USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 THR OG1 : rot 180:sc= -0.433 USER MOD Set 1.2: A 72 LYS NZ :NH3+ -170:sc= 1.29 (180deg=0) USER MOD Set 2.1: A 39 MET CE :methyl -149:sc= -0.481 (180deg=-1.92) USER MOD Set 2.2: A 69 TYR OH : rot 55:sc= 0.982 USER MOD Set 3.1: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 35 TYR OH : rot -171:sc= 1.25 USER MOD Set 4.2: A 59 THR OG1 : rot 180:sc= 0.00475 USER MOD Set 4.3: A 63 GLN : amide:sc= 1.06 K(o=2.3,f=-2.3) USER MOD Set 5.1: A 12 ASN :FLIP amide:sc= 0.337 F(o=-1.9!,f=0.7) USER MOD Set 5.2: A 24 SER OG : rot 53:sc= 0.367 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.0792 (180deg=-0.524) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0689) USER MOD Single : A 5 LYS NZ :NH3+ 158:sc= 1.06 (180deg=0.505) USER MOD Single : A 7 ASN : amide:sc= -0.0727 K(o=-0.073,f=-4!) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -156:sc= 1.22 USER MOD Single : A 17 ASN : amide:sc= 1.07 K(o=1.1,f=-0.099) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -89:sc= 1.3 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.596 X(o=-0.6,f=-0.37) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc=-0.00549 (180deg=-0.114) USER MOD Single : A 49 LYS NZ :NH3+ -166:sc= -0.0705 (180deg=-0.369) USER MOD Single : A 50 TYR OH : rot 155:sc= 0.00291 USER MOD Single : A 52 SER OG : rot 51:sc= 1.26 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc=-0.00444 K(o=-0.0044,f=-2.7!) USER MOD Single : A 70 GLN : amide:sc= 0.874 K(o=0.87,f=-1.6) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 80 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=-0.019) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 84 HIS : no HE2:sc= 1.1 K(o=1.1,f=-5.3!) USER MOD Single : A 85 HIS : no HD1:sc= -0.0416 X(o=-0.042,f=-0.09) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.886 9.557 -5.861 1.00 0.00 N ATOM 2 CA MET A 1 28.615 8.154 -6.245 1.00 0.00 C ATOM 3 C MET A 1 27.118 7.867 -6.229 1.00 0.00 C ATOM 4 O MET A 1 26.513 7.653 -7.280 1.00 0.00 O ATOM 5 CB MET A 1 29.346 7.186 -5.310 1.00 0.00 C ATOM 6 CG MET A 1 30.861 7.246 -5.433 1.00 0.00 C ATOM 7 SD MET A 1 31.702 6.065 -4.357 1.00 0.00 S ATOM 8 CE MET A 1 31.207 6.660 -2.741 1.00 0.00 C ATOM 0 H1 MET A 1 29.893 9.769 -6.009 1.00 0.00 H new ATOM 0 H2 MET A 1 28.309 10.195 -6.446 1.00 0.00 H new ATOM 0 H3 MET A 1 28.647 9.695 -4.858 1.00 0.00 H new ATOM 0 HA MET A 1 28.986 8.007 -7.259 1.00 0.00 H new ATOM 0 HB2 MET A 1 29.065 7.407 -4.280 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.013 6.170 -5.521 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.144 7.052 -6.468 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.200 8.254 -5.193 1.00 0.00 H new ATOM 0 HE1 MET A 1 31.889 6.270 -1.985 1.00 0.00 H new ATOM 0 HE2 MET A 1 31.238 7.750 -2.729 1.00 0.00 H new ATOM 0 HE3 MET A 1 30.193 6.323 -2.524 1.00 0.00 H new ATOM 20 N ASP A 2 26.515 7.884 -5.042 1.00 0.00 N ATOM 21 CA ASP A 2 25.096 7.567 -4.901 1.00 0.00 C ATOM 22 C ASP A 2 24.517 8.218 -3.648 1.00 0.00 C ATOM 23 O ASP A 2 25.236 8.464 -2.681 1.00 0.00 O ATOM 24 CB ASP A 2 24.888 6.048 -4.851 1.00 0.00 C ATOM 25 CG ASP A 2 23.436 5.665 -4.637 1.00 0.00 C ATOM 26 OD1 ASP A 2 22.573 6.112 -5.426 1.00 0.00 O ATOM 27 OD2 ASP A 2 23.149 4.919 -3.681 1.00 0.00 O ATOM 0 H ASP A 2 26.985 8.113 -4.167 1.00 0.00 H new ATOM 0 HA ASP A 2 24.572 7.965 -5.770 1.00 0.00 H new ATOM 0 HB2 ASP A 2 25.243 5.605 -5.782 1.00 0.00 H new ATOM 0 HB3 ASP A 2 25.493 5.628 -4.047 1.00 0.00 H new ATOM 32 N PHE A 3 23.220 8.502 -3.681 1.00 0.00 N ATOM 33 CA PHE A 3 22.538 9.142 -2.561 1.00 0.00 C ATOM 34 C PHE A 3 22.125 8.109 -1.514 1.00 0.00 C ATOM 35 O PHE A 3 22.118 8.391 -0.315 1.00 0.00 O ATOM 36 CB PHE A 3 21.308 9.907 -3.066 1.00 0.00 C ATOM 37 CG PHE A 3 20.520 10.590 -1.980 1.00 0.00 C ATOM 38 CD1 PHE A 3 20.966 11.779 -1.422 1.00 0.00 C ATOM 39 CD2 PHE A 3 19.332 10.044 -1.519 1.00 0.00 C ATOM 40 CE1 PHE A 3 20.243 12.409 -0.429 1.00 0.00 C ATOM 41 CE2 PHE A 3 18.604 10.669 -0.525 1.00 0.00 C ATOM 42 CZ PHE A 3 19.061 11.854 0.022 1.00 0.00 C ATOM 0 H PHE A 3 22.616 8.298 -4.477 1.00 0.00 H new ATOM 0 HA PHE A 3 23.227 9.844 -2.092 1.00 0.00 H new ATOM 0 HB2 PHE A 3 21.631 10.654 -3.791 1.00 0.00 H new ATOM 0 HB3 PHE A 3 20.653 9.213 -3.594 1.00 0.00 H new ATOM 0 HD1 PHE A 3 21.890 12.217 -1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 3 18.971 9.118 -1.942 1.00 0.00 H new ATOM 0 HE1 PHE A 3 20.601 13.335 -0.005 1.00 0.00 H new ATOM 0 HE2 PHE A 3 17.680 10.233 -0.176 1.00 0.00 H new ATOM 0 HZ PHE A 3 18.495 12.345 0.800 1.00 0.00 H new ATOM 52 N GLY A 4 21.786 6.913 -1.971 1.00 0.00 N ATOM 53 CA GLY A 4 21.335 5.879 -1.067 1.00 0.00 C ATOM 54 C GLY A 4 19.985 5.321 -1.465 1.00 0.00 C ATOM 55 O GLY A 4 19.824 4.797 -2.568 1.00 0.00 O ATOM 0 H GLY A 4 21.816 6.641 -2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.068 5.072 -1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.276 6.283 -0.056 1.00 0.00 H new ATOM 59 N LYS A 5 19.011 5.438 -0.574 1.00 0.00 N ATOM 60 CA LYS A 5 17.677 4.902 -0.821 1.00 0.00 C ATOM 61 C LYS A 5 16.631 5.973 -0.515 1.00 0.00 C ATOM 62 O LYS A 5 16.691 6.609 0.536 1.00 0.00 O ATOM 63 CB LYS A 5 17.425 3.681 0.068 1.00 0.00 C ATOM 64 CG LYS A 5 18.630 2.770 0.246 1.00 0.00 C ATOM 65 CD LYS A 5 18.373 1.721 1.315 1.00 0.00 C ATOM 66 CE LYS A 5 19.662 1.047 1.762 1.00 0.00 C ATOM 67 NZ LYS A 5 20.632 2.024 2.334 1.00 0.00 N ATOM 0 H LYS A 5 19.118 5.900 0.329 1.00 0.00 H new ATOM 0 HA LYS A 5 17.605 4.604 -1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 5 17.097 4.024 1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.606 3.100 -0.357 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.862 2.280 -0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 5 19.502 3.365 0.519 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.889 2.187 2.173 1.00 0.00 H new ATOM 0 HD3 LYS A 5 17.684 0.970 0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 5 19.433 0.284 2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 5 20.118 0.537 0.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 21.306 1.525 2.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 21.148 2.493 1.