USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 563 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 46 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 50 MET CE :methyl 177:sc= 0 (180deg=-0.0319) USER MOD Set 2.1: A 14 GLN : amide:sc= -0.0939 K(o=-0.68,f=-4.5!) USER MOD Set 2.2: A 45 HIS : no HD1:sc= -0.588 K(o=-0.68,f=-4.5!) USER MOD Set 3.1: A 18 GLN : amide:sc= 0 X(o=0.85,f=0.81) USER MOD Set 3.2: B 164 CYS SG : rot -47:sc= 0.849 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.48) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 MET CE :methyl -169:sc= 0 (180deg=-0.14) USER MOD Single : A 12 ASN : amide:sc= -0.769 K(o=-0.77,f=-2.9) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -72:sc= 1.2 USER MOD Single : A 20 GLN : amide:sc= -0.0253 X(o=-0.025,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.0127 X(o=-0.013,f=-0.35) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 26 GLN : amide:sc= -0.215 X(o=-0.21,f=0.24) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.44) USER MOD Single : A 34 GLN : amide:sc= 0.84 K(o=0.84,f=-0.48) USER MOD Single : A 35 GLN : amide:sc= -0.0218 X(o=-0.022,f=-0.4) USER MOD Single : A 40 GLN : amide:sc= -0.0181 K(o=-0.018,f=-0.59) USER MOD Single : A 42 GLN : amide:sc= -0.0995 K(o=-0.099,f=-0.96) USER MOD Single : A 44 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.0676 K(o=-0.068,f=-2!) USER MOD Single : A 48 GLN : amide:sc= -0.0825 X(o=-0.082,f=-0.4) USER MOD Single : A 49 TYR OH : rot 180:sc= 0.168 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 52 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.32) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : B 161 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 165 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : B 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N LYS A 4 7.081 2.179 7.515 1.00 25.00 N ATOM 54 CA LYS A 4 7.109 3.187 8.577 1.00 25.00 C ATOM 55 C LYS A 4 8.050 4.346 8.237 1.00 25.00 C ATOM 56 O LYS A 4 7.767 5.477 8.586 1.00 25.00 O ATOM 57 CB LYS A 4 7.551 2.529 9.904 1.00 25.00 C ATOM 58 CG LYS A 4 7.716 3.493 11.074 1.00 25.00 C ATOM 59 CD LYS A 4 8.156 2.797 12.350 1.00 25.00 C ATOM 60 CE LYS A 4 8.264 3.810 13.491 1.00 25.00 C ATOM 61 NZ LYS A 4 8.767 3.186 14.777 1.00 25.00 N ATOM 0 HA LYS A 4 6.103 3.594 8.678 1.00 25.00 H new ATOM 0 HB2 LYS A 4 6.818 1.770 10.178 1.00 25.00 H new ATOM 0 HB3 LYS A 4 8.498 2.014 9.740 1.00 25.00 H new ATOM 0 HG2 LYS A 4 8.448 4.256 10.810 1.00 25.00 H new ATOM 0 HG3 LYS A 4 6.771 4.006 11.252 1.00 25.00 H new ATOM 0 HD2 LYS A 4 7.442 2.017 12.613 1.00 25.00 H new ATOM 0 HD3 LYS A 4 9.118 2.309 12.194 1.00 25.00 H new ATOM 0 HE2 LYS A 4 8.936 4.615 13.195 1.00 25.00 H new ATOM 0 HE3 LYS A 4 7.287 4.259 13.667 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 8.822 3.914 15.518 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 8.113 2.435 15.077 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 9.712 2.780 14.620 1.00 25.00 H new ATOM 75 N GLN A 5 9.167 4.062 7.592 1.00 25.00 N ATOM 76 CA GLN A 5 10.171 5.093 7.301 1.00 25.00 C ATOM 77 C GLN A 5 9.633 6.176 6.384 1.00 25.00 C ATOM 78 O GLN A 5 9.900 7.339 6.626 1.00 25.00 O ATOM 79 CB GLN A 5 11.431 4.483 6.655 1.00 25.00 C ATOM 80 CG GLN A 5 12.477 3.983 7.661 1.00 25.00 C ATOM 81 CD GLN A 5 13.058 5.099 8.521 1.00 25.00 C ATOM 82 OE1 GLN A 5 13.281 6.195 8.049 1.00 25.00 O ATOM 83 NE2 GLN A 5 13.275 4.815 9.780 1.00 25.00 N ATOM 0 H GLN A 5 9.410 3.130 7.256 1.00 25.00 H new ATOM 0 HA GLN A 5 10.428 5.540 8.261 1.00 25.00 H new ATOM 0 HB2 GLN A 5 11.132 3.652 6.016 1.00 25.00 H new ATOM 0 HB3 GLN A 5 11.893 5.231 6.010 1.00 25.00 H new ATOM 0 HG2 GLN A 5 12.021 3.233 8.308 1.00 25.00 H new ATOM 0 HG3 GLN A 5 13.285 3.490 7.121 1.00 25.00 H new ATOM 0 HE21 GLN A 5 13.073 3.880 10.134 1.00 25.00 H new ATOM 0 HE22 GLN A 5 13.646 5.529 10.407 1.00 25.00 H new ATOM 92 N GLN A 6 8.868 5.836 5.352 1.00 25.00 N ATOM 93 CA GLN A 6 8.331 6.890 4.456 1.00 25.00 C ATOM 94 C GLN A 6 7.382 7.817 5.221 1.00 25.00 C ATOM 95 O GLN A 6 7.363 9.017 4.991 1.00 25.00 O ATOM 96 CB GLN A 6 7.638 6.303 3.222 1.00 25.00 C ATOM 97 CG GLN A 6 6.408 5.468 3.521 1.00 25.00 C ATOM 98 CD GLN A 6 5.735 4.940 2.276 1.00 25.00 C ATOM 99 OE1 GLN A 6 6.203 4.003 1.660 1.00 25.00 O ATOM 100 NE2 GLN A 6 4.607 5.503 1.933 1.00 25.00 N ATOM 0 H GLN A 6 8.605 4.881 5.109 1.00 25.00 H new ATOM 0 HA GLN A 6 9.180 7.473 4.100 1.00 25.00 H new ATOM 0 HB2 GLN A 6 7.353 7.120 2.559 1.00 25.00 H new ATOM 0 HB3 GLN A 6 8.355 5.687 2.679 1.00 25.00 H new ATOM 0 HG2 GLN A 6 6.691 4.630 4.158 1.00 25.00 H new ATOM 0 HG3 GLN A 6 5.695 6.070 4.085 1.00 25.00 H new ATOM 0 HE21 GLN A 6 4.244 6.288 2.473 1.00 25.00 H new ATOM 0 HE22 GLN A 6 4.090 5.157 1.125 1.00 25.00 H new ATOM 109 N ILE A 7 6.644 7.258 6.181 1.00 25.00 N ATOM 110 CA ILE A 7 5.761 8.063 7.022 1.00 25.00 C ATOM 111 C ILE A 7 6.610 9.004 7.850 1.00 25.00 C ATOM 112 O ILE A 7 6.358 10.192 7.874 1.00 25.00 O ATOM 113 CB ILE A 7 4.910 7.191 7.992 1.00 25.00 C ATOM 114 CG1 ILE A 7 4.165 6.076 7.249 1.00 25.00 C ATOM 115 CG2 ILE A 7 3.944 8.074 8.776 1.00 25.00 C ATOM 116 CD1 ILE A 7 3.254 6.489 6.124 1.00 25.00 C ATOM 0 H ILE A 7 6.640 6.260 6.393 1.00 25.00 H new ATOM 0 HA ILE A 7 5.078 8.603 6.366 1.00 25.00 H new ATOM 0 HB ILE A 7 5.587 6.705 8.694 1.00 25.00 H new ATOM 0 HG12 ILE A 7 4.905 5.384 6.848 1.00 25.00 H new ATOM 0 HG13 ILE A 7 3.573 5.522 7.977 1.00 25.00 H new ATOM 0 HG21 ILE A 7 3.353 7.456 9.452 1.00 25.00 H new ATOM 0 HG22 ILE A 7 4.508 8.806 9.354 1.00 25.00 H new ATOM 0 HG23 ILE A 7 3.280 8.591 8.083 1.00 25.00 H new ATOM 0 HD11 ILE A 7 2.792 5.604 5.687 1.00 25.00 H new ATOM 0 HD12 ILE A 7 2.478 7.151 6.508 1.00 25.00 H new ATOM 0 HD13 ILE A 7 3.831 7.011 5.361 1.00 25.00 H new ATOM 128 N MET A 8 7.606 8.471 8.547 1.00 25.00 N ATOM 129 CA MET A 8 8.425 9.294 9.415 1.00 25.00 C ATOM 130 C MET A 8 9.117 10.401 8.633 1.00 25.00 C ATOM 131 O MET A 8 9.187 11.515 9.114 1.00 25.00 O ATOM 132 CB MET A 8 9.442 8.454 10.174 1.00 25.00 C ATOM 133 CG MET A 8 8.806 7.462 11.136 1.00 25.00 C ATOM 134 SD MET A 8 9.951 6.889 12.368 1.00 25.00 S ATOM 135 CE MET A 8 9.679 8.121 13.618 1.00 25.00 C ATOM 0 H MET A 8 7.861 7.484 8.526 1.00 25.00 H new ATOM 0 HA MET A 8 7.762 9.760 10.144 1.00 25.00 H new ATOM 0 HB2 MET A 8 10.060 7.911 9.459 1.00 25.00 H new ATOM 0 HB3 MET A 8 10.106 9.115 10.731 1.00 25.00 H new ATOM 0 HG2 MET A 8 7.953 7.931 11.626 1.00 25.00 H new ATOM 0 HG3 MET A 8 8.423 6.610 10.575 1.00 25.00 H new ATOM 0 HE1 MET A 8 10.449 8.037 14.385 1.00 25.00 H new ATOM 0 HE2 MET A 8 9.722 9.112 13.167 1.00 25.00 H new ATOM 0 HE3 MET A 8 8.699 7.970 14.070 1.00 25.00 H new ATOM 145 N ALA A 9 9.578 10.121 7.417 1.00 25.00 N ATOM 146 CA ALA A 9 10.212 11.147 6.606 1.00 25.00 C ATOM 147 C ALA A 9 9.215 12.284 6.318 1.00 25.00 C ATOM 148 O ALA A 9 9.571 13.467 6.362 1.00 25.00 O ATOM 149 CB ALA A 9 10.735 10.522 5.301 1.00 25.00 C ATOM 0 H ALA A 9 9.524 9.202 6.978 1.00 25.00 H new ATOM 0 HA ALA A 9 11.057 11.571 7.148 1.00 25.00 H new ATOM 0 HB1 ALA A 9 11.210 11.292 4.694 1.00 25.00 H new ATOM 0 HB2 ALA A 9 11.462 9.745 5.536 1.00 25.00 H new ATOM 0 HB3 ALA A 9 9.903 10.085 4.748 1.00 25.00 H new ATOM 155 N ALA A 10 7.971 11.928 6.024 1.00 25.00 N ATOM 156 CA ALA A 10 6.961 12.915 5.686 1.00 25.00 C ATOM 157 C ALA A 10 6.608 13.754 6.914 1.00 25.00 C ATOM 158 O ALA A 10 6.491 14.976 6.862 1.00 25.00 O ATOM 159 CB ALA A 10 5.735 12.199 5.137 1.00 25.00 C ATOM 0 H ALA A 10 7.640 10.963 6.014 1.00 25.00 H new ATOM 0 HA ALA A 10 7.345 13.593 4.924 1.00 25.00 H new ATOM 0 HB1 ALA A 10 4.970 12.932 4.880 1.00 25.00 H new ATOM 0 HB2 ALA A 10 6.011 11.635 4.246 1.00 25.00 H new ATOM 0 HB3 ALA A 10 5.344 11.516 5.891 1.00 25.00 H new ATOM 165 N LEU A 11 6.465 13.075 8.035 1.00 25.00 N ATOM 166 CA LEU A 11 6.132 13.706 9.297 1.00 25.00 C ATOM 167 C LEU A 11 7.214 14.652 9.747 1.00 25.00 C ATOM 168 O LEU A 11 6.933 15.729 10.290 1.00 25.00 O ATOM 169 CB LEU A 11 5.942 12.647 10.373 1.00 25.00 C ATOM 170 CG LEU A 11 4.732 11.722 10.274 1.00 25.00 C ATOM 171 CD1 LEU A 11 4.583 10.960 11.573 1.00 25.00 C ATOM 172 CD2 LEU A 11 3.486 12.435 9.971 1.00 25.00 