USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 462 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 -6 LYS NZ :NH3+ -172:sc= 0 (180deg=0) USER MOD Set 1.2: A -9 LYS NZ :NH3+ -133:sc= -0.515 (180deg=-3.05!) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.101 K(o=-0.1,f=-4.5!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -3 HIS : no HD1:sc= -0.513 X(o=-0.51,f=-0.018) USER MOD Single : A -5 GLN :FLIP amide:sc= -0.502 F(o=-1.2,f=-0.5) USER MOD Single : A -7 MET CE :methyl -162:sc= -1.13 (180deg=-1.27) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 36:sc= 0.0724 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc=-0.00586 X(o=-0.0059,f=-0.15) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 69:sc= 0.0277 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 104:sc= -2.51! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 37:sc= 0.326 USER MOD Single : A -11 ASN : amide:sc= 0 X(o=0,f=0.0046) USER MOD Single : A -14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -16 SER OG : rot 180:sc= 0 USER MOD Single : A -17 ASN : amide:sc= -0.0415 K(o=-0.042,f=-0.78) USER MOD Single : A -18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -18 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 34.376 25.560 11.171 1.00 0.00 N ATOM 2 CA MET A -18 34.474 24.522 12.233 1.00 0.00 C ATOM 3 C MET A -18 33.090 24.079 12.704 1.00 0.00 C ATOM 4 O MET A -18 32.792 24.103 13.898 1.00 0.00 O ATOM 5 CB MET A -18 35.275 25.102 13.401 1.00 0.00 C ATOM 6 CG MET A -18 36.322 24.149 13.956 1.00 0.00 C ATOM 7 SD MET A -18 37.781 25.006 14.577 1.00 0.00 S ATOM 8 CE MET A -18 38.592 23.686 15.477 1.00 0.00 C ATOM 0 H1 MET A -18 35.331 25.841 10.871 1.00 0.00 H new ATOM 0 H2 MET A -18 33.857 25.175 10.356 1.00 0.00 H new ATOM 0 H3 MET A -18 33.871 26.390 11.542 1.00 0.00 H new ATOM 0 HA MET A -18 34.976 23.641 11.832 1.00 0.00 H new ATOM 0 HB2 MET A -18 35.767 26.018 13.074 1.00 0.00 H new ATOM 0 HB3 MET A -18 34.587 25.378 14.200 1.00 0.00 H new ATOM 0 HG2 MET A -18 35.882 23.560 14.760 1.00 0.00 H new ATOM 0 HG3 MET A -18 36.621 23.449 13.176 1.00 0.00 H new ATOM 0 HE1 MET A -18 39.514 24.061 15.921 1.00 0.00 H new ATOM 0 HE2 MET A -18 37.932 23.323 16.265 1.00 0.00 H new ATOM 0 HE3 MET A -18 38.824 22.869 14.794 1.00 0.00 H new ATOM 20 N ASN A -17 32.248 23.678 11.757 1.00 0.00 N ATOM 21 CA ASN A -17 30.897 23.230 12.076 1.00 0.00 C ATOM 22 C ASN A -17 30.869 21.729 12.346 1.00 0.00 C ATOM 23 O ASN A -17 30.748 20.925 11.422 1.00 0.00 O ATOM 24 CB ASN A -17 29.941 23.574 10.933 1.00 0.00 C ATOM 25 CG ASN A -17 29.236 24.900 11.150 1.00 0.00 C ATOM 26 OD1 ASN A -17 29.717 25.758 11.890 1.00 0.00 O ATOM 27 ND2 ASN A -17 28.090 25.074 10.503 1.00 0.00 N ATOM 0 H ASN A -17 32.477 23.654 10.763 1.00 0.00 H new ATOM 0 HA ASN A -17 30.573 23.747 12.979 1.00 0.00 H new ATOM 0 HB2 ASN A -17 30.497 23.610 9.996 1.00 0.00 H new ATOM 0 HB3 ASN A -17 29.198 22.782 10.833 1.00 0.00 H new ATOM 0 HD21 ASN A -17 27.572 25.946 10.609 1.00 0.00 H new ATOM 0 HD22 ASN A -17 27.728 24.336 9.899 1.00 0.00 H new ATOM 34 N SER A -16 30.980 21.358 13.617 1.00 0.00 N ATOM 35 CA SER A -16 30.967 19.954 14.007 1.00 0.00 C ATOM 36 C SER A -16 29.552 19.502 14.356 1.00 0.00 C ATOM 37 O SER A -16 29.021 19.846 15.413 1.00 0.00 O ATOM 38 CB SER A -16 31.898 19.723 15.198 1.00 0.00 C ATOM 39 OG SER A -16 32.937 20.686 15.227 1.00 0.00 O ATOM 0 H SER A -16 31.080 22.011 14.394 1.00 0.00 H new ATOM 0 HA SER A -16 31.321 19.364 13.161 1.00 0.00 H new ATOM 0 HB2 SER A -16 31.327 19.772 16.125 1.00 0.00 H new ATOM 0 HB3 SER A -16 32.327 18.723 15.140 1.00 0.00 H new ATOM 0 HG SER A -16 33.517 20.518 15.998 1.00 0.00 H new ATOM 45 N VAL A -15 28.948 18.722 13.466 1.00 0.00 N ATOM 46 CA VAL A -15 27.595 18.228 13.685 1.00 0.00 C ATOM 47 C VAL A -15 27.620 16.833 14.289 1.00 0.00 C ATOM 48 O VAL A -15 26.673 16.417 14.958 1.00 0.00 O ATOM 49 CB VAL A -15 26.785 18.197 12.375 1.00 0.00 C ATOM 50 CG1 VAL A -15 25.326 17.880 12.655 1.00 0.00 C ATOM 51 CG2 VAL A -15 26.918 19.520 11.635 1.00 0.00 C ATOM 0 H VAL A -15 29.373 18.419 12.589 1.00 0.00 H new ATOM 0 HA VAL A -15 27.113 18.916 14.379 1.00 0.00 H new ATOM 0 HB VAL A -15 27.187 17.408 11.740 1.00 0.00 H new ATOM 0 HG11 VAL A -15 24.771 17.863 11.717 1.00 0.00 H new ATOM 0 HG12 VAL A -15 25.252 16.906 13.139 1.00 0.00 H new ATOM 0 HG13 VAL A -15 24.907 18.643 13.311 1.00 0.00 H new ATOM 0 HG21 VAL A -15 26.340 19.480 10.712 1.00 0.00 H new ATOM 0 HG22 VAL A -15 26.543 20.328 12.264 1.00 0.00 H new ATOM 0 HG23 VAL A -15 27.967 19.701 11.398 1.00 0.00 H new ATOM 61 N LYS A -14 28.720 16.124 14.078 1.00 0.00 N ATOM 62 CA LYS A -14 28.879 14.790 14.633 1.00 0.00 C ATOM 63 C LYS A -14 29.371 14.899 16.067 1.00 0.00 C ATOM 64 O LYS A -14 28.967 14.131 16.938 1.00 0.00 O ATOM 65 CB LYS A -14 29.858 13.967 13.795 1.00 0.00 C ATOM 66 CG LYS A -14 29.610 12.469 13.870 1.00 0.00 C ATOM 67 CD LYS A -14 30.898 11.699 14.117 1.00 0.00 C ATOM 68 CE LYS A -14 31.250 11.664 15.596 1.00 0.00 C ATOM 69 NZ LYS A -14 32.716 11.517 15.814 1.00 0.00 N ATOM 0 H LYS A -14 29.514 16.451 13.527 1.00 0.00 H new ATOM 0 HA LYS A -14 27.915 14.281 14.618 1.00 0.00 H new ATOM 0 HB2 LYS A -14 29.792 14.287 12.755 1.00 0.00 H new ATOM 0 HB3 LYS A -14 30.874 14.176 14.128 1.00 0.00 H new ATOM 0 HG2 LYS A -14 28.900 12.257 14.669 1.00 0.00 H new ATOM 0 HG3 LYS A -14 29.154 12.128 12.940 1.00 0.00 H new ATOM 0 HD2 LYS A -14 30.792 10.681 13.743 1.00 0.00 H new ATOM 0 HD3 LYS A -14 31.712 12.161 13.559 1.00 0.00 H new ATOM 0 HE2 LYS A -14 30.902 12.580 16.074 1.00 0.00 H new ATOM 0 HE3 LYS A -14 30.727 10.836 16.074 1.00 0.00 H new ATOM 0 HZ1 LYS A -14 32.915 11.497 16.835 1.00 0.00 H new ATOM 0 HZ2 LYS A -14 33.044 10.631 15.380 1.00 0.00 H new ATOM 0 HZ3 LYS A -14 33.214 12.320 15.380 1.00 0.00 H new ATOM 83 N GLU A -13 30.233 15.884 16.303 1.00 0.00 N ATOM 84 CA GLU A -13 30.768 16.126 17.630 1.00 0.00 C ATOM 85 C GLU A -13 29.727 16.836 18.480 1.00 0.00 C ATOM 86 O GLU A -13 29.603 16.583 19.678 1.00 0.00 O ATOM 87 CB GLU A -13 32.047 16.960 17.552 1.00 0.00 C ATOM 88 CG GLU A -13 33.291 16.140 17.253 1.00 0.00 C ATOM 89 CD GLU A -13 33.759 15.332 18.448 1.00 0.00 C ATOM 90 OE1 GLU A -13 32.941 15.100 19.363 1.00 0.00 O ATOM 91 OE2 GLU A -13 34.941 14.933 18.469 1.00 0.00 O ATOM 0 H GLU A -13 30.574 16.526 15.588 1.00 0.00 H new ATOM 0 HA GLU A -13 31.014 15.169 18.090 1.00 0.00 H new ATOM 0 HB2 GLU A -13 31.929 17.720 16.780 1.00 0.00 H new ATOM 0 HB3 GLU A -13 32.187 17.485 18.497 1.00 0.00 H new ATOM 0 HG2 GLU A -13 33.086 15.466 16.421 1.00 0.00 H new ATOM 0 HG3 GLU A -13 34.092 16.806 16.933 1.00 0.00 H new ATOM 98 N LEU A -12 28.971 17.718 17.839 1.00 0.00 N ATOM 99 CA LEU A -12 27.922 18.462 18.519 1.00 0.00 C ATOM 100 C LEU A -12 26.736 17.556 18.829 1.00 0.00 C ATOM 101 O LEU A -12 