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 20.119 2.737 2.891 1.00 0.00 H new ATOM 81 N PRO A 6 15.676 6.200 -1.428 1.00 0.00 N ATOM 82 CA PRO A 6 14.607 7.183 -1.237 1.00 0.00 C ATOM 83 C PRO A 6 13.493 6.655 -0.333 1.00 0.00 C ATOM 84 O PRO A 6 12.870 5.637 -0.637 1.00 0.00 O ATOM 85 CB PRO A 6 14.067 7.424 -2.659 1.00 0.00 C ATOM 86 CG PRO A 6 14.911 6.588 -3.574 1.00 0.00 C ATOM 87 CD PRO A 6 15.554 5.531 -2.722 1.00 0.00 C ATOM 0 HA PRO A 6 14.974 8.087 -0.751 1.00 0.00 H new ATOM 0 HB2 PRO A 6 13.017 7.140 -2.730 1.00 0.00 H new ATOM 0 HB3 PRO A 6 14.131 8.479 -2.926 1.00 0.00 H new ATOM 0 HG2 PRO A 6 14.302 6.136 -4.357 1.00 0.00 H new ATOM 0 HG3 PRO A 6 15.666 7.198 -4.069 1.00 0.00 H new ATOM 0 HD2 PRO A 6 14.940 4.632 -2.658 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.524 5.227 -3.115 1.00 0.00 H new ATOM 95 N ASN A 7 13.235 7.358 0.768 1.00 0.00 N ATOM 96 CA ASN A 7 12.247 6.909 1.750 1.00 0.00 C ATOM 97 C ASN A 7 10.811 7.156 1.267 1.00 0.00 C ATOM 98 O ASN A 7 10.120 8.071 1.724 1.00 0.00 O ATOM 99 CB ASN A 7 12.483 7.563 3.128 1.00 0.00 C ATOM 100 CG ASN A 7 12.335 9.080 3.139 1.00 0.00 C ATOM 101 OD1 ASN A 7 12.653 9.766 2.167 1.00 0.00 O ATOM 102 ND2 ASN A 7 11.844 9.610 4.249 1.00 0.00 N ATOM 0 H ASN A 7 13.694 8.238 1.003 1.00 0.00 H new ATOM 0 HA ASN A 7 12.377 5.833 1.862 1.00 0.00 H new ATOM 0 HB2 ASN A 7 11.781 7.136 3.844 1.00 0.00 H new ATOM 0 HB3 ASN A 7 13.485 7.305 3.472 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.718 10.620 4.320 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.592 9.008 5.033 1.00 0.00 H new ATOM 109 N GLN A 8 10.374 6.337 0.323 1.00 0.00 N ATOM 110 CA GLN A 8 9.017 6.416 -0.188 1.00 0.00 C ATOM 111 C GLN A 8 8.332 5.065 -0.043 1.00 0.00 C ATOM 112 O GLN A 8 8.757 4.077 -0.641 1.00 0.00 O ATOM 113 CB GLN A 8 9.006 6.847 -1.656 1.00 0.00 C ATOM 114 CG GLN A 8 9.766 8.135 -1.926 1.00 0.00 C ATOM 115 CD GLN A 8 9.614 8.612 -3.355 1.00 0.00 C ATOM 116 OE1 GLN A 8 9.405 7.818 -4.272 1.00 0.00 O ATOM 117 NE2 GLN A 8 9.735 9.914 -3.559 1.00 0.00 N ATOM 0 H GLN A 8 10.943 5.607 -0.106 1.00 0.00 H new ATOM 0 HA GLN A 8 8.477 7.164 0.392 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.436 6.049 -2.262 1.00 0.00 H new ATOM 0 HB3 GLN A 8 7.973 6.972 -1.980 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.411 8.911 -1.248 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.823 7.981 -1.709 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.908 10.540 -2.772 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.655 10.292 -4.503 1.00 0.00 H new ATOM 126 N VAL A 9 7.275 5.024 0.747 1.00 0.00 N ATOM 127 CA VAL A 9 6.557 3.784 0.983 1.00 0.00 C ATOM 128 C VAL A 9 5.506 3.576 -0.098 1.00 0.00 C ATOM 129 O VAL A 9 4.608 4.399 -0.279 1.00 0.00 O ATOM 130 CB VAL A 9 5.893 3.775 2.377 1.00 0.00 C ATOM 131 CG1 VAL A 9 5.130 2.479 2.614 1.00 0.00 C ATOM 132 CG2 VAL A 9 6.937 3.982 3.464 1.00 0.00 C ATOM 0 H VAL A 9 6.894 5.834 1.236 1.00 0.00 H new ATOM 0 HA VAL A 9 7.277 2.966 0.948 1.00 0.00 H new ATOM 0 HB VAL A 9 5.179 4.598 2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.673 2.501 3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.353 2.371 1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.817 1.635 2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.452 3.973 4.440 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.674 3.181 3.418 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.433 4.941 3.314 1.00 0.00 H new ATOM 142 N THR A 10 5.640 2.482 -0.823 1.00 0.00 N ATOM 143 CA THR A 10 4.770 2.191 -1.945 1.00 0.00 C ATOM 144 C THR A 10 3.544 1.407 -1.483 1.00 0.00 C ATOM 145 O THR A 10 3.608 0.195 -1.279 1.00 0.00 O ATOM 146 CB THR A 10 5.527 1.388 -3.019 1.00 0.00 C ATOM 147 OG1 THR A 10 6.786 2.020 -3.299 1.00 0.00 O ATOM 148 CG2 THR A 10 4.718 1.283 -4.302 1.00 0.00 C ATOM 0 H THR A 10 6.352 1.773 -0.651 1.00 0.00 H new ATOM 0 HA THR A 10 4.442 3.137 -2.375 1.00 0.00 H new ATOM 0 HB THR A 10 5.693 0.382 -2.634 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.266 1.506 -3.981 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.279 0.711 -5.040 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.773 0.781 -4.096 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.521 2.282 -4.691 1.00 0.00 H new ATOM 156 N VAL A 11 2.440 2.111 -1.290 1.00 0.00 N ATOM 157 CA VAL A 11 1.197 1.485 -0.875 1.00 0.00 C ATOM 158 C VAL A 11 0.385 1.090 -2.101 1.00 0.00 C ATOM 159 O VAL A 11 0.001 1.940 -2.905 1.00 0.00 O ATOM 160 CB VAL A 11 0.358 2.424 0.020 1.00 0.00 C ATOM 161 CG1 VAL A 11 -0.921 1.739 0.478 1.00 0.00 C ATOM 162 CG2 VAL A 11 1.173 2.892 1.218 1.00 0.00 C ATOM 0 H VAL A 11 2.381 3.122 -1.415 1.00 0.00 H new ATOM 0 HA VAL A 11 1.448 0.598 -0.293 1.00 0.00 H new ATOM 0 HB VAL A 11 0.082 3.297 -0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.494 2.421 1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.516 1.461 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.671 0.844 1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.565 3.552 1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.484 2.029 1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.055 3.431 0.870 1.00 0.00 H new ATOM 172 N ASN A 12 0.158 -0.202 -2.265 1.00 0.00 N ATOM 173 CA ASN A 12 -0.585 -0.709 -3.412 1.00 0.00 C ATOM 174 C ASN A 12 -1.785 -1.518 -2.947 1.00 0.00 C ATOM 175 O ASN A 12 -1.687 -2.304 -2.006 1.00 0.00 O ATOM 176 CB ASN A 12 0.322 -1.569 -4.303 1.00 0.00 C ATOM 177 CG ASN A 12 1.161 -0.757 -5.285 1.00 0.00 C ATOM 178 OD1 ASN A 12 1.391 0.512 -4.984 1.00 0.00 O flip ATOM 179 ND2 ASN A 12 1.582 -1.269 -6.324 1.00 0.00 N flip ATOM 0 H ASN A 12 0.477 -0.923 -1.618 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.940 0.140 -3.996 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.987 -2.157 -3.670 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.294 -2.274 -4.861 1.00 0.00 H new ATOM 0 HD21 ASN A 12 1.386 -2.250 -6.525 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.126 -0.712 -6.983 1.00 0.00 H new ATOM 186 N TYR A 13 -2.918 -1.311 -3.600 1.00 0.00 N ATOM 187 CA TYR A 13 -4.143 -2.019 -3.255 1.00 0.00 C ATOM 188 C TYR A 13 -4.436 -3.084 -4.302 1.00 0.00 C ATOM 189 O TYR A 13 -4.698 -2.765 -5.462 1.00 0.00 O ATOM 190 CB TYR A 13 -5.321 -1.043 -3.164 1.00 0.00 C ATOM 191 CG TYR A 13 -5.134 0.065 -2.149 1.00 0.00 C ATOM 192 CD1 TYR A 13 -4.478 1.242 -2.490 1.00 0.00 C ATOM 193 CD2 TYR A 13 -5.623 -0.059 -0.855 1.00 0.00 C ATOM 194 CE1 TYR A 13 -4.313 2.261 -1.572 1.00 0.00 C ATOM 195 CE2 TYR A 13 -5.464 0.958 0.069 1.00 0.00 C ATOM 196 CZ TYR A 13 -4.809 2.115 -0.294 1.00 0.00 C ATOM 197 OH TYR A 13 -4.651 3.132 0.618 1.00 0.00 O ATOM 0 H TYR A 13 -3.016 -0.656 -4.375 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.008 -2.494 -2.283 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.485 -0.597 -4.145 