 0.00 C ATOM 0 HA PRO A 75 11.672 2.158 7.101 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.455 4.874 6.610 1.00 0.00 H new ATOM 0 HB3 PRO A 75 12.987 4.026 6.682 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.574 5.103 4.319 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.259 4.646 4.477 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.189 3.146 3.176 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.846 2.638 3.436 1.00 0.00 H new ATOM 1134 N VAL A 76 9.092 1.795 6.492 1.00 0.00 N ATOM 1135 CA VAL A 76 7.660 1.804 6.742 1.00 0.00 C ATOM 1136 C VAL A 76 7.354 0.927 7.958 1.00 0.00 C ATOM 1137 O VAL A 76 8.131 0.036 8.297 1.00 0.00 O ATOM 1138 CB VAL A 76 6.906 1.368 5.485 1.00 0.00 C ATOM 1139 CG1 VAL A 76 7.203 -0.094 5.146 1.00 0.00 C ATOM 1140 CG2 VAL A 76 5.402 1.600 5.639 1.00 0.00 C ATOM 0 H VAL A 76 9.481 0.877 6.276 1.00 0.00 H new ATOM 0 HA VAL A 76 7.319 2.813 6.975 1.00 0.00 H new ATOM 0 HB VAL A 76 7.256 1.982 4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.654 -0.378 4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.272 -0.217 4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.895 -0.730 5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.890 1.281 4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.030 1.024 6.486 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.213 2.660 5.809 1.00 0.00 H new ATOM 1150 N ASP A 77 6.218 1.209 8.580 1.00 0.00 N ATOM 1151 CA ASP A 77 5.799 0.456 9.750 1.00 0.00 C ATOM 1152 C ASP A 77 4.293 0.630 9.950 1.00 0.00 C ATOM 1153 O ASP A 77 3.685 1.528 9.369 1.00 0.00 O ATOM 1154 CB ASP A 77 6.505 0.961 11.011 1.00 0.00 C ATOM 1155 CG ASP A 77 6.513 -0.022 12.184 1.00 0.00 C ATOM 1156 OD1 ASP A 77 6.417 -1.237 11.907 1.00 0.00 O ATOM 1157 OD2 ASP A 77 6.617 0.464 13.330 1.00 0.00 O ATOM 0 H ASP A 77 5.575 1.948 8.296 1.00 0.00 H new ATOM 0 HA ASP A 77 6.055 -0.591 9.587 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.536 1.210 10.758 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.024 1.885 11.333 1.00 0.00 H new ATOM 1162 N ASP A 78 3.733 -0.244 10.774 1.00 0.00 N ATOM 1163 CA ASP A 78 2.308 -0.198 11.058 1.00 0.00 C ATOM 1164 C ASP A 78 1.964 1.146 11.703 1.00 0.00 C ATOM 1165 O ASP A 78 2.045 1.292 12.921 1.00 0.00 O ATOM 1166 CB ASP A 78 1.905 -1.307 12.032 1.00 0.00 C ATOM 1167 CG ASP A 78 2.852 -1.502 13.218 1.00 0.00 C ATOM 1168 OD1 ASP A 78 2.688 -0.751 14.204 1.00 0.00 O ATOM 1169 OD2 ASP A 78 3.718 -2.397 13.112 1.00 0.00 O ATOM 0 H ASP A 78 4.240 -0.988 11.254 1.00 0.00 H new ATOM 0 HA ASP A 78 1.772 -0.331 10.118 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.908 -1.089 12.415 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.837 -2.246 11.482 1.00 0.00 H new ATOM 1174 N GLY A 79 1.586 2.093 10.857 1.00 0.00 N ATOM 1175 CA GLY A 79 1.229 3.419 11.329 1.00 0.00 C ATOM 1176 C GLY A 79 1.548 4.481 10.275 1.00 0.00 C ATOM 1177 O GLY A 79 0.898 5.524 10.222 1.00 0.00 O ATOM 0 H GLY A 79 1.519 1.968 9.847 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.167 3.449 11.571 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.771 3.640 12.248 1.00 0.00 H new ATOM 1181 N CYS A 80 2.550 4.179 9.461 1.00 0.00 N ATOM 1182 CA CYS A 80 2.963 5.095 8.412 1.00 0.00 C ATOM 1183 C CYS A 80 1.765 5.346 7.494 1.00 0.00 C ATOM 1184 O CYS A 80 0.646 4.941 7.804 1.00 0.00 O ATOM 1185 CB CYS A 80 4.172 4.561 7.639 1.00 0.00 C ATOM 1186 SG CYS A 80 5.717 5.229 8.356 1.00 0.00 S ATOM 0 H CYS A 80 3.087 3.313 9.507 1.00 0.00 H new ATOM 0 HA CYS A 80 3.284 6.038 8.855 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.185 3.472 7.676 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.097 4.844 6.589 1.00 0.00 H new ATOM 0 HG CYS A 80 6.010 6.357 7.780 1.00 0.00 H new ATOM 1192 N ARG A 81 2.041 