C ATOM 0 H LEU A 11 6.577 12.063 8.096 1.00 25.00 H new ATOM 0 HA LEU A 11 5.211 14.269 9.145 1.00 25.00 H new ATOM 0 HB2 LEU A 11 6.836 12.024 10.387 1.00 25.00 H new ATOM 0 HB3 LEU A 11 5.893 13.156 11.335 1.00 25.00 H new ATOM 0 HG LEU A 11 4.912 11.040 9.443 1.00 25.00 H new ATOM 0 HD11 LEU A 11 3.720 10.297 11.509 1.00 25.00 H new ATOM 0 HD12 LEU A 11 5.481 10.370 11.754 1.00 25.00 H new ATOM 0 HD13 LEU A 11 4.440 11.664 12.393 1.00 25.00 H new ATOM 0 HD21 LEU A 11 2.663 11.722 9.914 1.00 25.00 H new ATOM 0 HD22 LEU A 11 3.282 13.162 10.757 1.00 25.00 H new ATOM 0 HD23 LEU A 11 3.585 12.952 9.016 1.00 25.00 H new ATOM 184 N ASN A 12 8.452 14.232 9.562 1.00 25.00 N ATOM 185 CA ASN A 12 9.596 15.032 9.973 1.00 25.00 C ATOM 186 C ASN A 12 9.683 16.292 9.130 1.00 25.00 C ATOM 187 O ASN A 12 10.125 17.314 9.603 1.00 25.00 O ATOM 188 CB ASN A 12 10.888 14.228 9.823 1.00 25.00 C ATOM 189 CG ASN A 12 10.949 13.045 10.750 1.00 25.00 C ATOM 190 OD1 ASN A 12 10.184 12.955 11.689 1.00 25.00 O ATOM 191 ND2 ASN A 12 11.887 12.164 10.521 1.00 25.00 N ATOM 0 H ASN A 12 8.693 13.340 9.129 1.00 25.00 H new ATOM 0 HA ASN A 12 9.466 15.307 11.020 1.00 25.00 H new ATOM 0 HB2 ASN A 12 10.978 13.882 8.793 1.00 25.00 H new ATOM 0 HB3 ASN A 12 11.740 14.879 10.016 1.00 25.00 H new ATOM 0 HD21 ASN A 12 11.997 11.363 11.143 1.00 25.00 H new ATOM 0 HD22 ASN A 12 12.509 12.277 9.720 1.00 25.00 H new ATOM 198 N SER A 13 9.253 16.221 7.884 1.00 25.00 N ATOM 199 CA SER A 13 9.330 17.367 6.986 1.00 25.00 C ATOM 200 C SER A 13 8.352 18.464 7.394 1.00 25.00 C ATOM 201 O SER A 13 8.731 19.616 7.576 1.00 25.00 O ATOM 202 CB SER A 13 9.032 16.931 5.551 1.00 25.00 C ATOM 203 OG SER A 13 9.206 18.008 4.656 1.00 25.00 O ATOM 0 H SER A 13 8.846 15.384 7.467 1.00 25.00 H new ATOM 0 HA SER A 13 10.342 17.768 7.049 1.00 25.00 H new ATOM 0 HB2 SER A 13 9.691 16.109 5.271 1.00 25.00 H new ATOM 0 HB3 SER A 13 8.010 16.557 5.484 1.00 25.00 H new ATOM 0 HG SER A 13 9.012 17.709 3.743 1.00 25.00 H new ATOM 209 N GLN A 14 7.085 18.110 7.585 1.00 25.00 N ATOM 210 CA GLN A 14 6.079 19.119 7.909 1.00 25.00 C ATOM 211 C GLN A 14 6.214 19.682 9.332 1.00 25.00 C ATOM 212 O GLN A 14 5.553 20.656 9.689 1.00 25.00 O ATOM 213 CB GLN A 14 4.671 18.556 7.701 1.00 25.00 C ATOM 214 CG GLN A 14 4.397 17.241 8.434 1.00 25.00 C ATOM 215 CD GLN A 14 3.075 17.255 9.198 1.00 25.00 C ATOM 216 OE1 GLN A 14 3.037 16.916 10.372 1.00 25.00 O ATOM 217 NE2 GLN A 14 2.016 17.663 8.558 1.00 25.00 N ATOM 0 H GLN A 14 6.734 17.154 7.523 1.00 25.00 H new ATOM 0 HA GLN A 14 6.252 19.950 7.226 1.00 25.00 H new ATOM 0 HB2 GLN A 14 3.944 19.299 8.030 1.00 25.00 H new ATOM 0 HB3 GLN A 14 4.509 18.403 6.634 1.00 25.00 H new ATOM 0 HG2 GLN A 14 4.386 16.424 7.713 1.00 25.00 H new ATOM 0 HG3 GLN A 14 5.212 17.041 9.130 1.00 25.00 H new ATOM 0 HE21 GLN A 14 2.087 17.938 7.578 1.00 25.00 H new ATOM 0 HE22 GLN A 14 1.116 17.708 9.037 1.00 25.00 H new ATOM 226 N THR A 15 7.076 19.077 10.141 1.00 25.00 N ATOM 227 CA THR A 15 7.300 19.536 11.503 1.00 25.00 C ATOM 228 C THR A 15 8.738 19.924 11.754 1.00 25.00 C ATOM 229 O THR A 15 9.131 20.145 12.897 1.00 25.00 O ATOM 230 CB THR A 15 6.886 18.480 12.523 1.00 25.00 C ATOM 231 OG1 THR A 15 7.648 17.292 12.312 1.00 25.00 O ATOM 232 CG2 THR A 15 5.453 18.166 12.401 1.00 25.00 C ATOM 0 H THR A 15 7.632 18.265 9.874 1.00 25.00 H new ATOM 0 HA THR A 15 6.678 20.423 11.623 1.00 25.00 H new ATOM 0 HB THR A 15 7.073 18.873 13.522 1.00 25.00 H new ATOM 0 HG1 THR A 15 7.349 16.854 11.488 1.00 25.00 H new ATOM 0 HG21 THR A 15 5.182 17.411 13.139 1.00 25.00 H new ATOM 0 HG22 THR A 15 4.867 19.069 12.574 1.00 25.00 H new ATOM 0 HG23 THR A 15 5.248 17.786 11.400 1.00 25.00 H new ATOM 240 N ALA A 16 9.518 20.021 10.688 1.00 25.00 N ATOM 241 CA ALA A 16 10.937 20.323 10.821 1.00 25.00 C ATOM 242 C ALA A 16 11.139 21.612 11.600 1.00 25.00 C ATOM 243 O ALA A 16 11.884 21.651 12.556 1.00 25.00 O ATOM 244 CB ALA A 16 11.581 20.433 9.423 1.00 25.00 C ATOM 0 H ALA A 16 9.197 19.896 9.728 1.00 25.00 H new ATOM 0 HA ALA A 16 11.418 19.514 11.371 1.00 25.00 H new ATOM 0 HB1 ALA A 16 12.642 20.659 9.528 1.00 25.00 H new ATOM 0 HB2 ALA A 16 11.462 19.488 8.892 1.00 25.00 H new ATOM 0 HB3 ALA A 16 11.094 21.229 8.860 1.00 25.00 H new ATOM 250 N VAL A 17 10.489 22.679 11.178 1.00 25.00 N ATOM 251 CA VAL A 17 10.667 23.972 11.829 1.00 25.00 C ATOM 252 C VAL A 17 9.998 23.968 13.203 1.00 25.00 C ATOM 253 O VAL A 17 10.523 24.533 14.139 1.00 25.00 O ATOM 254 CB VAL A 17 10.153 25.138 10.933 1.00 25.00 C ATOM 255 CG1 VAL A 17 8.629 25.072 10.660 1.00 25.00 C ATOM 256 CG2 VAL A 17 10.520 26.513 11.527 1.00 25.00 C ATOM 0 H VAL A 17 9.837 22.682 10.394 1.00 25.00 H new ATOM 0 HA VAL A 17 11.734 24.141 11.976 1.00 25.00 H new ATOM 0 HB VAL A 17 10.660 25.015 9.976 1.00 25.00 H new ATOM 0 HG11 VAL A 17 8.335 25.912 10.031 1.00 25.00 H new ATOM 0 HG12 VAL A 17 8.390 24.137 10.152 1.00 25.00 H new ATOM 0 HG13 VAL A 17 8.088 25.120 11.605 1.00 25.00 H new ATOM 0 HG21 VAL A 17 10.146 27.303 10.875 1.00 25.00 H new ATOM 0 HG22 VAL A 17 10.071 26.614 12.515 1.00 25.00 H new ATOM 0 HG23 VAL A 17 11.604 26.596 11.611 1.00 25.00 H new ATOM 266 N GLN A 18 8.868 23.287 13.330 1.00 25.00 N ATOM 267 CA GLN A 18 8.133 23.261 14.599 1.00 25.00 C ATOM 268 C GLN A 18 8.953 22.604 15.712 1.00 25.00 C ATOM 269 O GLN A 18 9.032 23.123 16.822 1.00 25.00 O ATOM 270 CB GLN A 18 6.804 22.525 14.436 1.00 25.00 C ATOM 271 CG GLN A 18 5.915 23.108 13.321 1.00 25.00 C ATOM 272 CD GLN A 18 4.467 22.659 13.453 1.00 25.00 C ATOM 273 OE1 GLN A 18 3.824 22.920 14.446 1.00 25.00 O ATOM 274 NE2 GLN A 18 3.982 21.955 12.474 1.00 25.00 N ATOM 0 H GLN A 18 8.438 22.747 12.579 1.00 25.00 H new ATOM 0 HA GLN A 18 7.940 24.296 14.882 1.00 25.00 H new ATOM 0 HB2 GLN A 18 7.003 21.475 14.221 1.00 25.00 H new ATOM 0 HB3 GLN A 18 6.260 22.559 15.380 1.00 25.00 H new ATOM 0 HG2 GLN A 18 5.961 24.197 13.352 1.00 25.00 H new ATOM 0 HG3 GLN A 18 6.303 22.800 12.350 1.00 25.00 H new ATOM 0 HE21 GLN A 18 4.556 21.757 11.655 1.00 25.00 H new ATOM 0 HE22 GLN A 18 3.027 21.600 12.525 1.00 25.00 H new ATOM 283 N PHE A 19 9.603 21.493 15.403 1.00 25.00 N ATOM 284 CA PHE A 19 10.419 20.815 16.396 1.00 25.00 C ATOM 285 C PHE A 19 11.713 21.575 16.622 1.00 25.00 C ATOM 286 O PHE A 19 12.187 21.661 17.747 1.00 25.00 O ATOM 287 CB PHE A 19 10.733 19.380 15.958 1.00 25.00 C ATOM 288 CG PHE A 19 9.537 18.451 15.955 1.00 25.00 C ATOM 289 CD1 PHE A 19 8.386 18.721 16.732 1.00 25.00 C ATOM 290 CD2 PHE A 19 9.574 17.266 15.187 1.00 25.00 C ATOM 291 CE1 PHE A 19 7.294 17.826 16.743 1.00 25.00 C ATOM 292 CE2 PHE A 19 8.495 16.361 15.193 1.00 25.00 C ATOM 293 CZ PHE A 19 7.351 16.640 15.976 1.00 25.00 C ATOM 0 H PHE A 19 9.582 21.047 14.486 1.00 25.00 H new ATOM 0 HA PHE A 19 9.855 20.780 17.328 1.00 25.00 H new ATOM 0 HB2 PHE A 19 11.161 19.404 14.956 1.00 25.00 H new ATOM 0 HB3 PHE A 19 11.495 18.969 16.620 1.00 25.00 H new ATOM 0 HD1 PHE A 19 8.342 19.623 17.324 1.00 25.00 H new ATOM 0 HD2 PHE A 19 10.444 17.050 14.585 1.00 25.00 H new ATOM 0 HE1 PHE A 19 6.418 18.047 17.335 1.00 25.00 H new ATOM 0 HE2 PHE A 19 8.541 15.458 14.602 1.00 25.00 H new ATOM 0 HZ PHE A 19 6.522 15.948 15.988 1.00 25.00 H new ATOM 303 N GLN A 20 12.269 22.163 15.565 1.00 25.00 N ATOM 304 CA GLN A 20 13.484 22.972 15.687 1.00 25.00 C ATOM 305 C GLN A 20 13.251 24.217 16.573 1.00 25.00 C ATOM 306 O GLN A 20 14.096 24.529 17.403 1.00 25.00 O ATOM 307 CB GLN A 20 13.960 23.416 14.305 1.00 25.00 C ATOM 308 CG GLN A 20 14.803 22.375 13.597 1.00 25.00 C ATOM 309 CD GLN A 20 15.257 22.823 12.233 1.00 25.00 C ATOM 310 OE1 GLN A 20 16.416 23.144 12.040 1.00 25.00 O ATOM 311 NE2 GLN A 20 14.355 22.835 11.291 1.00 25.00 N ATOM 0 H GLN A 20 11.900 22.096 14.616 1.00 25.00 H new ATOM 0 HA GLN A 20 14.246 22.352 16.160 1.00 25.00 H new ATOM 0 HB2 GLN A 20 13.093 23.651 13.688 1.00 25.00 H new ATOM 0 HB3 GLN A 20 14.538 24.334 14.406 1.00 25.00 H new ATOM 0 HG2 GLN A 20 15.676 22.144 14.208 1.00 25.00 H new ATOM 0 HG3 GLN A 20 14.229 21.454 13.500 1.00 25.00 H new ATOM 0 HE21 GLN A 20 13.396 22.558 11.500 1.00 25.00 H new ATOM 0 HE22 GLN A 20 14.609 23.122 10.346 1.00 25.00 H new ATOM 320 N GLN A 21 12.103 24.886 