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.222 -1.602 -2.913 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.090 1.362 -3.491 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.136 -0.964 -0.565 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.798 3.167 -1.854 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.852 0.846 1.071 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.697 2.767 1.526 1.00 0.00 H new ATOM 207 N LEU A 14 -4.382 -4.344 -3.898 1.00 0.00 N ATOM 208 CA LEU A 14 -4.572 -5.444 -4.830 1.00 0.00 C ATOM 209 C LEU A 14 -6.000 -5.975 -4.780 1.00 0.00 C ATOM 210 O LEU A 14 -6.697 -5.824 -3.776 1.00 0.00 O ATOM 211 CB LEU A 14 -3.579 -6.571 -4.539 1.00 0.00 C ATOM 212 CG LEU A 14 -2.104 -6.163 -4.580 1.00 0.00 C ATOM 213 CD1 LEU A 14 -1.207 -7.376 -4.396 1.00 0.00 C ATOM 214 CD2 LEU A 14 -1.776 -5.453 -5.885 1.00 0.00 C ATOM 0 H LEU A 14 -4.209 -4.629 -2.934 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.389 -5.062 -5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.799 -6.983 -3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.739 -7.371 -5.262 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.921 -5.471 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.163 -7.065 -4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.417 -7.841 -3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.397 -8.093 -5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.723 -5.172 -5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.979 -6.120 -6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.391 -4.557 -5.976 1.00 0.00 H new ATOM 226 N ASP A 15 -6.412 -6.594 -5.876 1.00 0.00 N ATOM 227 CA ASP A 15 -7.757 -7.150 -6.022 1.00 0.00 C ATOM 228 C ASP A 15 -7.810 -8.584 -5.508 1.00 0.00 C ATOM 229 O ASP A 15 -8.795 -8.995 -4.900 1.00 0.00 O ATOM 230 CB ASP A 15 -8.169 -7.125 -7.501 1.00 0.00 C ATOM 231 CG ASP A 15 -7.329 -8.056 -8.366 1.00 0.00 C ATOM 232 OD1 ASP A 15 -6.095 -8.124 -8.159 1.00 0.00 O ATOM 233 OD2 ASP A 15 -7.892 -8.742 -9.239 1.00 0.00 O ATOM 0 H ASP A 15 -5.822 -6.728 -6.697 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.445 -6.542 -5.435 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.218 -7.407 -7.585 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.081 -6.107 -7.880 1.00 0.00 H new ATOM 238 N GLU A 16 -6.742 -9.324 -5.816 1.00 0.00 N ATOM 239 CA GLU A 16 -6.542 -10.724 -5.429 1.00 0.00 C ATOM 240 C GLU A 16 -5.587 -11.342 -6.441 1.00 0.00 C ATOM 241 O GLU A 16 -4.795 -12.232 -6.128 1.00 0.00 O ATOM 242 CB GLU A 16 -7.842 -11.541 -5.429 1.00 0.00 C ATOM 243 CG GLU A 16 -7.724 -12.851 -4.666 1.00 0.00 C ATOM 244 CD GLU A 16 -8.814 -13.842 -5.014 1.00 0.00 C ATOM 245 OE1 GLU A 16 -9.995 -13.578 -4.715 1.00 0.00 O ATOM 246 OE2 GLU A 16 -8.487 -14.906 -5.579 1.00 0.00 O ATOM 0 H GLU A 16 -5.964 -8.952 -6.361 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.152 -10.742 -4.411 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.640 -10.942 -4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.131 -11.752 -6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.753 -13.300 -4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.756 -12.645 -3.596 1.00 0.00 H new ATOM 253 N ASN A 17 -5.666 -10.824 -7.662 1.00 0.00 N ATOM 254 CA ASN A 17 -4.887 -11.322 -8.788 1.00 0.00 C ATOM 255 C ASN A 17 -3.662 -10.443 -9.006 1.00 0.00 C ATOM 256 O ASN A 17 -3.033 -10.493 -10.063 1.00 0.00 O ATOM 257 CB ASN A 17 -5.735 -11.321 -10.066 1.00 0.00 C ATOM 258 CG ASN A 17 -7.029 -12.101 -9.928 1.00 0.00 C ATOM 259 OD1 ASN A 17 -7.069 -13.305 -10.172 1.00 0.00 O ATOM 260 ND2 ASN A 17 -8.105 -11.417 -9.559 1.00 0.00 N ATOM 0 H ASN A 17 -6.276 -10.042 -7.899 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.573 -12.341 -8.562 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.967 -10.292 -10.339 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.150 -11.743 -10.883 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.004 -11.890 -9.470 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.033 -10.418 -9.365 1.00 0.00 H new ATOM 267 N ASN A 18 -3.350 -9.632 -7.995 1.00 0.00 N ATOM 268 CA ASN A 18 -2.233 -8.683 -8.053 1.00 0.00 C ATOM 269 C ASN A 18 -2.531 -7.546 -9.019 1.00 0.00 C ATOM 270 O ASN A 18 -1.621 -6.902 -9.544 1.00 0.00 O ATOM 271 CB ASN A 18 -0.914 -9.371 -8.428 1.00 0.00 C ATOM 272 CG ASN A 18 -0.186 -9.920 -7.218 1.00 0.00 C ATOM 273 OD1 ASN A 18 0.622 -9.226 -6.600 1.00 0.00 O ATOM 274 ND2 ASN A 18 -0.450 -11.170 -6.879 1.00 0.00 N ATOM 0 H ASN A 18 -3.862 -9.613 -7.113 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.117 -8.268 -7.052 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.116 -10.183 -9.126 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.270 -8.659 -8.944 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.023 -11.592 -6.080 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.126 -11.712 -7.417 1.00 0.00 H new ATOM 281 N THR A 19 -3.810 -7.289 -9.236 1.00 0.00 N ATOM 282 CA THR A 19 -4.237 -6.162 -10.035 1.00 0.00 C ATOM 283 C THR A 19 -4.424 -4.955 -9.131 1.00 0.00 C ATOM 284 O THR A 19 -5.252 -4.978 -8.217 1.00 0.00 O ATOM 285 CB THR A 19 -5.564 -6.458 -10.760 1.00 0.00 C ATOM 286 OG1 THR A 19 -5.535 -7.780 -11.315 1.00 0.00 O ATOM 287 CG2 THR A 19 -5.819 -5.442 -11.864 1.00 0.00 C ATOM 0 H THR A 19 -4.574 -7.854 -8.864 1.00 0.00 H new ATOM 0 HA THR A 19 -3.472 -5.965 -10.786 1.00 0.00 H new ATOM 0 HB THR A 19 -6.373 -6.388 -10.033 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.382 -7.961 -11.773 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.762 -5.673 -12.360 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.871 -4.442 -11.433 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.007 -5.482 -12.590 1.00 0.00 H new ATOM 295 N SER A 20 -3.633 -3.920 -9.355 1.00 0.00 N ATOM 296 CA SER A 20 -3.725 -2.713 -8.560 1.00 0.00 C ATOM 297 C SER A 20 -5.023 -1.978 -8.889 1.00 0.00 C ATOM 298 O SER A 20 -5.108 -1.250 -9.881 1.00 0.00 O ATOM 299 CB SER A 20 -2.509 -1.820 -8.821 1.00 0.00 C ATOM 300 OG SER A 20 -2.269 -0.936 -7.739 1.00 0.00 O ATOM 0 H SER A 20 -2.919 -3.894 -10.083 1.00 0.00 H new ATOM 0 HA SER A 20 -3.734 -2.974 -7.502 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.629 -2.442 -8.986 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.668 -1.245 -9.733 1.00 0.00 H new ATOM 0 HG SER A 20 -2.769 -0.105 -7.879 1.00 0.00 H new ATOM 306 N ILE A 21 -6.039 -2.198 -8.061 1.00 0.00 N ATOM 307 CA ILE A 21 -7.353 -1.593 -8.265 1.00 0.00 C ATOM 308 C ILE A 21 -7.302 -0.093 -8.011 