25.983 17.802 19.770 1.00 0.00 O ATOM 102 CB LEU A -12 27.468 19.647 17.664 1.00 0.00 C ATOM 103 CG LEU A -12 26.350 20.493 18.272 1.00 0.00 C ATOM 104 CD1 LEU A -12 26.871 21.298 19.452 1.00 0.00 C ATOM 105 CD2 LEU A -12 25.748 21.414 17.220 1.00 0.00 C ATOM 0 H LEU A -12 29.066 17.935 16.847 1.00 0.00 H new ATOM 0 HA LEU A -12 28.326 18.840 19.458 1.00 0.00 H new ATOM 0 HB2 LEU A -12 28.328 20.290 17.476 1.00 0.00 H new ATOM 0 HB3 LEU A -12 27.133 19.271 16.697 1.00 0.00 H new ATOM 0 HG LEU A -12 25.568 19.824 18.632 1.00 0.00 H new ATOM 0 HD11 LEU A -12 26.061 21.894 19.872 1.00 0.00 H new ATOM 0 HD12 LEU A -12 27.255 20.620 20.214 1.00 0.00 H new ATOM 0 HD13 LEU A -12 27.671 21.958 19.117 1.00 0.00 H new ATOM 0 HD21 LEU A -12 24.953 22.009 17.670 1.00 0.00 H new ATOM 0 HD22 LEU A -12 26.521 22.076 16.830 1.00 0.00 H new ATOM 0 HD23 LEU A -12 25.338 20.817 16.406 1.00 0.00 H new ATOM 117 N ASN A -11 26.579 16.506 18.031 1.00 0.00 N ATOM 118 CA ASN A -11 25.487 15.559 18.220 1.00 0.00 C ATOM 119 C ASN A -11 25.663 14.775 19.516 1.00 0.00 C ATOM 120 O ASN A -11 24.690 14.307 20.107 1.00 0.00 O ATOM 121 CB ASN A -11 25.402 14.599 17.032 1.00 0.00 C ATOM 122 CG ASN A -11 24.148 14.812 16.205 1.00 0.00 C ATOM 123 OD1 ASN A -11 23.893 15.912 15.718 1.00 0.00 O ATOM 124 ND2 ASN A -11 23.360 13.756 16.043 1.00 0.00 N ATOM 0 H ASN A -11 27.194 16.289 17.247 1.00 0.00 H new ATOM 0 HA ASN A -11 24.557 16.124 18.285 1.00 0.00 H new ATOM 0 HB2 ASN A -11 26.279 14.731 16.398 1.00 0.00 H new ATOM 0 HB3 ASN A -11 25.424 13.572 17.396 1.00 0.00 H new ATOM 0 HD21 ASN A -11 22.503 13.838 15.496 1.00 0.00 H new ATOM 0 HD22 ASN A -11 23.611 12.862 16.466 1.00 0.00 H new ATOM 131 N VAL A -10 26.908 14.640 19.952 1.00 0.00 N ATOM 132 CA VAL A -10 27.214 13.916 21.179 1.00 0.00 C ATOM 133 C VAL A -10 26.790 14.719 22.404 1.00 0.00 C ATOM 134 O VAL A -10 26.104 14.206 23.288 1.00 0.00 O ATOM 135 CB VAL A -10 28.717 13.593 21.287 1.00 0.00 C ATOM 136 CG1 VAL A -10 28.986 12.700 22.489 1.00 0.00 C ATOM 137 CG2 VAL A -10 29.217 12.941 20.007 1.00 0.00 C ATOM 0 H VAL A -10 27.724 15.023 19.474 1.00 0.00 H new ATOM 0 HA VAL A -10 26.654 12.981 21.143 1.00 0.00 H new ATOM 0 HB VAL A -10 29.261 14.527 21.428 1.00 0.00 H new ATOM 0 HG11 VAL A -10 30.052 12.482 22.549 1.00 0.00 H new ATOM 0 HG12 VAL A -10 28.668 13.209 23.399 1.00 0.00 H new ATOM 0 HG13 VAL A -10 28.431 11.768 22.381 1.00 0.00 H new ATOM 0 HG21 VAL A -10 30.280 12.720 20.102 1.00 0.00 H new ATOM 0 HG22 VAL A -10 28.669 12.015 19.832 1.00 0.00 H new ATOM 0 HG23 VAL A -10 29.061 13.619 19.168 1.00 0.00 H new ATOM 147 N LYS A -9 27.201 15.982 22.447 1.00 0.00 N ATOM 148 CA LYS A -9 26.860 16.858 23.562 1.00 0.00 C ATOM 149 C LYS A -9 25.347 16.993 23.703 1.00 0.00 C ATOM 150 O LYS A -9 24.815 17.018 24.812 1.00 0.00 O ATOM 151 CB LYS A -9 27.491 18.237 23.366 1.00 0.00 C ATOM 152 CG LYS A -9 29.001 18.195 23.186 1.00 0.00 C ATOM 153 CD LYS A -9 29.703 17.769 24.465 1.00 0.00 C ATOM 154 CE LYS A -9 30.853 16.817 24.181 1.00 0.00 C ATOM 155 NZ LYS A -9 30.392 15.577 23.496 1.00 0.00 N ATOM 0 H LYS A -9 27.770 16.421 21.724 1.00 0.00 H new ATOM 0 HA LYS A -9 27.254 16.413 24.476 1.00 0.00 H new ATOM 0 HB2 LYS A -9 27.042 18.712 22.494 1.00 0.00 H new ATOM 0 HB3 LYS A -9 27.253 18.862 24.227 1.00 0.00 H new ATOM 0 HG2 LYS A -9 29.254 17.502 22.383 1.00 0.00 H new ATOM 0 HG3 LYS A -9 29.360 19.179 22.883 1.00 0.00 H new ATOM 0 HD2 LYS A -9 30.079 18.650 24.985 1.00 0.00 H new ATOM 0 HD3 LYS A -9 28.987 17.287 25.131 1.00 0.00 H new ATOM 0 HE2 LYS A -9 31.595 17.319 23.561 1.00 0.00 H new ATOM 0 HE3 LYS A -9 31.345 16.553 25.117 1.00 0.00 H new ATOM 0 HZ1 LYS A -9 30.811 14.747 23.962 1.00 0.00 H new ATOM 0 HZ2 LYS A -9 29.355 15.517 23.548 1.00 0.00 H new ATOM 0 HZ3 LYS A -9 30.688 15.600 22.499 1.00 0.00 H new ATOM 169 N GLU A -8 24.660 17.077 22.567 1.00 0.00 N ATOM 170 CA GLU A -8 23.208 17.206 22.560 1.00 0.00 C ATOM 171 C GLU A -8 22.556 16.004 23.227 1.00 0.00 C ATOM 172 O GLU A -8 22.009 16.104 24.325 1.00 0.00 O ATOM 173 CB GLU A -8 22.695 17.354 21.125 1.00 0.00 C ATOM 174 CG GLU A -8 22.131 18.732 20.821 1.00 0.00 C ATOM 175 CD GLU A -8 22.525 19.232 19.444 1.00 0.00 C ATOM 176 OE1 GLU A -8 22.264 18.514 18.456 1.00 0.00 O ATOM 177 OE2 GLU A -8 23.094 20.339 19.355 1.00 0.00 O ATOM 0 H GLU A -8 25.086 17.058 21.641 1.00 0.00 H new ATOM 0 HA GLU A -8 22.942 18.100 23.125 1.00 0.00 H new ATOM 0 HB2 GLU A -8 23.510 17.143 20.433 1.00 0.00 H new ATOM 0 HB3 GLU A -8 21.923 16.606 20.945 1.00 0.00 H new ATOM 0 HG2 GLU A -8 21.044 18.700 20.895 1.00 0.00 H new ATOM 0 HG3 GLU A -8 22.481 19.438 21.574 1.00 0.00 H new ATOM 184 N MET A -7 22.626 14.870 22.551 1.00 0.00 N ATOM 185 CA MET A -7 22.051 13.629 23.060 1.00 0.00 C ATOM 186 C MET A -7 22.540 13.339 24.477 1.00 0.00 C ATOM 187 O MET A -7 21.840 12.707 25.270 1.00 0.00 O ATOM 188 CB MET A -7 22.410 12.459 22.139 1.00 0.00 C ATOM 189 CG MET A -7 23.901 12.166 22.081 1.00 0.00 C ATOM 190 SD MET A -7 24.300 10.472 22.559 1.00 0.00 S ATOM 191 CE MET A -7 25.372 10.761 23.965 1.00 0.00 C ATOM 0 H MET A -7 23.078 14.780 21.641 1.00 0.00 H new ATOM 0 HA MET A -7 20.968 13.747 23.085 1.00 0.00 H new ATOM 0 HB2 MET A -7 21.886 11.566 22.479 1.00 0.00 H new ATOM 0 HB3 MET A -7 22.051 12.676 21.133 1.00 0.00 H new ATOM 0 HG2 MET A -7 24.263 12.348 21.069 1.00 0.00 H new ATOM 0 HG3 MET A -7 24.428 12.858 22.738 1.00 0.00 H new ATOM 0 HE1 MET A -7 25.949 9.860 24.174 1.00 0.00 H new ATOM 0 HE2 MET A -7 26.051 11.584 23.742 1.00 0.00 H new ATOM 0 HE3 MET A -7 24.769 11.015 24.836 1.00 0.00 H new ATOM 201 N LYS A -6 23.745 13.812 24.788 1.00 0.00 N ATOM 202 CA LYS A -6 24.332 13.607 26.108 1.00 0.00 C ATOM 203 C LYS A -6 23.388 14.089 27.204 1.00 0.00 C ATOM 204 O LYS A -6 22.886 13.293 27.997 1.00 0.00 O ATOM 205 CB LYS A -6 25.674 14.338 26.211 1.00 0.00 C ATOM 206 CG LYS A -6 26.879 13.416 26.101 1.00 0.00 C ATOM 207 CD LYS A -6 28.182 14.198 26.133 1.00 0.00 C ATOM 208 CE LYS A -6 29.248 13.475 26.944 1.00 0.00 C ATOM 209 NZ LYS A -6 30.283 12.854 26.072 1.00 0.00 N ATOM 0 H LYS A -6 24.333 14.340 24.143 1.00 0.00 H new ATOM 0 HA LYS A -6 24.498 12.538 26.244 1.00 0.00 H new ATOM 0 HB2 LYS A -6 25.730 15.091 25.424 1.00 0.00 H new ATOM 0 HB3 LYS A -6 25.718 14.868 27.163 1.00 0.00 H new ATOM 0 HG2 LYS A -6 26.865 12.697 26.920 1.00 0.00 H new ATOM 0 HG3 LYS A -6 26.818 12.845 25.174 1.00 0.00 H new ATOM 0 HD2 LYS A -6 28.540 14.352 25.115 1.00 0.00 H new ATOM 0 HD3 LYS A -6 28.005 15.185 26.561 1.00 0.00 H new ATOM 0 HE2 LYS A -6 29.724 14.178 27.627 1.00 0.00 H new ATOM 0 HE3 LYS A -6 28.779 12.704 27.556 1.00 0.00 H new ATOM 0 HZ1 LYS A -6 30.912 12.260 26.649 1.00 0.00 H new ATOM 0 HZ2 LYS A -6 29.821 12.267 25.348 1.00 0.00 H new ATOM 0 HZ3 LYS A -6 30.840 13.600 25.609 1.00 0.00 H new ATOM 223 N GLN A -5 