16.446 1.00 25.00 N ATOM 321 CA GLN A 21 11.818 26.070 17.249 1.00 25.00 C ATOM 322 C GLN A 21 11.663 25.706 18.712 1.00 25.00 C ATOM 323 O GLN A 21 12.133 26.436 19.590 1.00 25.00 O ATOM 324 CB GLN A 21 10.540 26.747 16.749 1.00 25.00 C ATOM 325 CG GLN A 21 10.697 27.515 15.422 1.00 25.00 C ATOM 326 CD GLN A 21 9.368 28.010 14.877 1.00 25.00 C ATOM 327 OE1 GLN A 21 8.399 27.287 14.849 1.00 25.00 O ATOM 328 NE2 GLN A 21 9.342 29.238 14.429 1.00 25.00 N ATOM 0 H GLN A 21 11.360 24.627 15.797 1.00 25.00 H new ATOM 0 HA GLN A 21 12.657 26.759 17.149 1.00 25.00 H new ATOM 0 HB2 GLN A 21 9.767 25.988 16.625 1.00 25.00 H new ATOM 0 HB3 GLN A 21 10.188 27.439 17.514 1.00 25.00 H new ATOM 0 HG2 GLN A 21 11.363 28.364 15.574 1.00 25.00 H new ATOM 0 HG3 GLN A 21 11.170 26.867 14.684 1.00 25.00 H new ATOM 0 HE21 GLN A 21 10.183 29.814 14.472 1.00 25.00 H new ATOM 0 HE22 GLN A 21 8.481 29.620 14.037 1.00 25.00 H new ATOM 337 N TYR A 22 11.034 24.585 19.000 1.00 25.00 N ATOM 338 CA TYR A 22 10.908 24.148 20.385 1.00 25.00 C ATOM 339 C TYR A 22 12.243 23.695 20.970 1.00 25.00 C ATOM 340 O TYR A 22 12.584 24.034 22.104 1.00 25.00 O ATOM 341 CB TYR A 22 9.900 23.003 20.506 1.00 25.00 C ATOM 342 CG TYR A 22 9.828 22.472 21.931 1.00 25.00 C ATOM 343 CD1 TYR A 22 9.472 23.325 22.999 1.00 25.00 C ATOM 344 CD2 TYR A 22 10.165 21.140 22.220 1.00 25.00 C ATOM 345 CE1 TYR A 22 9.457 22.839 24.336 1.00 25.00 C ATOM 346 CE2 TYR A 22 10.138 20.664 23.551 1.00 25.00 C ATOM 347 CZ TYR A 22 9.782 21.520 24.596 1.00 25.00 C ATOM 348 OH TYR A 22 9.760 21.039 25.886 1.00 25.00 O ATOM 0 H TYR A 22 10.607 23.966 18.311 1.00 25.00 H new ATOM 0 HA TYR A 22 10.558 25.012 20.950 1.00 25.00 H new ATOM 0 HB2 TYR A 22 8.914 23.350 20.196 1.00 25.00 H new ATOM 0 HB3 TYR A 22 10.181 22.196 19.830 1.00 25.00 H new ATOM 0 HD1 TYR A 22 9.209 24.353 22.799 1.00 25.00 H new ATOM 0 HD2 TYR A 22 10.447 20.473 21.419 1.00 25.00 H new ATOM 0 HE1 TYR A 22 9.192 23.500 25.148 1.00 25.00 H new ATOM 0 HE2 TYR A 22 10.393 19.636 23.760 1.00 25.00 H new ATOM 0 HH TYR A 22 10.014 20.092 25.887 1.00 25.00 H new ATOM 358 N ALA A 23 13.020 22.954 20.202 1.00 25.00 N ATOM 359 CA ALA A 23 14.324 22.512 20.671 1.00 25.00 C ATOM 360 C ALA A 23 15.238 23.722 20.954 1.00 25.00 C ATOM 361 O ALA A 23 16.023 23.711 21.887 1.00 25.00 O ATOM 362 CB ALA A 23 14.948 21.580 19.647 1.00 25.00 C ATOM 0 H ALA A 23 12.776 22.647 19.260 1.00 25.00 H new ATOM 0 HA ALA A 23 14.201 21.966 21.606 1.00 25.00 H new ATOM 0 HB1 ALA A 23 15.925 21.251 20.002 1.00 25.00 H new ATOM 0 HB2 ALA A 23 14.303 20.713 19.504 1.00 25.00 H new ATOM 0 HB3 ALA A 23 15.065 22.106 18.700 1.00 25.00 H new ATOM 368 N ALA A 24 15.101 24.776 20.160 1.00 25.00 N ATOM 369 CA ALA A 24 15.872 26.012 20.348 1.00 25.00 C ATOM 370 C ALA A 24 15.443 26.750 21.619 1.00 25.00 C ATOM 371 O ALA A 24 16.236 27.437 22.232 1.00 25.00 O ATOM 372 CB ALA A 24 15.708 26.914 19.106 1.00 25.00 C ATOM 0 H ALA A 24 14.457 24.805 19.369 1.00 25.00 H new ATOM 0 HA ALA A 24 16.924 25.752 20.466 1.00 25.00 H new ATOM 0 HB1 ALA A 24 16.280 27.832 19.245 1.00 25.00 H new ATOM 0 HB2 ALA A 24 16.074 26.388 18.224 1.00 25.00 H new ATOM 0 HB3 ALA A 24 14.655 27.160 18.971 1.00 25.00 H new ATOM 378 N GLN A 25 14.204 26.562 22.041 1.00 25.00 N ATOM 379 CA GLN A 25 13.749 27.174 23.293 1.00 25.00 C ATOM 380 C GLN A 25 14.378 26.461 24.457 1.00 25.00 C ATOM 381 O GLN A 25 14.776 27.074 25.436 1.00 25.00 O ATOM 382 CB GLN A 25 12.231 27.063 23.462 1.00 25.00 C ATOM 383 CG GLN A 25 11.462 27.965 22.547 1.00 25.00 C ATOM 384 CD GLN A 25 10.000 27.600 22.429 1.00 25.00 C ATOM 385 OE1 GLN A 25 9.453 26.870 23.234 1.00 25.00 O ATOM 386 NE2 GLN A 25 9.361 28.105 21.420 1.00 25.00 N ATOM 0 H GLN A 25 13.503 26.004 21.553 1.00 25.00 H new ATOM 0 HA GLN A 25 14.035 28.225 23.259 1.00 25.00 H new ATOM 0 HB2 GLN A 25 11.928 26.032 23.282 1.00 25.00 H new ATOM 0 HB3 GLN A 25 11.970 27.297 24.494 1.00 25.00 H new ATOM 0 HG2 GLN A 25 11.544 28.990 22.907 1.00 25.00 H new ATOM 0 HG3 GLN A 25 11.916 27.938 21.557 1.00 25.00 H new ATOM 0 HE21 GLN A 25 9.847 28.714 20.762 1.00 25.00 H new ATOM 0 HE22 GLN A 25 8.372 27.893 21.285 1.00 25.00 H new ATOM 395 N GLN A 26 14.446 25.143 24.354 1.00 25.00 N ATOM 396 CA GLN A 26 14.922 24.361 25.474 1.00 25.00 C ATOM 397 C GLN A 26 16.444 24.301 25.560 1.00 25.00 C ATOM 398 O GLN A 26 17.010 24.304 26.638 1.00 25.00 O ATOM 399 CB GLN A 26 14.377 22.932 25.401 1.00 25.00 C ATOM 400 CG GLN A 26 12.862 22.830 25.489 1.00 25.00 C ATOM 401 CD GLN A 26 12.259 23.558 26.695 1.00 25.00 C ATOM 402 OE1 GLN A 26 11.240 24.214 26.569 1.00 25.00 O ATOM 403 NE2 GLN A 26 12.867 23.415 27.855 1.00 25.00 N ATOM 0 H GLN A 26 14.184 24.607 23.527 1.00 25.00 H new ATOM 0 HA GLN A 26 14.557 24.866 26.368 1.00 25.00 H new ATOM 0 HB2 GLN A 26 14.705 22.479 24.466 1.00 25.00 H new ATOM 0 HB3 GLN A 26 14.816 22.348 26.210 1.00 25.00 H new ATOM 0 HG2 GLN A 26 12.427 23.237 24.576 1.00 25.00 H new ATOM 0 HG3 GLN A 26 12.581 21.778 25.534 1.00 25.00 H new ATOM 0 HE21 GLN A 26 13.719 22.857 27.919 1.00 25.00 H new ATOM 0 HE22 GLN A 26 12.486 23.862 28.689 1.00 25.00 H new ATOM 412 N TYR A 27 17.092 24.233 24.404 1.00 25.00 N ATOM 413 CA TYR A 27 18.542 24.132 24.319 1.00 25.00 C ATOM 414 C TYR A 27 19.068 25.139 23.302 1.00 25.00 C ATOM 415 O TYR A 27 19.538 24.744 22.226 1.00 25.00 O ATOM 416 CB TYR A 27 18.946 22.720 23.898 1.00 25.00 C ATOM 417 CG TYR A 27 18.350 21.662 24.785 1.00 25.00 C ATOM 418 CD1 TYR A 27 18.821 21.456 26.093 1.00 25.00 C ATOM 419 CD2 TYR A 27 17.273 20.871 24.327 1.00 25.00 C ATOM 420 CE1 TYR A 27 18.217 20.473 26.931 1.00 25.00 C ATOM 421 CE2 TYR A 27 16.677 19.901 25.156 1.00 25.00 C ATOM 422 CZ TYR A 27 17.151 19.710 26.443 1.00 25.00 C ATOM 423 OH TYR A 27 16.560 18.790 27.254 1.00 25.00 O ATOM 0 H TYR A 27 16.625 24.246 23.497 1.00 25.00 H new ATOM 0 HA TYR A 27 18.970 24.347 25.298 1.00 25.00 H new ATOM 0 HB2 TYR A 27 18.631 22.547 22.869 1.00 25.00 H new ATOM 0 HB3 TYR A 27 20.033 22.636 23.917 1.00 25.00 H new ATOM 0 HD1 TYR A 27 19.645 22.046 26.466 1.00 25.00 H new ATOM 0 HD2 TYR A 27 16.900 21.013 23.323 1.00 25.00 H new ATOM 0 HE1 TYR A 27 18.580 20.319 27.936 1.00 25.00 H new ATOM 0 HE2 TYR A 27 15.853 19.308 24.789 1.00 25.00 H new ATOM 0 HH TYR A 27 15.835 18.344 26.768 1.00 25.00 H new ATOM 433 N PRO A 28 18.966 26.441 23.601 1.00 25.00 N ATOM 434 CA PRO A 28 19.445 27.370 22.573 1.00 25.00 C ATOM 435 C PRO A 28 20.927 27.192 22.289 1.00 25.00 C ATOM 436 O PRO A 28 21.718 26.921 23.183 1.00 25.00 O ATOM 437 CB PRO A 28 19.146 28.733 23.178 1.00 25.00 C ATOM 438 CG PRO A 28 19.048 28.498 24.656 1.00 25.00 C ATOM 439 CD PRO A 28 18.436 27.149 24.787 1.00 25.00 C ATOM 0 HA PRO A 28 18.966 27.216 21.606 1.00 25.00 H new ATOM 0 HB2 PRO A 28 19.935 29.448 22.945 1.00 25.00 H new ATOM 0 HB3 PRO A 28 18.217 29.143 22.783 1.00 25.00 H new ATOM 0 HG2 PRO A 28 20.030 28.534 25.128 1.00 25.00 H new ATOM 0 HG3 PRO A 28 18.434 29.259 25.138 1.00 25.00 H new ATOM 0 HD2 PRO A 28 18.728 26.659 25.716 1.00 25.00 H new ATOM 0 HD3 PRO A 28 17.347 27.195 24.779 1.00 25.00 H new ATOM 447 N GLY A 29 21.287 27.288 21.015 1.00 25.00 N ATOM 448 CA GLY A 29 22.668 27.174 20.595 1.00 25.00 C ATOM 449 C GLY A 29 23.238 25.764 20.518 1.00 25.00 C ATOM 450 O GLY A 29 24.147 25.516 19.746 1.00 25.00 O ATOM 0 H GLY A 29 20.630 27.446 20.251 1.00 25.00 H new ATOM 0 HA2 GLY A 29 22.766 27.636 19.613 1.00 25.00 H new ATOM 0 HA3 GLY A 29 23.283 27.754 21.283 1.00 25.00 H new ATOM 454 N ASN A 30 22.708 24.832 21.302 1.00 25.00 N ATOM 455 CA ASN A 30 23.332 23.511 21.383 1.00 25.00 C ATOM 456 C ASN A 30 22.713 22.584 20.352 1.00 25.00 C ATOM 457 O ASN A 30 21.767 21.855 20.629 1.00 25.00 O ATOM 458 CB ASN A 30 23.185 22.930 22.790 1.00 25.00 C ATOM 459 CG ASN A 30 23.942 23.700 23.826 1.00 25.00 C ATOM 460 OD1 ASN A 30 24.911 24.342 23.531 1.00 25.00 O ATOM 461 ND2 ASN A 30 23.536 23.591 25.044 1.00 25.00 N ATOM 0 H ASN A 30 21.874 24.956 21.875 1.00 25.00 H new ATOM 0 HA ASN A 30 24.396 23.611 21.171 1.00 25.00 H new ATOM 0 HB2 ASN A 30 22.129 22.911 23.060 1.00 25.00 H new ATOM 0 HB3 ASN A 30 23.532 21.897 22.788 1.00 25.00 H new ATOM 0 HD21 ASN A 30 24.043 24.060 25.795 1.00 