1.00 0.00 C ATOM 309 O ILE A 21 -8.153 0.660 -8.483 1.00 0.00 O ATOM 310 CB ILE A 21 -8.424 -2.232 -7.356 1.00 0.00 C ATOM 311 CG1 ILE A 21 -7.959 -2.232 -5.893 1.00 0.00 C ATOM 312 CG2 ILE A 21 -8.739 -3.645 -7.829 1.00 0.00 C ATOM 313 CD1 ILE A 21 -8.960 -2.836 -4.933 1.00 0.00 C ATOM 0 H ILE A 21 -5.978 -2.795 -7.236 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.630 -1.775 -9.303 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.336 -1.639 -7.418 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.021 -2.783 -5.820 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.751 -1.207 -5.588 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.496 -4.086 -7.180 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -9.113 -3.611 -8.852 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.834 -4.251 -7.794 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.560 -2.800 -3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.891 -2.271 -4.976 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.151 -3.873 -5.211 1.00 0.00 H new ATOM 325 N ALA A 22 -6.298 0.323 -7.261 1.00 0.00 N ATOM 326 CA ALA A 22 -6.055 1.729 -7.007 1.00 0.00 C ATOM 327 C ALA A 22 -4.631 2.072 -7.422 1.00 0.00 C ATOM 328 O ALA A 22 -3.753 1.210 -7.370 1.00 0.00 O ATOM 329 CB ALA A 22 -6.282 2.051 -5.536 1.00 0.00 C ATOM 0 H ALA A 22 -5.630 -0.304 -6.812 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.752 2.330 -7.591 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.095 3.111 -5.362 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.311 1.815 -5.267 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.602 1.458 -4.925 1.00 0.00 H new ATOM 335 N PRO A 23 -4.388 3.316 -7.864 1.00 0.00 N ATOM 336 CA PRO A 23 -3.051 3.763 -8.278 1.00 0.00 C ATOM 337 C PRO A 23 -2.021 3.627 -7.160 1.00 0.00 C ATOM 338 O PRO A 23 -2.368 3.630 -5.977 1.00 0.00 O ATOM 339 CB PRO A 23 -3.253 5.240 -8.642 1.00 0.00 C ATOM 340 CG PRO A 23 -4.546 5.627 -8.009 1.00 0.00 C ATOM 341 CD PRO A 23 -5.388 4.385 -8.005 1.00 0.00 C ATOM 0 HA PRO A 23 -2.663 3.161 -9.100 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.433 5.853 -8.268 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.287 5.378 -9.723 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.390 5.997 -6.996 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.031 6.427 -8.569 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.102 4.383 -7.181 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.963 4.283 -8.925 1.00 0.00 H new ATOM 349 N SER A 24 -0.757 3.501 -7.545 1.00 0.00 N ATOM 350 CA SER A 24 0.328 3.349 -6.589 1.00 0.00 C ATOM 351 C SER A 24 0.428 4.582 -5.693 1.00 0.00 C ATOM 352 O SER A 24 0.725 5.684 -6.160 1.00 0.00 O ATOM 353 CB SER A 24 1.650 3.117 -7.330 1.00 0.00 C ATOM 354 OG SER A 24 2.705 2.812 -6.433 1.00 0.00 O ATOM 0 H SER A 24 -0.459 3.501 -8.520 1.00 0.00 H new ATOM 0 HA SER A 24 0.122 2.484 -5.959 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.530 2.301 -8.042 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.906 4.007 -7.905 1.00 0.00 H new ATOM 0 HG SER A 24 2.436 2.071 -5.851 1.00 0.00 H new ATOM 360 N LEU A 25 0.156 4.391 -4.409 1.00 0.00 N ATOM 361 CA LEU A 25 0.210 5.475 -3.443 1.00 0.00 C ATOM 362 C LEU A 25 1.605 5.572 -2.840 1.00 0.00 C ATOM 363 O LEU A 25 2.056 4.663 -2.143 1.00 0.00 O ATOM 364 CB LEU A 25 -0.833 5.254 -2.342 1.00 0.00 C ATOM 365 CG LEU A 25 -0.887 6.336 -1.258 1.00 0.00 C ATOM 366 CD1 LEU A 25 -1.266 7.680 -1.860 1.00 0.00 C ATOM 367 CD2 LEU A 25 -1.868 5.943 -0.165 1.00 0.00 C ATOM 0 H LEU A 25 -0.106 3.488 -4.012 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.015 6.412 -3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.816 5.180 -2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.634 4.295 -1.864 1.00 0.00 H new ATOM 0 HG LEU A 25 0.104 6.429 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.299 8.434 -1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.525 7.966 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.246 7.604 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.895 6.722 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.862 5.822 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.551 5.003 0.287 1.00 0.00 H new ATOM 379 N TYR A 26 2.288 6.669 -3.117 1.00 0.00 N ATOM 380 CA TYR A 26 3.632 6.874 -2.609 1.00 0.00 C ATOM 381 C TYR A 26 3.596 7.680 -1.322 1.00 0.00 C ATOM 382 O TYR A 26 3.408 8.898 -1.338 1.00 0.00 O ATOM 383 CB TYR A 26 4.503 7.578 -3.648 1.00 0.00 C ATOM 384 CG TYR A 26 4.710 6.771 -4.907 1.00 0.00 C ATOM 385 CD1 TYR A 26 5.641 5.741 -4.946 1.00 0.00 C ATOM 386 CD2 TYR A 26 3.974 7.035 -6.054 1.00 0.00 C ATOM 387 CE1 TYR A 26 5.835 4.999 -6.095 1.00 0.00 C ATOM 388 CE2 TYR A 26 4.162 6.298 -7.206 1.00 0.00 C ATOM 389 CZ TYR A 26 5.092 5.280 -7.222 1.00 0.00 C ATOM 390 OH TYR A 26 5.280 4.545 -8.368 1.00 0.00 O ATOM 0 H TYR A 26 1.933 7.433 -3.692 1.00 0.00 H new ATOM 0 HA TYR A 26 4.068 5.897 -2.399 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.044 8.532 -3.909 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.474 7.801 -3.205 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.223 5.517 -4.064 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.243 7.830 -6.045 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.565 4.203 -6.110 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.583 6.518 -8.091 1.00 0.00 H new ATOM 0 HH TYR A 26 4.677 4.871 -9.068 1.00 0.00 H new ATOM 400 N LEU A 27 3.755 6.986 -0.213 1.00 0.00 N ATOM 401 CA LEU A 27 3.765 7.610 1.096 1.00 0.00 C ATOM 402 C LEU A 27 5.178 8.068 1.440 1.00 0.00 C ATOM 403 O LEU A 27 6.042 7.259 1.777 1.00 0.00 O ATOM 404 CB LEU A 27 3.245 6.618 2.141 1.00 0.00 C ATOM 405 CG LEU A 27 3.243 7.107 3.593 1.00 0.00 C ATOM 406 CD1 LEU A 27 2.281 8.270 3.780 1.00 0.00 C ATOM 407 CD2 LEU A 27 2.880 5.966 4.528 1.00 0.00 C ATOM 0 H LEU A 27 3.881 5.974 -0.193 1.00 0.00 H new ATOM 0 HA LEU A 27 3.113 8.483 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.226 6.339 1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.849 5.713 2.085 1.00 0.00 H new ATOM 0 HG LEU A 27 4.246 7.459 3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.301 8.595 4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.580 9.097 3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.271 7.953 3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.882 6.325 5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.888 5.591 4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.609 5.163 4.422 1.00 