6.014 6.383 1.00 0.00 N ATOM 1193 CA ARG A 81 1.000 6.325 5.419 1.00 0.00 C ATOM 1194 C ARG A 81 1.480 6.011 4.000 1.00 0.00 C ATOM 1195 O ARG A 81 2.638 6.254 3.665 1.00 0.00 O ATOM 1196 CB ARG A 81 0.597 7.798 5.499 1.00 0.00 C ATOM 1197 CG ARG A 81 -0.791 8.021 4.894 1.00 0.00 C ATOM 1198 CD ARG A 81 -1.028 9.503 4.596 1.00 0.00 C ATOM 1199 NE ARG A 81 -1.526 10.189 5.809 1.00 0.00 N ATOM 1200 CZ ARG A 81 -0.735 10.673 6.776 1.00 0.00 C ATOM 1201 NH1 ARG A 81 0.596 10.549 6.678 1.00 0.00 N ATOM 1202 NH2 ARG A 81 -1.274 11.282 7.841 1.00 0.00 N ATOM 0 H ARG A 81 2.971 6.348 6.130 1.00 0.00 H new ATOM 0 HA ARG A 81 0.133 5.710 5.658 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.601 8.124 6.539 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.330 8.408 4.971 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.889 7.442 3.976 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.554 7.658 5.583 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.101 9.968 4.260 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.750 9.609 3.786 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.534 10.300 5.916 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.007 10.086 5.867 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.198 10.918 7.414 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.287 11.377 7.916 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.671 11.650 8.577 1.00 0.00 H new ATOM 1216 N ILE A 82 0.565 5.475 3.205 1.00 0.00 N ATOM 1217 CA ILE A 82 0.881 5.126 1.830 1.00 0.00 C ATOM 1218 C ILE A 82 -0.009 5.937 0.886 1.00 0.00 C ATOM 1219 O ILE A 82 -1.170 5.593 0.673 1.00 0.00 O ATOM 1220 CB ILE A 82 0.778 3.613 1.625 1.00 0.00 C ATOM 1221 CG1 ILE A 82 1.707 2.865 2.583 1.00 0.00 C ATOM 1222 CG2 ILE A 82 1.038 3.239 0.165 1.00 0.00 C ATOM 1223 CD1 ILE A 82 3.108 2.718 1.985 1.00 0.00 C ATOM 0 H ILE A 82 -0.395 5.274 3.487 1.00 0.00 H new ATOM 0 HA ILE A 82 1.914 5.386 1.597 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.241 3.305 1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.766 3.401 3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.295 1.879 2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.959 2.158 0.047 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.302 3.729 -0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.039 3.563 -0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.749 2.183 2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.048 2.161 1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.527 3.706 1.792 1.00 0.00 H new ATOM 1235 N HIS A 83 0.571 6.999 0.345 1.00 0.00 N ATOM 1236 CA HIS A 83 -0.154 7.861 -0.572 1.00 0.00 C ATOM 1237 C HIS A 83 -0.115 7.263 -1.980 1.00 0.00 C ATOM 1238 O HIS A 83 0.960 7.057 -2.541 1.00 0.00 O ATOM 1239 CB HIS A 83 0.390 9.290 -0.520 1.00 0.00 C ATOM 1240 CG HIS A 83 -0.464 10.300 -1.248 1.00 0.00 C ATOM 1241 ND1 HIS A 83 -1.524 10.957 -0.648 1.00 0.00 N ATOM 1242 CD2 HIS A 83 -0.403 10.759 -2.531 1.00 0.00 C ATOM 1243 CE1 HIS A 83 -2.070 11.771 -1.539 1.00 0.00 C ATOM 1244 NE2 HIS A 83 -1.374 11.646 -2.706 1.00 0.00 N ATOM 0 H HIS A 83 1.535 7.281 0.525 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.199 7.921 -0.269 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.485 9.594 0.522 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.393 9.302 -0.948 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.314 10.452 -3.278 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.917 12.420 -1.371 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.568 12.151 -3.571 1.00 0.00 H new ATOM 1252 N VAL A 84 -1.301 7.000 -2.510 1.00 0.00 N ATOM 1253 CA VAL A 84 -1.415 6.429 -3.841 1.00 0.00 C ATOM 1254 C VAL A 84 -1.696 7.547 -4.848 1.00 0.00 C ATOM 1255 O VAL A 84 -2.733 8.204 -4.779 