25.00 H new ATOM 0 HD22 ASN A 30 22.707 23.036 25.258 1.00 25.00 H new ATOM 468 N TYR A 31 23.262 22.637 19.150 1.00 25.00 N ATOM 469 CA TYR A 31 22.784 21.838 18.016 1.00 25.00 C ATOM 470 C TYR A 31 22.610 20.353 18.344 1.00 25.00 C ATOM 471 O TYR A 31 21.578 19.780 18.019 1.00 25.00 O ATOM 472 CB TYR A 31 23.774 21.984 16.862 1.00 25.00 C ATOM 473 CG TYR A 31 23.502 21.033 15.700 1.00 25.00 C ATOM 474 CD1 TYR A 31 22.568 21.376 14.698 1.00 25.00 C ATOM 475 CD2 TYR A 31 24.164 19.801 15.606 1.00 25.00 C ATOM 476 CE1 TYR A 31 22.303 20.494 13.616 1.00 25.00 C ATOM 477 CE2 TYR A 31 23.911 18.921 14.526 1.00 25.00 C ATOM 478 CZ TYR A 31 22.973 19.271 13.543 1.00 25.00 C ATOM 479 OH TYR A 31 22.715 18.406 12.492 1.00 25.00 O ATOM 0 H TYR A 31 24.056 23.236 18.924 1.00 25.00 H new ATOM 0 HA TYR A 31 21.797 22.217 17.750 1.00 25.00 H new ATOM 0 HB2 TYR A 31 23.743 23.010 16.496 1.00 25.00 H new ATOM 0 HB3 TYR A 31 24.783 21.809 17.235 1.00 25.00 H new ATOM 0 HD1 TYR A 31 22.048 22.321 14.755 1.00 25.00 H new ATOM 0 HD2 TYR A 31 24.876 19.519 16.367 1.00 25.00 H new ATOM 0 HE1 TYR A 31 21.588 20.768 12.855 1.00 25.00 H new ATOM 0 HE2 TYR A 31 24.439 17.981 14.459 1.00 25.00 H new ATOM 0 HH TYR A 31 23.264 17.600 12.589 1.00 25.00 H new ATOM 489 N GLU A 32 23.573 19.716 18.987 1.00 25.00 N ATOM 490 CA GLU A 32 23.442 18.301 19.298 1.00 25.00 C ATOM 491 C GLU A 32 22.273 18.025 20.256 1.00 25.00 C ATOM 492 O GLU A 32 21.447 17.142 19.996 1.00 25.00 O ATOM 493 CB GLU A 32 24.748 17.789 19.866 1.00 25.00 C ATOM 494 CG GLU A 32 24.771 16.283 19.996 1.00 25.00 C ATOM 495 CD GLU A 32 26.076 15.764 20.572 1.00 25.00 C ATOM 496 OE1 GLU A 32 26.978 16.586 20.856 1.00 25.00 O ATOM 497 OE2 GLU A 32 26.200 14.530 20.728 1.00 25.00 O ATOM 0 H GLU A 32 24.443 20.147 19.301 1.00 25.00 H new ATOM 0 HA GLU A 32 23.216 17.766 18.375 1.00 25.00 H new ATOM 0 HB2 GLU A 32 25.569 18.108 19.224 1.00 25.00 H new ATOM 0 HB3 GLU A 32 24.916 18.238 20.845 1.00 25.00 H new ATOM 0 HG2 GLU A 32 23.946 15.965 20.633 1.00 25.00 H new ATOM 0 HG3 GLU A 32 24.608 15.835 19.016 1.00 25.00 H new ATOM 504 N GLN A 33 22.151 18.811 21.320 1.00 25.00 N ATOM 505 CA GLN A 33 21.047 18.645 22.255 1.00 25.00 C ATOM 506 C GLN A 33 19.718 18.858 21.551 1.00 25.00 C ATOM 507 O GLN A 33 18.723 18.171 21.839 1.00 25.00 O ATOM 508 CB GLN A 33 21.184 19.623 23.416 1.00 25.00 C ATOM 509 CG GLN A 33 21.824 19.031 24.685 1.00 25.00 C ATOM 510 CD GLN A 33 21.175 17.723 25.123 1.00 25.00 C ATOM 511 OE1 GLN A 33 21.843 16.716 25.295 1.00 25.00 O ATOM 512 NE2 GLN A 33 19.876 17.721 25.248 1.00 25.00 N ATOM 0 H GLN A 33 22.798 19.564 21.555 1.00 25.00 H new ATOM 0 HA GLN A 33 21.078 17.628 22.645 1.00 25.00 H new ATOM 0 HB2 GLN A 33 21.781 20.474 23.088 1.00 25.00 H new ATOM 0 HB3 GLN A 33 20.195 20.006 23.669 1.00 25.00 H new ATOM 0 HG2 GLN A 33 22.886 18.861 24.505 1.00 25.00 H new ATOM 0 HG3 GLN A 33 21.750 19.756 25.495 1.00 25.00 H new ATOM 0 HE21 GLN A 33 19.348 18.580 25.097 1.00 25.00 H new ATOM 0 HE22 GLN A 33 19.389 16.860 25.497 1.00 25.00 H new ATOM 521 N GLN A 34 19.699 19.787 20.613 1.00 25.00 N ATOM 522 CA GLN A 34 18.504 20.056 19.834 1.00 25.00 C ATOM 523 C GLN A 34 18.144 18.816 19.000 1.00 25.00 C ATOM 524 O GLN A 34 16.998 18.408 18.974 1.00 25.00 O ATOM 525 CB GLN A 34 18.724 21.283 18.931 1.00 25.00 C ATOM 526 CG GLN A 34 18.673 22.617 19.651 1.00 25.00 C ATOM 527 CD GLN A 34 19.165 23.741 18.753 1.00 25.00 C ATOM 528 OE1 GLN A 34 19.063 23.665 17.544 1.00 25.00 O ATOM 529 NE2 GLN A 34 19.719 24.761 19.330 1.00 25.00 N ATOM 0 H GLN A 34 20.500 20.370 20.371 1.00 25.00 H new ATOM 0 HA GLN A 34 17.674 20.277 20.506 1.00 25.00 H new ATOM 0 HB2 GLN A 34 19.693 21.187 18.440 1.00 25.00 H new ATOM 0 HB3 GLN A 34 17.968 21.280 18.146 1.00 25.00 H new ATOM 0 HG2 GLN A 34 17.651 22.823 19.970 1.00 25.00 H new ATOM 0 HG3 GLN A 34 19.286 22.572 20.551 1.00 25.00 H new ATOM 0 HE21 GLN A 34 19.790 24.795 20.347 1.00 25.00 H new ATOM 0 HE22 GLN A 34 20.084 25.529 18.767 1.00 25.00 H new ATOM 538 N GLN A 35 19.126 18.198 18.353 1.00 25.00 N ATOM 539 CA GLN A 35 18.870 17.019 17.512 1.00 25.00 C ATOM 540 C GLN A 35 18.328 15.847 18.328 1.00 25.00 C ATOM 541 O GLN A 35 17.457 15.108 17.877 1.00 25.00 O ATOM 542 CB GLN A 35 20.167 16.589 16.846 1.00 25.00 C ATOM 543 CG GLN A 35 20.681 17.544 15.788 1.00 25.00 C ATOM 544 CD GLN A 35 19.821 17.575 14.554 1.00 25.00 C ATOM 545 OE1 GLN A 35 19.447 16.544 14.011 1.00 25.00 O ATOM 546 NE2 GLN A 35 19.495 18.760 14.100 1.00 25.00 N ATOM 0 H GLN A 35 20.104 18.486 18.390 1.00 25.00 H new ATOM 0 HA GLN A 35 18.122 17.295 16.769 1.00 25.00 H new ATOM 0 HB2 GLN A 35 20.932 16.472 17.613 1.00 25.00 H new ATOM 0 HB3 GLN A 35 20.019 15.610 16.391 1.00 25.00 H new ATOM 0 HG2 GLN A 35 20.738 18.548 16.210 1.00 25.00 H new ATOM 0 HG3 GLN A 35 21.695 17.257 15.510 1.00 25.00 H new ATOM 0 HE21 GLN A 35 19.825 19.598 14.579 1.00 25.00 H new ATOM 0 HE22 GLN A 35 18.911 18.844 13.268 1.00 25.00 H new ATOM 555 N ILE A 36 18.863 15.668 19.520 1.00 25.00 N ATOM 556 CA ILE A 36 18.423 14.598 20.418 1.00 25.00 C ATOM 557 C ILE A 36 16.976 14.837 20.844 1.00 25.00 C ATOM 558 O ILE A 36 16.163 13.905 20.820 1.00 25.00 O ATOM 559 CB ILE A 36 19.344 14.545 21.688 1.00 25.00 C ATOM 560 CG1 ILE A 36 20.776 14.166 21.293 1.00 25.00 C ATOM 561 CG2 ILE A 36 18.795 13.541 22.715 1.00 25.00 C ATOM 562 CD1 ILE A 36 21.851 14.616 22.295 1.00 25.00 C ATOM 0 H ILE A 36 19.610 16.251 19.899 1.00 25.00 H new ATOM 0 HA ILE A 36 18.490 13.647 19.889 1.00 25.00 H new ATOM 0 HB ILE A 36 19.355 15.535 22.144 1.00 25.00 H new ATOM 0 HG12 ILE A 36 20.834 13.084 21.178 1.00 25.00 H new ATOM 0 HG13 ILE A 36 20.999 14.602 20.319 1.00 25.00 H new ATOM 0 HG21 ILE A 36 19.448 13.519 23.588 1.00 25.00 H new ATOM 0 HG22 ILE A 36 17.793 13.843 23.019 1.00 25.00 H new ATOM 0 HG23 ILE A 36 18.755 12.548 22.267 1.00 25.00 H new ATOM 0 HD11 ILE A 36 22.833 14.307 21.938 1.00 25.00 H new ATOM 0 HD12 ILE A 36 21.825 15.701 22.393 1.00 25.00 H new ATOM 0 HD13 ILE A 36 21.658 14.159 23.266 1.00 25.00 H new ATOM 574 N LEU A 37 16.613 16.071 21.172 1.00 25.00 N ATOM 575 CA LEU A 37 15.237 16.379 21.510 1.00 25.00 C ATOM 576 C LEU A 37 14.333 16.150 20.303 1.00 25.00 C ATOM 577 O LEU A 37 13.274 15.544 20.424 1.00 25.00 O ATOM 578 CB LEU A 37 15.126 17.815 22.048 1.00 25.00 C ATOM 579 CG LEU A 37 13.697 18.329 22.364 1.00 25.00 C ATOM 580 CD1 LEU A 37 12.922 17.409 23.318 1.00 25.00 C ATOM 581 CD2 LEU A 37 13.779 19.726 22.986 1.00 25.00 C ATOM 0 H LEU A 37 17.250 16.867 21.210 1.00 25.00 H new ATOM 0 HA LEU A 37 14.904 15.708 22.302 1.00 25.00 H new ATOM 0 HB2 LEU A 37 15.722 17.885 22.958 1.00 25.00 H new ATOM 0 HB3 LEU A 37 15.577 18.488 21.319 1.00 25.00 H new ATOM 0 HG LEU A 37 13.157 18.350 21.417 1.00 25.00 H new ATOM 0 HD11 LEU A 37 11.931 17.824 23.499 1.00 25.00 H new ATOM 0 HD12 LEU A 37 12.825 16.420 22.871 1.00 25.00 H new ATOM 0 HD13 LEU A 37 13.460 17.329 24.263 1.00 25.00 H new ATOM 0 HD21 LEU A 37 12.774 20.085 23.207 1.00 25.00 H new ATOM 0 HD22 LEU A 37 14.359 19.680 23.908 1.00 25.00 H new ATOM 0 HD23 LEU A 37 14.262 20.408 22.286 1.00 25.00 H new ATOM 593 N ILE A 38 14.765 16.597 19.139 1.00 25.00 N ATOM 594 CA ILE A 38 13.978 16.426 17.911 1.00 25.00 C ATOM 595 C ILE A 38 13.733 14.937 17.677 1.00 25.00 C ATOM 596 O ILE A 38 12.632 14.566 17.333 1.00 25.00 O ATOM 597 CB ILE A 38 14.669 17.113 16.683 1.00 25.00 C ATOM 598 CG1 ILE A 38 14.624 18.647 16.859 1.00 25.00 C ATOM 599 CG2 ILE A 38 13.957 16.737 15.362 1.00 25.00 C ATOM 600 CD1 ILE A 38 15.610 19.419 15.996 1.00 25.00 C ATOM 0 H ILE A 38 15.653 17.081 19.008 1.00 25.00 H new ATOM 0 HA ILE A 38 13.015 16.922 18.029 1.00 25.00 H new ATOM 0 HB ILE A 38 15.701 16.767 16.635 1.00 25.00 H new ATOM 0 HG12 ILE A 38 13.616 18.995 16.633 1.00 25.00 H new ATOM 0 HG13 ILE A 38 14.816 18.884 17.905 1.00 25.00 H new ATOM 0 HG21 ILE A 38 14.457 17.227 14.527 1.00 25.00 H new ATOM 0 HG22 ILE A 38 13.994 15.656 15.223 1.00 25.00 H new ATOM 0 HG23 ILE A 38 12.917 17.062 15.404 1.00 25.00 H new ATOM 0 HD11 ILE A 38 15.504 20.487 16.189 1.00 25.00 H new ATOM 0 HD12 ILE A 38 16.626 19.106 16.236 1.00 25.00 H new ATOM 0 HD13 ILE A 38 15.407 19.218 14.944 