0.00 H new ATOM 419 N SER A 28 5.415 9.363 1.321 1.00 0.00 N ATOM 420 CA SER A 28 6.726 9.927 1.595 1.00 0.00 C ATOM 421 C SER A 28 6.688 10.783 2.853 1.00 0.00 C ATOM 422 O SER A 28 5.773 11.590 3.037 1.00 0.00 O ATOM 423 CB SER A 28 7.201 10.749 0.392 1.00 0.00 C ATOM 424 OG SER A 28 6.175 11.612 -0.075 1.00 0.00 O ATOM 0 H SER A 28 4.714 10.046 1.035 1.00 0.00 H new ATOM 0 HA SER A 28 7.432 9.114 1.763 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.075 11.337 0.672 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.510 10.079 -0.410 1.00 0.00 H new ATOM 0 HG SER A 28 6.504 12.126 -0.842 1.00 0.00 H new ATOM 430 N GLY A 29 7.675 10.603 3.720 1.00 0.00 N ATOM 431 CA GLY A 29 7.708 11.343 4.963 1.00 0.00 C ATOM 432 C GLY A 29 9.118 11.612 5.438 1.00 0.00 C ATOM 433 O GLY A 29 10.013 11.873 4.631 1.00 0.00 O ATOM 0 H GLY A 29 8.453 9.957 3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.185 12.290 4.832 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.170 10.785 5.729 1.00 0.00 H new ATOM 437 N LEU A 30 9.320 11.539 6.743 1.00 0.00 N ATOM 438 CA LEU A 30 10.624 11.808 7.335 1.00 0.00 C ATOM 439 C LEU A 30 11.293 10.508 7.754 1.00 0.00 C ATOM 440 O LEU A 30 10.627 9.590 8.224 1.00 0.00 O ATOM 441 CB LEU A 30 10.478 12.728 8.548 1.00 0.00 C ATOM 442 CG LEU A 30 9.766 14.052 8.279 1.00 0.00 C ATOM 443 CD1 LEU A 30 9.707 14.885 9.547 1.00 0.00 C ATOM 444 CD2 LEU A 30 10.461 14.818 7.163 1.00 0.00 C ATOM 0 H LEU A 30 8.595 11.295 7.417 1.00 0.00 H new ATOM 0 HA LEU A 30 11.245 12.302 6.588 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.934 12.193 9.326 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.471 12.942 8.943 1.00 0.00 H new ATOM 0 HG LEU A 30 8.746 13.839 7.959 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.197 15.826 9.341 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.162 14.338 10.317 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.719 15.090 9.895 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.938 15.758 6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.492 15.024 7.451 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.451 14.221 6.251 1.00 0.00 H new ATOM 456 N PHE A 31 12.605 10.436 7.585 1.00 0.00 N ATOM 457 CA PHE A 31 13.359 9.236 7.928 1.00 0.00 C ATOM 458 C PHE A 31 13.273 8.944 9.425 1.00 0.00 C ATOM 459 O PHE A 31 13.323 9.863 10.246 1.00 0.00 O ATOM 460 CB PHE A 31 14.823 9.392 7.503 1.00 0.00 C ATOM 461 CG PHE A 31 15.699 8.235 7.900 1.00 0.00 C ATOM 462 CD1 PHE A 31 15.586 7.013 7.260 1.00 0.00 C ATOM 463 CD2 PHE A 31 16.630 8.371 8.919 1.00 0.00 C ATOM 464 CE1 PHE A 31 16.384 5.948 7.625 1.00 0.00 C ATOM 465 CE2 PHE A 31 17.434 7.307 9.288 1.00 0.00 C ATOM 466 CZ PHE A 31 17.308 6.094 8.641 1.00 0.00 C ATOM 0 H PHE A 31 13.173 11.197 7.211 1.00 0.00 H new ATOM 0 HA PHE A 31 12.921 8.394 7.392 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.866 9.513 6.421 1.00 0.00 H new ATOM 0 HB3 PHE A 31 15.223 10.306 7.942 1.00 0.00 H new ATOM 0 HD1 PHE A 31 14.865 6.892 6.465 1.00 0.00 H new ATOM 0 HD2 PHE A 31 16.728 9.317 9.430 1.00 0.00 H new ATOM 0 HE1 PHE A 31 16.286 5.000 7.116 1.00 0.00 H new ATOM 0 HE2 PHE A 31 18.158 7.425 10.080 1.00 0.00 H new ATOM 0 HZ PHE A 31 17.931 5.260 8.929 1.00 0.00 H new ATOM 476 N ASN A 32 13.110 7.659 9.756 1.00 0.00 N ATOM 477 CA ASN A 32 13.077 7.182 11.143 1.00 0.00 C ATOM 478 C ASN A 32 11.755 7.554 11.820 1.00 0.00 C ATOM 479 O ASN A 32 11.529 7.257 12.992 1.00 0.00 O ATOM 480 CB ASN A 32 14.289 7.730 11.926 1.00 0.00 C ATOM 481 CG ASN A 32 14.364 7.235 13.362 1.00 0.00 C ATOM 482 OD1 ASN A 32 14.898 6.156 13.635 1.00 0.00 O ATOM 483 ND2 ASN A 32 13.859 8.033 14.290 1.00 0.00 N ATOM 0 H ASN A 32 12.997 6.916 9.066 1.00 0.00 H new ATOM 0 HA ASN A 32 13.143 6.094 11.138 1.00 0.00 H new ATOM 0 HB2 ASN A 32 15.204 7.448 11.406 1.00 0.00 H new ATOM 0 HB3 ASN A 32 14.246 8.819 11.928 1.00 0.00 H new ATOM 0 HD21 ASN A 32 13.903 7.764 15.273 1.00 0.00 H new ATOM 0 HD22 ASN A 32 13.426 8.917 14.022 1.00 0.00 H new ATOM 490 N GLU A 33 10.852 8.159 11.064 1.00 0.00 N ATOM 491 CA GLU A 33 9.601 8.619 11.634 1.00 0.00 C ATOM 492 C GLU A 33 8.491 7.634 11.303 1.00 0.00 C ATOM 493 O GLU A 33 8.417 7.132 10.183 1.00 0.00 O ATOM 494 CB GLU A 33 9.260 10.018 11.120 1.00 0.00 C ATOM 495 CG GLU A 33 8.383 10.808 12.075 1.00 0.00 C ATOM 496 CD GLU A 33 8.997 10.907 13.458 1.00 0.00 C ATOM 497 OE1 GLU A 33 9.866 11.783 13.667 1.00 0.00 O ATOM 498 OE2 GLU A 33 8.628 10.096 14.335 1.00 0.00 O ATOM 0 H GLU A 33 10.962 8.340 10.066 1.00 0.00 H new ATOM 0 HA GLU A 33 9.704 8.676 12.718 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.184 10.569 10.945 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.753 9.932 10.159 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.223 11.810 11.676 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.404 10.333 12.146 1.00 0.00 H new ATOM 505 N ALA A 34 7.651 7.341 12.283 1.00 0.00 N ATOM 506 CA ALA A 34 6.578 6.376 12.106 1.00 0.00 C ATOM 507 C ALA A 34 5.499 6.929 11.191 1.00 0.00 C ATOM 508 O ALA A 34 5.281 8.141 11.132 1.00 0.00 O ATOM 509 CB ALA A 34 5.988 5.989 13.451 1.00 0.00 C ATOM 0 H ALA A 34 7.692 7.759 13.212 1.00 0.00 H new ATOM 0 HA ALA A 34 6.994 5.484 11.639 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.186 5.266 13.302 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.764 5.546 14.075 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.590 6.877 13.943 1.00 0.00 H new ATOM 515 N TYR A 35 4.830 6.045 10.472 1.00 0.00 N ATOM 516 CA TYR A 35 3.780 6.462 9.564 1.00 0.00 C ATOM 517 C TYR A 35 2.527 5.621 9.744 1.00 0.00 C ATOM 518 O TYR A 35 2.547 4.578 10.399 1.00 0.00 O ATOM 519 CB TYR A 35 4.261 6.400 8.110 1.00 0.00 C ATOM 520 CG TYR A 35 4.660 5.023 7.621 1.00 0.00 C ATOM 521 CD1 TYR A 35 3.700 4.088 7.262 1.00 0.00 C ATOM 522 CD2 TYR A 35 5.997 4.669 7.488 1.00 0.00 C ATOM 523 CE1 TYR A 35 4.056 2.844 6.790 1.00 0.00 C ATOM 524 CE2 TYR A 35 6.361 3.421 7.017 1.00 0.00 C ATOM 525 CZ TYR A 35 5.384 2.512 6.669 1.00 0.00 C ATOM 526 OH TYR A 35 5.731 1.275 6.183 1.00 0.00 O ATOM 0 H TYR A 35 4.995 5.039 10.500 1.00 0.00 H new ATOM 0 HA TYR A 35 3.529 7.496 9.803 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.469 6.782 7.466 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.114 7.069 7.997 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.654 4.340 7.354 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.764 5.380 7.757 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.293 2.131 6.515 