USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=13 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 18 GLN : amide:sc= 1.35 X(o=2.4,f=1.9) USER MOD Set 1.2: B 161 GLN : amide:sc= 1.02 X(o=2.4,f=1.9) USER MOD Set 2.1: A 14 GLN : amide:sc= -0.424 K(o=-1.2,f=-5.2) USER MOD Set 2.2: A 45 HIS : no HD1:sc= -0.785 K(o=-1.2,f=-4.2!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.074 X(o=-0.074,f=-0.33) USER MOD Single : A 6 GLN : amide:sc= -0.0586 X(o=-0.059,f=0) USER MOD Single : A 8 MET CE :methyl -167:sc= 0 (180deg=-0.114) USER MOD Single : A 12 ASN : amide:sc= -0.497 K(o=-0.5,f=-2.2) USER MOD Single : A 13 SER OG : rot 65:sc= 1.21 USER MOD Single : A 15 THR OG1 : rot -61:sc= 1.29 USER MOD Single : A 20 GLN : amide:sc= -0.271 X(o=-0.27,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.37) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0519 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 26 GLN : amide:sc= -0.152 X(o=-0.15,f=0.015) 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) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.42) USER MOD Single : A 34 GLN : amide:sc= 0.815 K(o=0.81,f=-0.77) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 40 GLN : amide:sc= -0.0408 X(o=-0.041,f=-0.051) USER MOD Single : A 42 GLN : amide:sc= -0.134 K(o=-0.13,f=-1.1) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot -76:sc= 1.18 USER MOD Single : A 47 GLN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.0396 X(o=-0.04,f=-0.15) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.653 USER MOD Single : A 50 MET CE :methyl -156:sc=-0.00764 (180deg=-0.0729) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -1.02 X(o=-1,f=-1.3) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : B 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 164 CYS SG : rot -22:sc= 0.839 USER MOD Single : B 165 GLN : amide:sc= -0.0941 K(o=-0.094,f=-0.79) USER MOD Single : B 170 LYS NZ :NH3+ -123:sc= -0.506 (180deg=-0.94) USER MOD Single : B 172 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.22) USER MOD ----------------------------------------------------------------- ATOM 53 N LYS A 4 7.238 2.292 7.351 1.00 25.00 N ATOM 54 CA LYS A 4 7.266 3.293 8.422 1.00 25.00 C ATOM 55 C LYS A 4 8.192 4.467 8.091 1.00 25.00 C ATOM 56 O LYS A 4 7.909 5.590 8.475 1.00 25.00 O ATOM 57 CB LYS A 4 7.733 2.627 9.738 1.00 25.00 C ATOM 58 CG LYS A 4 7.975 3.603 10.904 1.00 25.00 C ATOM 59 CD LYS A 4 8.307 2.867 12.219 1.00 25.00 C ATOM 60 CE LYS A 4 8.640 3.870 13.330 1.00 25.00 C ATOM 61 NZ LYS A 4 8.954 3.201 14.640 1.00 25.00 N ATOM 0 HA LYS A 4 6.256 3.688 8.531 1.00 25.00 H new ATOM 0 HB2 LYS A 4 6.985 1.895 10.044 1.00 25.00 H new ATOM 0 HB3 LYS A 4 8.655 2.079 9.544 1.00 25.00 H new ATOM 0 HG2 LYS A 4 8.794 4.276 10.649 1.00 25.00 H new ATOM 0 HG3 LYS A 4 7.089 4.221 11.049 1.00 25.00 H new ATOM 0 HD2 LYS A 4 7.460 2.250 12.520 1.00 25.00 H new ATOM 0 HD3 LYS A 4 9.151 2.195 12.063 1.00 25.00 H new ATOM 0 HE2 LYS A 4 9.492 4.477 13.023 1.00 25.00 H new ATOM 0 HE3 LYS A 4 7.798 4.549 13.466 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 9.172 3.924 15.355 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 8.133 2.643 14.950 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 9.775 2.573 14.521 1.00 25.00 H new ATOM 75 N GLN A 5 9.289 4.210 7.397 1.00 25.00 N ATOM 76 CA GLN A 5 10.302 5.245 7.136 1.00 25.00 C ATOM 77 C GLN A 5 9.727 6.374 6.298 1.00 25.00 C ATOM 78 O GLN A 5 9.943 7.544 6.615 1.00 25.00 O ATOM 79 CB GLN A 5 11.526 4.651 6.416 1.00 25.00 C ATOM 80 CG GLN A 5 12.282 3.616 7.236 1.00 25.00 C ATOM 81 CD GLN A 5 12.916 4.210 8.479 1.00 25.00 C ATOM 82 OE1 GLN A 5 12.277 4.330 9.520 1.00 25.00 O ATOM 83 NE2 GLN A 5 14.165 4.568 8.385 1.00 25.00 N ATOM 0 H GLN A 5 9.510 3.297 7.000 1.00 25.00 H new ATOM 0 HA GLN A 5 10.614 5.642 8.102 1.00 25.00 H new ATOM 0 HB2 GLN A 5 11.199 4.192 5.483 1.00 25.00 H new ATOM 0 HB3 GLN A 5 12.208 5.460 6.152 1.00 25.00 H new ATOM 0 HG2 GLN A 5 11.599 2.818 7.527 1.00 25.00 H new ATOM 0 HG3 GLN A 5 13.057 3.163 6.618 1.00 25.00 H new ATOM 0 HE21 GLN A 5 14.663 4.453 7.503 1.00 25.00 H new ATOM 0 HE22 GLN A 5 14.644 4.963 9.194 1.00 25.00 H new ATOM 92 N GLN A 6 8.960 6.030 5.271 1.00 25.00 N ATOM 93 CA GLN A 6 8.356 7.039 4.412 1.00 25.00 C ATOM 94 C GLN A 6 7.398 7.931 5.202 1.00 25.00 C ATOM 95 O GLN A 6 7.342 9.148 5.003 1.00 25.00 O ATOM 96 CB GLN A 6 7.663 6.383 3.205 1.00 25.00 C ATOM 97 CG GLN A 6 6.663 5.278 3.533 1.00 25.00 C ATOM 98 CD GLN A 6 6.160 4.557 2.291 1.00 25.00 C ATOM 99 OE1 GLN A 6 6.184 3.337 2.235 1.00 25.00 O ATOM 100 NE2 GLN A 6 5.704 5.299 1.308 1.00 25.00 N ATOM 0 H GLN A 6 8.743 5.067 5.014 1.00 25.00 H new ATOM 0 HA GLN A 6 9.149 7.680 4.026 1.00 25.00 H new ATOM 0 HB2 GLN A 6 7.146 7.159 2.641 1.00 25.00 H new ATOM 0 HB3 GLN A 6 8.430 5.970 2.550 1.00 25.00 H new ATOM 0 HG2 GLN A 6 7.131 4.557 4.203 1.00 25.00 H new ATOM 0 HG3 GLN A 6 5.816 5.707 4.068 1.00 25.00 H new ATOM 0 HE21 GLN A 6 5.701 6.315 1.395 1.00 25.00 H new ATOM 0 HE22 GLN A 6 5.352 4.859 0.458 1.00 25.00 H new ATOM 109 N ILE A 7 6.699 7.351 6.182 1.00 25.00 N ATOM 110 CA ILE A 7 5.831 8.136 7.047 1.00 25.00 C ATOM 111 C ILE A 7 6.667 9.084 7.863 1.00 25.00 C ATOM 112 O ILE A 7 6.391 10.260 7.900 1.00 25.00 O ATOM 113 CB ILE A 7 5.032 7.265 8.061 1.00 25.00 C ATOM 114 CG1 ILE A 7 4.328 6.090 7.365 1.00 25.00 C ATOM 115 CG2 ILE A 7 4.004 8.122 8.843 1.00 25.00 C ATOM 116 CD1 ILE A 7 3.375 6.429 6.234 1.00 25.00 C ATOM 0 H ILE A 7 6.720 6.353 6.390 1.00 25.00 H new ATOM 0 HA ILE A 7 5.130 8.650 6.390 1.00 25.00 H new ATOM 0 HB ILE A 7 5.751 6.854 8.770 1.00 25.00 H new ATOM 0 HG12 ILE A 7 5.094 5.421 6.973 1.00 25.00 H new ATOM 0 HG13 ILE A 7 3.773 5.533 8.120 1.00 25.00 H new ATOM 0 HG21 ILE A 7 3.460 7.488 9.544 1.00 25.00 H new ATOM 0 HG22 ILE A 7 4.526 8.905 9.392 1.00 25.00 H new ATOM 0 HG23 ILE A 7 3.302 8.576 8.144 1.00 25.00 H new ATOM 0 HD11 ILE A 7 2.947 5.511 5.831 1.00 25.00 H new ATOM 0 HD12 ILE A 7 2.576 7.067 6.611 1.00 25.00 H new ATOM 0 HD13 ILE A 7 3.917 6.953 5.447 1.00 25.00 H new ATOM 128 N MET A 8 7.686 8.569 8.536 1.00 25.00 N ATOM 129 CA MET A 8 8.468 9.405 9.428 1.00 25.00 C ATOM 130 C MET A 8 9.149 10.534 8.679 1.00 25.00 C ATOM 131 O MET A 8 9.158 11.647 9.161 1.00 25.00 O ATOM 132 CB MET A 8 9.494 8.573 10.194 1.00 25.00 C ATOM 133 CG MET A 8 8.844 7.544 11.111 1.00 25.00 C ATOM 134 SD MET A 8 9.997 6.951 12.347 1.00 25.00 S ATOM 135 CE MET A 8 9.775 8.174 13.594 1.00 25.00 C ATOM 0 H MET A 8 7.985 7.595 8.482 1.00 25.00 H new ATOM 0 HA MET A 8 7.779 9.850 10.146 1.00 25.00 H new ATOM 0 HB2 MET A 8 10.145 8.063 9.485 1.00 25.00 H new ATOM 0 HB3 MET A 8 10.125 9.236 10.786 1.00 25.00 H new ATOM 0 HG2 MET A 8 7.978 7.987 11.602 1.00 25.00 H new ATOM 0 HG3 MET A 8 8.480 6.705 10.518 1.00 25.00 H new ATOM 0 HE1 MET A 8 10.574 8.092 14.330 1.00 25.00 H new ATOM 0 HE2 MET A 8 9.800 9.165 13.140 1.00 25.00 H new ATOM 0 HE3 MET A 8 8.813 8.023 14.084 1.00 25.00 H new ATOM 145 N ALA A 9 9.633 10.273 7.467 1.00 25.00 N ATOM 146 CA ALA A 9 10.245 11.335 6.671 1.00 25.00 C ATOM 147 C ALA A 9 9.213 12.428 6.351 1.00 25.00 C ATOM 148 O ALA A 9 9.515 13.620 6.377 1.00 25.00 O ATOM 149 CB ALA A 9 10.825 10.747 5.378 1.00 25.00 C ATOM 0 H ALA A 9 9.615 9.356 7.021 1.00 25.00 H new ATOM 0 HA ALA A 9 11.053 11.787 7.246 1.00 25.00 H new ATOM 0 HB1 ALA A 9 11.280 11.543 4.788 1.00 25.00 H new ATOM 0 HB2 ALA A 9 11.580 10.001 5.624 1.00 25.00 H new ATOM 0 HB3 ALA A 9 10.027 10.279 4.801 1.00 25.00 H new ATOM 155 N ALA A 10 7.986 12.016 6.069 1.00 25.00 N ATOM 156 CA ALA A 10 6.928 12.945 5.703 1.00 25.00 C ATOM 157 C ALA A 10 6.507 13.774 6.922 1.00 25.00 C ATOM 158 O ALA A 10 6.273 14.977 6.829 1.00 25.00 O ATOM 159 CB ALA A 10 5.764 12.179 5.154 1.00 25.00 C ATOM 0 H ALA A 10 7.698 11.038 6.087 1.00 25.00 H new ATOM 0 HA ALA A 10 7.293 13.630 4.938 1.00 25.00 H new ATOM 0 HB1 ALA A 10 4.969 12.872 4.879 1.00 25.00 H new ATOM 0 HB2 ALA A 10 6.079 11.620 4.273 1.00 25.00 H new ATOM 0 HB3 ALA A 10 5.395 11.486 5.910 1.00 25.00 H new ATOM 165 N LEU A 11 6.448 13.120 8.074 1.00 25.00 N ATOM 166 CA LEU A 11 6.112 13.791 9.334 1.00 25.00 C ATOM 167 C LEU A 11 7.193 14.763 9.720 1.00 25.00 C ATOM 168 O LEU A 11 