1.00 25.00 H new ATOM 612 N ARG A 39 14.722 14.080 17.907 1.00 25.00 N ATOM 613 CA ARG A 39 14.522 12.636 17.724 1.00 25.00 C ATOM 614 C ARG A 39 13.379 12.102 18.595 1.00 25.00 C ATOM 615 O ARG A 39 12.527 11.359 18.127 1.00 25.00 O ATOM 616 CB ARG A 39 15.798 11.864 18.037 1.00 25.00 C ATOM 617 CG ARG A 39 16.800 11.897 16.902 1.00 25.00 C ATOM 618 CD ARG A 39 18.161 11.373 17.323 1.00 25.00 C ATOM 619 NE ARG A 39 19.041 11.069 16.175 1.00 25.00 N ATOM 620 CZ ARG A 39 19.643 11.968 15.397 1.00 25.00 C ATOM 621 NH1 ARG A 39 19.464 13.251 15.546 1.00 25.00 N ATOM 622 NH2 ARG A 39 20.433 11.568 14.451 1.00 25.00 N ATOM 0 H ARG A 39 15.657 14.348 18.215 1.00 25.00 H new ATOM 0 HA ARG A 39 14.256 12.487 16.677 1.00 25.00 H new ATOM 0 HB2 ARG A 39 16.258 12.280 18.933 1.00 25.00 H new ATOM 0 HB3 ARG A 39 15.544 10.828 18.261 1.00 25.00 H new ATOM 0 HG2 ARG A 39 16.424 11.301 16.071 1.00 25.00 H new ATOM 0 HG3 ARG A 39 16.903 12.920 16.540 1.00 25.00 H new ATOM 0 HD2 ARG A 39 18.647 12.111 17.961 1.00 25.00 H new ATOM 0 HD3 ARG A 39 18.028 10.472 17.921 1.00 25.00 H new ATOM 0 HE ARG A 39 19.202 10.085 15.959 1.00 25.00 H new ATOM 0 HH11 ARG A 39 18.845 13.598 16.279 1.00 25.00 H new ATOM 0 HH12 ARG A 39 19.943 13.908 14.930 1.00 25.00 H new ATOM 0 HH21 ARG A 39 20.591 10.571 14.306 1.00 25.00 H new ATOM 0 HH22 ARG A 39 20.897 12.250 13.852 1.00 25.00 H new ATOM 636 N GLN A 40 13.343 12.503 19.861 1.00 25.00 N ATOM 637 CA GLN A 40 12.275 12.068 20.765 1.00 25.00 C ATOM 638 C GLN A 40 10.928 12.570 20.253 1.00 25.00 C ATOM 639 O GLN A 40 9.938 11.839 20.213 1.00 25.00 O ATOM 640 CB GLN A 40 12.492 12.625 22.180 1.00 25.00 C ATOM 641 CG GLN A 40 13.739 12.113 22.884 1.00 25.00 C ATOM 642 CD GLN A 40 13.648 10.638 23.248 1.00 25.00 C ATOM 643 OE1 GLN A 40 12.602 10.125 23.592 1.00 25.00 O ATOM 644 NE2 GLN A 40 14.779 9.964 23.210 1.00 25.00 N ATOM 0 H GLN A 40 14.033 13.123 20.285 1.00 25.00 H new ATOM 0 HA GLN A 40 12.289 10.979 20.799 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.545 13.712 22.123 1.00 25.00 H new ATOM 0 HB3 GLN A 40 11.622 12.380 22.789 1.00 25.00 H new ATOM 0 HG2 GLN A 40 14.604 12.271 22.240 1.00 25.00 H new ATOM 0 HG3 GLN A 40 13.905 12.696 23.790 1.00 25.00 H new ATOM 0 HE21 GLN A 40 15.639 10.427 22.916 1.00 25.00 H new ATOM 0 HE22 GLN A 40 14.795 8.979 23.475 1.00 25.00 H new ATOM 653 N LEU A 41 10.895 13.821 19.817 1.00 25.00 N ATOM 654 CA LEU A 41 9.671 14.410 19.278 1.00 25.00 C ATOM 655 C LEU A 41 9.195 13.701 18.020 1.00 25.00 C ATOM 656 O LEU A 41 8.011 13.518 17.843 1.00 25.00 O ATOM 657 CB LEU A 41 9.889 15.897 18.949 1.00 25.00 C ATOM 658 CG LEU A 41 10.196 16.836 20.112 1.00 25.00 C ATOM 659 CD1 LEU A 41 10.620 18.201 19.605 1.00 25.00 C ATOM 660 CD2 LEU A 41 9.018 16.973 21.019 1.00 25.00 C ATOM 0 H LEU A 41 11.699 14.449 19.825 1.00 25.00 H new ATOM 0 HA LEU A 41 8.908 14.299 20.048 1.00 25.00 H new ATOM 0 HB2 LEU A 41 10.709 15.967 18.234 1.00 25.00 H new ATOM 0 HB3 LEU A 41 8.995 16.265 18.446 1.00 25.00 H new ATOM 0 HG LEU A 41 11.019 16.400 20.678 1.00 25.00 H new ATOM 0 HD11 LEU A 41 10.834 18.853 20.452 1.00 25.00 H new ATOM 0 HD12 LEU A 41 11.515 18.099 18.991 1.00 25.00 H new ATOM 0 HD13 LEU A 41 9.817 18.633 19.008 1.00 25.00 H new ATOM 0 HD21 LEU A 41 9.266 17.648 21.838 1.00 25.00 H new ATOM 0 HD22 LEU A 41 8.173 17.376 20.460 1.00 25.00 H new ATOM 0 HD23 LEU A 41 8.753 15.995 21.422 1.00 25.00 H new ATOM 672 N GLN A 42 10.108 13.291 17.144 1.00 25.00 N ATOM 673 CA GLN A 42 9.730 12.612 15.906 1.00 25.00 C ATOM 674 C GLN A 42 9.119 11.252 16.207 1.00 25.00 C ATOM 675 O GLN A 42 8.145 10.848 15.551 1.00 25.00 O ATOM 676 CB GLN A 42 10.957 12.450 14.998 1.00 25.00 C ATOM 677 CG GLN A 42 11.492 13.767 14.447 1.00 25.00 C ATOM 678 CD GLN A 42 12.834 13.621 13.735 1.00 25.00 C ATOM 679 OE1 GLN A 42 13.630 12.738 14.045 1.00 25.00 O ATOM 680 NE2 GLN A 42 13.096 14.480 12.786 1.00 25.00 N ATOM 0 H GLN A 42 11.113 13.416 17.267 1.00 25.00 H new ATOM 0 HA GLN A 42 8.985 13.219 15.392 1.00 25.00 H new ATOM 0 HB2 GLN A 42 11.749 11.953 15.558 1.00 25.00 H new ATOM 0 HB3 GLN A 42 10.697 11.797 14.165 1.00 25.00 H new ATOM 0 HG2 GLN A 42 10.763 14.185 13.753 1.00 25.00 H new ATOM 0 HG3 GLN A 42 11.598 14.479 15.265 1.00 25.00 H new ATOM 0 HE21 GLN A 42 12.416 15.203 12.550 1.00 25.00 H new ATOM 0 HE22 GLN A 42 13.981 14.428 12.281 1.00 25.00 H new ATOM 689 N GLU A 43 9.657 10.553 17.201 1.00 25.00 N ATOM 690 CA GLU A 43 9.115 9.262 17.592 1.00 25.00 C ATOM 691 C GLU A 43 7.702 9.429 18.181 1.00 25.00 C ATOM 692 O GLU A 43 6.758 8.775 17.745 1.00 25.00 O ATOM 693 CB GLU A 43 10.032 8.579 18.623 1.00 25.00 C ATOM 694 CG GLU A 43 9.374 7.352 19.214 1.00 25.00 C ATOM 695 CD GLU A 43 10.387 6.366 19.807 1.00 25.00 C ATOM 696 OE1 GLU A 43 11.119 6.724 20.745 1.00 25.00 O ATOM 697 OE2 GLU A 43 10.460 5.225 19.290 1.00 25.00 O ATOM 0 H GLU A 43 10.463 10.859 17.746 1.00 25.00 H new ATOM 0 HA GLU A 43 9.057 8.634 16.703 1.00 25.00 H new ATOM 0 HB2 GLU A 43 10.971 8.297 18.147 1.00 25.00 H new ATOM 0 HB3 GLU A 43 10.276 9.283 19.419 1.00 25.00 H new ATOM 0 HG2 GLU A 43 8.674 7.659 19.991 1.00 25.00 H new ATOM 0 HG3 GLU A 43 8.792 6.849 18.442 1.00 25.00 H new ATOM 704 N GLN A 44 7.560 10.349 19.123 1.00 25.00 N ATOM 705 CA GLN A 44 6.266 10.640 19.714 1.00 25.00 C ATOM 706 C GLN A 44 5.268 11.106 18.650 1.00 25.00 C ATOM 707 O GLN A 44 4.089 10.747 18.692 1.00 25.00 O ATOM 708 CB GLN A 44 6.398 11.703 20.797 1.00 25.00 C ATOM 709 CG GLN A 44 7.113 11.221 22.042 1.00 25.00 C ATOM 710 CD GLN A 44 7.224 12.295 23.083 1.00 25.00 C ATOM 711 OE1 GLN A 44 8.302 12.625 23.537 1.00 25.00 O ATOM 712 NE2 GLN A 44 6.114 12.887 23.432 1.00 25.00 N ATOM 0 H GLN A 44 8.328 10.908 19.494 1.00 25.00 H new ATOM 0 HA GLN A 44 5.892 9.720 20.163 1.00 25.00 H new ATOM 0 HB2 GLN A 44 6.935 12.559 20.389 1.00 25.00 H new ATOM 0 HB3 GLN A 44 5.403 12.053 21.073 1.00 25.00 H new ATOM 0 HG2 GLN A 44 6.578 10.367 22.459 1.00 25.00 H new ATOM 0 HG3 GLN A 44 8.110 10.872 21.774 1.00 25.00 H new ATOM 0 HE21 GLN A 44 5.226 12.584 23.031 1.00 25.00 H new ATOM 0 HE22 GLN A 44 6.134 13.652 24.106 1.00 25.00 H new ATOM 721 N HIS A 45 5.739 11.893 17.692 1.00 25.00 N ATOM 722 CA HIS A 45 4.888 12.378 16.596 1.00 25.00 C ATOM 723 C HIS A 45 4.307 11.224 15.812 1.00 25.00 C ATOM 724 O HIS A 45 3.093 11.191 15.573 1.00 25.00 O ATOM 725 CB HIS A 45 5.695 13.267 15.650 1.00 25.00 C ATOM 726 CG HIS A 45 4.879 13.931 14.593 1.00 25.00 C ATOM 727 ND1 HIS A 45 5.433 14.546 13.458 1.00 25.00 N ATOM 728 CD2 HIS A 45 3.542 14.110 14.456 1.00 25.00 C ATOM 729 CE1 HIS A 45 4.449 15.037 12.718 1.00 25.00 C ATOM 730 NE2 HIS A 45 3.311 14.791 13.307 1.00 25.00 N ATOM 0 H HIS A 45 6.706 12.214 17.645 1.00 25.00 H new ATOM 0 HA HIS A 45 4.075 12.954 17.037 1.00 25.00 H new ATOM 0 HB2 HIS A 45 6.205 14.033 16.235 1.00 25.00 H new ATOM 0 HB3 HIS A 45 6.467 12.664 15.172 1.00 25.00 H new ATOM 0 HD2 HIS A 45 2.787 13.767 15.147 1.00 25.00 H new ATOM 0 HE1 HIS A 45 4.570 15.557 11.779 1.00 25.00 H new ATOM 0 HE2 HIS A 45 2.393 15.067 12.958 1.00 25.00 H new ATOM 738 N TYR A 46 5.147 10.281 15.416 1.00 25.00 N ATOM 739 CA TYR A 46 4.667 9.101 14.703 1.00 25.00 C ATOM 740 C TYR A 46 3.658 8.317 15.540 1.00 25.00 C ATOM 741 O TYR A 46 2.622 7.923 15.023 1.00 25.00 O ATOM 742 CB TYR A 46 5.827 8.185 14.314 1.00 25.00 C ATOM 743 CG TYR A 46 5.355 6.938 13.558 1.00 25.00 C ATOM 744 CD1 TYR A 46 5.013 5.762 14.263 1.00 25.00 C ATOM 745 CD2 TYR A 46 5.216 6.953 12.159 1.00 25.00 C ATOM 746 CE1 TYR A 46 4.521 4.625 13.577 1.00 25.00 C ATOM 747 CE2 TYR A 46 4.743 5.802 11.469 1.00 25.00 C ATOM 748 CZ TYR A 46 4.390 4.656 12.195 1.00 25.00 C ATOM 749 OH TYR A 46 3.925 3.558 11.509 1.00 25.00 O ATOM 0 H TYR A 46 6.155 10.305 15.572 1.00 25.00 H new ATOM 0 HA TYR A 46 4.172 9.453 13.798 1.00 25.00 H new ATOM 0 HB2 TYR A 46 6.532 8.738 13.693 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.364 7.881 15.212 1.00 25.00 H new ATOM 0 HD1 TYR A 46 5.128 5.730 15.336 1.00 25.00 H new ATOM 0 HD2 TYR A 46 5.470 7.844 11.604 1.00 25.00 H new ATOM 0 HE1 TYR A 46 4.248 3.736 14.127 1.00 25.00 H new ATOM 0 HE2 TYR A 46 4.656 5.811 10.393 1.00 25.00 H new ATOM 0 HH TYR A 46 3.897 