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.405 3.160 6.922 1.00 0.00 H new ATOM 0 HH TYR A 35 6.696 1.140 6.291 1.00 0.00 H new ATOM 536 N ASN A 36 1.441 6.094 9.155 1.00 0.00 N ATOM 537 CA ASN A 36 0.169 5.395 9.195 1.00 0.00 C ATOM 538 C ASN A 36 -0.302 5.099 7.781 1.00 0.00 C ATOM 539 O ASN A 36 -0.294 5.983 6.920 1.00 0.00 O ATOM 540 CB ASN A 36 -0.878 6.234 9.932 1.00 0.00 C ATOM 541 CG ASN A 36 -0.638 6.294 11.429 1.00 0.00 C ATOM 542 OD1 ASN A 36 -1.150 5.466 12.184 1.00 0.00 O ATOM 543 ND2 ASN A 36 0.141 7.270 11.872 1.00 0.00 N ATOM 0 H ASN A 36 1.417 6.972 8.637 1.00 0.00 H new ATOM 0 HA ASN A 36 0.302 4.456 9.732 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.876 7.246 9.528 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.868 5.818 9.744 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.335 7.355 12.870 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.547 7.937 11.215 1.00 0.00 H new ATOM 550 N VAL A 37 -0.700 3.860 7.537 1.00 0.00 N ATOM 551 CA VAL A 37 -1.136 3.448 6.212 1.00 0.00 C ATOM 552 C VAL A 37 -2.655 3.448 6.122 1.00 0.00 C ATOM 553 O VAL A 37 -3.328 2.740 6.871 1.00 0.00 O ATOM 554 CB VAL A 37 -0.610 2.044 5.848 1.00 0.00 C ATOM 555 CG1 VAL A 37 -1.080 1.627 4.463 1.00 0.00 C ATOM 556 CG2 VAL A 37 0.905 2.008 5.927 1.00 0.00 C ATOM 0 H VAL A 37 -0.730 3.122 8.240 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.725 4.168 5.504 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.014 1.334 6.570 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.695 0.634 4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.170 1.608 4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.713 2.339 3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.259 1.010 5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.323 2.734 5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.222 2.253 6.941 1.00 0.00 H new ATOM 566 N PRO A 38 -3.216 4.259 5.215 1.00 0.00 N ATOM 567 CA PRO A 38 -4.659 4.312 4.990 1.00 0.00 C ATOM 568 C PRO A 38 -5.178 3.031 4.348 1.00 0.00 C ATOM 569 O PRO A 38 -4.701 2.616 3.290 1.00 0.00 O ATOM 570 CB PRO A 38 -4.846 5.499 4.033 1.00 0.00 C ATOM 571 CG PRO A 38 -3.538 6.221 4.028 1.00 0.00 C ATOM 572 CD PRO A 38 -2.495 5.193 4.344 1.00 0.00 C ATOM 0 HA PRO A 38 -5.210 4.421 5.924 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.109 5.158 3.032 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.652 6.151 4.370 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.350 6.681 3.058 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.532 7.022 4.767 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.124 4.703 3.444 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.633 5.632 4.846 1.00 0.00 H new ATOM 580 N MET A 39 -6.144 2.403 4.999 1.00 0.00 N ATOM 581 CA MET A 39 -6.768 1.204 4.462 1.00 0.00 C ATOM 582 C MET A 39 -7.850 1.605 3.475 1.00 0.00 C ATOM 583 O MET A 39 -7.883 1.118 2.342 1.00 0.00 O ATOM 584 CB MET A 39 -7.365 0.352 5.586 1.00 0.00 C ATOM 585 CG MET A 39 -6.334 -0.185 6.569 1.00 0.00 C ATOM 586 SD MET A 39 -5.111 -1.255 5.784 1.00 0.00 S ATOM 587 CE MET A 39 -6.167 -2.539 5.122 1.00 0.00 C ATOM 0 H MET A 39 -6.513 2.704 5.901 1.00 0.00 H new ATOM 0 HA MET A 39 -6.012 0.606 3.953 1.00 0.00 H new ATOM 0 HB2 MET A 39 -8.096 0.949 6.132 1.00 0.00 H new ATOM 0 HB3 MET A 39 -7.904 -0.487 5.145 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.825 0.651 7.047 1.00 0.00 H new ATOM 0 HG3 MET A 39 -6.844 -0.740 7.356 1.00 0.00 H new ATOM 0 HE1 MET A 39 -5.626 -3.485 5.110 1.00 0.00 H new ATOM 0 HE2 MET A 39 -7.055 -2.637 5.746 1.00 0.00 H new ATOM 0 HE3 MET A 39 -6.464 -2.278 4.106 1.00 0.00 H new ATOM 597 N LYS A 40 -8.732 2.495 3.936 1.00 0.00 N ATOM 598 CA LYS A 40 -9.758 3.119 3.101 1.00 0.00 C ATOM 599 C LYS A 40 -10.844 2.122 2.697 1.00 0.00 C ATOM 600 O LYS A 40 -10.578 0.940 2.463 1.00 0.00 O ATOM 601 CB LYS A 40 -9.117 3.756 1.861 1.00 0.00 C ATOM 602 CG LYS A 40 -10.045 4.675 1.090 1.00 0.00 C ATOM 603 CD LYS A 40 -9.326 5.321 -0.081 1.00 0.00 C ATOM 604 CE LYS A 40 -10.183 6.381 -0.743 1.00 0.00 C ATOM 605 NZ LYS A 40 -9.482 7.020 -1.882 1.00 0.00 N ATOM 0 H LYS A 40 -8.753 2.805 4.908 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.239 3.899 3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.237 4.320 2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.771 2.964 1.196 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.903 4.109 0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.431 5.448 1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.394 5.769 0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.060 4.558 -0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.112 5.931 -1.093 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.453 7.141 -0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.099 7.740 -2.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.608 7.471 -1.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.246 6.299 -2.593 1.00 0.00 H new ATOM 619 N LYS A 41 -12.079 2.592 2.640 1.00 0.00 N ATOM 620 CA LYS A 41 -13.172 1.756 2.182 1.00 0.00 C ATOM 621 C LYS A 41 -13.215 1.751 0.663 1.00 0.00 C ATOM 622 O LYS A 41 -13.774 2.659 0.046 1.00 0.00 O ATOM 623 CB LYS A 41 -14.519 2.241 2.722 1.00 0.00 C ATOM 624 CG LYS A 41 -15.676 1.321 2.351 1.00 0.00 C ATOM 625 CD LYS A 41 -17.023 1.984 2.577 1.00 0.00 C ATOM 626 CE LYS A 41 -17.228 3.165 1.640 1.00 0.00 C ATOM 627 NZ LYS A 41 -18.587 3.748 1.773 1.00 0.00 N ATOM 0 H LYS A 41 -12.347 3.540 2.903 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.996 0.748 2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.461 2.323 3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.720 3.241 2.337 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.586 1.029 1.305 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.617 0.408 2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -17.819 1.255 2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -17.094 2.322 3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -16.482 3.931 1.853 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -17.070 2.843 0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -18.686 4.550 1.