23.148 15.396 27.243 1.00 0.00 N ATOM 224 CA GLN A -5 22.263 15.976 28.243 1.00 0.00 C ATOM 225 C GLN A -5 20.802 15.921 27.801 1.00 0.00 C ATOM 226 O GLN A -5 19.952 16.625 28.345 1.00 0.00 O ATOM 227 CB GLN A -5 22.648 17.424 28.480 1.00 0.00 C ATOM 228 CG GLN A -5 23.993 17.598 29.166 1.00 0.00 C ATOM 229 CD GLN A -5 25.118 17.861 28.185 1.00 0.00 C ATOM 230 OE1 GLN A -5 26.096 16.962 28.149 1.00 0.00 O flip ATOM 231 NE2 GLN A -5 25.110 18.861 27.466 1.00 0.00 N flip ATOM 0 H GLN A -5 23.554 16.071 26.595 1.00 0.00 H new ATOM 0 HA GLN A -5 22.369 15.395 29.159 1.00 0.00 H new ATOM 0 HB2 GLN A -5 22.669 17.946 27.523 1.00 0.00 H new ATOM 0 HB3 GLN A -5 21.877 17.900 29.086 1.00 0.00 H new ATOM 0 HG2 GLN A -5 23.932 18.425 29.873 1.00 0.00 H new ATOM 0 HG3 GLN A -5 24.221 16.702 29.743 1.00 0.00 H new ATOM 0 HE21 GLN A -5 24.339 19.526 27.526 1.00 0.00 H new ATOM 0 HE22 GLN A -5 25.874 19.024 26.811 1.00 0.00 H new ATOM 240 N LEU A -4 20.520 15.076 26.826 1.00 0.00 N ATOM 241 CA LEU A -4 19.164 14.915 26.314 1.00 0.00 C ATOM 242 C LEU A -4 18.423 13.841 27.091 1.00 0.00 C ATOM 243 O LEU A -4 17.326 14.063 27.604 1.00 0.00 O ATOM 244 CB LEU A -4 19.192 14.564 24.826 1.00 0.00 C ATOM 245 CG LEU A -4 18.074 15.191 23.991 1.00 0.00 C ATOM 246 CD1 LEU A -4 16.712 14.841 24.571 1.00 0.00 C ATOM 247 CD2 LEU A -4 18.251 16.700 23.914 1.00 0.00 C ATOM 0 H LEU A -4 21.214 14.486 26.368 1.00 0.00 H new ATOM 0 HA LEU A -4 18.637 15.861 26.440 1.00 0.00 H new ATOM 0 HB2 LEU A -4 20.151 14.876 24.413 1.00 0.00 H new ATOM 0 HB3 LEU A -4 19.137 13.480 24.723 1.00 0.00 H new ATOM 0 HG LEU A -4 18.130 14.785 22.981 1.00 0.00 H new ATOM 0 HD11 LEU A -4 15.930 15.296 23.963 1.00 0.00 H new ATOM 0 HD12 LEU A -4 16.585 13.758 24.574 1.00 0.00 H new ATOM 0 HD13 LEU A -4 16.644 15.217 25.592 1.00 0.00 H new ATOM 0 HD21 LEU A -4 17.447 17.131 23.316 1.00 0.00 H new ATOM 0 HD22 LEU A -4 18.222 17.121 24.919 1.00 0.00 H new ATOM 0 HD23 LEU A -4 19.211 16.931 23.451 1.00 0.00 H new ATOM 259 N HIS A -3 19.040 12.676 27.170 1.00 0.00 N ATOM 260 CA HIS A -3 18.463 11.542 27.881 1.00 0.00 C ATOM 261 C HIS A -3 18.372 11.819 29.378 1.00 0.00 C ATOM 262 O HIS A -3 17.580 11.198 30.087 1.00 0.00 O ATOM 263 CB HIS A -3 19.291 10.281 27.634 1.00 0.00 C ATOM 264 CG HIS A -3 19.280 9.827 26.207 1.00 0.00 C ATOM 265 ND1 HIS A -3 19.014 8.526 25.833 1.00 0.00 N ATOM 266 CD2 HIS A -3 19.503 10.508 25.058 1.00 0.00 C ATOM 267 CE1 HIS A -3 19.075 8.426 24.518 1.00 0.00 C ATOM 268 NE2 HIS A -3 19.370 9.614 24.024 1.00 0.00 N ATOM 0 H HIS A -3 19.949 12.486 26.748 1.00 0.00 H new ATOM 0 HA HIS A -3 17.454 11.387 27.499 1.00 0.00 H new ATOM 0 HB2 HIS A -3 20.321 10.467 27.940 1.00 0.00 H new ATOM 0 HB3 HIS A -3 18.911 9.478 28.265 1.00 0.00 H new ATOM 0 HD2 HIS A -3 19.741 11.558 24.971 1.00 0.00 H new ATOM 0 HE1 HIS A -3 18.911 7.526 23.944 1.00 0.00 H new ATOM 0 HE2 HIS A -3 19.481 9.833 23.034 1.00 0.00 H new ATOM 277 N GLY A -2 19.187 12.753 29.854 1.00 0.00 N ATOM 278 CA GLY A -2 19.183 13.094 31.264 1.00 0.00 C ATOM 279 C GLY A -2 18.026 13.999 31.638 1.00 0.00 C ATOM 280 O GLY A -2 17.962 15.149 31.203 1.00 0.00 O ATOM 0 H GLY A -2 19.851 13.281 29.288 1.00 0.00 H new ATOM 0 HA2 GLY A -2 19.131 12.180 31.856 1.00 0.00 H new ATOM 0 HA3 GLY A -2 20.122 13.586 31.518 1.00 0.00 H new ATOM 284 N GLY A -1 17.108 13.480 32.448 1.00 0.00 N ATOM 285 CA GLY A -1 15.961 14.262 32.866 1.00 0.00 C ATOM 286 C GLY A -1 14.824 14.204 31.864 1.00 0.00 C ATOM 287 O GLY A -1 14.211 15.224 31.551 1.00 0.00 O ATOM 0 H GLY A -1 17.139 12.531 32.822 1.00 0.00 H new ATOM 0 HA2 GLY A -1 15.609 13.898 33.831 1.00 0.00 H new ATOM 0 HA3 GLY A -1 16.264 15.299 33.007 1.00 0.00 H new ATOM 291 N VAL A 1 14.545 13.006 31.359 1.00 0.00 N ATOM 292 CA VAL A 1 13.475 12.818 30.387 1.00 0.00 C ATOM 293 C VAL A 1 12.134 13.277 30.947 1.00 0.00 C ATOM 294 O VAL A 1 11.491 12.561 31.714 1.00 0.00 O ATOM 295 CB VAL A 1 13.360 11.344 29.957 1.00 0.00 C ATOM 296 CG1 VAL A 1 14.574 10.929 29.139 1.00 0.00 C ATOM 297 CG2 VAL A 1 13.194 10.445 31.173 1.00 0.00 C ATOM 0 H VAL A 1 15.045 12.152 31.607 1.00 0.00 H new ATOM 0 HA VAL A 1 13.729 13.425 29.518 1.00 0.00 H new ATOM 0 HB VAL A 1 12.475 11.235 29.330 1.00 0.00 H new ATOM 0 HG11 VAL A 1 14.474 9.884 28.844 1.00 0.00 H new ATOM 0 HG12 VAL A 1 14.642 11.552 28.248 1.00 0.00 H new ATOM 0 HG13 VAL A 1 15.476 11.053 29.738 1.00 0.00 H new ATOM 0 HG21 VAL A 1 13.114 9.407 30.850 1.00 0.00 H new ATOM 0 HG22 VAL A 1 14.058 10.556 31.828 1.00 0.00 H new ATOM 0 HG23 VAL A 1 12.290 10.727 31.713 1.00 0.00 H new ATOM 307 N ASN A 2 11.717 14.477 30.557 1.00 0.00 N ATOM 308 CA ASN A 2 10.451 15.034 31.019 1.00 0.00 C ATOM 309 C ASN A 2 9.971 16.139 30.085 1.00 0.00 C ATOM 310 O ASN A 2 9.429 17.152 30.527 1.00 0.00 O ATOM 311 CB ASN A 2 10.598 15.575 32.445 1.00 0.00 C ATOM 312 CG ASN A 2 9.593 14.963 33.401 1.00 0.00 C ATOM 313 OD1 ASN A 2 9.752 13.824 33.841 1.00 0.00 O ATOM 314 ND2 ASN A 2 8.550 15.718 33.728 1.00 0.00 N ATOM 0 H ASN A 2 12.237 15.082 29.922 1.00 0.00 H new ATOM 0 HA ASN A 2 9.707 14.237 31.018 1.00 0.00 H new ATOM 0 HB2 ASN A 2 11.607 15.374 32.805 1.00 0.00 H new ATOM 0 HB3 ASN A 2 10.473 16.658 32.435 1.00 0.00 H new ATOM 0 HD21 ASN A 2 7.841 15.359 34.368 1.00 0.00 H new ATOM 0 HD22 ASN A 2 8.458 16.657 33.340 1.00 0.00 H new ATOM 321 N TYR A 3 10.173 15.935 28.788 1.00 0.00 N ATOM 322 CA TYR A 3 9.764 16.910 27.785 1.00 0.00 C ATOM 323 C TYR A 3 10.040 16.390 26.378 1.00 0.00 C ATOM 324 O TYR A 3 10.448 17.143 25.495 1.00 0.00 O ATOM 325 CB TYR A 3 10.492 18.237 28.005 1.00 0.00 C ATOM 326 CG TYR A 3 11.961 18.080 28.326 1.00 0.00 C ATOM 327 CD1 TYR A 3 12.854 17.608 27.372 1.00 0.00 C ATOM 328 CD2 TYR A 3 12.456 18.402 29.583 1.00 0.00 C ATOM 329 CE1 TYR A 3 14.198 17.463 27.661 1.00 0.00 C ATOM 330 CE2 TYR A 3 13.797 18.259 29.881 1.00 0.00 C ATOM 331 CZ TYR A 3 14.664 17.789 28.917 1.00 0.00 C ATOM 332 OH TYR A 3 16.001 17.646 29.209 1.00 0.00 O ATOM 0 H TYR A 3 10.619 15.101 28.406 1.00 0.00 H new ATOM 0 HA TYR A 3 8.691 17.073 27.888 1.00 0.00 H new ATOM 0 HB2 TYR A 3 10.389 18.850 27.110 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.007 18.776 28.819 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.492 17.350 26.388 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.780 18.771 30.341 1.00 0.00 H new ATOM 0 HE1 TYR A 3 14.879 17.096 26.907 1.00 0.00 H new ATOM 0 HE2 TYR A 3 14.165 18.514 30.864 1.00 0.00 H new ATOM 0 HH TYR A 3 16.165 17.920 30.136 1.00 0.00 H new ATOM 342 N GLY A 4 9.811 15.097 26.180 1.00 0.00 N ATOM 343 CA GLY A 4 10.038 14.492 24.880 1.00 0.00 C ATOM 344 C GLY A 4 8.761 13.963 24.257 1.00 0.00 C ATOM 345 O GLY A 4 8.014 14.710 23.625 1.00 0.00 O ATOM 0 H GLY A 4 9.472 14.456 26.897 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.486 15.228 24.213 