6.917 15.858 10.204 1.00 25.00 O ATOM 169 CB LEU A 11 5.982 12.782 10.481 1.00 25.00 C ATOM 170 CG LEU A 11 4.846 11.755 10.385 1.00 25.00 C ATOM 171 CD1 LEU A 11 4.722 11.040 11.689 1.00 25.00 C ATOM 172 CD2 LEU A 11 3.543 12.393 9.998 1.00 25.00 C ATOM 0 H LEU A 11 6.629 12.120 8.168 1.00 25.00 H new ATOM 0 HA LEU A 11 5.165 14.306 9.174 1.00 25.00 H new ATOM 0 HB2 LEU A 11 6.923 12.238 10.561 1.00 25.00 H new ATOM 0 HB3 LEU A 11 5.856 13.340 11.409 1.00 25.00 H new ATOM 0 HG LEU A 11 5.090 11.042 9.598 1.00 25.00 H new ATOM 0 HD11 LEU A 11 3.916 10.308 11.628 1.00 25.00 H new ATOM 0 HD12 LEU A 11 5.659 10.530 11.915 1.00 25.00 H new ATOM 0 HD13 LEU A 11 4.500 11.758 12.478 1.00 25.00 H new ATOM 0 HD21 LEU A 11 2.767 11.630 9.942 1.00 25.00 H new ATOM 0 HD22 LEU A 11 3.267 13.137 10.745 1.00 25.00 H new ATOM 0 HD23 LEU A 11 3.649 12.875 9.026 1.00 25.00 H new ATOM 184 N ASN A 12 8.426 14.351 9.524 1.00 25.00 N ATOM 185 CA ASN A 12 9.561 15.175 9.876 1.00 25.00 C ATOM 186 C ASN A 12 9.565 16.408 8.989 1.00 25.00 C ATOM 187 O ASN A 12 9.924 17.476 9.429 1.00 25.00 O ATOM 188 CB ASN A 12 10.870 14.399 9.720 1.00 25.00 C ATOM 189 CG ASN A 12 10.993 13.262 10.718 1.00 25.00 C ATOM 190 OD1 ASN A 12 10.231 13.174 11.667 1.00 25.00 O ATOM 191 ND2 ASN A 12 11.974 12.406 10.523 1.00 25.00 N ATOM 0 H ASN A 12 8.669 13.446 9.121 1.00 25.00 H new ATOM 0 HA ASN A 12 9.478 15.473 10.921 1.00 25.00 H new ATOM 0 HB2 ASN A 12 10.933 13.999 8.708 1.00 25.00 H new ATOM 0 HB3 ASN A 12 11.711 15.081 9.846 1.00 25.00 H new ATOM 0 HD21 ASN A 12 12.117 11.637 11.177 1.00 25.00 H new ATOM 0 HD22 ASN A 12 12.591 12.512 9.718 1.00 25.00 H new ATOM 198 N SER A 13 9.134 16.257 7.739 1.00 25.00 N ATOM 199 CA SER A 13 9.096 17.378 6.799 1.00 25.00 C ATOM 200 C SER A 13 8.189 18.508 7.266 1.00 25.00 C ATOM 201 O SER A 13 8.611 19.661 7.348 1.00 25.00 O ATOM 202 CB SER A 13 8.629 16.895 5.431 1.00 25.00 C ATOM 203 OG SER A 13 9.534 15.955 4.893 1.00 25.00 O ATOM 0 H SER A 13 8.806 15.372 7.353 1.00 25.00 H new ATOM 0 HA SER A 13 10.110 17.772 6.739 1.00 25.00 H new ATOM 0 HB2 SER A 13 7.640 16.445 5.518 1.00 25.00 H new ATOM 0 HB3 SER A 13 8.535 17.744 4.754 1.00 25.00 H new ATOM 0 HG SER A 13 9.538 15.149 5.450 1.00 25.00 H new ATOM 209 N GLN A 14 6.937 18.190 7.565 1.00 25.00 N ATOM 210 CA GLN A 14 5.963 19.226 7.931 1.00 25.00 C ATOM 211 C GLN A 14 6.174 19.791 9.339 1.00 25.00 C ATOM 212 O GLN A 14 5.644 20.850 9.671 1.00 25.00 O ATOM 213 CB GLN A 14 4.526 18.691 7.812 1.00 25.00 C ATOM 214 CG GLN A 14 4.296 17.331 8.462 1.00 25.00 C ATOM 215 CD GLN A 14 3.042 17.272 9.303 1.00 25.00 C ATOM 216 OE1 GLN A 14 3.056 16.714 10.392 1.00 25.00 O ATOM 217 NE2 GLN A 14 1.963 17.840 8.825 1.00 25.00 N ATOM 0 H GLN A 14 6.569 17.239 7.564 1.00 25.00 H new ATOM 0 HA GLN A 14 6.122 20.041 7.225 1.00 25.00 H new ATOM 0 HB2 GLN A 14 3.845 19.413 8.263 1.00 25.00 H new ATOM 0 HB3 GLN A 14 4.265 18.623 6.756 1.00 25.00 H new ATOM 0 HG2 GLN A 14 4.239 16.570 7.684 1.00 25.00 H new ATOM 0 HG3 GLN A 14 5.155 17.085 9.086 1.00 25.00 H new ATOM 0 HE21 GLN A 14 1.988 18.296 7.913 1.00 25.00 H new ATOM 0 HE22 GLN A 14 1.098 17.826 9.365 1.00 25.00 H new ATOM 226 N THR A 15 6.946 19.105 10.170 1.00 25.00 N ATOM 227 CA THR A 15 7.158 19.551 11.557 1.00 25.00 C ATOM 228 C THR A 15 8.590 19.942 11.809 1.00 25.00 C ATOM 229 O THR A 15 8.969 20.202 12.941 1.00 25.00 O ATOM 230 CB THR A 15 6.766 18.465 12.575 1.00 25.00 C ATOM 231 OG1 THR A 15 7.552 17.290 12.356 1.00 25.00 O ATOM 232 CG2 THR A 15 5.316 18.107 12.425 1.00 25.00 C ATOM 0 H THR A 15 7.435 18.245 9.920 1.00 25.00 H new ATOM 0 HA THR A 15 6.516 20.422 11.689 1.00 25.00 H new ATOM 0 HB THR A 15 6.944 18.854 13.578 1.00 25.00 H new ATOM 0 HG1 THR A 15 7.376 16.941 11.457 1.00 25.00 H new ATOM 0 HG21 THR A 15 5.054 17.338 13.152 1.00 25.00 H new ATOM 0 HG22 THR A 15 4.703 18.992 12.596 1.00 25.00 H new ATOM 0 HG23 THR A 15 5.136 17.731 11.418 1.00 25.00 H new ATOM 240 N ALA A 16 9.381 20.012 10.748 1.00 25.00 N ATOM 241 CA ALA A 16 10.795 20.333 10.874 1.00 25.00 C ATOM 242 C ALA A 16 10.995 21.626 11.638 1.00 25.00 C ATOM 243 O ALA A 16 11.697 21.658 12.628 1.00 25.00 O ATOM 244 CB ALA A 16 11.434 20.437 9.485 1.00 25.00 C ATOM 0 H ALA A 16 9.068 19.851 9.791 1.00 25.00 H new ATOM 0 HA ALA A 16 11.278 19.532 11.433 1.00 25.00 H new ATOM 0 HB1 ALA A 16 12.492 20.677 9.588 1.00 25.00 H new ATOM 0 HB2 ALA A 16 11.327 19.486 8.963 1.00 25.00 H new ATOM 0 HB3 ALA A 16 10.938 21.222 8.914 1.00 25.00 H new ATOM 250 N VAL A 17 10.370 22.697 11.178 1.00 25.00 N ATOM 251 CA VAL A 17 10.544 24.005 11.803 1.00 25.00 C ATOM 252 C VAL A 17 9.866 24.012 13.172 1.00 25.00 C ATOM 253 O VAL A 17 10.364 24.617 14.100 1.00 25.00 O ATOM 254 CB VAL A 17 10.014 25.150 10.865 1.00 25.00 C ATOM 255 CG1 VAL A 17 8.499 25.053 10.652 1.00 25.00 C ATOM 256 CG2 VAL A 17 10.383 26.522 11.427 1.00 25.00 C ATOM 0 H VAL A 17 9.739 22.691 10.377 1.00 25.00 H new ATOM 0 HA VAL A 17 11.606 24.197 11.955 1.00 25.00 H new ATOM 0 HB VAL A 17 10.495 25.025 9.895 1.00 25.00 H new ATOM 0 HG11 VAL A 17 8.171 25.861 9.998 1.00 25.00 H new ATOM 0 HG12 VAL A 17 8.257 24.094 10.193 1.00 25.00 H new ATOM 0 HG13 VAL A 17 7.991 25.134 11.613 1.00 25.00 H new ATOM 0 HG21 VAL A 17 10.007 27.300 10.763 1.00 25.00 H new ATOM 0 HG22 VAL A 17 9.939 26.642 12.415 1.00 25.00 H new ATOM 0 HG23 VAL A 17 11.467 26.604 11.505 1.00 25.00 H new ATOM 266 N GLN A 18 8.763 23.290 13.324 1.00 25.00 N ATOM 267 CA GLN A 18 8.044 23.256 14.600 1.00 25.00 C ATOM 268 C GLN A 18 8.901 22.632 15.699 1.00 25.00 C ATOM 269 O GLN A 18 8.989 23.153 16.805 1.00 25.00 O ATOM 270 CB GLN A 18 6.731 22.479 14.446 1.00 25.00 C ATOM 271 CG GLN A 18 5.888 22.972 13.278 1.00 25.00 C ATOM 272 CD GLN A 18 4.487 22.397 13.277 1.00 25.00 C ATOM 273 OE1 GLN A 18 3.774 22.495 14.259 1.00 25.00 O ATOM 274 NE2 GLN A 18 4.088 21.815 12.178 1.00 25.00 N ATOM 0 H GLN A 18 8.345 22.722 12.587 1.00 25.00 H new ATOM 0 HA GLN A 18 7.819 24.282 14.890 1.00 25.00 H new ATOM 0 HB2 GLN A 18 6.954 21.421 14.306 1.00 25.00 H new ATOM 0 HB3 GLN A 18 6.154 22.564 15.367 1.00 25.00 H new ATOM 0 HG2 GLN A 18 5.829 24.060 13.313 1.00 25.00 H new ATOM 0 HG3 GLN A 18 6.383 22.710 12.343 1.00 25.00 H new ATOM 0 HE21 GLN A 18 4.716 21.753 11.377 1.00 25.00 H new ATOM 0 HE22 GLN A 18 3.148 21.422 12.121 1.00 25.00 H new ATOM 283 N PHE A 19 9.549 21.518 15.399 1.00 25.00 N ATOM 284 CA PHE A 19 10.408 20.851 16.375 1.00 25.00 C ATOM 285 C PHE A 19 11.691 21.642 16.582 1.00 25.00 C ATOM 286 O PHE A 19 12.183 21.734 17.697 1.00 25.00 O ATOM 287 CB PHE A 19 10.742 19.429 15.911 1.00 25.00 C ATOM 288 CG PHE A 19 9.562 18.471 15.904 1.00 25.00 C ATOM 289 CD1 PHE A 19 8.383 18.719 16.653 1.00 25.00 C ATOM 290 CD2 PHE A 19 9.646 17.269 15.166 1.00 25.00 C ATOM 291 CE1 PHE A 19 7.321 17.795 16.658 1.00 25.00 C ATOM 292 CE2 PHE A 19 8.577 16.334 15.169 1.00 25.00 C ATOM 293 CZ PHE A 19 7.421 16.601 15.921 1.00 25.00 C ATOM 0 H PHE A 19 9.500 21.055 14.492 1.00 25.00 H new ATOM 0 HA PHE A 19 9.871 20.796 17.322 1.00 25.00 H new ATOM 0 HB2 PHE A 19 11.159 19.478 14.905 1.00 25.00 H new ATOM 0 HB3 PHE A 19 11.519 19.023 16.559 1.00 25.00 H new ATOM 0 HD1 PHE A 19 8.299 19.630 17.228 1.00 25.00 H new ATOM 0 HD2 PHE A 19 10.536 17.058 14.591 1.00 25.00 H new ATOM 0 HE1 PHE A 19 6.428 18.003 17.229 1.00 25.00 H new ATOM 0 HE2 PHE A 19 8.653 15.422 14.596 1.00 25.00 H new ATOM 0 HZ PHE A 19 6.609 15.889 15.933 1.00 25.00 H new ATOM 303 N GLN A 20 12.216 22.226 15.516 1.00 25.00 N ATOM 304 CA GLN A 20 13.452 22.998 15.602 1.00 25.00 C ATOM 305 C GLN A 20 13.281 24.237 16.458 1.00 25.00 C ATOM 306 O GLN A 20 14.159 24.568 17.235 1.00 25.00 O ATOM 307 CB GLN A 20 13.922 23.388 14.200 1.00 25.00 C ATOM 308 CG GLN A 20 14.732 22.278 13.528 1.00 25.00 C ATOM 309 CD GLN A 20 15.150 22.633 12.110 1.00 25.00 C ATOM 310 OE1 GLN A 20 16.317 22.765 11.814 1.00 25.00 O ATOM 311 NE2 GLN A 20 14.190 22.800 11.235 1.00 25.00 N ATOM 0 H GLN A 20 11.809 22.182 14.582 1.00 25.00 H new ATOM 0 HA GLN A 20 14.206 22.370 16.077 1.00 25.00 H new ATOM 0 HB2 GLN A 20 13.056 23.627 13.583 1.00 25.00 H new ATOM 0 HB3 GLN A 20 14.529 24.291 14.261 1.00 25.00 H new ATOM 0 HG2 GLN A 20 15.621 22.071 14.124 1.00 25.00 H new ATOM 