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -19.299 3.025 1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -18.729 4.078 2.749 1.00 0.00 H new ATOM 641 N ILE A 42 -12.591 0.756 0.059 1.00 0.00 N ATOM 642 CA ILE A 42 -12.673 0.592 -1.377 1.00 0.00 C ATOM 643 C ILE A 42 -14.060 0.068 -1.729 1.00 0.00 C ATOM 644 O ILE A 42 -14.616 -0.754 -0.999 1.00 0.00 O ATOM 645 CB ILE A 42 -11.577 -0.354 -1.914 1.00 0.00 C ATOM 646 CG1 ILE A 42 -10.215 0.041 -1.337 1.00 0.00 C ATOM 647 CG2 ILE A 42 -11.536 -0.305 -3.437 1.00 0.00 C ATOM 648 CD1 ILE A 42 -9.076 -0.835 -1.805 1.00 0.00 C ATOM 0 H ILE A 42 -12.026 0.055 0.538 1.00 0.00 H new ATOM 0 HA ILE A 42 -12.508 1.560 -1.851 1.00 0.00 H new ATOM 0 HB ILE A 42 -11.810 -1.373 -1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.002 1.075 -1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.267 0.003 -0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -10.759 -0.977 -3.802 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.501 -0.615 -3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.319 0.712 -3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.145 -0.493 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -9.265 -1.867 -1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.996 -0.778 -2.891 1.00 0.00 H new ATOM 660 N LYS A 43 -14.609 0.561 -2.830 1.00 0.00 N ATOM 661 CA LYS A 43 -16.012 0.346 -3.173 1.00 0.00 C ATOM 662 C LYS A 43 -16.353 -1.134 -3.354 1.00 0.00 C ATOM 663 O LYS A 43 -16.153 -1.704 -4.428 1.00 0.00 O ATOM 664 CB LYS A 43 -16.355 1.124 -4.444 1.00 0.00 C ATOM 665 CG LYS A 43 -15.904 2.577 -4.394 1.00 0.00 C ATOM 666 CD LYS A 43 -16.300 3.335 -5.649 1.00 0.00 C ATOM 667 CE LYS A 43 -15.761 4.757 -5.639 1.00 0.00 C ATOM 668 NZ LYS A 43 -14.277 4.801 -5.760 1.00 0.00 N ATOM 0 H LYS A 43 -14.097 1.121 -3.512 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.612 0.710 -2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.889 0.634 -5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.433 1.089 -4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.342 3.063 -3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.822 2.617 -4.271 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.923 2.809 -6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -17.387 3.358 -5.733 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.207 5.318 -6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.063 5.251 -4.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.972 5.780 -5.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.846 4.457 -4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.975 4.197 -6.551 1.00 0.00 H new ATOM 682 N GLY A 44 -16.861 -1.743 -2.289 1.00 0.00 N ATOM 683 CA GLY A 44 -17.294 -3.125 -2.344 1.00 0.00 C ATOM 684 C GLY A 44 -16.148 -4.117 -2.261 1.00 0.00 C ATOM 685 O GLY A 44 -16.181 -5.164 -2.906 1.00 0.00 O ATOM 0 H GLY A 44 -16.981 -1.298 -1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -17.989 -3.314 -1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.842 -3.290 -3.272 1.00 0.00 H new ATOM 689 N TYR A 45 -15.138 -3.799 -1.465 1.00 0.00 N ATOM 690 CA TYR A 45 -13.997 -4.691 -1.291 1.00 0.00 C ATOM 691 C TYR A 45 -13.786 -5.041 0.178 1.00 0.00 C ATOM 692 O TYR A 45 -13.820 -4.170 1.046 1.00 0.00 O ATOM 693 CB TYR A 45 -12.720 -4.064 -1.858 1.00 0.00 C ATOM 694 CG TYR A 45 -12.679 -4.004 -3.368 1.00 0.00 C ATOM 695 CD1 TYR A 45 -13.366 -3.019 -4.061 1.00 0.00 C ATOM 696 CD2 TYR A 45 -11.948 -4.930 -4.100 1.00 0.00 C ATOM 697 CE1 TYR A 45 -13.327 -2.954 -5.438 1.00 0.00 C ATOM 698 CE2 TYR A 45 -11.904 -4.873 -5.480 1.00 0.00 C ATOM 699 CZ TYR A 45 -12.598 -3.883 -6.143 1.00 0.00 C ATOM 700 OH TYR A 45 -12.558 -3.818 -7.516 1.00 0.00 O ATOM 0 H TYR A 45 -15.083 -2.932 -0.930 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.217 -5.607 -1.839 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.618 -3.054 -1.462 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -11.861 -4.634 -1.504 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -13.942 -2.289 -3.512 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.405 -5.707 -3.583 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -13.866 -2.177 -5.960 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.330 -5.599 -6.036 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.999 -4.545 -7.862 1.00 0.00 H new ATOM 710 N THR A 46 -13.577 -6.320 0.439 1.00 0.00 N ATOM 711 CA THR A 46 -13.267 -6.808 1.772 1.00 0.00 C ATOM 712 C THR A 46 -11.771 -7.089 1.857 1.00 0.00 C ATOM 713 O THR A 46 -11.192 -7.580 0.899 1.00 0.00 O ATOM 714 CB THR A 46 -14.055 -8.105 2.079 1.00 0.00 C ATOM 715 OG1 THR A 46 -15.458 -7.838 2.112 1.00 0.00 O ATOM 716 CG2 THR A 46 -13.622 -8.724 3.401 1.00 0.00 C ATOM 0 H THR A 46 -13.618 -7.052 -0.270 1.00 0.00 H new ATOM 0 HA THR A 46 -13.552 -6.052 2.503 1.00 0.00 H new ATOM 0 HB THR A 46 -13.838 -8.816 1.282 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.944 -8.667 2.305 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.197 -9.632 3.583 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.561 -8.969 3.358 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.798 -8.015 4.210 1.00 0.00 H new ATOM 724 N LEU A 47 -11.131 -6.755 2.968 1.00 0.00 N ATOM 725 CA LEU A 47 -9.711 -7.037 3.104 1.00 0.00 C ATOM 726 C LEU A 47 -9.480 -8.538 3.194 1.00 0.00 C ATOM 727 O LEU A 47 -9.898 -9.182 4.157 1.00 0.00 O ATOM 728 CB LEU A 47 -9.113 -6.354 4.333 1.00 0.00 C ATOM 729 CG LEU A 47 -7.599 -6.522 4.476 1.00 0.00 C ATOM 730 CD1 LEU A 47 -6.879 -5.878 3.304 1.00 0.00 C ATOM 731 CD2 LEU A 47 -7.109 -5.935 5.787 1.00 0.00 C ATOM 0 H LEU A 47 -11.561 -6.298 3.772 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.213 -6.640 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.346 -5.290 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.596 -6.751 5.226 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.376 -7.589 4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.803 -6.007 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.201 -6.350 2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.115 -4.814 3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.030 -6.067 5.864 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.348 -4.872 5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.597 -6.444 6.618 1.00 0.00 H new ATOM 743 N LEU A 48 -8.832 -9.089 2.182 1.00 0.00 N ATOM 744 CA LEU A 48 -8.510 -10.501 2.173 1.00 0.00 C ATOM 745 C LEU A 48 -7.419 -10.786 3.194 1.00 0.00 C ATOM 746 O LEU A 48 -7.577 -11.656 4.056 1.00 0.00 O ATOM 747 CB LEU A 48 -8.060 -10.937 0.774 1.00 0.00 C ATOM 748 CG LEU A 48 -7.674 -12.412 0.641 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.860 -13.311 0.960 1.00 0.00 C ATOM 750 CD2 LEU A 48 -7.151 -12.698 -0.757 1.00 0.00 C ATOM 0 H LEU A 48 -8.519 -8.578 1.357 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.401 -11.070 