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.754 13.677 24.982 1.00 0.00 H new ATOM 349 N ASN A 5 8.510 12.669 24.435 1.00 0.00 N ATOM 350 CA ASN A 5 7.313 12.038 23.883 1.00 0.00 C ATOM 351 C ASN A 5 6.050 12.783 24.311 1.00 0.00 C ATOM 352 O ASN A 5 5.577 13.675 23.606 1.00 0.00 O ATOM 353 CB ASN A 5 7.232 10.559 24.292 1.00 0.00 C ATOM 354 CG ASN A 5 7.831 10.282 25.661 1.00 0.00 C ATOM 355 OD1 ASN A 5 7.159 10.417 26.683 1.00 0.00 O ATOM 356 ND2 ASN A 5 9.101 9.895 25.685 1.00 0.00 N ATOM 0 H ASN A 5 9.118 12.037 24.956 1.00 0.00 H new ATOM 0 HA ASN A 5 7.384 12.089 22.796 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.188 10.245 24.289 1.00 0.00 H new ATOM 0 HB3 ASN A 5 7.749 9.954 23.547 1.00 0.00 H new ATOM 0 HD21 ASN A 5 9.557 9.697 26.576 1.00 0.00 H new ATOM 0 HD22 ASN A 5 9.621 9.796 24.813 1.00 0.00 H new ATOM 363 N GLY A 6 5.511 12.416 25.463 1.00 0.00 N ATOM 364 CA GLY A 6 4.310 13.059 25.966 1.00 0.00 C ATOM 365 C GLY A 6 3.176 13.046 24.959 1.00 0.00 C ATOM 366 O GLY A 6 2.739 14.099 24.492 1.00 0.00 O ATOM 0 H GLY A 6 5.884 11.681 26.063 1.00 0.00 H new ATOM 0 HA2 GLY A 6 3.987 12.556 26.877 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.540 14.090 26.235 1.00 0.00 H new ATOM 370 N VAL A 7 2.701 11.852 24.620 1.00 0.00 N ATOM 371 CA VAL A 7 1.614 11.706 23.659 1.00 0.00 C ATOM 372 C VAL A 7 0.260 11.670 24.361 1.00 0.00 C ATOM 373 O VAL A 7 0.180 11.421 25.564 1.00 0.00 O ATOM 374 CB VAL A 7 1.773 10.428 22.813 1.00 0.00 C ATOM 375 CG1 VAL A 7 0.863 10.473 21.596 1.00 0.00 C ATOM 376 CG2 VAL A 7 3.224 10.237 22.394 1.00 0.00 C ATOM 0 H VAL A 7 3.052 10.971 24.997 1.00 0.00 H new ATOM 0 HA VAL A 7 1.659 12.574 23.002 1.00 0.00 H new ATOM 0 HB VAL A 7 1.481 9.575 23.425 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.991 9.561 21.012 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.175 10.554 21.920 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.119 11.336 20.982 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.314 9.329 21.798 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.548 11.093 21.802 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.851 10.152 23.282 1.00 0.00 H new ATOM 386 N SER A 8 -0.801 11.920 23.600 1.00 0.00 N ATOM 387 CA SER A 8 -2.152 11.918 24.146 1.00 0.00 C ATOM 388 C SER A 8 -3.186 11.759 23.034 1.00 0.00 C ATOM 389 O SER A 8 -2.897 12.009 21.864 1.00 0.00 O ATOM 390 CB SER A 8 -2.409 13.210 24.922 1.00 0.00 C ATOM 391 OG SER A 8 -2.819 12.935 26.251 1.00 0.00 O ATOM 0 H SER A 8 -0.750 12.127 22.602 1.00 0.00 H new ATOM 0 HA SER A 8 -2.245 11.071 24.826 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.503 13.816 24.936 1.00 0.00 H new ATOM 0 HB3 SER A 8 -3.176 13.796 24.415 1.00 0.00 H new ATOM 0 HG SER A 8 -2.975 13.778 26.726 1.00 0.00 H new ATOM 397 N CYS A 9 -4.391 11.343 23.410 1.00 0.00 N ATOM 398 CA CYS A 9 -5.469 11.153 22.444 1.00 0.00 C ATOM 399 C CYS A 9 -6.725 11.901 22.885 1.00 0.00 C ATOM 400 O CYS A 9 -6.835 12.316 24.040 1.00 0.00 O ATOM 401 CB CYS A 9 -5.771 9.661 22.275 1.00 0.00 C ATOM 402 SG CYS A 9 -6.727 9.249 20.776 1.00 0.00 S ATOM 0 H CYS A 9 -4.646 11.131 24.375 1.00 0.00 H new ATOM 0 HA CYS A 9 -5.148 11.558 21.484 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.829 9.113 22.252 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -6.322 9.313 23.149 1.00 0.00 H new ATOM 407 N SER A 10 -7.663 12.078 21.959 1.00 0.00 N ATOM 408 CA SER A 10 -8.910 12.787 22.252 1.00 0.00 C ATOM 409 C SER A 10 -8.633 14.239 22.625 1.00 0.00 C ATOM 410 O SER A 10 -9.466 14.913 23.233 1.00 0.00 O ATOM 411 CB SER A 10 -9.634 12.105 23.401 1.00 0.00 C ATOM 412 OG SER A 10 -10.565 11.147 22.930 1.00 0.00 O ATOM 0 H SER A 10 -7.586 11.741 20.999 1.00 0.00 H new ATOM 0 HA SER A 10 -9.532 12.765 21.357 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.908 11.619 24.053 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.152 12.853 24.002 1.00 0.00 H new ATOM 0 HG SER A 10 -11.013 10.724 23.692 1.00 0.00 H new ATOM 418 N LYS A 11 -7.456 14.703 22.253 1.00 0.00 N ATOM 419 CA LYS A 11 -7.031 16.071 22.531 1.00 0.00 C ATOM 420 C LYS A 11 -5.896 16.484 21.603 1.00 0.00 C ATOM 421 O LYS A 11 -5.804 17.639 21.185 1.00 0.00 O ATOM 422 CB LYS A 11 -6.590 16.200 23.989 1.00 0.00 C ATOM 423 CG LYS A 11 -7.067 17.480 24.657 1.00 0.00 C ATOM 424 CD LYS A 11 -7.738 17.199 25.993 1.00 0.00 C ATOM 425 CE LYS A 11 -8.771 18.261 26.333 1.00 0.00 C ATOM 426 NZ LYS A 11 -8.143 19.590 26.571 1.00 0.00 N ATOM 0 H LYS A 11 -6.764 14.147 21.750 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.878 16.735 22.355 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.966 15.345 24.551 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.502 16.159 24.036 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.220 18.149 24.808 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.767 17.995 23.999 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.218 16.221 25.962 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.984 17.159 26.779 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.492 18.340 25.519 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.325 17.957 27.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.881 20.287 26.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.474 19.521 27.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.635 19.892 25.715 1.00 0.00 H new ATOM 440 N THR A 12 -5.037 15.529 21.290 1.00 0.00 N ATOM 441 CA THR A 12 -3.904 15.763 20.418 1.00 0.00 C ATOM 442 C THR A 12 -3.550 14.478 19.670 1.00 0.00 C ATOM 443 O THR A 12 -4.044 13.403 20.010 1.00 0.00 O ATOM 444 CB THR A 12 -2.721 16.285 21.248 1.00 0.00 C ATOM 445 OG1 THR A 12 -2.674 17.701 21.206 1.00 0.00 O ATOM 446 CG2 THR A 12 -1.365 15.775 20.805 1.00 0.00 C ATOM 0 H THR A 12 -5.107 14.571 21.634 1.00 0.00 H new ATOM 0 HA THR A 12 -4.154 16.519 19.673 1.00 0.00 H new ATOM 0 HB THR A 12 -2.906 15.909 22.254 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.586 18.058 21.187 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.591 16.195 21.447 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.344 14.687 20.876 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.183 16.075 19.773 1.00 0.00 H new ATOM 454 N LYS A 13 -2.705 14.600 18.644 1.00 0.00 N ATOM 455 CA LYS A 13 -2.285 13.453 17.831 1.00 0.00 C ATOM 456 C LYS A 13 -2.266 12.155 18.639 1.00 0.00 C ATOM 457 O LYS A 13 -1.575 12.052 19.652 1.00 0.00 O ATOM 458 CB LYS A 13 -0.900 13.711 17.234 1.00 0.00 C ATOM 459 CG LYS A 13 -0.881 14.829 16.204 1.00 0.00 C ATOM 460 CD LYS A 13 0.247 15.815 16.467 1.00 0.00 C ATOM 461 CE LYS A 13 -0.266 17.090 17.117 1.00 0.00 C ATOM 462 NZ LYS A 13 -0.359 18.212 16.142 1.00 0.00 N ATOM 0 H LYS A 13 -2.295 15.488 18.354 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.015 13.336 17.030 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.207 13.957 18.038 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.537 12.794 16.770 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.768 14.404 15.207 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.836 15.355 16.220 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.993 15.352 17.112 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.744 16.059 15.528 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.248 16.906 17.553 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.397 17.373 17.