3.759 10.550 1.00 25.00 H new ATOM 759 N GLN A 47 3.944 8.108 16.819 1.00 25.00 N ATOM 760 CA GLN A 47 3.054 7.360 17.693 1.00 25.00 C ATOM 761 C GLN A 47 1.660 8.001 17.758 1.00 25.00 C ATOM 762 O GLN A 47 0.664 7.318 17.565 1.00 25.00 O ATOM 763 CB GLN A 47 3.661 7.284 19.107 1.00 25.00 C ATOM 764 CG GLN A 47 4.917 6.428 19.187 1.00 25.00 C ATOM 765 CD GLN A 47 5.646 6.600 20.493 1.00 25.00 C ATOM 766 OE1 GLN A 47 5.370 7.512 21.245 1.00 25.00 O ATOM 767 NE2 GLN A 47 6.624 5.760 20.732 1.00 25.00 N ATOM 0 H GLN A 47 4.791 8.449 17.274 1.00 25.00 H new ATOM 0 HA GLN A 47 2.942 6.356 17.284 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.897 8.293 19.447 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.914 6.883 19.793 1.00 25.00 H new ATOM 0 HG2 GLN A 47 4.648 5.380 19.060 1.00 25.00 H new ATOM 0 HG3 GLN A 47 5.584 6.688 18.365 1.00 25.00 H new ATOM 0 HE21 GLN A 47 6.822 5.007 20.073 1.00 25.00 H new ATOM 0 HE22 GLN A 47 7.187 5.859 21.577 1.00 25.00 H new ATOM 776 N GLN A 48 1.585 9.294 18.010 1.00 25.00 N ATOM 777 CA GLN A 48 0.287 9.962 18.081 1.00 25.00 C ATOM 778 C GLN A 48 -0.402 10.020 16.715 1.00 25.00 C ATOM 779 O GLN A 48 -1.599 9.768 16.616 1.00 25.00 O ATOM 780 CB GLN A 48 0.465 11.359 18.679 1.00 25.00 C ATOM 781 CG GLN A 48 -0.853 12.123 18.894 1.00 25.00 C ATOM 782 CD GLN A 48 -1.801 11.402 19.842 1.00 25.00 C ATOM 783 OE1 GLN A 48 -1.371 10.796 20.810 1.00 25.00 O ATOM 784 NE2 GLN A 48 -3.079 11.457 19.564 1.00 25.00 N ATOM 0 H GLN A 48 2.390 9.900 18.168 1.00 25.00 H new ATOM 0 HA GLN A 48 -0.367 9.379 18.730 1.00 25.00 H new ATOM 0 HB2 GLN A 48 0.981 11.270 19.635 1.00 25.00 H new ATOM 0 HB3 GLN A 48 1.109 11.944 18.022 1.00 25.00 H new ATOM 0 HG2 GLN A 48 -0.633 13.114 19.291 1.00 25.00 H new ATOM 0 HG3 GLN A 48 -1.346 12.266 17.933 1.00 25.00 H new ATOM 0 HE21 GLN A 48 -3.401 11.974 18.746 1.00 25.00 H new ATOM 0 HE22 GLN A 48 -3.753 10.983 20.166 1.00 25.00 H new ATOM 793 N TYR A 49 0.344 10.325 15.655 1.00 25.00 N ATOM 794 CA TYR A 49 -0.236 10.403 14.320 1.00 25.00 C ATOM 795 C TYR A 49 -0.813 9.086 13.897 1.00 25.00 C ATOM 796 O TYR A 49 -1.926 9.050 13.413 1.00 25.00 O ATOM 797 CB TYR A 49 0.814 10.849 13.298 1.00 25.00 C ATOM 798 CG TYR A 49 0.389 10.631 11.846 1.00 25.00 C ATOM 799 CD1 TYR A 49 -0.632 11.431 11.247 1.00 25.00 C ATOM 800 CD2 TYR A 49 0.991 9.628 11.060 1.00 25.00 C ATOM 801 CE1 TYR A 49 -0.985 11.222 9.891 1.00 25.00 C ATOM 802 CE2 TYR A 49 0.630 9.442 9.696 1.00 25.00 C ATOM 803 CZ TYR A 49 -0.356 10.248 9.132 1.00 25.00 C ATOM 804 OH TYR A 49 -0.717 10.090 7.829 1.00 25.00 O ATOM 0 H TYR A 49 1.344 10.521 15.696 1.00 25.00 H new ATOM 0 HA TYR A 49 -1.039 11.140 14.359 1.00 25.00 H new ATOM 0 HB2 TYR A 49 1.029 11.907 13.449 1.00 25.00 H new ATOM 0 HB3 TYR A 49 1.741 10.306 13.482 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -1.133 12.193 11.826 1.00 25.00 H new ATOM 0 HD2 TYR A 49 1.741 8.988 11.501 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -1.756 11.831 9.442 1.00 25.00 H new ATOM 0 HE2 TYR A 49 1.117 8.682 9.103 1.00 25.00 H new ATOM 0 HH TYR A 49 -0.187 9.370 7.428 1.00 25.00 H new ATOM 814 N MET A 50 -0.100 7.995 14.086 1.00 25.00 N ATOM 815 CA MET A 50 -0.609 6.708 13.622 1.00 25.00 C ATOM 816 C MET A 50 -1.803 6.241 14.435 1.00 25.00 C ATOM 817 O MET A 50 -2.757 5.719 13.877 1.00 25.00 O ATOM 818 CB MET A 50 0.506 5.666 13.612 1.00 25.00 C ATOM 819 CG MET A 50 0.155 4.376 12.880 1.00 25.00 C ATOM 820 SD MET A 50 -0.422 4.641 11.175 1.00 25.00 S ATOM 821 CE MET A 50 0.946 5.416 10.381 1.00 25.00 C ATOM 0 H MET A 50 0.811 7.964 14.544 1.00 25.00 H new ATOM 0 HA MET A 50 -0.963 6.839 12.599 1.00 25.00 H new ATOM 0 HB2 MET A 50 1.391 6.103 13.149 1.00 25.00 H new ATOM 0 HB3 MET A 50 0.771 5.425 14.641 1.00 25.00 H new ATOM 0 HG2 MET A 50 1.031 3.728 12.862 1.00 25.00 H new ATOM 0 HG3 MET A 50 -0.619 3.850 13.439 1.00 25.00 H new ATOM 0 HE1 MET A 50 0.715 5.570 9.327 1.00 25.00 H new ATOM 0 HE2 MET A 50 1.144 6.378 10.854 1.00 25.00 H new ATOM 0 HE3 MET A 50 1.827 4.780 10.470 1.00 25.00 H new ATOM 831 N GLN A 51 -1.786 6.471 15.746 1.00 25.00 N ATOM 832 CA GLN A 51 -2.943 6.096 16.582 1.00 25.00 C ATOM 833 C GLN A 51 -4.170 6.880 16.161 1.00 25.00 C ATOM 834 O GLN A 51 -5.265 6.336 16.124 1.00 25.00 O ATOM 835 CB GLN A 51 -2.670 6.393 18.059 1.00 25.00 C ATOM 836 CG GLN A 51 -1.793 5.332 18.751 1.00 25.00 C ATOM 837 CD GLN A 51 -2.545 4.066 19.128 1.00 25.00 C ATOM 838 OE1 GLN A 51 -3.703 3.867 18.777 1.00 25.00 O ATOM 839 NE2 GLN A 51 -1.900 3.214 19.890 1.00 25.00 N ATOM 0 H GLN A 51 -1.011 6.903 16.249 1.00 25.00 H new ATOM 0 HA GLN A 51 -3.112 5.027 16.449 1.00 25.00 H new ATOM 0 HB2 GLN A 51 -2.183 7.365 18.141 1.00 25.00 H new ATOM 0 HB3 GLN A 51 -3.620 6.467 18.587 1.00 25.00 H new ATOM 0 HG2 GLN A 51 -0.967 5.070 18.090 1.00 25.00 H new ATOM 0 HG3 GLN A 51 -1.356 5.766 19.651 1.00 25.00 H new ATOM 0 HE21 GLN A 51 -0.937 3.405 20.167 1.00 25.00 H new ATOM 0 HE22 GLN A 51 -2.362 2.361 20.205 1.00 25.00 H new ATOM 848 N GLN A 52 -3.997 8.152 15.823 1.00 25.00 N ATOM 849 CA GLN A 52 -5.129 8.972 15.404 1.00 25.00 C ATOM 850 C GLN A 52 -5.574 8.660 13.971 1.00 25.00 C ATOM 851 O GLN A 52 -6.742 8.506 13.724 1.00 25.00 O ATOM 852 CB GLN A 52 -4.787 10.446 15.582 1.00 25.00 C ATOM 853 CG GLN A 52 -5.997 11.361 15.585 1.00 25.00 C ATOM 854 CD GLN A 52 -6.943 11.020 16.723 1.00 25.00 C ATOM 855 OE1 GLN A 52 -6.535 10.912 17.868 1.00 25.00 O ATOM 856 NE2 GLN A 52 -8.201 10.856 16.417 1.00 25.00 N ATOM 0 H GLN A 52 -3.098 8.634 15.830 1.00 25.00 H new ATOM 0 HA GLN A 52 -5.980 8.730 16.041 1.00 25.00 H new ATOM 0 HB2 GLN A 52 -4.245 10.573 16.519 1.00 25.00 H new ATOM 0 HB3 GLN A 52 -4.114 10.752 14.781 1.00 25.00 H new ATOM 0 HG2 GLN A 52 -5.672 12.397 15.677 1.00 25.00 H new ATOM 0 HG3 GLN A 52 -6.523 11.276 14.634 1.00 25.00 H new ATOM 0 HE21 GLN A 52 -8.507 10.954 15.449 1.00 25.00 H new ATOM 0 HE22 GLN A 52 -8.878 10.630 17.146 1.00 25.00 H new ATOM 865 N LEU A 53 -4.638 8.528 13.045 1.00 25.00 N ATOM 866 CA LEU A 53 -4.942 8.230 11.642 1.00 25.00 C ATOM 867 C LEU A 53 -5.661 6.895 11.516 1.00 25.00 C ATOM 868 O LEU A 53 -6.606 6.776 10.751 1.00 25.00 O ATOM 869 CB LEU A 53 -3.627 8.144 10.832 1.00 25.00 C ATOM 870 CG LEU A 53 -3.790 7.764 9.353 1.00 25.00 C ATOM 871 CD1 LEU A 53 -4.326 8.931 8.509 1.00 25.00 C ATOM 872 CD2 LEU A 53 -2.476 7.273 8.789 1.00 25.00 C ATOM 0 H LEU A 53 -3.641 8.624 13.239 1.00 25.00 H new ATOM 0 HA LEU A 53 -5.580 9.026 11.260 1.00 25.00 H new ATOM 0 HB2 LEU A 53 -3.121 9.108 10.889 1.00 25.00 H new ATOM 0 HB3 LEU A 53 -2.974 7.413 11.308 1.00 25.00 H new ATOM 0 HG LEU A 53 -4.527 6.962 9.305 1.00 25.00 H new ATOM 0 HD11 LEU A 53 -4.424 8.614 7.471 1.00 25.00 H new ATOM 0 HD12 LEU A 53 -5.301 9.237 8.889 1.00 25.00 H new ATOM 0 HD13 LEU A 53 -3.634 9.771 8.568 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -2.607 7.007 7.740 1.00 25.00 H new ATOM 0 HD22 LEU A 53 -1.727 8.060 8.873 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -2.145 6.397 9.347 1.00 25.00 H new ATOM 884 N TYR A 54 -5.258 5.913 12.316 1.00 25.00 N ATOM 885 CA TYR A 54 -5.888 4.603 12.270 1.00 25.00 C ATOM 886 C TYR A 54 -7.377 4.770 12.529 1.00 25.00 C ATOM 887 O TYR A 54 -8.181 4.182 11.843 1.00 25.00 O ATOM 888 CB TYR A 54 -5.277 3.656 13.300 1.00 25.00 C ATOM 889 CG TYR A 54 -5.855 2.242 13.219 1.00 25.00 C ATOM 890 CD1 TYR A 54 -5.290 1.278 12.353 1.00 25.00 C ATOM 891 CD2 TYR A 54 -6.980 1.876 13.990 1.00 25.00 C ATOM 892 CE1 TYR A 54 -5.817 -0.027 12.284 1.00 25.00 C ATOM 893 CE2 TYR A 54 -7.507 0.569 13.914 1.00 25.00 C ATOM 894 CZ TYR A 54 -6.920 -0.377 13.069 1.00 25.00 C ATOM 895 OH TYR A 54 -7.429 -1.652 13.018 1.00 25.00 O ATOM 0 H TYR A 54 -4.504 6.000 12.998 1.00 25.00 H new ATOM 0 HA TYR A 54 -5.724 4.165 11.286 1.00 25.00 H new ATOM 0 HB2 TYR A 54 -4.198 3.612 13.152 1.00 25.00 H new ATOM 0 HB3 TYR A 54 -5.445 4.056 14.300 1.00 25.00 H new ATOM 0 HD1 TYR A 54 -4.444 1.545 11.737 1.00 25.00 H new ATOM 0 HD2 TYR A 54 -7.441 2.602 14.643 1.00 25.00 H new ATOM 0 HE1 TYR A 54 -5.369 -0.756 11.625 1.00 25.00 H new ATOM 0 HE2 TYR A 54 -8.366 0.299 14.510 1.00 25.00 H new ATOM 0 HH TYR A 54 -8.193 -1.724 13.627 1.00 25.00 H new ATOM 