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.484 5.334 -3.850 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -2.500 4.596 -5.191 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.280 4.359 -2.690 1.00 0.00 C ATOM 0 H VAL A 84 -2.191 7.172 -2.042 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.479 5.954 -4.135 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.455 5.812 -3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.268 3.823 -5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.716 5.302 -5.993 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.527 4.136 -5.365 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.053 3.591 -2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.300 3.891 -2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.342 4.899 -1.745 1.00 0.00 H new ATOM 1268 N ILE A 85 -0.752 7.728 -5.760 1.00 0.00 N ATOM 1269 CA ILE A 85 -0.885 8.754 -6.780 1.00 0.00 C ATOM 1270 C ILE A 85 -1.637 8.179 -7.982 1.00 0.00 C ATOM 1271 O ILE A 85 -1.068 7.430 -8.775 1.00 0.00 O ATOM 1272 CB ILE A 85 0.485 9.338 -7.134 1.00 0.00 C ATOM 1273 CG1 ILE A 85 1.196 9.864 -5.886 1.00 0.00 C ATOM 1274 CG2 ILE A 85 0.360 10.410 -8.218 1.00 0.00 C ATOM 1275 CD1 ILE A 85 2.713 9.865 -6.078 1.00 0.00 C ATOM 0 H ILE A 85 0.108 7.182 -5.814 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.476 9.590 -6.404 1.00 0.00 H new ATOM 0 HB ILE A 85 1.102 8.538 -7.542 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.853 10.875 -5.667 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.935 9.246 -5.027 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.347 10.809 -8.451 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.075 9.971 -9.116 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.281 11.216 -7.861 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.194 10.244 -5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.056 8.849 -6.273 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.972 10.503 -6.923 1.00 0.00 H new ATOM 1287 N ASP A 86 -2.905 8.551 -8.079 1.00 0.00 N ATOM 1288 CA ASP A 86 -3.741 8.082 -9.171 1.00 0.00 C ATOM 1289 C ASP A 86 -3.080 8.440 -10.504 1.00 0.00 C ATOM 1290 O ASP A 86 -3.194 9.571 -10.972 1.00 0.00 O ATOM 1291 CB ASP A 86 -5.119 8.745 -9.133 1.00 0.00 C ATOM 1292 CG ASP A 86 -5.143 10.154 -8.538 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -5.284 10.244 -7.299 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -5.021 11.109 -9.335 1.00 0.00 O ATOM 0 H ASP A 86 -3.374 9.172 -7.419 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.857 7.003 -9.068 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.512 8.789 -10.149 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.794 8.112 -8.557 1.00 0.00 H new ATOM 1299 N HIS A 87 -2.405 7.454 -11.076 1.00 0.00 N ATOM 1300 CA HIS A 87 -1.727 7.651 -12.346 1.00 0.00 C ATOM 1301 C HIS A 87 -2.624 7.170 -13.488 1.00 0.00 C ATOM 1302 O HIS A 87 -2.153 6.951 -14.603 1.00 0.00 O ATOM 1303 CB HIS A 87 -0.357 6.970 -12.341 1.00 0.00 C ATOM 1304 CG HIS A 87 0.802 7.923 -12.176 1.00 0.00 C ATOM 1305 ND1 HIS A 87 0.878 9.134 -12.842 1.00 0.00 N ATOM 1306 CD2 HIS A 87 1.931 7.831 -11.415 1.00 0.00 C ATOM 1307 CE1 HIS A 87 2.005 9.735 -12.490 1.00 0.00 C ATOM 1308 NE2 HIS A 87 2.656 8.926 -11.606 1.00 0.00 N ATOM 0 H HIS A 87 -2.313 6.517 -10.684 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.540 8.714 -12.501 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.330 6.238 -11.534 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.232 6.421 -13.274 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.191 7.007 -10.767 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.348 10.697 -12.841 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.553 9.129 -11.164 1.00 0.00 H new