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.713 19.063 16.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.582 18.405 15.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.012 17.952 15.375 1.00 0.00 H new ATOM 476 N CYS A 14 -3.034 11.170 18.181 1.00 0.00 N ATOM 477 CA CYS A 14 -3.114 9.879 18.859 1.00 0.00 C ATOM 478 C CYS A 14 -2.073 8.904 18.313 1.00 0.00 C ATOM 479 O CYS A 14 -2.350 7.716 18.147 1.00 0.00 O ATOM 480 CB CYS A 14 -4.514 9.283 18.698 1.00 0.00 C ATOM 481 SG CYS A 14 -5.855 10.353 19.310 1.00 0.00 S ATOM 0 H CYS A 14 -3.610 11.241 17.342 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.910 10.043 19.917 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.687 9.070 17.643 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.554 8.331 19.226 1.00 0.00 H new ATOM 486 N SER A 15 -0.875 9.410 18.035 1.00 0.00 N ATOM 487 CA SER A 15 0.200 8.577 17.508 1.00 0.00 C ATOM 488 C SER A 15 1.516 8.870 18.224 1.00 0.00 C ATOM 489 O SER A 15 1.719 9.967 18.745 1.00 0.00 O ATOM 490 CB SER A 15 0.363 8.808 16.004 1.00 0.00 C ATOM 491 OG SER A 15 0.788 7.625 15.350 1.00 0.00 O ATOM 0 H SER A 15 -0.625 10.390 18.166 1.00 0.00 H new ATOM 0 HA SER A 15 -0.064 7.534 17.682 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.584 9.142 15.579 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.088 9.603 15.831 1.00 0.00 H new ATOM 0 HG SER A 15 0.883 7.798 14.390 1.00 0.00 H new ATOM 497 N VAL A 16 2.404 7.882 18.244 1.00 0.00 N ATOM 498 CA VAL A 16 3.699 8.033 18.895 1.00 0.00 C ATOM 499 C VAL A 16 4.769 8.480 17.900 1.00 0.00 C ATOM 500 O VAL A 16 5.852 7.899 17.831 1.00 0.00 O ATOM 501 CB VAL A 16 4.144 6.720 19.570 1.00 0.00 C ATOM 502 CG1 VAL A 16 4.310 5.613 18.537 1.00 0.00 C ATOM 503 CG2 VAL A 16 5.431 6.927 20.357 1.00 0.00 C ATOM 0 H VAL A 16 2.250 6.969 17.817 1.00 0.00 H new ATOM 0 HA VAL A 16 3.583 8.801 19.660 1.00 0.00 H new ATOM 0 HB VAL A 16 3.366 6.415 20.270 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.624 4.695 19.034 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.360 5.444 18.029 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.064 5.907 17.807 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.726 5.988 20.825 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.220 7.261 19.683 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.269 7.681 21.127 1.00 0.00 H new ATOM 513 N ASN A 17 4.454 9.518 17.129 1.00 0.00 N ATOM 514 CA ASN A 17 5.383 10.048 16.136 1.00 0.00 C ATOM 515 C ASN A 17 5.535 9.085 14.964 1.00 0.00 C ATOM 516 O ASN A 17 6.290 8.115 15.037 1.00 0.00 O ATOM 517 CB ASN A 17 6.751 10.323 16.771 1.00 0.00 C ATOM 518 CG ASN A 17 7.129 11.792 16.716 1.00 0.00 C ATOM 519 OD1 ASN A 17 6.321 12.665 17.033 1.00 0.00 O ATOM 520 ND2 ASN A 17 8.363 12.069 16.313 1.00 0.00 N ATOM 0 H ASN A 17 3.561 10.009 17.173 1.00 0.00 H new ATOM 0 HA ASN A 17 4.974 10.986 15.761 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.740 9.992 17.809 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.512 9.735 16.257 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.675 13.038 16.256 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.999 11.313 16.060 1.00 0.00 H new ATOM 527 N TRP A 18 4.811 9.360 13.885 1.00 0.00 N ATOM 528 CA TRP A 18 4.863 8.522 12.694 1.00 0.00 C ATOM 529 C TRP A 18 6.195 8.677 11.958 1.00 0.00 C ATOM 530 O TRP A 18 6.480 7.941 11.013 1.00 0.00 O ATOM 531 CB TRP A 18 3.702 8.864 11.755 1.00 0.00 C ATOM 532 CG TRP A 18 2.877 7.672 11.374 1.00 0.00 C ATOM 533 CD1 TRP A 18 2.412 6.696 12.208 1.00 0.00 C ATOM 534 CD2 TRP A 18 2.422 7.327 10.060 1.00 0.00 C ATOM 535 NE1 TRP A 18 1.694 5.767 11.494 1.00 0.00 N ATOM 536 CE2 TRP A 18 1.686 6.133 10.174 1.00 0.00 C ATOM 537 CE3 TRP A 18 2.564 7.914 8.800 1.00 0.00 C ATOM 538 CZ2 TRP A 18 1.094 5.516 9.074 1.00 0.00 C ATOM 539 CZ3 TRP A 18 1.976 7.301 7.710 1.00 0.00 C ATOM 540 CH2 TRP A 18 1.250 6.112 7.853 1.00 0.00 C ATOM 0 H TRP A 18 4.180 10.158 13.811 1.00 0.00 H new ATOM 0 HA TRP A 18 4.774 7.484 13.013 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.060 9.603 12.236 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.099 9.326 10.851 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.584 6.659 13.274 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.241 4.940 11.883 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.123 8.830 8.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.532 4.600 9.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.078 7.746 6.731 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.804 5.656 6.981 1.00 0.00 H new ATOM 551 N GLY A 19 7.011 9.636 12.397 1.00 0.00 N ATOM 552 CA GLY A 19 8.303 9.863 11.769 1.00 0.00 C ATOM 553 C GLY A 19 9.128 8.595 11.689 1.00 0.00 C ATOM 554 O GLY A 19 9.603 8.213 10.616 1.00 0.00 O ATOM 0 H GLY A 19 6.799 10.259 13.176 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.153 10.261 10.766 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.852 10.617 12.333 1.00 0.00 H new ATOM 558 N GLN A 20 9.283 7.924 12.824 1.00 0.00 N ATOM 559 CA GLN A 20 10.037 6.682 12.860 1.00 0.00 C ATOM 560 C GLN A 20 9.463 5.716 11.835 1.00 0.00 C ATOM 561 O GLN A 20 10.173 5.238 10.951 1.00 0.00 O ATOM 562 CB GLN A 20 9.988 6.061 14.258 1.00 0.00 C ATOM 563 CG GLN A 20 11.043 4.990 14.484 1.00 0.00 C ATOM 564 CD GLN A 20 12.408 5.574 14.793 1.00 0.00 C ATOM 565 OE1 GLN A 20 12.556 6.389 15.705 1.00 0.00 O ATOM 566 NE2 GLN A 20 13.415 5.161 14.033 1.00 0.00 N ATOM 0 H GLN A 20 8.900 8.217 13.723 1.00 0.00 H new ATOM 0 HA GLN A 20 11.079 6.891 12.619 1.00 0.00 H new ATOM 0 HB2 GLN A 20 10.116 6.848 15.001 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.001 5.627 14.420 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.732 4.347 15.307 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.113 4.361 13.597 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.248 4.484 13.288 1.00 0.00 H new ATOM 0 HE22 GLN A 20 14.356 5.520 14.194 1.00 0.00 H new ATOM 575 N ALA A 21 8.163 5.449 11.947 1.00 0.00 N ATOM 576 CA ALA A 21 7.495 4.558 11.008 1.00 0.00 C ATOM 577 C ALA A 21 7.463 5.123 9.602 1.00 0.00 C ATOM 578 O ALA A 21 7.071 4.449 8.649 1.00 0.00 O ATOM 579 CB ALA A 21 6.106 4.193 11.482 1.00 0.00 C ATOM 0 H ALA A 21 7.558 5.834 