0 HG3 GLN A 20 14.141 21.363 13.510 1.00 25.00 H new ATOM 0 HE21 GLN A 20 13.217 22.681 11.517 1.00 25.00 H new ATOM 0 HE22 GLN A 20 14.415 23.049 10.272 1.00 25.00 H new ATOM 320 N GLN A 21 12.137 24.909 16.361 1.00 25.00 N ATOM 321 CA GLN A 21 11.888 26.090 17.182 1.00 25.00 C ATOM 322 C GLN A 21 11.833 25.692 18.652 1.00 25.00 C ATOM 323 O GLN A 21 12.409 26.360 19.505 1.00 25.00 O ATOM 324 CB GLN A 21 10.568 26.755 16.782 1.00 25.00 C ATOM 325 CG GLN A 21 10.642 27.567 15.483 1.00 25.00 C ATOM 326 CD GLN A 21 11.704 28.644 15.536 1.00 25.00 C ATOM 327 OE1 GLN A 21 11.839 29.348 16.521 1.00 25.00 O ATOM 328 NE2 GLN A 21 12.451 28.784 14.475 1.00 25.00 N ATOM 0 H GLN A 21 11.376 24.660 15.730 1.00 25.00 H new ATOM 0 HA GLN A 21 12.700 26.800 17.025 1.00 25.00 H new ATOM 0 HB2 GLN A 21 9.804 25.985 16.673 1.00 25.00 H new ATOM 0 HB3 GLN A 21 10.245 27.412 17.590 1.00 25.00 H new ATOM 0 HG2 GLN A 21 10.850 26.896 14.650 1.00 25.00 H new ATOM 0 HG3 GLN A 21 9.673 28.026 15.289 1.00 25.00 H new ATOM 0 HE21 GLN A 21 12.310 28.176 13.668 1.00 25.00 H new ATOM 0 HE22 GLN A 21 13.176 29.501 14.453 1.00 25.00 H new ATOM 337 N TYR A 22 11.181 24.581 18.952 1.00 25.00 N ATOM 338 CA TYR A 22 11.124 24.116 20.329 1.00 25.00 C ATOM 339 C TYR A 22 12.500 23.701 20.842 1.00 25.00 C ATOM 340 O TYR A 22 12.880 24.002 21.966 1.00 25.00 O ATOM 341 CB TYR A 22 10.160 22.950 20.469 1.00 25.00 C ATOM 342 CG TYR A 22 9.950 22.608 21.922 1.00 25.00 C ATOM 343 CD1 TYR A 22 9.469 23.586 22.815 1.00 25.00 C ATOM 344 CD2 TYR A 22 10.269 21.334 22.427 1.00 25.00 C ATOM 345 CE1 TYR A 22 9.312 23.303 24.191 1.00 25.00 C ATOM 346 CE2 TYR A 22 10.104 21.040 23.800 1.00 25.00 C ATOM 347 CZ TYR A 22 9.629 22.026 24.670 1.00 25.00 C ATOM 348 OH TYR A 22 9.488 21.733 26.000 1.00 25.00 O ATOM 0 H TYR A 22 10.692 23.994 18.276 1.00 25.00 H new ATOM 0 HA TYR A 22 10.768 24.952 20.931 1.00 25.00 H new ATOM 0 HB2 TYR A 22 9.205 23.203 20.007 1.00 25.00 H new ATOM 0 HB3 TYR A 22 10.551 22.082 19.938 1.00 25.00 H new ATOM 0 HD1 TYR A 22 9.216 24.568 22.442 1.00 25.00 H new ATOM 0 HD2 TYR A 22 10.644 20.573 21.759 1.00 25.00 H new ATOM 0 HE1 TYR A 22 8.951 24.064 24.866 1.00 25.00 H new ATOM 0 HE2 TYR A 22 10.344 20.056 24.176 1.00 25.00 H new ATOM 0 HH TYR A 22 9.751 20.803 26.160 1.00 25.00 H new ATOM 358 N ALA A 23 13.261 23.026 20.009 1.00 25.00 N ATOM 359 CA ALA A 23 14.590 22.600 20.396 1.00 25.00 C ATOM 360 C ALA A 23 15.469 23.827 20.680 1.00 25.00 C ATOM 361 O ALA A 23 16.292 23.796 21.589 1.00 25.00 O ATOM 362 CB ALA A 23 15.192 21.724 19.290 1.00 25.00 C ATOM 0 H ALA A 23 12.985 22.761 19.063 1.00 25.00 H new ATOM 0 HA ALA A 23 14.536 22.007 21.309 1.00 25.00 H new ATOM 0 HB1 ALA A 23 16.192 21.404 19.583 1.00 25.00 H new ATOM 0 HB2 ALA A 23 14.562 20.848 19.136 1.00 25.00 H new ATOM 0 HB3 ALA A 23 15.251 22.296 18.364 1.00 25.00 H new ATOM 368 N ALA A 24 15.265 24.902 19.934 1.00 25.00 N ATOM 369 CA ALA A 24 16.038 26.125 20.102 1.00 25.00 C ATOM 370 C ALA A 24 15.649 26.865 21.381 1.00 25.00 C ATOM 371 O ALA A 24 16.517 27.426 22.021 1.00 25.00 O ATOM 372 CB ALA A 24 15.851 27.036 18.878 1.00 25.00 C ATOM 0 H ALA A 24 14.562 24.952 19.197 1.00 25.00 H new ATOM 0 HA ALA A 24 17.089 25.850 20.188 1.00 25.00 H new ATOM 0 HB1 ALA A 24 16.432 27.948 19.011 1.00 25.00 H new ATOM 0 HB2 ALA A 24 16.192 26.516 17.982 1.00 25.00 H new ATOM 0 HB3 ALA A 24 14.796 27.290 18.771 1.00 25.00 H new ATOM 378 N GLN A 25 14.378 26.863 21.775 1.00 25.00 N ATOM 379 CA GLN A 25 14.006 27.542 23.015 1.00 25.00 C ATOM 380 C GLN A 25 14.495 26.769 24.249 1.00 25.00 C ATOM 381 O GLN A 25 14.756 27.349 25.290 1.00 25.00 O ATOM 382 CB GLN A 25 12.490 27.798 23.099 1.00 25.00 C ATOM 383 CG GLN A 25 11.614 26.577 23.356 1.00 25.00 C ATOM 384 CD GLN A 25 10.177 26.927 23.665 1.00 25.00 C ATOM 385 OE1 GLN A 25 9.351 27.076 22.776 1.00 25.00 O ATOM 386 NE2 GLN A 25 9.866 27.026 24.931 1.00 25.00 N ATOM 0 H GLN A 25 13.611 26.415 21.274 1.00 25.00 H new ATOM 0 HA GLN A 25 14.504 28.511 23.003 1.00 25.00 H new ATOM 0 HB2 GLN A 25 12.309 28.523 23.893 1.00 25.00 H new ATOM 0 HB3 GLN A 25 12.168 28.260 22.166 1.00 25.00 H new ATOM 0 HG2 GLN A 25 11.642 25.927 22.481 1.00 25.00 H new ATOM 0 HG3 GLN A 25 12.029 26.009 24.188 1.00 25.00 H new ATOM 0 HE21 GLN A 25 10.583 26.895 25.644 1.00 25.00 H new ATOM 0 HE22 GLN A 25 8.906 27.234 25.206 1.00 25.00 H new ATOM 395 N GLN A 26 14.612 25.454 24.125 1.00 25.00 N ATOM 396 CA GLN A 26 15.052 24.627 25.248 1.00 25.00 C ATOM 397 C GLN A 26 16.560 24.492 25.333 1.00 25.00 C ATOM 398 O GLN A 26 17.125 24.490 26.417 1.00 25.00 O ATOM 399 CB GLN A 26 14.463 23.213 25.127 1.00 25.00 C ATOM 400 CG GLN A 26 12.932 23.137 25.235 1.00 25.00 C ATOM 401 CD GLN A 26 12.383 23.728 26.522 1.00 25.00 C ATOM 402 OE1 GLN A 26 11.424 24.486 26.492 1.00 25.00 O ATOM 403 NE2 GLN A 26 12.958 23.372 27.633 1.00 25.00 N ATOM 0 H GLN A 26 14.411 24.938 23.268 1.00 25.00 H new ATOM 0 HA GLN A 26 14.699 25.132 26.147 1.00 25.00 H new ATOM 0 HB2 GLN A 26 14.766 22.790 24.169 1.00 25.00 H new ATOM 0 HB3 GLN A 26 14.899 22.586 25.905 1.00 25.00 H new ATOM 0 HG2 GLN A 26 12.490 23.660 24.387 1.00 25.00 H new ATOM 0 HG3 GLN A 26 12.622 22.094 25.163 1.00 25.00 H new ATOM 0 HE21 GLN A 26 13.756 22.737 27.614 1.00 25.00 H new ATOM 0 HE22 GLN A 26 12.611 23.728 28.524 1.00 25.00 H new ATOM 412 N TYR A 27 17.218 24.346 24.189 1.00 25.00 N ATOM 413 CA TYR A 27 18.669 24.159 24.145 1.00 25.00 C ATOM 414 C TYR A 27 19.298 25.069 23.115 1.00 25.00 C ATOM 415 O TYR A 27 19.803 24.596 22.085 1.00 25.00 O ATOM 416 CB TYR A 27 18.999 22.708 23.816 1.00 25.00 C ATOM 417 CG TYR A 27 18.267 21.736 24.715 1.00 25.00 C ATOM 418 CD1 TYR A 27 18.616 21.616 26.072 1.00 25.00 C ATOM 419 CD2 TYR A 27 17.205 20.951 24.221 1.00 25.00 C ATOM 420 CE1 TYR A 27 17.909 20.726 26.927 1.00 25.00 C ATOM 421 CE2 TYR A 27 16.498 20.064 25.075 1.00 25.00 C ATOM 422 CZ TYR A 27 16.855 19.967 26.420 1.00 25.00 C ATOM 423 OH TYR A 27 16.165 19.110 27.246 1.00 25.00 O ATOM 0 H TYR A 27 16.769 24.353 23.273 1.00 25.00 H new ATOM 0 HA TYR A 27 19.074 24.410 25.125 1.00 25.00 H new ATOM 0 HB2 TYR A 27 18.739 22.505 22.777 1.00 25.00 H new ATOM 0 HB3 TYR A 27 20.073 22.551 23.913 1.00 25.00 H new ATOM 0 HD1 TYR A 27 19.429 22.206 26.469 1.00 25.00 H new ATOM 0 HD2 TYR A 27 16.926 21.025 23.180 1.00 25.00 H new ATOM 0 HE1 TYR A 27 18.188 20.638 27.967 1.00 25.00 H new ATOM 0 HE2 TYR A 27 15.687 19.467 24.685 1.00 25.00 H new ATOM 0 HH TYR A 27 15.461 18.659 26.735 1.00 25.00 H new ATOM 433 N PRO A 28 19.262 26.385 23.339 1.00 25.00 N ATOM 434 CA PRO A 28 19.774 27.249 22.269 1.00 25.00 C ATOM 435 C PRO A 28 21.277 27.049 22.071 1.00 25.00 C ATOM 436 O PRO A 28 22.029 26.825 23.019 1.00 25.00 O ATOM 437 CB PRO A 28 19.455 28.660 22.773 1.00 25.00 C ATOM 438 CG PRO A 28 19.321 28.522 24.259 1.00 25.00 C ATOM 439 CD PRO A 28 18.733 27.172 24.472 1.00 25.00 C ATOM 0 HA PRO A 28 19.328 27.038 21.297 1.00 25.00 H new ATOM 0 HB2 PRO A 28 20.248 29.361 22.512 1.00 25.00 H new ATOM 0 HB3 PRO A 28 18.535 29.039 22.328 1.00 25.00 H new ATOM 0 HG2 PRO A 28 20.289 28.613 24.752 1.00 25.00 H new ATOM 0 HG3 PRO A 28 18.679 29.301 24.671 1.00 25.00 H new ATOM 0 HD2 PRO A 28 19.034 26.749 25.430 1.00 25.00 H new ATOM 0 HD3 PRO A 28 17.643 27.203 24.466 1.00 25.00 H new ATOM 447 N GLY A 29 21.705 27.075 20.816 1.00 25.00 N ATOM 448 CA GLY A 29 23.107 26.882 20.480 1.00 25.00 C ATOM 449 C GLY A 29 23.608 25.448 20.507 1.00 25.00 C ATOM 450 O GLY A 29 24.563 25.102 19.789 1.00 25.00 O ATOM 0 H GLY A 29 21.097 27.229 20.011 1.00 25.00 H new ATOM 0 HA2 GLY A 29 23.280 27.287 19.483 1.00 25.00 H new ATOM 0 HA3 GLY A 29 23.710 27.470 21.172 1.00 25.00 H new ATOM 454 N ASN A 30 23.001 24.588 21.314 1.00 25.00 N ATOM 455 CA ASN A 30 23.515 23.226 21.478 1.00 25.00 C ATOM 456 C ASN A 30 22.879 22.300 20.465 1.00 25.00 C ATOM 457 O ASN A 30 21.884 21.643 20.766 1.00 25.00 O ATOM 458 CB ASN A 30 23.276 22.708 22.902 1.00 25.00 C ATOM 459 CG ASN A 30 24.069 23.455 23.930 1.00 25.00 C ATOM 460 OD1 ASN A 30 25.140 23.952 23.656 1.00 25.00 O ATOM 461 ND2 ASN A 30 23.559 23.511 25.133 1.00 25.00 N ATOM 0 H ASN A 30 22.165 24.800 21.859 1.00 25.00 H new ATOM 0 HA ASN A 30 24.591 23.249 21.308 1.00 