1884 N ILE B 155 1.082 11.221 3.567 1.00 25.00 N ATOM 1885 CA ILE B 155 0.446 11.311 4.887 1.00 25.00 C ATOM 1886 C ILE B 155 -0.732 12.269 4.798 1.00 25.00 C ATOM 1887 O ILE B 155 -0.760 13.125 3.939 1.00 25.00 O ATOM 1888 CB ILE B 155 1.450 11.870 5.980 1.00 25.00 C ATOM 1889 CG1 ILE B 155 2.027 13.216 5.504 1.00 25.00 C ATOM 1890 CG2 ILE B 155 2.570 10.829 6.267 1.00 25.00 C ATOM 1891 CD1 ILE B 155 2.730 14.006 6.591 1.00 25.00 C ATOM 0 HA ILE B 155 0.129 10.310 5.179 1.00 25.00 H new ATOM 0 HB ILE B 155 0.919 12.040 6.917 1.00 25.00 H new ATOM 0 HG12 ILE B 155 2.730 13.031 4.692 1.00 25.00 H new ATOM 0 HG13 ILE B 155 1.218 13.822 5.094 1.00 25.00 H new ATOM 0 HG21 ILE B 155 3.252 11.226 7.019 1.00 25.00 H new ATOM 0 HG22 ILE B 155 2.123 9.905 6.634 1.00 25.00 H new ATOM 0 HG23 ILE B 155 3.121 10.625 5.349 1.00 25.00 H new ATOM 0 HD11 ILE B 155 3.108 14.940 6.175 1.00 25.00 H new ATOM 0 HD12 ILE B 155 2.027 14.224 7.395 1.00 25.00 H new ATOM 0 HD13 ILE B 155 3.562 13.422 6.985 1.00 25.00 H new ATOM 1903 N ASP B 156 -1.637 12.187 5.754 1.00 25.00 N ATOM 1904 CA ASP B 156 -2.707 13.170 5.914 1.00 25.00 C ATOM 1905 C ASP B 156 -2.102 14.308 6.746 1.00 25.00 C ATOM 1906 O ASP B 156 -1.795 14.121 7.932 1.00 25.00 O ATOM 1907 CB ASP B 156 -3.878 12.548 6.680 1.00 25.00 C ATOM 1908 CG ASP B 156 -4.654 11.546 5.867 1.00 25.00 C ATOM 1909 OD1 ASP B 156 -4.047 10.602 5.326 1.00 25.00 O ATOM 1910 OD2 ASP B 156 -5.896 11.647 5.862 1.00 25.00 O ATOM 0 H ASP B 156 -1.657 11.438 6.446 1.00 25.00 H new ATOM 0 HA ASP B 156 -3.080 13.518 4.951 1.00 25.00 H new ATOM 0 HB2 ASP B 156 -3.498 12.061 7.578 1.00 25.00 H new ATOM 0 HB3 ASP B 156 -4.551 13.340 7.007 1.00 25.00 H new ATOM 1915 N PRO B 157 -1.867 15.483 6.131 1.00 25.00 N ATOM 1916 CA PRO B 157 -1.150 16.483 6.926 1.00 25.00 C ATOM 1917 C PRO B 157 -2.000 17.114 8.028 1.00 25.00 C ATOM 1918 O PRO B 157 -1.460 17.636 8.995 1.00 25.00 O ATOM 1919 CB PRO B 157 -0.745 17.526 5.873 1.00 25.00 C ATOM 1920 CG PRO B 157 -1.833 17.452 4.860 1.00 25.00 C ATOM 1921 CD PRO B 157 -2.121 15.970 4.760 1.00 25.00 C ATOM 0 HA PRO B 157 -0.312 16.045 7.469 1.00 25.00 H new ATOM 0 HB2 PRO B 157 -0.670 18.523 6.307 1.00 25.00 H new ATOM 0 HB3 PRO B 157 0.226 17.295 5.434 1.00 25.00 H new ATOM 0 HG2 PRO B 157 -2.714 18.012 5.175 1.00 25.00 H new ATOM 0 HG3 PRO B 157 -1.518 17.865 3.902 1.00 25.00 H new ATOM 0 HD2 PRO B 157 -3.148 15.780 4.449 1.00 25.00 H new ATOM 0 HD3 PRO B 157 -1.472 15.482 4.033 1.00 25.00 H new ATOM 1929 N GLU B 158 -3.314 17.011 7.909 1.00 25.00 N ATOM 1930 CA GLU B 158 -4.230 17.560 8.900 1.00 25.00 C ATOM 1931 C GLU B 158 -4.032 16.895 10.266 1.00 25.00 C ATOM 1932 O GLU B 158 -3.675 17.553 11.256 1.00 25.00 O ATOM 1933 CB GLU B 158 -5.677 17.387 8.418 1.00 25.00 C ATOM 1934 CG GLU B 158 -5.918 16.139 7.532 1.00 25.00 C ATOM 1935 CD GLU B 158 -7.390 15.791 7.449 1.00 25.00 C ATOM 1936 OE1 GLU B 158 -7.949 15.309 8.472 1.00 25.00 O ATOM 1937 OE2 GLU B 158 -8.003 16.043 6.400 1.00 25.00 O ATOM 0 H GLU B 158 -3.776 16.547 7.127 1.00 25.00 H new ATOM 0 HA GLU B 158 -4.017 18.623 9.018 1.00 25.00 H new ATOM 0 HB2 GLU B 158 -6.331 17.330 9.288 1.00 25.00 H new ATOM 0 HB3 GLU B 158 -5.968 18.276 7.858 1.00 25.00 H new ATOM 0 HG2 GLU B 158 -5.530 16.323 6.530 1.00 25.00 H new ATOM 0 HG3 GLU B 158 -5.365 15.292 7.938 1.00 25.00 H new ATOM 1944 N VAL B 159 -4.190 15.579 10.314 1.00 25.00 N ATOM 1945 CA VAL B 159 -4.022 14.846 11.561 1.00 25.00 C ATOM 1946 C VAL B 159 -2.556 14.874 11.992 1.00 25.00 C ATOM 1947 O VAL B 159 -2.268 14.972 13.171 1.00 25.00 O ATOM 1948 CB VAL B 159 -4.577 13.370 11.430 1.00 25.00 C ATOM 1949 CG1 VAL B 159 -4.280 12.774 10.086 1.00 25.00 C ATOM 1950 CG2 VAL B 159 -4.081 12.474 12.555 1.00 25.00 C ATOM 0 H VAL B 159 -4.433 15.001 9.510 1.00 25.00 H new ATOM 0 HA VAL B 159 -4.607 15.334 12.341 1.00 25.00 H new ATOM 0 HB VAL B 159 -5.661 13.436 11.521 1.00 25.00 H new ATOM 0 HG11 VAL B 159 -4.679 11.761 10.041 1.00 25.00 H new ATOM 0 HG12 VAL B 159 -4.743 13.381 9.308 1.00 25.00 H new ATOM 0 HG13 VAL B 159 -3.201 12.746 9.931 1.00 25.00 H new ATOM 0 HG21 VAL B 159 -4.486 11.470 12.426 1.00 25.00 H new ATOM 0 HG22 VAL B 159 -2.992 12.432 12.533 1.00 25.00 H new ATOM 0 HG23 VAL B 159 -4.409 12.877 13.513 1.00 25.00 H new ATOM 1960 N ALA B 160 -1.642 14.859 11.036 1.00 25.00 N ATOM 1961 CA ALA B 160 -0.231 14.911 11.371 1.00 25.00 C ATOM 1962 C ALA B 160 0.114 16.189 12.133 1.00 25.00 C ATOM 1963 O ALA B 160 0.888 16.151 13.089 1.00 25.00 O ATOM 1964 CB ALA B 160 0.615 14.787 10.129 1.00 25.00 C ATOM 0 H ALA B 160 -1.848 14.812 10.038 1.00 25.00 H new ATOM 0 HA ALA B 160 -0.013 14.066 12.024 1.00 25.00 H new ATOM 0 HB1 ALA B 160 1.670 14.828 10.401 1.00 25.00 H new ATOM 0 HB2 ALA B 160 0.404 13.837 9.638 1.00 25.00 H new ATOM 0 HB3 ALA B 160 0.384 15.606 9.448 1.00 25.00 H new ATOM 1970 N GLN B 161 -0.468 17.315 11.743 1.00 25.00 N ATOM 1971 CA GLN B 161 -0.202 18.578 12.444 1.00 25.00 C ATOM 1972 C GLN B 161 -0.858 18.642 13.818 1.00 25.00 C ATOM 1973 O GLN B 161 -0.244 19.085 14.786 1.00 25.00 O ATOM 1974 CB GLN B 161 -0.665 19.747 11.591 1.00 25.00 C ATOM 1975 CG GLN B 161 0.482 20.343 10.806 1.00 25.00 C ATOM 1976 CD GLN B 161 0.015 21.164 9.624 1.00 25.00 C ATOM 1977 OE1 GLN B 161 0.262 20.819 8.490 1.00 25.00 O ATOM 1978 NE2 GLN B 161 -0.649 22.274 9.901 1.00 25.00 N ATOM 0 H GLN B 161 -1.117 17.388 10.960 1.00 25.00 H new ATOM 0 HA GLN B 161 0.875 18.635 12.605 1.00 25.00 H new ATOM 0 HB2 GLN B 161 -1.443 19.413 10.905 1.00 25.00 H new ATOM 0 HB3 GLN B 161 -1.108 20.512 12.228 1.00 25.00 H new ATOM 0 HG2 GLN B 161 1.081 20.971 11.466 1.00 25.00 H new ATOM 0 HG3 GLN B 161 1.131 19.541 10.453 1.00 25.00 H new ATOM 0 HE21 GLN B 161 -0.836 22.528 10.871 1.00 25.00 H new ATOM 0 HE22 GLN B 161 -0.974 22.876 9.145 1.00 25.00 H new ATOM 1987 N LYS B 162 -2.083 18.146 13.923 1.00 25.00 N ATOM 1988 CA LYS B 162 -2.758 18.092 15.216 1.00 25.00 C ATOM 1989 C LYS B 162 -1.947 17.238 16.181 1.00 25.00 C ATOM 1990 O LYS B 162 -1.739 17.597 17.329 1.00 25.00 O ATOM 1991 CB LYS B 162 -4.158 17.487 15.069 1.00 25.00 C ATOM 1992 CG LYS B 162 -5.203 18.437 14.474 1.00 25.00 C ATOM 1993 CD LYS B 162 -5.589 19.537 15.472 1.00 25.00 C ATOM 1994 CE LYS B 162 -6.704 20.430 14.927 1.00 25.00 C ATOM 1995 NZ LYS B 162 -7.115 21.453 15.947 1.00 25.00 N ATOM 0 H LYS B 162 -2.625 17.779 13.141 1.00 25.00 H new ATOM 0 HA LYS B 162 -2.848 19.108 15.601 1.00 25.00 H new ATOM 0 HB2 LYS B 162 -4.092 16.600 14.439 1.00 25.00 H new ATOM 0 HB3 LYS B 162 -4.502 17.157 16.049 1.00 25.00 H new ATOM 0 HG2 LYS B 162 -4.809 18.890 13.564 1.00 25.00 H new ATOM 0 HG3 LYS B 162 -6.091 17.872 14.190 1.00 25.00 H new ATOM 0 HD2 LYS B 162 -5.912 19.082 16.408 1.00 25.00 H new ATOM 0 HD3 LYS B 162 -4.714 20.146 15.699 1.00 25.00 H new ATOM 0 HE2 LYS B 162 -6.365 20.930 14.020 1.00 25.00 H new ATOM 0 HE3 LYS B 162 -7.564 19.819 14.652 1.00 25.00 H new ATOM 0 HZ1 LYS B 162 -7.873 22.048 15.556 1.00 25.00 H new ATOM 0 HZ2 LYS B 162 -7.459 20.972 16.802 1.00 25.00 H new ATOM 0 HZ3 LYS B 162 -6.298 22.049 16.190 1.00 25.00 H new ATOM 2009 N ALA B 163 -1.427 16.131 15.674 1.00 25.00 N ATOM 2010 CA ALA B 163 -0.610 15.227 16.468 1.00 25.00 C ATOM 2011 C ALA B 163 0.662 15.903 16.967 1.00 25.00 C ATOM 2012 O ALA B 163 1.091 15.671 18.107 1.00 25.00 O ATOM 2013 CB ALA B 163 -0.272 13.973 15.657 1.00 25.00 C ATOM 0 H ALA B 163 -1.558 15.835 14.707 1.00 25.00 H new ATOM 0 HA ALA B 163 -1.189 14.938 17.346 1.00 25.00 H new ATOM 0 HB1 ALA B 163 0.340 13.303 16.261 1.00 25.00 H new ATOM 0 HB2 ALA B 163 -1.193 13.465 15.372 1.00 25.00 H new ATOM 0 HB3 ALA B 163 0.278 14.257 14.760 1.00 25.00 H new ATOM 2019 N CYS B 164 1.306 16.702 16.130 1.00 25.00 N ATOM 2020 CA CYS B 164 2.565 17.316 16.564 1.00 25.00 C ATOM 2021 C CYS B 164 2.334 18.383 17.637 1.00 25.00 C ATOM 2022 O CYS B 164 3.135 18.497 18.564 1.00 25.00 O ATOM 2023 CB CYS B 164 3.339 17.902 15.382 1.00 25.00 C ATOM 2024 SG CYS B 164 2.843 19.549 14.828 1.00 25.00 S ATOM 0 H CYS B 164 1.001 16.937 15.186 1.00 25.00 H new ATOM 0 HA CYS B 164 3.169 16.523 17.005 1.00 25.00 H new ATOM 0 HB2 CYS B 164 4.395 17.936 15.649 1.00 25.00 H new ATOM 0 HB3 CYS B 164 3.245 17.216 14.540 