12.673 1.00 0.00 H new ATOM 0 HA ALA A 21 8.087 3.643 10.971 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.637 3.527 10.757 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.171 3.690 12.447 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.507 5.098 11.584 1.00 0.00 H new ATOM 585 N PHE A 22 7.916 6.343 9.478 1.00 0.00 N ATOM 586 CA PHE A 22 7.995 6.995 8.184 1.00 0.00 C ATOM 587 C PHE A 22 9.124 6.337 7.426 1.00 0.00 C ATOM 588 O PHE A 22 9.008 6.017 6.242 1.00 0.00 O ATOM 589 CB PHE A 22 8.240 8.498 8.328 1.00 0.00 C ATOM 590 CG PHE A 22 7.794 9.296 7.136 1.00 0.00 C ATOM 591 CD1 PHE A 22 6.498 9.779 7.055 1.00 0.00 C ATOM 592 CD2 PHE A 22 8.672 9.563 6.097 1.00 0.00 C ATOM 593 CE1 PHE A 22 6.085 10.514 5.959 1.00 0.00 C ATOM 594 CE2 PHE A 22 8.265 10.297 4.999 1.00 0.00 C ATOM 595 CZ PHE A 22 6.970 10.773 4.930 1.00 0.00 C ATOM 0 H PHE A 22 8.239 6.914 10.259 1.00 0.00 H new ATOM 0 HA PHE A 22 7.052 6.887 7.649 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.717 8.860 9.213 1.00 0.00 H new ATOM 0 HB3 PHE A 22 9.304 8.670 8.493 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.803 9.579 7.857 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.686 9.193 6.146 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.072 10.885 5.907 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.959 10.498 4.196 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.650 11.347 4.073 1.00 0.00 H new ATOM 605 N GLN A 23 10.206 6.087 8.155 1.00 0.00 N ATOM 606 CA GLN A 23 11.358 5.403 7.603 1.00 0.00 C ATOM 607 C GLN A 23 11.032 3.915 7.465 1.00 0.00 C ATOM 608 O GLN A 23 11.631 3.208 6.655 1.00 0.00 O ATOM 609 CB GLN A 23 12.581 5.600 8.505 1.00 0.00 C ATOM 610 CG GLN A 23 13.636 6.515 7.908 1.00 0.00 C ATOM 611 CD GLN A 23 13.575 7.922 8.471 1.00 0.00 C ATOM 612 OE1 GLN A 23 13.680 8.124 9.681 1.00 0.00 O ATOM 613 NE2 GLN A 23 13.401 8.904 7.594 1.00 0.00 N ATOM 0 H GLN A 23 10.304 6.352 9.135 1.00 0.00 H new ATOM 0 HA GLN A 23 11.592 5.818 6.623 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.255 6.010 9.461 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.030 4.628 8.712 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.624 6.095 8.096 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.507 6.555 6.826 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.319 8.691 6.600 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.350 9.871 7.915 1.00 0.00 H new ATOM 622 N GLU A 24 10.057 3.455 8.260 1.00 0.00 N ATOM 623 CA GLU A 24 9.627 2.062 8.227 1.00 0.00 C ATOM 624 C GLU A 24 9.107 1.706 6.841 1.00 0.00 C ATOM 625 O GLU A 24 9.407 0.640 6.304 1.00 0.00 O ATOM 626 CB GLU A 24 8.539 1.805 9.271 1.00 0.00 C ATOM 627 CG GLU A 24 9.086 1.447 10.642 1.00 0.00 C ATOM 628 CD GLU A 24 9.614 0.026 10.707 1.00 0.00 C ATOM 629 OE1 GLU A 24 10.330 -0.383 9.769 1.00 0.00 O ATOM 630 OE2 GLU A 24 9.311 -0.675 11.695 1.00 0.00 O ATOM 0 H GLU A 24 9.554 4.033 8.933 1.00 0.00 H new ATOM 0 HA GLU A 24 10.487 1.434 8.460 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.914 2.694 9.359 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.896 0.996 8.923 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.886 2.140 10.902 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.300 1.573 11.387 1.00 0.00 H new ATOM 637 N ARG A 25 8.325 2.616 6.269 1.00 0.00 N ATOM 638 CA ARG A 25 7.756 2.419 4.944 1.00 0.00 C ATOM 639 C ARG A 25 8.839 2.485 3.875 1.00 0.00 C ATOM 640 O ARG A 25 8.746 1.832 2.836 1.00 0.00 O ATOM 641 CB ARG A 25 6.679 3.472 4.671 1.00 0.00 C ATOM 642 CG ARG A 25 5.298 3.071 5.165 1.00 0.00 C ATOM 643 CD ARG A 25 4.377 2.693 4.013 1.00 0.00 C ATOM 644 NE ARG A 25 4.352 3.718 2.971 1.00 0.00 N ATOM 645 CZ ARG A 25 4.946 3.594 1.783 1.00 0.00 C ATOM 646 NH1 ARG A 25 5.629 2.498 1.478 1.00 0.00 N ATOM 647 NH2 ARG A 25 4.858 4.577 0.898 1.00 0.00 N ATOM 0 H ARG A 25 8.071 3.501 6.707 1.00 0.00 H new ATOM 0 HA ARG A 25 7.301 1.429 4.909 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.969 4.408 5.148 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.631 3.662 3.599 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.387 2.229 5.851 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.859 3.895 5.727 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.705 1.747 3.583 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.367 2.538 4.393 1.00 0.00 H new ATOM 0 HE ARG A 25 3.848 4.583 3.165 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.704 1.739 2.155 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.079 2.415 0.566 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.338 5.424 1.127 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.311 4.486 -0.012 1.00 0.00 H new ATOM 661 N TYR A 26 9.867 3.277 4.145 1.00 0.00 N ATOM 662 CA TYR A 26 10.977 3.432 3.216 1.00 0.00 C ATOM 663 C TYR A 26 11.729 2.117 3.055 1.00 0.00 C ATOM 664 O TYR A 26 12.090 1.727 1.945 1.00 0.00 O ATOM 665 CB TYR A 26 11.931 4.525 3.705 1.00 0.00 C ATOM 666 CG TYR A 26 11.654 5.885 3.105 1.00 0.00 C ATOM 667 CD1 TYR A 26 10.449 6.534 3.336 1.00 0.00 C ATOM 668 CD2 TYR A 26 12.598 6.519 2.305 1.00 0.00 C ATOM 669 CE1 TYR A 26 10.191 7.777 2.790 1.00 0.00 C ATOM 670 CE2 TYR A 26 12.348 7.762 1.755 1.00 0.00 C ATOM 671 CZ TYR A 26 11.142 8.386 1.999 1.00 0.00 C ATOM 672 OH TYR A 26 10.890 9.623 1.453 1.00 0.00 O ATOM 0 H TYR A 26 9.955 3.823 5.002 1.00 0.00 H new ATOM 0 HA TYR A 26 10.574 3.723 2.246 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.863 4.596 4.791 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.955 4.235 3.468 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.700 6.059 3.953 1.00 0.00 H new ATOM 0 HD2 TYR A 26 13.542 6.032 2.110 1.00 0.00 H new ATOM 0 HE1 TYR A 26 9.249 8.269 2.982 1.00 0.00 H new ATOM 0 HE2 TYR A 26 13.093 8.242 1.138 1.00 0.00 H new ATOM 0 HH TYR A 26 11.663 9.911 0.924 1.00 0.00 H new ATOM 682 N THR A 27 11.959 1.434 4.172 1.00 0.00 N ATOM 683 CA THR A 27 12.664 0.159 4.159 1.00 0.00 C ATOM 684 C THR A 27 11.913 -0.864 3.314 1.00 0.00 C ATOM 685 O THR A 27 12.522 -1.669 2.609 1.00 0.00 O ATOM 686 CB THR A 27 12.838 -0.365 5.586 1.00 0.00 C ATOM 687 OG1 THR A 27 13.560 0.563 6.376 1.00 0.00 O ATOM 688 CG2 THR A 27 13.566 -1.690 5.654 1.00 0.00 C ATOM 0 H THR A 27 11.666 1.744 5.099 1.00 0.00 H new ATOM 0 HA THR A 27 13.648 0.317 3.717 1.00 0.00 H new ATOM 0 HB THR A 27 11.826 -0.506 5.967 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.009 1.359 6.531 1.00 0.00 H new ATOM 0 HG21 THR A 27 13.655 -2.003 6.694 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.008 -2.441 5.095 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.561 -1.581 5.222 1.00 0.00 H new ATOM 696 N ALA A 28 10.586 -0.828 3.389 1.00 0.00 N ATOM 697 CA ALA A 28 9.752 -1.750 2.631 1.00 0.00 C ATOM 698 C ALA A 28 9.924 -1.538 1.131 1.00 0.00 