25.00 H new ATOM 0 HB2 ASN A 30 22.215 22.787 23.140 1.00 25.00 H new ATOM 0 HB3 ASN A 30 23.535 21.650 22.948 1.00 25.00 H new ATOM 0 HD21 ASN A 30 24.066 23.986 25.880 1.00 25.00 H new ATOM 0 HD22 ASN A 30 22.654 23.080 25.324 1.00 25.00 H new ATOM 468 N TYR A 31 23.445 22.259 19.270 1.00 25.00 N ATOM 469 CA TYR A 31 22.884 21.456 18.179 1.00 25.00 C ATOM 470 C TYR A 31 22.721 19.978 18.552 1.00 25.00 C ATOM 471 O TYR A 31 21.777 19.330 18.098 1.00 25.00 O ATOM 472 CB TYR A 31 23.760 21.592 16.924 1.00 25.00 C ATOM 473 CG TYR A 31 25.197 21.124 17.120 1.00 25.00 C ATOM 474 CD1 TYR A 31 25.554 19.767 16.926 1.00 25.00 C ATOM 475 CD2 TYR A 31 26.200 22.031 17.499 1.00 25.00 C ATOM 476 CE1 TYR A 31 26.885 19.330 17.127 1.00 25.00 C ATOM 477 CE2 TYR A 31 27.548 21.594 17.691 1.00 25.00 C ATOM 478 CZ TYR A 31 27.867 20.245 17.508 1.00 25.00 C ATOM 479 OH TYR A 31 29.151 19.806 17.712 1.00 25.00 O ATOM 0 H TYR A 31 24.293 22.770 19.024 1.00 25.00 H new ATOM 0 HA TYR A 31 21.885 21.843 17.978 1.00 25.00 H new ATOM 0 HB2 TYR A 31 23.309 21.019 16.114 1.00 25.00 H new ATOM 0 HB3 TYR A 31 23.768 22.636 16.610 1.00 25.00 H new ATOM 0 HD1 TYR A 31 24.800 19.056 16.621 1.00 25.00 H new ATOM 0 HD2 TYR A 31 25.950 23.071 17.647 1.00 25.00 H new ATOM 0 HE1 TYR A 31 27.140 18.290 16.986 1.00 25.00 H new ATOM 0 HE2 TYR A 31 28.314 22.301 17.975 1.00 25.00 H new ATOM 0 HH TYR A 31 29.718 20.562 17.972 1.00 25.00 H new ATOM 489 N GLU A 32 23.612 19.441 19.379 1.00 25.00 N ATOM 490 CA GLU A 32 23.519 18.033 19.769 1.00 25.00 C ATOM 491 C GLU A 32 22.277 17.816 20.624 1.00 25.00 C ATOM 492 O GLU A 32 21.441 16.972 20.329 1.00 25.00 O ATOM 493 CB GLU A 32 24.762 17.632 20.557 1.00 25.00 C ATOM 494 CG GLU A 32 24.838 16.141 20.816 1.00 25.00 C ATOM 495 CD GLU A 32 26.021 15.767 21.685 1.00 25.00 C ATOM 496 OE1 GLU A 32 27.109 16.365 21.521 1.00 25.00 O ATOM 497 OE2 GLU A 32 25.861 14.878 22.540 1.00 25.00 O ATOM 0 H GLU A 32 24.397 19.948 19.789 1.00 25.00 H new ATOM 0 HA GLU A 32 23.449 17.418 18.872 1.00 25.00 H new ATOM 0 HB2 GLU A 32 25.651 17.947 20.010 1.00 25.00 H new ATOM 0 HB3 GLU A 32 24.770 18.162 21.509 1.00 25.00 H new ATOM 0 HG2 GLU A 32 23.918 15.811 21.298 1.00 25.00 H new ATOM 0 HG3 GLU A 32 24.907 15.613 19.865 1.00 25.00 H new ATOM 504 N GLN A 33 22.125 18.641 21.649 1.00 25.00 N ATOM 505 CA GLN A 33 20.972 18.564 22.534 1.00 25.00 C ATOM 506 C GLN A 33 19.687 18.831 21.764 1.00 25.00 C ATOM 507 O GLN A 33 18.660 18.209 22.020 1.00 25.00 O ATOM 508 CB GLN A 33 21.102 19.581 23.663 1.00 25.00 C ATOM 509 CG GLN A 33 21.530 18.991 25.008 1.00 25.00 C ATOM 510 CD GLN A 33 20.686 17.793 25.426 1.00 25.00 C ATOM 511 OE1 GLN A 33 21.192 16.724 25.699 1.00 25.00 O ATOM 512 NE2 GLN A 33 19.398 17.977 25.459 1.00 25.00 N ATOM 0 H GLN A 33 22.790 19.376 21.890 1.00 25.00 H new ATOM 0 HA GLN A 33 20.935 17.559 22.954 1.00 25.00 H new ATOM 0 HB2 GLN A 33 21.826 20.341 23.368 1.00 25.00 H new ATOM 0 HB3 GLN A 33 20.144 20.086 23.791 1.00 25.00 H new ATOM 0 HG2 GLN A 33 22.576 18.690 24.950 1.00 25.00 H new ATOM 0 HG3 GLN A 33 21.462 19.762 25.775 1.00 25.00 H new ATOM 0 HE21 GLN A 33 19.007 18.889 25.223 1.00 25.00 H new ATOM 0 HE22 GLN A 33 18.780 17.209 25.721 1.00 25.00 H new ATOM 521 N GLN A 34 19.765 19.716 20.796 1.00 25.00 N ATOM 522 CA GLN A 34 18.622 20.010 19.947 1.00 25.00 C ATOM 523 C GLN A 34 18.199 18.770 19.171 1.00 25.00 C ATOM 524 O GLN A 34 17.021 18.439 19.127 1.00 25.00 O ATOM 525 CB GLN A 34 18.959 21.157 18.985 1.00 25.00 C ATOM 526 CG GLN A 34 18.927 22.529 19.618 1.00 25.00 C ATOM 527 CD GLN A 34 19.345 23.617 18.655 1.00 25.00 C ATOM 528 OE1 GLN A 34 19.307 23.444 17.452 1.00 25.00 O ATOM 529 NE2 GLN A 34 19.739 24.739 19.186 1.00 25.00 N ATOM 0 H GLN A 34 20.607 20.248 20.573 1.00 25.00 H new ATOM 0 HA GLN A 34 17.789 20.318 20.579 1.00 25.00 H new ATOM 0 HB2 GLN A 34 19.951 20.986 18.567 1.00 25.00 H new ATOM 0 HB3 GLN A 34 18.255 21.137 18.153 1.00 25.00 H new ATOM 0 HG2 GLN A 34 17.920 22.736 19.981 1.00 25.00 H new ATOM 0 HG3 GLN A 34 19.587 22.542 20.485 1.00 25.00 H new ATOM 0 HE21 GLN A 34 19.757 24.845 20.200 1.00 25.00 H new ATOM 0 HE22 GLN A 34 20.030 25.512 18.588 1.00 25.00 H new ATOM 538 N GLN A 35 19.156 18.062 18.588 1.00 25.00 N ATOM 539 CA GLN A 35 18.845 16.851 17.831 1.00 25.00 C ATOM 540 C GLN A 35 18.278 15.765 18.725 1.00 25.00 C ATOM 541 O GLN A 35 17.345 15.081 18.332 1.00 25.00 O ATOM 542 CB GLN A 35 20.113 16.304 17.181 1.00 25.00 C ATOM 543 CG GLN A 35 20.593 17.108 16.001 1.00 25.00 C ATOM 544 CD GLN A 35 19.753 16.887 14.763 1.00 25.00 C ATOM 545 OE1 GLN A 35 19.505 15.760 14.373 1.00 25.00 O ATOM 546 NE2 GLN A 35 19.329 17.956 14.136 1.00 25.00 N ATOM 0 H GLN A 35 20.147 18.300 18.622 1.00 25.00 H new ATOM 0 HA GLN A 35 18.105 17.123 17.078 1.00 25.00 H new ATOM 0 HB2 GLN A 35 20.905 16.267 17.929 1.00 25.00 H new ATOM 0 HB3 GLN A 35 19.931 15.279 16.859 1.00 25.00 H new ATOM 0 HG2 GLN A 35 20.581 18.167 16.259 1.00 25.00 H new ATOM 0 HG3 GLN A 35 21.628 16.845 15.784 1.00 25.00 H new ATOM 0 HE21 GLN A 35 19.558 18.883 14.495 1.00 25.00 H new ATOM 0 HE22 GLN A 35 18.769 17.862 13.288 1.00 25.00 H new ATOM 555 N ILE A 36 18.818 15.624 19.923 1.00 25.00 N ATOM 556 CA ILE A 36 18.323 14.623 20.867 1.00 25.00 C ATOM 557 C ILE A 36 16.849 14.875 21.183 1.00 25.00 C ATOM 558 O ILE A 36 16.033 13.950 21.150 1.00 25.00 O ATOM 559 CB ILE A 36 19.153 14.629 22.191 1.00 25.00 C ATOM 560 CG1 ILE A 36 20.609 14.208 21.900 1.00 25.00 C ATOM 561 CG2 ILE A 36 18.533 13.674 23.257 1.00 25.00 C ATOM 562 CD1 ILE A 36 21.609 14.610 22.982 1.00 25.00 C ATOM 0 H ILE A 36 19.596 16.185 20.269 1.00 25.00 H new ATOM 0 HA ILE A 36 18.432 13.645 20.399 1.00 25.00 H new ATOM 0 HB ILE A 36 19.136 15.642 22.593 1.00 25.00 H new ATOM 0 HG12 ILE A 36 20.643 13.126 21.774 1.00 25.00 H new ATOM 0 HG13 ILE A 36 20.920 14.649 20.953 1.00 25.00 H new ATOM 0 HG21 ILE A 36 19.135 13.703 24.165 1.00 25.00 H new ATOM 0 HG22 ILE A 36 17.517 13.995 23.485 1.00 25.00 H new ATOM 0 HG23 ILE A 36 18.513 12.657 22.866 1.00 25.00 H new ATOM 0 HD11 ILE A 36 22.607 14.276 22.698 1.00 25.00 H new ATOM 0 HD12 ILE A 36 21.608 15.694 23.094 1.00 25.00 H new ATOM 0 HD13 ILE A 36 21.327 14.147 23.928 1.00 25.00 H new ATOM 574 N LEU A 37 16.482 16.122 21.435 1.00 25.00 N ATOM 575 CA LEU A 37 15.091 16.456 21.722 1.00 25.00 C ATOM 576 C LEU A 37 14.210 16.213 20.481 1.00 25.00 C ATOM 577 O LEU A 37 13.094 15.688 20.590 1.00 25.00 O ATOM 578 CB LEU A 37 14.998 17.922 22.157 1.00 25.00 C ATOM 579 CG LEU A 37 13.592 18.490 22.412 1.00 25.00 C ATOM 580 CD1 LEU A 37 12.787 17.692 23.427 1.00 25.00 C ATOM 581 CD2 LEU A 37 13.689 19.948 22.881 1.00 25.00 C ATOM 0 H LEU A 37 17.121 16.917 21.447 1.00 25.00 H new ATOM 0 HA LEU A 37 14.731 15.816 22.528 1.00 25.00 H new ATOM 0 HB2 LEU A 37 15.582 18.041 23.070 1.00 25.00 H new ATOM 0 HB3 LEU A 37 15.476 18.533 21.391 1.00 25.00 H new ATOM 0 HG LEU A 37 13.063 18.424 21.461 1.00 25.00 H new ATOM 0 HD11 LEU A 37 11.807 18.151 23.556 1.00 25.00 H new ATOM 0 HD12 LEU A 37 12.665 16.669 23.071 1.00 25.00 H new ATOM 0 HD13 LEU A 37 13.312 17.683 24.382 1.00 25.00 H new ATOM 0 HD21 LEU A 37 12.688 20.340 23.059 1.00 25.00 H new ATOM 0 HD22 LEU A 37 14.266 19.996 23.804 1.00 25.00 H new ATOM 0 HD23 LEU A 37 14.182 20.545 22.114 1.00 25.00 H new ATOM 593 N ILE A 38 14.720 16.565 19.312 1.00 25.00 N ATOM 594 CA ILE A 38 13.966 16.371 18.062 1.00 25.00 C ATOM 595 C ILE A 38 13.698 14.876 17.859 1.00 25.00 C ATOM 596 O ILE A 38 12.596 14.511 17.486 1.00 25.00 O ATOM 597 CB ILE A 38 14.731 16.970 16.841 1.00 25.00 C ATOM 598 CG1 ILE A 38 14.702 18.507 16.920 1.00 25.00 C ATOM 599 CG2 ILE A 38 14.091 16.529 15.500 1.00 25.00 C ATOM 600 CD1 ILE A 38 15.763 19.214 16.062 1.00 25.00 C ATOM 0 H ILE A 38 15.643 16.983 19.192 1.00 25.00 H new ATOM 0 HA ILE A 38 13.016 16.899 18.138 1.00 25.00 H new ATOM 0 HB ILE A 38 15.757 16.603 16.876 1.00 25.00 H new ATOM 0 HG12 ILE A 38 13.716 18.855 16.613 1.00 25.00 H new ATOM 0 HG13 ILE A 38 14.836 18.806 17.959 1.00 25.00 H new ATOM 0 HG21 ILE A 38 14.648 16.964 14.670 1.00 25.00 H new ATOM 0 HG22 ILE A 38 14.117 15.442 15.424 1.00 25.00 H new ATOM 0 HG23 ILE A 38 13.057 16.871 15.461 1.00 25.00 H new ATOM 0 HD11 ILE