1.00 25.00 H new ATOM 0 HG CYS B 164 1.548 19.602 14.730 1.00 25.00 H new ATOM 2030 N GLN B 165 1.212 19.086 17.562 1.00 25.00 N ATOM 2031 CA GLN B 165 0.892 20.106 18.571 1.00 25.00 C ATOM 2032 C GLN B 165 0.744 19.457 19.950 1.00 25.00 C ATOM 2033 O GLN B 165 1.324 19.928 20.929 1.00 25.00 O ATOM 2034 CB GLN B 165 -0.393 20.858 18.171 1.00 25.00 C ATOM 2035 CG GLN B 165 -0.686 22.091 18.996 1.00 25.00 C ATOM 2036 CD GLN B 165 -1.685 23.011 18.339 1.00 25.00 C ATOM 2037 OE1 GLN B 165 -2.472 22.604 17.476 1.00 25.00 O ATOM 2038 NE2 GLN B 165 -1.656 24.269 18.708 1.00 25.00 N ATOM 0 H GLN B 165 0.513 18.977 16.827 1.00 25.00 H new ATOM 0 HA GLN B 165 1.708 20.827 18.623 1.00 25.00 H new ATOM 0 HB2 GLN B 165 -0.317 21.148 17.123 1.00 25.00 H new ATOM 0 HB3 GLN B 165 -1.238 20.174 18.252 1.00 25.00 H new ATOM 0 HG2 GLN B 165 -1.065 21.788 19.972 1.00 25.00 H new ATOM 0 HG3 GLN B 165 0.242 22.635 19.170 1.00 25.00 H new ATOM 0 HE21 GLN B 165 -0.996 24.576 19.423 1.00 25.00 H new ATOM 0 HE22 GLN B 165 -2.294 24.941 18.281 1.00 25.00 H new ATOM 2047 N GLU B 166 0.033 18.335 20.018 1.00 25.00 N ATOM 2048 CA GLU B 166 -0.114 17.615 21.281 1.00 25.00 C ATOM 2049 C GLU B 166 1.239 17.140 21.798 1.00 25.00 C ATOM 2050 O GLU B 166 1.514 17.161 22.986 1.00 25.00 O ATOM 2051 CB GLU B 166 -0.981 16.376 21.095 1.00 25.00 C ATOM 2052 CG GLU B 166 -2.415 16.544 21.531 1.00 25.00 C ATOM 2053 CD GLU B 166 -3.088 15.192 21.731 1.00 25.00 C ATOM 2054 OE1 GLU B 166 -2.653 14.430 22.629 1.00 25.00 O ATOM 2055 OE2 GLU B 166 -3.996 14.872 20.939 1.00 25.00 O ATOM 0 H GLU B 166 -0.445 17.908 19.225 1.00 25.00 H new ATOM 0 HA GLU B 166 -0.572 18.306 21.989 1.00 25.00 H new ATOM 0 HB2 GLU B 166 -0.965 16.092 20.043 1.00 25.00 H new ATOM 0 HB3 GLU B 166 -0.539 15.551 21.654 1.00 25.00 H new ATOM 0 HG2 GLU B 166 -2.452 17.113 22.460 1.00 25.00 H new ATOM 0 HG3 GLU B 166 -2.961 17.119 20.783 1.00 25.00 H new ATOM 2062 N VAL B 167 2.104 16.686 20.893 1.00 25.00 N ATOM 2063 CA VAL B 167 3.423 16.187 21.296 1.00 25.00 C ATOM 2064 C VAL B 167 4.252 17.307 21.923 1.00 25.00 C ATOM 2065 O VAL B 167 4.872 17.098 22.961 1.00 25.00 O ATOM 2066 CB VAL B 167 4.152 15.536 20.092 1.00 25.00 C ATOM 2067 CG1 VAL B 167 5.640 15.301 20.377 1.00 25.00 C ATOM 2068 CG2 VAL B 167 3.480 14.201 19.749 1.00 25.00 C ATOM 0 H VAL B 167 1.922 16.652 19.890 1.00 25.00 H new ATOM 0 HA VAL B 167 3.289 15.415 22.053 1.00 25.00 H new ATOM 0 HB VAL B 167 4.081 16.225 19.250 1.00 25.00 H new ATOM 0 HG11 VAL B 167 6.109 14.844 19.506 1.00 25.00 H new ATOM 0 HG12 VAL B 167 6.124 16.254 20.592 1.00 25.00 H new ATOM 0 HG13 VAL B 167 5.746 14.638 21.236 1.00 25.00 H new ATOM 0 HG21 VAL B 167 3.992 13.743 18.903 1.00 25.00 H new ATOM 0 HG22 VAL B 167 3.534 13.535 20.610 1.00 25.00 H new ATOM 0 HG23 VAL B 167 2.436 14.375 19.490 1.00 25.00 H new ATOM 2078 N LEU B 168 4.212 18.502 21.349 1.00 25.00 N ATOM 2079 CA LEU B 168 4.930 19.633 21.930 1.00 25.00 C ATOM 2080 C LEU B 168 4.343 20.005 23.286 1.00 25.00 C ATOM 2081 O LEU B 168 5.080 20.349 24.207 1.00 25.00 O ATOM 2082 CB LEU B 168 4.907 20.851 20.979 1.00 25.00 C ATOM 2083 CG LEU B 168 6.001 21.033 19.907 1.00 25.00 C ATOM 2084 CD1 LEU B 168 7.283 20.231 20.142 1.00 25.00 C ATOM 2085 CD2 LEU B 168 5.479 20.778 18.518 1.00 25.00 C ATOM 0 H LEU B 168 3.698 18.714 20.494 1.00 25.00 H new ATOM 0 HA LEU B 168 5.968 19.333 22.074 1.00 25.00 H new ATOM 0 HB2 LEU B 168 3.949 20.835 20.460 1.00 25.00 H new ATOM 0 HB3 LEU B 168 4.917 21.745 21.602 1.00 25.00 H new ATOM 0 HG LEU B 168 6.283 22.082 20.003 1.00 25.00 H new ATOM 0 HD11 LEU B 168 7.988 20.428 19.335 1.00 25.00 H new ATOM 0 HD12 LEU B 168 7.728 20.526 21.092 1.00 25.00 H new ATOM 0 HD13 LEU B 168 7.047 19.167 20.167 1.00 25.00 H new ATOM 0 HD21 LEU B 168 6.283 20.918 17.796 1.00 25.00 H new ATOM 0 HD22 LEU B 168 5.105 19.756 18.452 1.00 25.00 H new ATOM 0 HD23 LEU B 168 4.670 21.475 18.300 1.00 25.00 H new ATOM 2097 N GLU B 169 3.033 19.930 23.446 1.00 25.00 N ATOM 2098 CA GLU B 169 2.425 20.247 24.735 1.00 25.00 C ATOM 2099 C GLU B 169 2.776 19.194 25.793 1.00 25.00 C ATOM 2100 O GLU B 169 3.128 19.530 26.924 1.00 25.00 O ATOM 2101 CB GLU B 169 0.917 20.367 24.588 1.00 25.00 C ATOM 2102 CG GLU B 169 0.493 21.626 23.832 1.00 25.00 C ATOM 2103 CD GLU B 169 -1.019 21.708 23.655 1.00 25.00 C ATOM 2104 OE1 GLU B 169 -1.576 20.936 22.827 1.00 25.00 O ATOM 2105 OE2 GLU B 169 -1.636 22.578 24.292 1.00 25.00 O ATOM 0 H GLU B 169 2.376 19.657 22.715 1.00 25.00 H new ATOM 0 HA GLU B 169 2.827 21.203 25.071 1.00 25.00 H new ATOM 0 HB2 GLU B 169 0.537 19.490 24.065 1.00 25.00 H new ATOM 0 HB3 GLU B 169 0.459 20.372 25.577 1.00 25.00 H new ATOM 0 HG2 GLU B 169 0.843 22.507 24.371 1.00 25.00 H new ATOM 0 HG3 GLU B 169 0.973 21.640 22.854 1.00 25.00 H new ATOM 2112 N LYS B 170 2.747 17.927 25.406 1.00 25.00 N ATOM 2113 CA LYS B 170 3.059 16.828 26.319 1.00 25.00 C ATOM 2114 C LYS B 170 4.486 16.890 26.843 1.00 25.00 C ATOM 2115 O LYS B 170 4.730 16.772 28.038 1.00 25.00 O ATOM 2116 CB LYS B 170 2.788 15.486 25.605 1.00 25.00 C ATOM 2117 CG LYS B 170 2.696 14.268 26.555 1.00 25.00 C ATOM 2118 CD LYS B 170 1.385 13.494 26.309 1.00 25.00 C ATOM 2119 CE LYS B 170 1.359 12.800 24.917 1.00 25.00 C ATOM 2120 NZ LYS B 170 -0.018 12.212 24.612 1.00 25.00 N ATOM 0 H LYS B 170 2.509 17.629 24.460 1.00 25.00 H new ATOM 0 HA LYS B 170 2.413 16.918 27.192 1.00 25.00 H new ATOM 0 HB2 LYS B 170 1.856 15.567 25.045 1.00 25.00 H new ATOM 0 HB3 LYS B 170 3.581 15.307 24.879 1.00 25.00 H new ATOM 0 HG2 LYS B 170 3.550 13.610 26.397 1.00 25.00 H new ATOM 0 HG3 LYS B 170 2.740 14.603 27.591 1.00 25.00 H new ATOM 0 HD2 LYS B 170 1.258 12.743 27.089 1.00 25.00 H new ATOM 0 HD3 LYS B 170 0.541 14.180 26.386 1.00 25.00 H new ATOM 0 HE2 LYS B 170 1.628 13.521 24.145 1.00 25.00 H new ATOM 0 HE3 LYS B 170 2.108 12.009 24.889 1.00 25.00 H new ATOM 0 HZ1 LYS B 170 -0.002 11.757 23.677 1.00 25.00 H new ATOM 0 HZ2 LYS B 170 -0.263 11.507 25.336 1.00 25.00 H new ATOM 0 HZ3 LYS B 170 -0.728 12.972 24.615 1.00 25.00 H new ATOM 2134 N VAL B 171 5.429 17.094 25.938 1.00 25.00 N ATOM 2135 CA VAL B 171 6.844 17.125 26.323 1.00 25.00 C ATOM 2136 C VAL B 171 7.136 18.324 27.230 1.00 25.00 C ATOM 2137 O VAL B 171 8.025 18.263 28.084 1.00 25.00 O ATOM 2138 CB VAL B 171 7.768 17.093 25.061 1.00 25.00 C ATOM 2139 CG1 VAL B 171 7.711 18.412 24.289 1.00 25.00 C ATOM 2140 CG2 VAL B 171 9.208 16.775 25.440 1.00 25.00 C ATOM 0 H VAL B 171 5.252 17.239 24.944 1.00 25.00 H new ATOM 0 HA VAL B 171 7.066 16.228 26.900 1.00 25.00 H new ATOM 0 HB VAL B 171 7.394 16.300 24.413 1.00 25.00 H new ATOM 0 HG11 VAL B 171 8.365 18.353 23.419 1.00 25.00 H new ATOM 0 HG12 VAL B 171 6.688 18.598 23.962 1.00 25.00 H new ATOM 0 HG13 VAL B 171 8.039 19.226 24.935 1.00 25.00 H new ATOM 0 HG21 VAL B 171 9.826 16.760 24.542 1.00 25.00 H new ATOM 0 HG22 VAL B 171 9.581 17.537 26.124 1.00 25.00 H new ATOM 0 HG23 VAL B 171 9.250 15.800 25.926 1.00 25.00 H new ATOM 2150 N LYS B 172 6.387 19.403 27.078 1.00 25.00 N ATOM 2151 CA LYS B 172 6.569 20.572 27.923 1.00 25.00 C ATOM 2152 C LYS B 172 6.157 20.225 29.339 1.00 25.00 C ATOM 2153 O LYS B 172 6.824 20.629 30.282 1.00 25.00 O ATOM 2154 CB LYS B 172 5.753 21.760 27.394 1.00 25.00 C ATOM 2155 CG LYS B 172 6.438 22.489 26.255 1.00 25.00 C ATOM 2156 CD LYS B 172 5.530 23.536 25.613 1.00 25.00 C ATOM 2157 CE LYS B 172 6.210 24.173 24.410 1.00 25.00 C ATOM 2158 NZ LYS B 172 5.362 25.203 23.741 1.00 25.00 N ATOM 0 H LYS B 172 5.649 19.494 26.380 1.00 25.00 H new ATOM 0 HA LYS B 172 7.619 20.865 27.913 1.00 25.00 H new ATOM 0 HB2 LYS B 172 4.780 21.404 27.057 1.00 25.00 H new ATOM 0 HB3 LYS B 172 5.571 22.460 28.209 1.00 25.00 H new ATOM 0 HG2 LYS B 172 7.342 22.972 26.626 1.00 25.00 H new ATOM 0 HG3 LYS B 172 6.750 21.768 25.499 1.00 25.00 H new ATOM 0 HD2 LYS B 172 4.593 23.072 25.304 1.00 25.00 H new ATOM 0 HD3 LYS B 172 5.279 24.304 26.344 1.00 25.00 H new ATOM 0 HE2 LYS B 172 7.146 24.632 24.729 1.00 25.00 H new ATOM 0 HE3 LYS B 172 6.465 23.396 23.689 1.00 25.00 H new ATOM 0 HZ1 LYS B 172 5.876 25.602 22.930 1.00 25.00 H new ATOM 0 HZ2 LYS B 172 4.479 24.764 23.410 1.00 25.00 H new ATOM 0 HZ3 LYS B 172 5.139 25.961 24.417 1.00 25.00 H new