C ATOM 699 O ALA A 28 9.912 -2.492 0.353 1.00 0.00 O ATOM 700 CB ALA A 28 8.292 -1.586 3.025 1.00 0.00 C ATOM 0 H ALA A 28 10.066 -0.169 3.968 1.00 0.00 H new ATOM 0 HA ALA A 28 10.069 -2.766 2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.680 -2.281 2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.177 -1.794 4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.972 -0.565 2.818 1.00 0.00 H new ATOM 706 N GLY A 29 10.085 -0.281 0.732 1.00 0.00 N ATOM 707 CA GLY A 29 10.258 0.034 -0.675 1.00 0.00 C ATOM 708 C GLY A 29 11.560 -0.506 -1.235 1.00 0.00 C ATOM 709 O GLY A 29 11.604 -0.984 -2.368 1.00 0.00 O ATOM 0 H GLY A 29 10.099 0.525 1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.423 -0.379 -1.242 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.230 1.115 -0.808 1.00 0.00 H new ATOM 713 N ILE A 30 12.621 -0.427 -0.440 1.00 0.00 N ATOM 714 CA ILE A 30 13.930 -0.912 -0.862 1.00 0.00 C ATOM 715 C ILE A 30 13.891 -2.405 -1.165 1.00 0.00 C ATOM 716 O ILE A 30 14.513 -2.872 -2.119 1.00 0.00 O ATOM 717 CB ILE A 30 15.004 -0.641 0.211 1.00 0.00 C ATOM 718 CG1 ILE A 30 14.985 0.831 0.627 1.00 0.00 C ATOM 719 CG2 ILE A 30 16.381 -1.033 -0.304 1.00 0.00 C ATOM 720 CD1 ILE A 30 15.185 1.789 -0.528 1.00 0.00 C ATOM 0 H ILE A 30 12.601 -0.032 0.500 1.00 0.00 H new ATOM 0 HA ILE A 30 14.192 -0.368 -1.770 1.00 0.00 H new ATOM 0 HB ILE A 30 14.779 -1.249 1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 30 14.033 1.051 1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 30 15.766 1.001 1.368 1.00 0.00 H new ATOM 0 HG21 ILE A 30 17.127 -0.835 0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 30 16.388 -2.094 -0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.616 -0.451 -1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 30 15.160 2.814 -0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 30 16.149 1.596 -0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 30 14.390 1.647 -1.260 1.00 0.00 H new ATOM 732 N ASN A 31 13.158 -3.151 -0.346 1.00 0.00 N ATOM 733 CA ASN A 31 13.036 -4.594 -0.526 1.00 0.00 C ATOM 734 C ASN A 31 12.448 -4.920 -1.894 1.00 0.00 C ATOM 735 O ASN A 31 12.955 -5.785 -2.609 1.00 0.00 O ATOM 736 CB ASN A 31 12.165 -5.196 0.578 1.00 0.00 C ATOM 737 CG ASN A 31 12.726 -6.499 1.112 1.00 0.00 C ATOM 738 OD1 ASN A 31 12.185 -7.574 0.850 1.00 0.00 O ATOM 739 ND2 ASN A 31 13.816 -6.410 1.864 1.00 0.00 N ATOM 0 H ASN A 31 12.639 -2.781 0.450 1.00 0.00 H new ATOM 0 HA ASN A 31 14.033 -5.030 -0.466 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.074 -4.481 1.396 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.160 -5.368 0.191 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.239 -7.254 2.251 1.00 0.00 H new ATOM 0 HD22 ASN A 31 14.231 -5.498 2.055 1.00 0.00 H new ATOM 746 N SER A 32 11.376 -4.222 -2.254 1.00 0.00 N ATOM 747 CA SER A 32 10.722 -4.436 -3.539 1.00 0.00 C ATOM 748 C SER A 32 11.682 -4.152 -4.688 1.00 0.00 C ATOM 749 O SER A 32 11.619 -4.792 -5.737 1.00 0.00 O ATOM 750 CB SER A 32 9.483 -3.545 -3.659 1.00 0.00 C ATOM 751 OG SER A 32 8.306 -4.258 -3.320 1.00 0.00 O ATOM 0 H SER A 32 10.942 -3.504 -1.674 1.00 0.00 H new ATOM 0 HA SER A 32 10.415 -5.480 -3.595 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.589 -2.680 -3.004 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.401 -3.166 -4.678 1.00 0.00 H new ATOM 0 HG SER A 32 7.529 -3.666 -3.403 1.00 0.00 H new ATOM 757 N PHE A 33 12.573 -3.187 -4.480 1.00 0.00 N ATOM 758 CA PHE A 33 13.550 -2.816 -5.495 1.00 0.00 C ATOM 759 C PHE A 33 14.495 -3.975 -5.792 1.00 0.00 C ATOM 760 O PHE A 33 14.731 -4.319 -6.951 1.00 0.00 O ATOM 761 CB PHE A 33 14.349 -1.595 -5.038 1.00 0.00 C ATOM 762 CG PHE A 33 13.795 -0.292 -5.539 1.00 0.00 C ATOM 763 CD1 PHE A 33 13.952 0.077 -6.864 1.00 0.00 C ATOM 764 CD2 PHE A 33 13.120 0.562 -4.682 1.00 0.00 C ATOM 765 CE1 PHE A 33 13.443 1.275 -7.328 1.00 0.00 C ATOM 766 CE2 PHE A 33 12.608 1.762 -5.141 1.00 0.00 C ATOM 767 CZ PHE A 33 12.771 2.119 -6.466 1.00 0.00 C ATOM 0 H PHE A 33 12.637 -2.648 -3.616 1.00 0.00 H new ATOM 0 HA PHE A 33 13.011 -2.569 -6.410 1.00 0.00 H new ATOM 0 HB2 PHE A 33 14.374 -1.575 -3.948 1.00 0.00 H new ATOM 0 HB3 PHE A 33 15.379 -1.697 -5.379 1.00 0.00 H new ATOM 0 HD1 PHE A 33 14.478 -0.578 -7.542 1.00 0.00 H new ATOM 0 HD2 PHE A 33 12.992 0.288 -3.645 1.00 0.00 H new ATOM 0 HE1 PHE A 33 13.571 1.551 -8.364 1.00 0.00 H new ATOM 0 HE2 PHE A 33 12.081 2.419 -4.465 1.00 0.00 H new ATOM 0 HZ PHE A 33 12.374 3.056 -6.827 1.00 0.00 H new ATOM 777 N VAL A 34 15.034 -4.575 -4.735 1.00 0.00 N ATOM 778 CA VAL A 34 15.957 -5.695 -4.881 1.00 0.00 C ATOM 779 C VAL A 34 15.338 -6.808 -5.719 1.00 0.00 C ATOM 780 O VAL A 34 15.718 -7.002 -6.868 1.00 0.00 O ATOM 781 CB VAL A 34 16.380 -6.259 -3.510 1.00 0.00 C ATOM 782 CG1 VAL A 34 17.425 -7.353 -3.677 1.00 0.00 C ATOM 783 CG2 VAL A 34 16.904 -5.145 -2.616 1.00 0.00 C ATOM 0 H VAL A 34 14.848 -4.305 -3.769 1.00 0.00 H new ATOM 0 HA VAL A 34 16.843 -5.315 -5.390 1.00 0.00 H new ATOM 0 HB VAL A 34 15.504 -6.698 -3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.709 -7.737 -2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.011 -8.163 -4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.304 -6.944 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.198 -5.560 -1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 34 17.767 -4.676 -3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 34 16.122 -4.400 -2.467 1.00 0.00 H new ATOM 793 N SER A 35 14.399 -7.549 -5.138 1.00 0.00 N ATOM 794 CA SER A 35 13.764 -8.648 -5.832 1.00 0.00 C ATOM 795 C SER A 35 13.296 -8.262 -7.211 1.00 0.00 C ATOM 796 O SER A 35 13.701 -8.886 -8.192 1.00 0.00 O ATOM 797 CB SER A 35 12.585 -9.188 -5.016 1.00 0.00 C ATOM 798 OG SER A 35 11.852 -10.155 -5.747 1.00 0.00 O ATOM 0 H SER A 35 14.065 -7.402 -4.185 1.00 0.00 H new ATOM 0 HA SER A 35 14.517 -9.428 -5.946 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.953 -9.631 -4.091 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.927 -8.365 -4.736 1.00 0.00 H new ATOM 0 HG SER A 35 12.066 -11.050 -5.411 1.00 0.00 H new ATOM 804 N GLY A 36 12.471 -7.237 -7.307 1.00 0.00 N ATOM 805 CA GLY A 36 12.015 -6.812 -8.616 1.00 0.00 C ATOM 806 C GLY A 36 13.112 -7.036 -9.637 1.00 0.00 C ATOM 807 O GLY A 36 12.881 -7.570 -10.722 1.00 0.00 O ATOM 0 H GLY A 36 12.112 -6.697 -6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.122 -7.369 -8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.738 -5.758 -8.591 1.00 0.00 H new ATOM 811 N VAL A 37 14.325 -6.657 -9.240 1.00 0.00 N ATOM 812 CA VAL A 37 15.502 -6.835 -10.051 1.00 0.00 C ATOM 813 C VAL A 37 16.200 -8.169 -9.769 1.00 0.00 C ATOM 814 O VAL A 37 16.211 -9.073 -10.604 1.00 0.00 O ATOM 815 CB VAL A 37 16.504 -5.683 -9.830 1.00 0.00 C ATOM 816 CG1 VAL A 37 17.713 -5.837 -10.742 1.00 0.00 C