A 38 15.667 20.293 16.181 1.00 25.00 H new ATOM 0 HD12 ILE A 38 16.757 18.901 16.382 1.00 25.00 H new ATOM 0 HD13 ILE A 38 15.619 18.950 15.014 1.00 25.00 H new ATOM 612 N ARG A 39 14.664 14.012 18.162 1.00 25.00 N ATOM 613 CA ARG A 39 14.454 12.563 18.016 1.00 25.00 C ATOM 614 C ARG A 39 13.236 12.086 18.807 1.00 25.00 C ATOM 615 O ARG A 39 12.416 11.308 18.298 1.00 25.00 O ATOM 616 CB ARG A 39 15.669 11.776 18.504 1.00 25.00 C ATOM 617 CG ARG A 39 16.907 11.880 17.641 1.00 25.00 C ATOM 618 CD ARG A 39 18.085 11.341 18.421 1.00 25.00 C ATOM 619 NE ARG A 39 19.370 11.668 17.791 1.00 25.00 N ATOM 620 CZ ARG A 39 20.562 11.400 18.307 1.00 25.00 C ATOM 621 NH1 ARG A 39 20.716 10.805 19.464 1.00 25.00 N ATOM 622 NH2 ARG A 39 21.630 11.749 17.649 1.00 25.00 N ATOM 0 H ARG A 39 15.587 14.278 18.505 1.00 25.00 H new ATOM 0 HA ARG A 39 14.294 12.384 16.953 1.00 25.00 H new ATOM 0 HB2 ARG A 39 15.919 12.116 19.509 1.00 25.00 H new ATOM 0 HB3 ARG A 39 15.391 10.725 18.583 1.00 25.00 H new ATOM 0 HG2 ARG A 39 16.774 11.315 16.718 1.00 25.00 H new ATOM 0 HG3 ARG A 39 17.084 12.917 17.357 1.00 25.00 H new ATOM 0 HD2 ARG A 39 18.065 11.748 19.432 1.00 25.00 H new ATOM 0 HD3 ARG A 39 17.993 10.259 18.512 1.00 25.00 H new ATOM 0 HE ARG A 39 19.344 12.138 16.886 1.00 25.00 H new ATOM 0 HH11 ARG A 39 19.899 10.528 20.008 1.00 25.00 H new ATOM 0 HH12 ARG A 39 21.653 10.619 19.821 1.00 25.00 H new ATOM 0 HH21 ARG A 39 21.543 12.222 16.749 1.00 25.00 H new ATOM 0 HH22 ARG A 39 22.554 11.550 18.033 1.00 25.00 H new ATOM 636 N GLN A 40 13.125 12.553 20.039 1.00 25.00 N ATOM 637 CA GLN A 40 12.027 12.154 20.917 1.00 25.00 C ATOM 638 C GLN A 40 10.701 12.632 20.356 1.00 25.00 C ATOM 639 O GLN A 40 9.708 11.920 20.358 1.00 25.00 O ATOM 640 CB GLN A 40 12.214 12.758 22.323 1.00 25.00 C ATOM 641 CG GLN A 40 13.521 12.343 23.018 1.00 25.00 C ATOM 642 CD GLN A 40 13.650 10.846 23.171 1.00 25.00 C ATOM 643 OE1 GLN A 40 12.747 10.189 23.641 1.00 25.00 O ATOM 644 NE2 GLN A 40 14.770 10.303 22.762 1.00 25.00 N ATOM 0 H GLN A 40 13.782 13.211 20.459 1.00 25.00 H new ATOM 0 HA GLN A 40 12.029 11.066 20.982 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.186 13.845 22.246 1.00 25.00 H new ATOM 0 HB3 GLN A 40 11.373 12.461 22.949 1.00 25.00 H new ATOM 0 HG2 GLN A 40 14.368 12.720 22.445 1.00 25.00 H new ATOM 0 HG3 GLN A 40 13.569 12.810 24.002 1.00 25.00 H new ATOM 0 HE21 GLN A 40 15.508 10.889 22.372 1.00 25.00 H new ATOM 0 HE22 GLN A 40 14.904 9.294 22.834 1.00 25.00 H new ATOM 653 N LEU A 41 10.696 13.864 19.875 1.00 25.00 N ATOM 654 CA LEU A 41 9.504 14.487 19.325 1.00 25.00 C ATOM 655 C LEU A 41 9.063 13.776 18.058 1.00 25.00 C ATOM 656 O LEU A 41 7.879 13.550 17.866 1.00 25.00 O ATOM 657 CB LEU A 41 9.776 15.966 19.033 1.00 25.00 C ATOM 658 CG LEU A 41 9.322 16.997 20.083 1.00 25.00 C ATOM 659 CD1 LEU A 41 9.530 16.522 21.525 1.00 25.00 C ATOM 660 CD2 LEU A 41 10.087 18.302 19.866 1.00 25.00 C ATOM 0 H LEU A 41 11.522 14.462 19.855 1.00 25.00 H new ATOM 0 HA LEU A 41 8.701 14.409 20.059 1.00 25.00 H new ATOM 0 HB2 LEU A 41 10.849 16.087 18.886 1.00 25.00 H new ATOM 0 HB3 LEU A 41 9.294 16.216 18.088 1.00 25.00 H new ATOM 0 HG LEU A 41 8.250 17.141 19.948 1.00 25.00 H new ATOM 0 HD11 LEU A 41 9.190 17.294 22.215 1.00 25.00 H new ATOM 0 HD12 LEU A 41 8.960 15.609 21.693 1.00 25.00 H new ATOM 0 HD13 LEU A 41 10.589 16.325 21.694 1.00 25.00 H new ATOM 0 HD21 LEU A 41 9.770 19.037 20.606 1.00 25.00 H new ATOM 0 HD22 LEU A 41 11.156 18.119 19.971 1.00 25.00 H new ATOM 0 HD23 LEU A 41 9.881 18.683 18.866 1.00 25.00 H new ATOM 672 N GLN A 42 10.009 13.400 17.216 1.00 25.00 N ATOM 673 CA GLN A 42 9.681 12.717 15.964 1.00 25.00 C ATOM 674 C GLN A 42 9.072 11.346 16.215 1.00 25.00 C ATOM 675 O GLN A 42 8.100 10.959 15.560 1.00 25.00 O ATOM 676 CB GLN A 42 10.938 12.563 15.096 1.00 25.00 C ATOM 677 CG GLN A 42 11.450 13.876 14.519 1.00 25.00 C ATOM 678 CD GLN A 42 12.762 13.708 13.771 1.00 25.00 C ATOM 679 OE1 GLN A 42 13.517 12.786 14.018 1.00 25.00 O ATOM 680 NE2 GLN A 42 13.040 14.608 12.863 1.00 25.00 N ATOM 0 H GLN A 42 11.006 13.552 17.369 1.00 25.00 H new ATOM 0 HA GLN A 42 8.945 13.330 15.443 1.00 25.00 H new ATOM 0 HB2 GLN A 42 11.727 12.107 15.694 1.00 25.00 H new ATOM 0 HB3 GLN A 42 10.721 11.877 14.277 1.00 25.00 H new ATOM 0 HG2 GLN A 42 10.701 14.290 13.844 1.00 25.00 H new ATOM 0 HG3 GLN A 42 11.585 14.596 15.326 1.00 25.00 H new ATOM 0 HE21 GLN A 42 12.385 15.368 12.681 1.00 25.00 H new ATOM 0 HE22 GLN A 42 13.912 14.549 12.337 1.00 25.00 H new ATOM 689 N GLU A 43 9.629 10.601 17.158 1.00 25.00 N ATOM 690 CA GLU A 43 9.116 9.267 17.446 1.00 25.00 C ATOM 691 C GLU A 43 7.711 9.364 18.044 1.00 25.00 C ATOM 692 O GLU A 43 6.776 8.696 17.592 1.00 25.00 O ATOM 693 CB GLU A 43 10.055 8.541 18.410 1.00 25.00 C ATOM 694 CG GLU A 43 9.486 7.251 18.912 1.00 25.00 C ATOM 695 CD GLU A 43 10.554 6.279 19.348 1.00 25.00 C ATOM 696 OE1 GLU A 43 11.276 5.741 18.473 1.00 25.00 O ATOM 697 OE2 GLU A 43 10.630 5.986 20.554 1.00 25.00 O ATOM 0 H GLU A 43 10.423 10.889 17.729 1.00 25.00 H new ATOM 0 HA GLU A 43 9.062 8.699 16.517 1.00 25.00 H new ATOM 0 HB2 GLU A 43 11.002 8.344 17.908 1.00 25.00 H new ATOM 0 HB3 GLU A 43 10.272 9.191 19.257 1.00 25.00 H new ATOM 0 HG2 GLU A 43 8.820 7.454 19.750 1.00 25.00 H new ATOM 0 HG3 GLU A 43 8.882 6.794 18.128 1.00 25.00 H new ATOM 704 N GLN A 44 7.541 10.221 19.041 1.00 25.00 N ATOM 705 CA GLN A 44 6.234 10.399 19.670 1.00 25.00 C ATOM 706 C GLN A 44 5.204 10.918 18.676 1.00 25.00 C ATOM 707 O GLN A 44 4.056 10.491 18.682 1.00 25.00 O ATOM 708 CB GLN A 44 6.351 11.367 20.844 1.00 25.00 C ATOM 709 CG GLN A 44 7.100 10.771 22.027 1.00 25.00 C ATOM 710 CD GLN A 44 7.230 11.749 23.171 1.00 25.00 C ATOM 711 OE1 GLN A 44 6.280 11.992 23.900 1.00 25.00 O ATOM 712 NE2 GLN A 44 8.391 12.319 23.326 1.00 25.00 N ATOM 0 H GLN A 44 8.284 10.801 19.431 1.00 25.00 H new ATOM 0 HA GLN A 44 5.898 9.426 20.028 1.00 25.00 H new ATOM 0 HB2 GLN A 44 6.863 12.271 20.514 1.00 25.00 H new ATOM 0 HB3 GLN A 44 5.353 11.665 21.164 1.00 25.00 H new ATOM 0 HG2 GLN A 44 6.579 9.878 22.372 1.00 25.00 H new ATOM 0 HG3 GLN A 44 8.093 10.457 21.705 1.00 25.00 H new ATOM 0 HE21 GLN A 44 9.160 12.089 22.696 1.00 25.00 H new ATOM 0 HE22 GLN A 44 8.531 12.995 24.077 1.00 25.00 H new ATOM 721 N HIS A 45 5.640 11.796 17.779 1.00 25.00 N ATOM 722 CA HIS A 45 4.748 12.310 16.727 1.00 25.00 C ATOM 723 C HIS A 45 4.255 11.182 15.849 1.00 25.00 C ATOM 724 O HIS A 45 3.084 11.127 15.533 1.00 25.00 O ATOM 725 CB HIS A 45 5.476 13.340 15.866 1.00 25.00 C ATOM 726 CG HIS A 45 4.631 13.938 14.784 1.00 25.00 C ATOM 727 ND1 HIS A 45 5.156 14.551 13.642 1.00 25.00 N ATOM 728 CD2 HIS A 45 3.283 14.032 14.635 1.00 25.00 C ATOM 729 CE1 HIS A 45 4.150 14.970 12.888 1.00 25.00 C ATOM 730 NE2 HIS A 45 3.025 14.682 13.471 1.00 25.00 N ATOM 0 H HIS A 45 6.590 12.167 17.752 1.00 25.00 H new ATOM 0 HA HIS A 45 3.895 12.784 17.212 1.00 25.00 H new ATOM 0 HB2 HIS A 45 5.844 14.140 16.508 1.00 25.00 H new ATOM 0 HB3 HIS A 45 6.348 12.868 15.413 1.00 25.00 H new ATOM 0 HD2 HIS A 45 2.543 13.654 15.325 1.00 25.00 H new ATOM 0 HE1 HIS A 45 4.250 15.472 11.937 1.00 25.00 H new ATOM 0 HE2 HIS A 45 2.097 14.908 13.112 1.00 25.00 H new ATOM 738 N TYR A 46 5.141 10.275 15.475 1.00 25.00 N ATOM 739 CA TYR A 46 4.739 9.127 14.657 1.00 25.00 C ATOM 740 C TYR A 46 3.737 8.263 15.380 1.00 25.00 C ATOM 741 O TYR A 46 2.734 7.865 14.788 1.00 25.00 O ATOM 742 CB TYR A 46 5.959 8.274 14.276 1.00 25.00 C ATOM 743 CG TYR A 46 5.563 6.989 13.588 1.00 25.00 C ATOM 744 CD1 TYR A 46 5.287 6.965 12.208 1.00 25.00 C ATOM 745 CD2 TYR A 46 5.443 5.783 14.316 1.00 25.00 C ATOM 746 CE1 TYR A 46 4.888 5.769 11.570 1.00 25.00 C ATOM 747 CE2 TYR A 46 5.061 4.582 13.673 1.00 25.00 C ATOM 748 CZ TYR A 46 4.787 4.580 12.303 1.00 25.00 C ATOM 749 OH TYR A 46 4.420 3.421 11.663 1.00 25.00 O ATOM 0 H TYR A 46 6.132 10.303 15.717 1.00 25.00 H new ATOM 0 HA TYR A 46 4.277 9.522 13.752 1.00 25.00 H new ATOM 0 HB2 TYR A 46 6.612 8.849 13.620 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.533 8.042 15.173 1.00 25.00 H new ATOM 0 HD1 TYR A 46 5.381 7.872 11.629 1.00 25.00 H new ATOM 0 HD2 TYR A 46 5.646 5.778 15.377 1.00 25.00 H new ATOM 0 HE1 TYR A 46 4.660 5.772 10.514 1.00 25.00 H new ATOM 0 HE2 TYR A 46 4.981 3.667 14.241 1.00 25.00 H new ATOM 0 HH TYR A 46 3.456 3.436 11.486 1.00 25.00 H new ATOM 759 N GLN A 47 3.976 7.975 16.649 1.00 25.00 N ATOM 760 CA GLN A 47 3.050 7.126 17.400 1.00 25.00 C ATOM 761 C GLN A 47 1.663 7.752 17.454 1.00 25.00 C ATOM 762 O GLN A 47 0.673 7.116 17.086 1.00 25.00 O ATOM 763 CB GLN A 47 3.562 6.875 18.817 1.00 25.00 C ATOM 764 CG GLN A 47 4.865 6.089 18.859 1.00 25.00 C ATOM 765 CD GLN A 47 5.293 5.753 20.261 1.00 25.00 C ATOM 766 OE1 GLN A 47 4.647 4.968 20.938 1.00 25.00 O ATOM 767 NE2 GLN A 47 6.386 6.317 20.693 1.00 25.00 N ATOM 0 H GLN A 47 4.784 8.306 17.177 1.00 25.00 H new ATOM 0 HA GLN A 47 2.984 6.170 16.880 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.708 7.832 19.318 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.801 6.334 19.380 1.00 25.00 H new ATOM 0 HG2 GLN A 47 4.748 5.168 18.288 1.00 25.00 H new ATOM 0 HG3 GLN A 47 5.650 6.668 18.372 1.00 25.00 H new ATOM 0 HE21 GLN A 47 6.895 6.967 20.094 1.00 25.00 H new ATOM 0 HE22 GLN A 47 6.732 6.108 21.630 1.00 25.00 H new ATOM 776 N GLN A 48 1.590 9.017 17.856 1.00 25.00 N ATOM 777 CA GLN A 48 0.323 9.717 17.967 1.00 25.00 C ATOM 778 C GLN A 48 -0.349 9.857 16.594 1.00 25.00 C ATOM 779 O GLN A 48 -1.540 9.618 16.472 1.00 25.00 O ATOM 780 CB GLN A 48 0.542 11.091 18.616 1.00 25.00 C ATOM 781 CG GLN A 48 -0.747 11.885 18.878 1.00 25.00 C ATOM 782 CD GLN A 48 -1.722 11.185 19.819 1.00 25.00 C ATOM 783 OE1 GLN A 48 -1.329 10.605 20.815 1.00 25.00 O ATOM 784 NE2 GLN A 48 -2.990 11.264 19.512 1.00 25.00 N ATOM 0 H GLN A 48 2.402 9.578 18.111 1.00 25.00 H new ATOM 0 HA GLN A 48 -0.345 9.134 18.601 1.00 25.00 H new ATOM 0 HB2 GLN A 48 1.067 10.953 19.561 1.00 25.00 H new ATOM 0 HB3 GLN A 48 1.194 11.683 17.973 1.00 25.00 H new ATOM 0 HG2 GLN A 48 -0.485 12.856 19.298 1.00 25.00 H new ATOM 0 HG3 GLN A 48 -1.246 12.073 17.927 1.00 25.00 H new ATOM 0 HE21 GLN A 48 -3.281 11.759 18.669 1.00 25.00 H new ATOM 0 HE22 GLN A 48 -3.689 10.831 20.116 1.00 25.00 H new ATOM 793 N TYR A 49 0.411 10.183 15.555 1.00 25.00 N ATOM 794 CA TYR A 49 -0.168 10.317 14.212 1.00 25.00 C ATOM 795 C TYR A 49 -0.743 8.996 13.754 1.00 25.00 C ATOM 796 O TYR A 49 -1.844 8.965 13.249 1.00 25.00 O ATOM 797 CB TYR A 49 0.868 10.798 13.184 1.00 25.00 C ATOM 798 CG TYR A 49 0.471 10.499 11.739 1.00 25.00 C ATOM 799 CD1 TYR A 49 -0.528 11.257 11.064 1.00 25.00 C ATOM 800 CD2 TYR A 49 1.074 9.439 11.040 1.00 25.00 C ATOM 801 CE1 TYR A 49 -0.886 10.956 9.728 1.00 25.00 C ATOM 802 CE2 TYR A 49 0.692 9.131 9.709 1.00 25.00 C ATOM 803 CZ TYR A 49 -0.285 9.895 9.071 1.00 25.00 C ATOM 804 OH TYR A 49 -0.685 9.601 7.789 1.00 25.00 O ATOM 0 H TYR A 49 1.414 10.358 15.608 1.00 25.00 H new ATOM 0 HA TYR A 49 -0.958 11.065 14.278 1.00 25.00 H new ATOM 0 HB2 TYR A 49 1.012 11.872 13.299 1.00 25.00 H new ATOM 0 HB3 TYR A 49 1.826 10.324 13.396 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -1.018 12.071 11.577 1.00 25.00 H new ATOM 0 HD2 TYR A 49 1.840 8.850 11.523 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -1.628 11.554 9.221 1.00 25.00 H new ATOM 0 HE2 TYR A 49 1.157 8.306 9.190 1.00 25.00 H new ATOM 0 HH TYR A 49 -0.176 8.833 7.455 1.00 25.00 H new ATOM 814 N MET A 50 -0.026 7.899 13.941 1.00 25.00 N ATOM 815 CA MET A 50 -0.508 6.609 13.474 1.00 25.00 C ATOM 816 C MET A 50 -1.749 6.183 14.246 1.00 25.00 C ATOM 817 O MET A 50 -2.711 5.712 13.654 1.00 25.00 O ATOM 818 CB MET A 50 0.587 5.539 13.597 1.00 25.00 C ATOM 819 CG MET A 50 0.260 4.267 12.830 1.00 25.00 C ATOM 820 SD MET A 50 1.301 4.031 11.362 1.00 25.00 S ATOM 821 CE MET A 50 0.866 5.442 10.315 1.00 25.00 C ATOM 0 H MET A 50 0.881 7.875 14.407 1.00 25.00 H new ATOM 0 HA MET A 50 -0.773 6.712 12.422 1.00 25.00 H new ATOM 0 HB2 MET A 50 1.529 5.947 13.230 1.00 25.00 H new ATOM 0 HB3 MET A 50 0.733 5.295 14.649 1.00 25.00 H new ATOM 0 HG2 MET A 50 0.378 3.410 13.493 1.00 25.00 H new ATOM 0 HG3 MET A 50 -0.786 4.293 12.525 1.00 25.00 H new ATOM 0 HE1 MET A 50 1.082 5.203 9.274 1.00 25.00 H new ATOM 0 HE2 MET A 50 -0.196 5.663 10.424 1.00 25.00 H new ATOM 0 HE3 MET A 50 1.450 6.312 10.616 1.00 25.00 H new ATOM 831 N GLN A 51 -1.751 6.386 15.560 1.00 25.00 N ATOM 832 CA GLN A 51 -2.914 6.014 16.375 1.00 25.00 C ATOM 833 C GLN A 51 -4.124 6.859 16.001 1.00 25.00 C ATOM 834 O GLN A 51 -5.249 6.357 15.944 1.00 25.00 O ATOM 835 CB GLN A 51 -2.604 6.194 17.866 1.00 25.00 C ATOM 836 CG GLN A 51 -1.673 5.125 18.427 1.00 25.00 C ATOM 837 CD GLN A 51 -1.372 5.331 19.889 1.00 25.00 C ATOM 838 OE1 GLN A 51 -0.775 6.323 20.264 1.00 25.00 O ATOM 839 NE2 GLN A 51 -1.785 4.412 20.711 1.00 25.00 N ATOM 0 H GLN A 51 -0.977 6.799 16.081 1.00 25.00 H new ATOM 0 HA GLN A 51 -3.140 4.966 16.181 1.00 25.00 H new ATOM 0 HB2 GLN A 51 -2.153 7.174 18.019 1.00 25.00 H new ATOM 0 HB3 GLN A 51 -3.538 6.182 18.427 1.00 25.00 H new ATOM 0 HG2 GLN A 51 -2.126 4.144 18.288 1.00 25.00 H new ATOM 0 HG3 GLN A 51 -0.740 5.128 17.863 1.00 25.00 H new ATOM 0 HE21 GLN A 51 -2.282 3.595 20.355 1.00 25.00 H new ATOM 0 HE22 GLN A 51 -1.612 4.508 21.712 1.00 25.00 H new ATOM 848 N GLN A 52 -3.910 8.141 15.758 1.00 25.00 N ATOM 849 CA GLN A 52 -5.004 9.038 15.412 1.00 25.00 C ATOM 850 C GLN A 52 -5.485 8.762 13.982 1.00 25.00 C ATOM 851 O GLN A 52 -6.679 8.684 13.744 1.00 25.00 O ATOM 852 CB GLN A 52 -4.535 10.485 15.562 1.00 25.00 C ATOM 853 CG GLN A 52 -5.661 11.496 15.527 1.00 25.00 C ATOM 854 CD GLN A 52 -5.151 12.919 15.617 1.00 25.00 C ATOM 855 OE1 GLN A 52 -4.084 13.196 16.159 1.00 25.00 O ATOM 856 NE2 GLN A 52 -5.918 13.831 15.082 1.00 25.00 N ATOM 0 H GLN A 52 -2.992 8.585 15.793 1.00 25.00 H new ATOM 0 HA GLN A 52 -5.844 8.868 16.085 1.00 25.00 H new ATOM 0 HB2 GLN A 52 -3.996 10.587 16.504 1.00 25.00 H new ATOM 0 HB3 GLN A 52 -3.829 10.713 14.764 1.00 25.00 H new ATOM 0 HG2 GLN A 52 -6.230 11.373 14.605 1.00 25.00 H new ATOM 0 HG3 GLN A 52 -6.346 11.304 16.353 1.00 25.00 H new ATOM 0 HE21 GLN A 52 -6.797 13.563 14.640 1.00 25.00 H new ATOM 0 HE22 GLN A 52 -5.637 14.811 15.106 1.00 25.00 H new ATOM 865 N LEU A 53 -4.553 8.541 13.054 1.00 25.00 N ATOM 866 CA LEU A 53 -4.872 8.221 11.664 1.00 25.00 C ATOM 867 C LEU A 53 -5.704 6.960 11.598 1.00 25.00 C ATOM 868 O LEU A 53 -6.651 6.868 10.821 1.00 25.00 O ATOM 869 CB LEU A 53 -3.582 8.001 10.859 1.00 25.00 C ATOM 870 CG LEU A 53 -3.791 7.556 9.388 1.00 25.00 C ATOM 871 CD1 LEU A 53 -4.242 8.722 8.518 1.00 25.00 C ATOM 872 CD2 LEU A 53 -2.519 6.940 8.845 1.00 25.00 C ATOM 0 H LEU A 53 -3.552 8.579 13.247 1.00 25.00 H new ATOM 0 HA LEU A 53 -5.431 9.056 11.242 1.00 25.00 H new ATOM 0 HB2 LEU A 53 -3.007 8.927 10.864 1.00 25.00 H new ATOM 0 HB3 LEU A 53 -2.979 7.249 11.367 1.00 25.00 H new ATOM 0 HG LEU A 53 -4.581 6.805 9.366 1.00 25.00 H new ATOM 0 HD11 LEU A 53 -4.380 8.379 7.493 1.00 25.00 H new ATOM 0 HD12 LEU A 53 -5.184 9.117 8.899 1.00 25.00 H new ATOM 0 HD13 LEU A 53 -3.485 9.506 8.539 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -2.677 6.631 7.812 1.00 25.00 H new ATOM 0 HD22 LEU A 53 -1.714 7.673 8.886 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -2.250 6.072 9.446 1.00 25.00 H new ATOM 884 N TYR A 54 -5.354 5.993 12.429 1.00 25.00 N ATOM 885 CA TYR A 54 -6.047 4.709 12.452 1.00 25.00 C ATOM 886 C TYR A 54 -7.511 4.954 12.744 1.00 25.00 C ATOM 887 O TYR A 54 -8.369 4.348 12.124 1.00 25.00 O ATOM 888 CB TYR A 54 -5.459 3.779 13.517 1.00 25.00 C ATOM 889 CG TYR A 54 -5.946 2.354 13.400 1.00 25.00 C ATOM 890 CD1 TYR A 54 -7.188 1.952 13.944 1.00 25.00 C ATOM 891 CD2 TYR A 54 -5.161 1.381 12.744 1.00 25.00 C ATOM 892 CE1 TYR A 54 -7.643 0.610 13.819 1.00 25.00 C ATOM 893 CE2 TYR A 54 -5.610 0.036 12.629 1.00 25.00 C ATOM 894 CZ TYR A 54 -6.845 -0.331 13.170 1.00 25.00 C ATOM 895 OH TYR A 54 -7.275 -1.622 13.057 1.00 25.00 O ATOM 0 H TYR A 54 -4.591 6.070 13.101 1.00 25.00 H new ATOM 0 HA TYR A 54 -5.926 4.226 11.482 1.00 25.00 H new ATOM 0 HB2 TYR A 54 -4.372 3.792 13.440 1.00 25.00 H new ATOM 0 HB3 TYR A 54 -5.713 4.163 14.505 1.00 25.00 H new ATOM 0 HD1 TYR A 54 -7.800 2.675 14.462 1.00 25.00 H new ATOM 0 HD2 TYR A 54 -4.207 1.662 12.324 1.00 25.00 H new ATOM 0 HE1 TYR A 54 -8.601 0.322 14.225 1.00 25.00 H new ATOM 0 HE2 TYR A 54 -4.999 -0.698 12.126 1.00 25.00 H new