ATOM 817 CG2 VAL A 37 15.829 -4.339 -10.053 1.00 0.00 C ATOM 0 H VAL A 37 14.508 -6.216 -8.339 1.00 0.00 H new ATOM 0 HA VAL A 37 15.166 -6.834 -11.088 1.00 0.00 H new ATOM 0 HB VAL A 37 16.851 -5.725 -8.798 1.00 0.00 H new ATOM 0 HG11 VAL A 37 18.406 -5.014 -10.569 1.00 0.00 H new ATOM 0 HG12 VAL A 37 18.212 -6.782 -10.528 1.00 0.00 H new ATOM 0 HG13 VAL A 37 17.388 -5.825 -11.782 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.551 -3.538 -9.893 1.00 0.00 H new ATOM 0 HG22 VAL A 37 15.450 -4.287 -11.074 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.001 -4.227 -9.353 1.00 0.00 H new ATOM 827 N ALA A 38 16.821 -8.252 -8.588 1.00 0.00 N ATOM 828 CA ALA A 38 17.577 -9.421 -8.170 1.00 0.00 C ATOM 829 C ALA A 38 16.730 -10.531 -7.569 1.00 0.00 C ATOM 830 O ALA A 38 16.524 -11.586 -8.170 1.00 0.00 O ATOM 831 CB ALA A 38 18.652 -9.012 -7.170 1.00 0.00 C ATOM 0 H ALA A 38 16.809 -7.502 -7.897 1.00 0.00 H new ATOM 0 HA ALA A 38 18.020 -9.828 -9.079 1.00 0.00 H new ATOM 0 HB1 ALA A 38 19.215 -9.893 -6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.328 -8.294 -7.635 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.183 -8.556 -6.298 1.00 0.00 H new ATOM 837 N SER A 39 16.306 -10.284 -6.339 1.00 0.00 N ATOM 838 CA SER A 39 15.544 -11.237 -5.549 1.00 0.00 C ATOM 839 C SER A 39 14.155 -11.554 -6.121 1.00 0.00 C ATOM 840 O SER A 39 13.327 -12.158 -5.440 1.00 0.00 O ATOM 841 CB SER A 39 15.452 -10.706 -4.123 1.00 0.00 C ATOM 842 OG SER A 39 15.444 -11.765 -3.179 1.00 0.00 O ATOM 0 H SER A 39 16.484 -9.404 -5.856 1.00 0.00 H new ATOM 0 HA SER A 39 16.071 -12.191 -5.572 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.295 -10.045 -3.924 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.546 -10.110 -4.012 1.00 0.00 H new ATOM 0 HG SER A 39 15.386 -11.395 -2.273 1.00 0.00 H new ATOM 848 N GLY A 40 13.903 -11.153 -7.367 1.00 0.00 N ATOM 849 CA GLY A 40 12.616 -11.419 -7.982 1.00 0.00 C ATOM 850 C GLY A 40 12.737 -12.263 -9.236 1.00 0.00 C ATOM 851 O GLY A 40 12.045 -12.021 -10.225 1.00 0.00 O ATOM 0 H GLY A 40 14.566 -10.651 -7.958 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.972 -11.929 -7.265 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.132 -10.474 -8.229 1.00 0.00 H new ATOM 855 N ALA A 41 13.620 -13.255 -9.194 1.00 0.00 N ATOM 856 CA ALA A 41 13.831 -14.138 -10.330 1.00 0.00 C ATOM 857 C ALA A 41 14.566 -15.406 -9.914 1.00 0.00 C ATOM 858 O ALA A 41 13.948 -16.441 -9.661 1.00 0.00 O ATOM 859 CB ALA A 41 14.590 -13.411 -11.432 1.00 0.00 C ATOM 0 H ALA A 41 14.201 -13.466 -8.383 1.00 0.00 H new ATOM 0 HA ALA A 41 12.855 -14.433 -10.716 1.00 0.00 H new ATOM 0 HB1 ALA A 41 14.740 -14.085 -12.276 1.00 0.00 H new ATOM 0 HB2 ALA A 41 14.016 -12.544 -11.758 1.00 0.00 H new ATOM 0 HB3 ALA A 41 15.558 -13.084 -11.052 1.00 0.00 H new ATOM 865 N GLY A 42 15.884 -15.315 -9.844 1.00 0.00 N ATOM 866 CA GLY A 42 16.690 -16.459 -9.457 1.00 0.00 C ATOM 867 C GLY A 42 18.145 -16.099 -9.236 1.00 0.00 C ATOM 868 O GLY A 42 18.520 -15.634 -8.160 1.00 0.00 O ATOM 0 H GLY A 42 16.414 -14.468 -10.048 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.284 -16.892 -8.543 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.622 -17.225 -10.230 1.00 0.00 H new ATOM 872 N SER A 43 18.968 -16.315 -10.258 1.00 0.00 N ATOM 873 CA SER A 43 20.392 -16.011 -10.169 1.00 0.00 C ATOM 874 C SER A 43 21.004 -15.833 -11.553 1.00 0.00 C ATOM 875 O SER A 43 21.852 -14.965 -11.764 1.00 0.00 O ATOM 876 CB SER A 43 21.125 -17.118 -9.411 1.00 0.00 C ATOM 877 OG SER A 43 21.251 -16.798 -8.036 1.00 0.00 O ATOM 0 H SER A 43 18.674 -16.699 -11.156 1.00 0.00 H new ATOM 0 HA SER A 43 20.501 -15.073 -9.625 1.00 0.00 H new ATOM 0 HB2 SER A 43 20.584 -18.058 -9.521 1.00 0.00 H new ATOM 0 HB3 SER A 43 22.114 -17.267 -9.845 1.00 0.00 H new ATOM 0 HG SER A 43 20.440 -16.339 -7.731 1.00 0.00 H new ATOM 883 N ILE A 44 20.564 -16.658 -12.490 1.00 0.00 N ATOM 884 CA ILE A 44 21.057 -16.603 -13.859 1.00 0.00 C ATOM 885 C ILE A 44 22.583 -16.654 -13.900 1.00 0.00 C ATOM 886 O ILE A 44 23.243 -15.642 -14.139 1.00 0.00 O ATOM 887 CB ILE A 44 20.562 -15.327 -14.566 1.00 0.00 C ATOM 888 CG1 ILE A 44 19.037 -15.339 -14.673 1.00 0.00 C ATOM 889 CG2 ILE A 44 21.192 -15.188 -15.946 1.00 0.00 C ATOM 890 CD1 ILE A 44 18.338 -14.876 -13.414 1.00 0.00 C ATOM 0 H ILE A 44 19.861 -17.379 -12.326 1.00 0.00 H new ATOM 0 HA ILE A 44 20.666 -17.475 -14.383 1.00 0.00 H new ATOM 0 HB ILE A 44 20.865 -14.467 -13.969 1.00 0.00 H new ATOM 0 HG12 ILE A 44 18.734 -14.700 -15.503 1.00 0.00 H new ATOM 0 HG13 ILE A 44 18.706 -16.350 -14.912 1.00 0.00 H new ATOM 0 HG21 ILE A 44 20.826 -14.279 -16.423 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.276 -15.134 -15.847 1.00 0.00 H new ATOM 0 HG23 ILE A 44 20.926 -16.051 -16.556 1.00 0.00 H new ATOM 0 HD11 ILE A 44 17.259 -14.911 -13.563 1.00 0.00 H new ATOM 0 HD12 ILE A 44 18.611 -15.529 -12.585 1.00 0.00 H new ATOM 0 HD13 ILE A 44 18.640 -13.854 -13.185 1.00 0.00 H new ATOM 902 N GLY A 45 23.137 -17.839 -13.664 1.00 0.00 N ATOM 903 CA GLY A 45 24.579 -18.000 -13.678 1.00 0.00 C ATOM 904 C GLY A 45 25.020 -19.199 -14.495 1.00 0.00 C ATOM 905 O GLY A 45 25.634 -20.127 -13.967 1.00 0.00 O ATOM 0 H GLY A 45 22.613 -18.691 -13.463 1.00 0.00 H new ATOM 0 HA2 GLY A 45 25.038 -17.099 -14.084 1.00 0.00 H new ATOM 0 HA3 GLY A 45 24.939 -18.109 -12.655 1.00 0.00 H new ATOM 909 N ARG A 46 24.706 -19.181 -15.786 1.00 0.00 N ATOM 910 CA ARG A 46 25.074 -20.275 -16.678 1.00 0.00 C ATOM 911 C ARG A 46 24.433 -21.584 -16.227 1.00 0.00 C ATOM 912 O ARG A 46 23.335 -21.906 -16.727 1.00 0.00 O ATOM 913 CB ARG A 46 26.596 -20.430 -16.729 1.00 0.00 C ATOM 914 CG ARG A 46 27.307 -19.237 -17.349 1.00 0.00 C ATOM 915 CD ARG A 46 28.441 -18.740 -16.465 1.00 0.00 C ATOM 916 NE ARG A 46 29.178 -17.642 -17.086 1.00 0.00 N ATOM 917 CZ ARG A 46 29.962 -16.802 -16.413 1.00 0.00 C ATOM 918 NH1 ARG A 46 30.112 -16.931 -15.101 1.00 0.00 N ATOM 919 NH2 ARG A 46 30.596 -15.830 -17.054 1.00 0.00 N ATOM 920 OXT ARG A 46 25.035 -22.275 -15.377 1.00 0.00 O ATOM 0 H ARG A 46 24.198 -18.421 -16.238 1.00 0.00 H new ATOM 0 HA ARG A 46 24.706 -20.036 -17.676 1.00 0.00 H new ATOM 0 HB2 ARG A 46 26.972 -20.581 -15.717 1.00 0.00 H new ATOM 0 HB3 ARG A 46 26.843 -21.326 -17.298 1.00 0.00 H new ATOM 0 HG2 ARG A 46 27.702 -19.515 -18.326 1.00 0.00 H new ATOM 0 HG3 ARG A 46 26.592 -18.431 -17.512 1.00 0.00 H new ATOM 0 HD2 ARG A 46 28.037 -18.410 -15.508 1.00 0.00 H new ATOM 0 HD3 ARG A 46 29.125 -19.563 -16.255 1.00 0.00 H new ATOM 0 HE ARG A 46 29.087 -17.511 -18.093 1.00 0.00 H new ATOM 0 HH11 ARG A 46 29.626 -17.676 -14.603 1.00 0.00 H new ATOM 0 HH12 ARG A 46 30.714 -16.285 -14.591 1.00 0.00 H new ATOM 0 HH21 ARG A 46 30.483 -15.726 -18.062 1.00 0.00 H new ATOM 0 HH22 ARG A 46 31.197 -15.186 -16.539 1.00 0.00 H new TER 934 ARG A 46