ATOM 0 HH TYR A 54 -6.603 -2.150 12.577 1.00 25.00 H new ATOM 1884 N ILE B 155 1.907 12.387 3.702 1.00 25.00 N ATOM 1885 CA ILE B 155 0.819 11.968 4.594 1.00 25.00 C ATOM 1886 C ILE B 155 -0.291 13.015 4.700 1.00 25.00 C ATOM 1887 O ILE B 155 -0.082 14.163 4.325 1.00 25.00 O ATOM 1888 CB ILE B 155 1.322 11.686 6.057 1.00 25.00 C ATOM 1889 CG1 ILE B 155 1.594 12.995 6.870 1.00 25.00 C ATOM 1890 CG2 ILE B 155 2.531 10.721 6.052 1.00 25.00 C ATOM 1891 CD1 ILE B 155 2.707 13.929 6.411 1.00 25.00 C ATOM 0 HA ILE B 155 0.432 11.055 4.141 1.00 25.00 H new ATOM 0 HB ILE B 155 0.511 11.185 6.586 1.00 25.00 H new ATOM 0 HG12 ILE B 155 0.668 13.570 6.888 1.00 25.00 H new ATOM 0 HG13 ILE B 155 1.810 12.705 7.898 1.00 25.00 H new ATOM 0 HG21 ILE B 155 2.859 10.543 7.076 1.00 25.00 H new ATOM 0 HG22 ILE B 155 2.240 9.775 5.595 1.00 25.00 H new ATOM 0 HG23 ILE B 155 3.348 11.164 5.482 1.00 25.00 H new ATOM 0 HD11 ILE B 155 2.763 14.786 7.082 1.00 25.00 H new ATOM 0 HD12 ILE B 155 3.658 13.396 6.424 1.00 25.00 H new ATOM 0 HD13 ILE B 155 2.498 14.274 5.398 1.00 25.00 H new ATOM 1903 N ASP B 156 -1.415 12.627 5.287 1.00 25.00 N ATOM 1904 CA ASP B 156 -2.507 13.566 5.582 1.00 25.00 C ATOM 1905 C ASP B 156 -2.006 14.583 6.592 1.00 25.00 C ATOM 1906 O ASP B 156 -1.713 14.236 7.749 1.00 25.00 O ATOM 1907 CB ASP B 156 -3.709 12.836 6.185 1.00 25.00 C ATOM 1908 CG ASP B 156 -4.462 11.995 5.172 1.00 25.00 C ATOM 1909 OD1 ASP B 156 -4.663 12.478 4.044 1.00 25.00 O ATOM 1910 OD2 ASP B 156 -4.815 10.844 5.495 1.00 25.00 O ATOM 0 H ASP B 156 -1.602 11.666 5.572 1.00 25.00 H new ATOM 0 HA ASP B 156 -2.817 14.048 4.655 1.00 25.00 H new ATOM 0 HB2 ASP B 156 -3.367 12.196 6.998 1.00 25.00 H new ATOM 0 HB3 ASP B 156 -4.390 13.567 6.620 1.00 25.00 H new ATOM 1915 N PRO B 157 -1.870 15.858 6.189 1.00 25.00 N ATOM 1916 CA PRO B 157 -1.257 16.759 7.167 1.00 25.00 C ATOM 1917 C PRO B 157 -2.200 17.174 8.293 1.00 25.00 C ATOM 1918 O PRO B 157 -1.757 17.661 9.325 1.00 25.00 O ATOM 1919 CB PRO B 157 -0.853 17.951 6.304 1.00 25.00 C ATOM 1920 CG PRO B 157 -1.908 18.000 5.244 1.00 25.00 C ATOM 1921 CD PRO B 157 -2.164 16.549 4.915 1.00 25.00 C ATOM 0 HA PRO B 157 -0.429 16.290 7.699 1.00 25.00 H new ATOM 0 HB2 PRO B 157 -0.826 18.873 6.884 1.00 25.00 H new ATOM 0 HB3 PRO B 157 0.139 17.815 5.874 1.00 25.00 H new ATOM 0 HG2 PRO B 157 -2.811 18.493 5.603 1.00 25.00 H new ATOM 0 HG3 PRO B 157 -1.569 18.554 4.369 1.00 25.00 H new ATOM 0 HD2 PRO B 157 -3.193 16.384 4.595 1.00 25.00 H new ATOM 0 HD3 PRO B 157 -1.519 16.199 4.109 1.00 25.00 H new ATOM 1929 N GLU B 158 -3.491 16.983 8.093 1.00 25.00 N ATOM 1930 CA GLU B 158 -4.493 17.407 9.066 1.00 25.00 C ATOM 1931 C GLU B 158 -4.346 16.672 10.396 1.00 25.00 C ATOM 1932 O GLU B 158 -4.249 17.282 11.465 1.00 25.00 O ATOM 1933 CB GLU B 158 -5.890 17.146 8.510 1.00 25.00 C ATOM 1934 CG GLU B 158 -6.141 17.813 7.185 1.00 25.00 C ATOM 1935 CD GLU B 158 -7.524 17.496 6.659 1.00 25.00 C ATOM 1936 OE1 GLU B 158 -7.725 16.377 6.156 1.00 25.00 O ATOM 1937 OE2 GLU B 158 -8.424 18.353 6.812 1.00 25.00 O ATOM 0 H GLU B 158 -3.877 16.535 7.262 1.00 25.00 H new ATOM 0 HA GLU B 158 -4.343 18.471 9.246 1.00 25.00 H new ATOM 0 HB2 GLU B 158 -6.034 16.071 8.400 1.00 25.00 H new ATOM 0 HB3 GLU B 158 -6.630 17.495 9.230 1.00 25.00 H new ATOM 0 HG2 GLU B 158 -6.030 18.892 7.293 1.00 25.00 H new ATOM 0 HG3 GLU B 158 -5.392 17.486 6.464 1.00 25.00 H new ATOM 1944 N VAL B 159 -4.311 15.355 10.319 1.00 25.00 N ATOM 1945 CA VAL B 159 -4.162 14.519 11.505 1.00 25.00 C ATOM 1946 C VAL B 159 -2.748 14.688 12.035 1.00 25.00 C ATOM 1947 O VAL B 159 -2.514 14.721 13.242 1.00 25.00 O ATOM 1948 CB VAL B 159 -4.482 13.008 11.163 1.00 25.00 C ATOM 1949 CG1 VAL B 159 -3.970 12.621 9.792 1.00 25.00 C ATOM 1950 CG2 VAL B 159 -3.970 12.078 12.233 1.00 25.00 C ATOM 0 H VAL B 159 -4.384 14.835 9.445 1.00 25.00 H new ATOM 0 HA VAL B 159 -4.870 14.825 12.275 1.00 25.00 H new ATOM 0 HB VAL B 159 -5.567 12.906 11.138 1.00 25.00 H new ATOM 0 HG11 VAL B 159 -4.210 11.576 9.596 1.00 25.00 H new ATOM 0 HG12 VAL B 159 -4.442 13.250 9.037 1.00 25.00 H new ATOM 0 HG13 VAL B 159 -2.889 12.758 9.755 1.00 25.00 H new ATOM 0 HG21 VAL B 159 -4.208 11.049 11.965 1.00 25.00 H new ATOM 0 HG22 VAL B 159 -2.890 12.189 12.325 1.00 25.00 H new ATOM 0 HG23 VAL B 159 -4.442 12.323 13.184 1.00 25.00 H new ATOM 1960 N ALA B 160 -1.797 14.832 11.123 1.00 25.00 N ATOM 1961 CA ALA B 160 -0.405 14.900 11.519 1.00 25.00 C ATOM 1962 C ALA B 160 -0.104 16.178 12.323 1.00 25.00 C ATOM 1963 O ALA B 160 0.650 16.135 13.292 1.00 25.00 O ATOM 1964 CB ALA B 160 0.465 14.802 10.288 1.00 25.00 C ATOM 0 H ALA B 160 -1.963 14.903 10.119 1.00 25.00 H new ATOM 0 HA ALA B 160 -0.184 14.062 12.180 1.00 25.00 H new ATOM 0 HB1 ALA B 160 1.514 14.853 10.579 1.00 25.00 H new ATOM 0 HB2 ALA B 160 0.274 13.856 9.782 1.00 25.00 H new ATOM 0 HB3 ALA B 160 0.235 15.627 9.614 1.00 25.00 H new ATOM 1970 N GLN B 161 -0.714 17.291 11.944 1.00 25.00 N ATOM 1971 CA GLN B 161 -0.545 18.550 12.663 1.00 25.00 C ATOM 1972 C GLN B 161 -1.128 18.466 14.068 1.00 25.00 C ATOM 1973 O GLN B 161 -0.535 18.963 15.025 1.00 25.00 O ATOM 1974 CB GLN B 161 -1.223 19.691 11.900 1.00 25.00 C ATOM 1975 CG GLN B 161 -1.012 21.072 12.527 1.00 25.00 C ATOM 1976 CD GLN B 161 0.457 21.438 12.636 1.00 25.00 C ATOM 1977 OE1 GLN B 161 1.235 21.214 11.723 1.00 25.00 O ATOM 1978 NE2 GLN B 161 0.848 21.966 13.766 1.00 25.00 N ATOM 0 H GLN B 161 -1.335 17.350 11.137 1.00 25.00 H new ATOM 0 HA GLN B 161 0.524 18.746 12.741 1.00 25.00 H new ATOM 0 HB2 GLN B 161 -0.845 19.706 10.878 1.00 25.00 H new ATOM 0 HB3 GLN B 161 -2.293 19.490 11.841 1.00 25.00 H new ATOM 0 HG2 GLN B 161 -1.528 21.823 11.928 1.00 25.00 H new ATOM 0 HG3 GLN B 161 -1.463 21.091 13.519 1.00 25.00 H new ATOM 0 HE21 GLN B 161 0.171 22.140 14.509 1.00 25.00 H new ATOM 0 HE22 GLN B 161 1.830 22.204 13.905 1.00 25.00 H new ATOM 1987 N LYS B 162 -2.286 17.841 14.205 1.00 25.00 N ATOM 1988 CA LYS B 162 -2.895 17.717 15.531 1.00 25.00 C ATOM 1989 C LYS B 162 -1.968 16.896 16.414 1.00 25.00 C ATOM 1990 O LYS B 162 -1.741 17.218 17.570 1.00 25.00 O ATOM 1991 CB LYS B 162 -4.265 17.026 15.436 1.00 25.00 C ATOM 1992 CG LYS B 162 -5.353 17.831 14.715 1.00 25.00 C ATOM 1993 CD LYS B 162 -5.837 19.021 15.543 1.00 25.00 C ATOM 1994 CE LYS B 162 -6.998 19.738 14.845 1.00 25.00 C ATOM 1995 NZ LYS B 162 -7.491 20.901 15.672 1.00 25.00 N ATOM 0 H LYS B 162 -2.816 17.420 13.442 1.00 25.00 H new ATOM 0 HA LYS B 162 -3.042 18.710 15.955 1.00 25.00 H new ATOM 0 HB2 LYS B 162 -4.139 16.074 14.921 1.00 25.00 H new ATOM 0 HB3 LYS B 162 -4.611 16.800 16.445 1.00 25.00 H new ATOM 0 HG2 LYS B 162 -4.966 18.188 13.761 1.00 25.00 H new ATOM 0 HG3 LYS B 162 -6.197 17.179 14.492 1.00 25.00 H new ATOM 0 HD2 LYS B 162 -6.155 18.678 16.528 1.00 25.00 H new ATOM 0 HD3 LYS B 162 -5.014 19.719 15.699 1.00 25.00 H new ATOM 0 HE2 LYS B 162 -6.675 20.094 13.867 1.00 25.00 H new ATOM 0 HE3 LYS B 162 -7.814 19.036 14.675 1.00 25.00 H new ATOM 0 HZ1 LYS B 162 -8.277 21.370 15.178 1.00 25.00 H new ATOM 0 HZ2 LYS B 162 -7.820 20.555 16.596 1.00 25.00 H new ATOM 0 HZ3 LYS B 162 -6.716 21.580 15.813 1.00 25.00 H new ATOM 2009 N ALA B 163 -1.434 15.832 15.835 1.00 25.00 N ATOM 2010 CA ALA B 163 -0.597 14.903 16.573 1.00 25.00 C ATOM 2011 C ALA B 163 0.679 15.559 17.114 1.00 25.00 C ATOM 2012 O ALA B 163 1.061 15.319 18.249 1.00 25.00 O ATOM 2013 CB ALA B 163 -0.269 13.705 15.695 1.00 25.00 C ATOM 0 H ALA B 163 -1.567 15.591 14.853 1.00 25.00 H new ATOM 0 HA ALA B 163 -1.158 14.569 17.446 1.00 25.00 H new ATOM 0 HB1 ALA B 163 0.359 13.008 16.250 1.00 25.00 H new ATOM 0 HB2 ALA B 163 -1.192 13.206 15.401 1.00 25.00 H new ATOM 0 HB3 ALA B 163 0.261 14.041 14.804 1.00 25.00 H new ATOM 2019 N CYS B 164 1.349 16.381 16.327 1.00 25.00 N ATOM 2020 CA CYS B 164 2.583 16.998 16.801 1.00 25.00 C ATOM 2021 C CYS B 164 2.290 18.081 17.826 1.00 25.00 C ATOM 2022 O CYS B 164 3.084 18.300 18.739 1.00 25.00 O ATOM 2023 CB CYS B 164 3.411 17.570 15.650 1.00 25.00 C ATOM 2024 SG CYS B 164 2.622 18.901 14.729 1.00 25.00 S ATOM 0 H CYS B 164 1.072 16.635 15.379 1.00 25.00 H new ATOM 0 HA CYS B 164 3.171 16.213 17.278 1.00 25.00 H new ATOM 0 HB2 CYS B 164 4.356 17.937 16.050 1.00 25.00 H new ATOM 0 HB3 CYS B 164 3.650 16.762 14.958 1.00 25.00 H new ATOM 0 HG CYS B 164 1.334 18.835 14.889 1.00 25.00 H new ATOM 2030 N GLN B 165 1.162 18.767 17.683 1.00 25.00 N ATOM 2031 CA GLN B 165 0.796 19.843 18.607 1.00 25.00 C ATOM 2032 C GLN B 165 0.596 19.253 20.007 1.00 25.00 C ATOM 2033 O GLN B 165 1.049 19.830 20.989 1.00 25.00 O ATOM 2034 CB GLN B 165 -0.471 20.536 18.100 1.00 25.00 C ATOM 2035 CG GLN B 165 -0.720 21.932 18.674 1.00 25.00 C ATOM 2036 CD GLN B 165 -1.419 21.913 20.011 1.00 25.00 C ATOM 2037 OE1 GLN B 165 -2.319 21.133 20.240 1.00 25.00 O ATOM 2038 NE2 GLN B 165 -1.007 22.776 20.895 1.00 25.00 N ATOM 0 H GLN B 165 0.484 18.601 16.939 1.00 25.00 H new ATOM 0 HA GLN B 165 1.589 20.589 18.661 1.00 25.00 H new ATOM 0 HB2 GLN B 165 -0.416 20.611 17.014 1.00 25.00 H new ATOM 0 HB3 GLN B 165 -1.329 19.906 18.333 1.00 25.00 H new ATOM 0 HG2 GLN B 165 0.234 22.450 18.778 1.00 25.00 H new ATOM 0 HG3 GLN B 165 -1.319 22.506 17.967 1.00 25.00 H new ATOM 0 HE21 GLN B 165 -0.247 23.417 20.667 1.00 25.00 H new ATOM 0 HE22 GLN B 165 -1.444 22.811 21.816 1.00 25.00 H new ATOM 2047 N GLU B 166 0.016 18.063 20.099 1.00 25.00 N ATOM 2048 CA GLU B 166 -0.130 17.408 21.395 1.00 25.00 C ATOM 2049 C GLU B 166 1.221 17.040 22.002 1.00 25.00 C ATOM 2050 O GLU B 166 1.427 17.203 23.204 1.00 25.00 O ATOM 2051 CB GLU B 166 -0.945 16.128 21.265 1.00 25.00 C ATOM 2052 CG GLU B 166 -2.435 16.344 21.186 1.00 25.00 C ATOM 2053 CD GLU B 166 -3.192 15.063 21.475 1.00 25.00 C ATOM 2054 OE1 GLU B 166 -3.325 14.720 22.675 1.00 25.00 O ATOM 2055 OE2 GLU B 166 -3.583 14.355 20.523 1.00 25.00 O ATOM 0 H GLU B 166 -0.356 17.538 19.307 1.00 25.00 H new ATOM 0 HA GLU B 166 -0.638 18.122 22.044 1.00 25.00 H new ATOM 0 HB2 GLU B 166 -0.620 15.594 20.372 1.00 25.00 H new ATOM 0 HB3 GLU B 166 -0.728 15.485 22.118 1.00 25.00 H new ATOM 0 HG2 GLU B 166 -2.732 17.113 21.899 1.00 25.00 H new ATOM 0 HG3 GLU B 166 -2.700 16.710 20.194 1.00 25.00 H new ATOM 2062 N VAL B 167 2.137 16.537 21.182 1.00 25.00 N ATOM 2063 CA VAL B 167 3.459 16.140 21.673 1.00 25.00 C ATOM 2064 C VAL B 167 4.208 17.342 22.231 1.00 25.00 C ATOM 2065 O VAL B 167 4.824 17.274 23.287 1.00 25.00 O ATOM 2066 CB VAL B 167 4.290 15.458 20.539 1.00 25.00 C ATOM 2067 CG1 VAL B 167 5.726 15.176 20.982 1.00 25.00 C ATOM 2068 CG2 VAL B 167 3.623 14.131 20.126 1.00 25.00 C ATOM 0 H VAL B 167 1.994 16.394 20.182 1.00 25.00 H new ATOM 0 HA VAL B 167 3.318 15.417 22.477 1.00 25.00 H new ATOM 0 HB VAL B 167 4.319 16.146 19.694 1.00 25.00 H new ATOM 0 HG11 VAL B 167 6.272 14.702 20.166 1.00 25.00 H new ATOM 0 HG12 VAL B 167 6.215 16.113 21.249 1.00 25.00 H new ATOM 0 HG13 VAL B 167 5.716 14.512 21.847 1.00 25.00 H new ATOM 0 HG21 VAL B 167 4.207 13.661 19.335 1.00 25.00 H new ATOM 0 HG22 VAL B 167 3.575 13.464 20.987 1.00 25.00 H new ATOM 0 HG23 VAL B 167 2.614 14.328 19.763 1.00 25.00 H new ATOM 2078 N LEU B 168 4.112 18.466 21.537 1.00 25.00 N ATOM 2079 CA LEU B 168 4.770 19.694 21.969 1.00 25.00 C ATOM 2080 C LEU B 168 4.227 20.179 23.311 1.00 25.00 C ATOM 2081 O LEU B 168 4.990 20.580 24.175 1.00 25.00 O ATOM 2082 CB LEU B 168 4.609 20.779 20.891 1.00 25.00 C ATOM 2083 CG LEU B 168 5.487 20.569 19.651 1.00 25.00 C ATOM 2084 CD1 LEU B 168 4.992 21.446 18.478 1.00 25.00 C ATOM 2085 CD2 LEU B 168 6.956 20.868 19.950 1.00 25.00 C ATOM 0 H LEU B 168 3.583 18.555 20.669 1.00 25.00 H new ATOM 0 HA LEU B 168 5.831 19.483 22.106 1.00 25.00 H new ATOM 0 HB2 LEU B 168 3.565 20.815 20.581 1.00 25.00 H new ATOM 0 HB3 LEU B 168 4.845 21.749 21.329 1.00 25.00 H new ATOM 0 HG LEU B 168 5.407 19.520 19.365 1.00 25.00 H new ATOM 0 HD11 LEU B 168 5.628 21.283 17.608 1.00 25.00 H new ATOM 0 HD12 LEU B 168 3.964 21.178 18.232 1.00 25.00 H new ATOM 0 HD13 LEU B 168 5.034 22.496 18.766 1.00 25.00 H new ATOM 0 HD21 LEU B 168 7.550 20.709 19.050 1.00 25.00 H new ATOM 0 HD22 LEU B 168 7.058 21.904 20.274 1.00 25.00 H new ATOM 0 HD23 LEU B 168 7.309 20.205 20.740 1.00 25.00 H new ATOM 2097 N GLU B 169 2.916 20.129 23.514 1.00 25.00 N ATOM 2098 CA GLU B 169 2.367 20.577 24.793 1.00 25.00 C ATOM 2099 C GLU B 169 2.713 19.620 25.923 1.00 25.00 C ATOM 2100 O GLU B 169 3.048 20.029 27.025 1.00 25.00 O ATOM 2101 CB GLU B 169 0.860 20.774 24.693 1.00 25.00 C ATOM 2102 CG GLU B 169 0.476 21.888 23.728 1.00 25.00 C ATOM 2103 CD GLU B 169 1.102 23.221 24.088 1.00 25.00 C ATOM 2104 OE1 GLU B 169 0.788 23.786 25.145 1.00 25.00 O ATOM 2105 OE2 GLU B 169 1.913 23.723 23.278 1.00 25.00 O ATOM 0 H GLU B 169 2.231 19.795 22.836 1.00 25.00 H new ATOM 0 HA GLU B 169 2.827 21.537 25.028 1.00 25.00 H new ATOM 0 HB2 GLU B 169 0.397 19.842 24.369 1.00 25.00 H new ATOM 0 HB3 GLU B 169 0.461 21.001 25.682 1.00 25.00 H new ATOM 0 HG2 GLU B 169 0.781 21.609 22.719 1.00 25.00 H new ATOM 0 HG3 GLU B 169 -0.609 21.993 23.715 1.00 25.00 H new ATOM 2112 N LYS B 170 2.660 18.325 25.651 1.00 25.00 N ATOM 2113 CA LYS B 170 2.987 17.328 26.672 1.00 25.00 C ATOM 2114 C LYS B 170 4.447 17.440 27.118 1.00 25.00 C ATOM 2115 O LYS B 170 4.734 17.356 28.315 1.00 25.00 O ATOM 2116 CB LYS B 170 2.687 15.926 26.143 1.00 25.00 C ATOM 2117 CG LYS B 170 1.184 15.614 26.111 1.00 25.00 C ATOM 2118 CD LYS B 170 0.941 14.184 25.639 1.00 25.00 C ATOM 2119 CE LYS B 170 -0.554 13.846 25.584 1.00 25.00 C ATOM 2120 NZ LYS B 170 -1.232 14.623 24.507 1.00 25.00 N ATOM 0 H LYS B 170 2.397 17.938 24.745 1.00 25.00 H new ATOM 0 HA LYS B 170 2.366 17.518 27.547 1.00 25.00 H new ATOM 0 HB2 LYS B 170 3.096 15.826 25.138 1.00 25.00 H new ATOM 0 HB3 LYS B 170 3.193 15.190 26.768 1.00 25.00 H new ATOM 0 HG2 LYS B 170 0.758 15.752 27.105 1.00 25.00 H new ATOM 0 HG3 LYS B 170 0.676 16.313 25.446 1.00 25.00 H new ATOM 0 HD2 LYS B 170 1.380 14.048 24.651 1.00 25.00 H new ATOM 0 HD3 LYS B 170 1.446 13.489 26.310 1.00 25.00 H new ATOM 0 HE2 LYS B 170 -0.684 12.779 25.406 1.00 25.00 H new ATOM 0 HE3 LYS B 170 -1.017 14.067 26.545 1.00 25.00 H new ATOM 0 HZ1 LYS B 170 -2.011 15.177 24.917 1.00 25.00 H new ATOM 0 HZ2 LYS B 170 -0.548 15.266 24.059 1.00 25.00 H new ATOM 0 HZ3 LYS B 170 -1.611 13.969 23.793 1.00 25.00 H new ATOM 2134 N VAL B 171 5.360 17.647 26.187 1.00 25.00 N ATOM 2135 CA VAL B 171 6.773 17.787 26.556 1.00 25.00 C ATOM 2136 C VAL B 171 7.037 19.117 27.280 1.00 25.00 C ATOM 2137 O VAL B 171 7.837 19.175 28.202 1.00 25.00 O ATOM 2138 CB VAL B 171 7.735 17.588 25.320 1.00 25.00 C ATOM 2139 CG1 VAL B 171 7.669 18.759 24.356 1.00 25.00 C ATOM 2140 CG2 VAL B 171 9.171 17.360 25.780 1.00 25.00 C ATOM 0 H VAL B 171 5.164 17.722 25.189 1.00 25.00 H new ATOM 0 HA VAL B 171 7.000 16.985 27.258 1.00 25.00 H new ATOM 0 HB VAL B 171 7.392 16.701 24.787 1.00 25.00 H new ATOM 0 HG11 VAL B 171 8.346 18.581 23.521 1.00 25.00 H new ATOM 0 HG12 VAL B 171 6.651 18.865 23.982 1.00 25.00 H new ATOM 0 HG13 VAL B 171 7.963 19.673 24.873 1.00 25.00 H new ATOM 0 HG21 VAL B 171 9.815 17.226 24.911 1.00 25.00 H new ATOM 0 HG22 VAL B 171 9.511 18.223 26.353 1.00 25.00 H new ATOM 0 HG23 VAL B 171 9.215 16.469 26.406 1.00 25.00 H new ATOM 2150 N LYS B 172 6.317 20.173 26.922 1.00 25.00 N ATOM 2151 CA LYS B 172 6.483 21.457 27.622 1.00 25.00 C ATOM 2152 C LYS B 172 6.068 21.311 29.071 1.00 25.00 C ATOM 2153 O LYS B 172 6.653 21.925 29.939 1.00 25.00 O ATOM 2154 CB LYS B 172 5.608 22.535 26.994 1.00 25.00 C ATOM 2155 CG LYS B 172 6.133 23.133 25.694 1.00 25.00 C ATOM 2156 CD LYS B 172 5.039 23.957 25.049 1.00 25.00 C ATOM 2157 CE LYS B 172 5.384 24.379 23.633 1.00 25.00 C ATOM 2158 NZ LYS B 172 4.204 25.095 23.053 1.00 25.00 N ATOM 0 H LYS B 172 5.627 20.177 26.171 1.00 25.00 H new ATOM 0 HA LYS B 172 7.532 21.742 27.547 1.00 25.00 H new ATOM 0 HB2 LYS B 172 4.621 22.113 26.806 1.00 25.00 H new ATOM 0 HB3 LYS B 172 5.478 23.340 27.717 1.00 25.00 H new ATOM 0 HG2 LYS B 172 7.005 23.756 25.892 1.00 25.00 H new ATOM 0 HG3 LYS B 172 6.454 22.340 25.018 1.00 25.00 H new ATOM 0 HD2 LYS B 172 4.114 23.380 25.037 1.00 25.00 H new ATOM 0 HD3 LYS B 172 4.853 24.845 25.654 1.00 25.00 H new ATOM 0 HE2 LYS B 172 6.259 25.029 23.633 1.00 25.00 H new ATOM 0 HE3 LYS B 172 5.634 23.508 23.028 1.00 25.00 H new ATOM 0 HZ1 LYS B 172 4.484 25.567 22.169 1.00 25.00 H new ATOM 0 HZ2 LYS B 172 3.446 24.411 22.855 1.00 25.00 H new ATOM 0 HZ3 LYS B 172 3.861 25.805 23.731 1.00 25.00 H new