2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.864 -10.724 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.206 -10.327 0.478 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.882 -12.625 1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.563 -14.355 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.193 -13.126 1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.675 -13.097 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.881 -13.751 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.924 -12.466 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.272 -12.082 -0.950 1.00 0.00 H new ATOM 762 N LYS A 49 -6.336 -10.015 3.117 1.00 0.00 N ATOM 763 CA LYS A 49 -5.179 -10.213 3.981 1.00 0.00 C ATOM 764 C LYS A 49 -4.056 -9.244 3.619 1.00 0.00 C ATOM 765 O LYS A 49 -3.794 -8.992 2.443 1.00 0.00 O ATOM 766 CB LYS A 49 -4.659 -11.654 3.858 1.00 0.00 C ATOM 767 CG LYS A 49 -3.416 -11.946 4.684 1.00 0.00 C ATOM 768 CD LYS A 49 -3.693 -11.861 6.177 1.00 0.00 C ATOM 769 CE LYS A 49 -2.441 -12.150 6.991 1.00 0.00 C ATOM 770 NZ LYS A 49 -1.852 -13.472 6.651 1.00 0.00 N ATOM 0 H LYS A 49 -6.238 -9.242 2.459 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.495 -10.025 5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.450 -12.340 4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.441 -11.860 2.810 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.044 -12.941 4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.630 -11.238 4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.068 -10.867 6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.475 -12.572 6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.704 -11.367 6.813 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.684 -12.123 8.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.155 -13.738 7.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.605 -14.189 6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.384 -13.415 5.724 1.00 0.00 H new ATOM 784 N TYR A 50 -3.415 -8.688 4.634 1.00 0.00 N ATOM 785 CA TYR A 50 -2.162 -7.982 4.441 1.00 0.00 C ATOM 786 C TYR A 50 -1.068 -8.752 5.169 1.00 0.00 C ATOM 787 O TYR A 50 -1.244 -9.142 6.323 1.00 0.00 O ATOM 788 CB TYR A 50 -2.248 -6.520 4.907 1.00 0.00 C ATOM 789 CG TYR A 50 -2.495 -6.320 6.390 1.00 0.00 C ATOM 790 CD1 TYR A 50 -3.738 -6.571 6.954 1.00 0.00 C ATOM 791 CD2 TYR A 50 -1.482 -5.857 7.217 1.00 0.00 C ATOM 792 CE1 TYR A 50 -3.965 -6.369 8.302 1.00 0.00 C ATOM 793 CE2 TYR A 50 -1.698 -5.654 8.566 1.00 0.00 C ATOM 794 CZ TYR A 50 -2.941 -5.909 9.104 1.00 0.00 C ATOM 795 OH TYR A 50 -3.163 -5.704 10.447 1.00 0.00 O ATOM 0 H TYR A 50 -3.743 -8.713 5.600 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.928 -7.935 3.377 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.319 -6.017 4.640 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.047 -6.027 4.354 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.542 -6.930 6.329 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.508 -5.652 6.799 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.938 -6.570 8.725 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.897 -5.297 9.196 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.315 -5.774 10.933 1.00 0.00 H new ATOM 805 N ASP A 51 0.034 -9.007 4.476 1.00 0.00 N ATOM 806 CA ASP A 51 1.060 -9.930 4.964 1.00 0.00 C ATOM 807 C ASP A 51 1.674 -9.480 6.286 1.00 0.00 C ATOM 808 O ASP A 51 1.539 -10.156 7.307 1.00 0.00 O ATOM 809 CB ASP A 51 2.161 -10.096 3.918 1.00 0.00 C ATOM 810 CG ASP A 51 3.263 -11.024 4.386 1.00 0.00 C ATOM 811 OD1 ASP A 51 3.116 -12.256 4.236 1.00 0.00 O ATOM 812 OD2 ASP A 51 4.284 -10.529 4.901 1.00 0.00 O ATOM 0 H ASP A 51 0.244 -8.588 3.570 1.00 0.00 H new ATOM 0 HA ASP A 51 0.566 -10.885 5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.728 -10.485 2.997 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.586 -9.120 3.683 1.00 0.00 H new ATOM 817 N SER A 52 2.362 -8.355 6.265 1.00 0.00 N ATOM 818 CA SER A 52 3.044 -7.869 7.449 1.00 0.00 C ATOM 819 C SER A 52 2.446 -6.553 7.924 1.00 0.00 C ATOM 820 O SER A 52 1.702 -5.900 7.191 1.00 0.00 O ATOM 821 CB SER A 52 4.541 -7.725 7.170 1.00 0.00 C ATOM 822 OG SER A 52 5.125 -8.992 6.897 1.00 0.00 O ATOM 0 H SER A 52 2.464 -7.761 5.442 1.00 0.00 H new ATOM 0 HA SER A 52 2.909 -8.596 8.250 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.695 -7.057 6.322 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.034 -7.269 8.029 1.00 0.00 H new ATOM 0 HG SER A 52 4.597 -9.455 6.213 1.00 0.00 H new ATOM 828 N GLU A 53 2.777 -6.182 9.157 1.00 0.00 N ATOM 829 CA GLU A 53 2.234 -4.984 9.788 1.00 0.00 C ATOM 830 C GLU A 53 2.530 -3.730 8.976 1.00 0.00 C ATOM 831 O GLU A 53 3.672 -3.481 8.583 1.00 0.00 O ATOM 832 CB GLU A 53 2.797 -4.837 11.203 1.00 0.00 C ATOM 833 CG GLU A 53 2.270 -5.882 12.171 1.00 0.00 C ATOM 834 CD GLU A 53 0.804 -5.682 12.494 1.00 0.00 C ATOM 835 OE1 GLU A 53 -0.045 -5.920 11.612 1.00 0.00 O ATOM 836 OE2 GLU A 53 0.491 -5.280 13.632 1.00 0.00 O ATOM 0 H GLU A 53 3.428 -6.702 9.746 1.00 0.00 H new ATOM 0 HA GLU A 53 1.151 -5.098 9.835 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.884 -4.905 11.163 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.553 -3.845 11.582 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.413 -6.874 11.743 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.851 -5.845 13.093 1.00 0.00 H new ATOM 843 N ILE A 54 1.487 -2.946 8.743 1.00 0.00 N ATOM 844 CA ILE A 54 1.601 -1.701 7.996 1.00 0.00 C ATOM 845 C ILE A 54 2.121 -0.579 8.889 1.00 0.00 C ATOM 846 O ILE A 54 2.469 0.501 8.416 1.00 0.00 O ATOM 847 CB ILE A 54 0.238 -1.284 7.400 1.00 0.00 C ATOM 848 CG1 ILE A 54 -0.811 -1.143 8.512 1.00 0.00 C ATOM 849 CG2 ILE A 54 -0.212 -2.300 6.359 1.00 0.00 C ATOM 850 CD1 ILE A 54 -2.171 -0.694 8.019 1.00 0.00 C ATOM 0 H ILE A 54 0.542 -3.154 9.065 1.00 0.00 H new ATOM 0 HA ILE A 54 2.307 -1.873 7.184 1.00 0.00 H new ATOM 0 HB ILE A 54 0.349 -0.316 6.912 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.918 -2.101 9.021 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.449 -0.428 9.251 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.174 -1.996 5.946 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.526 -2.353 5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.311 -3.280 6.826 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.857 -0.618 8.863 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.080 0.279 7.536 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.556 -1.420 7.303 1.00 0.00 H new ATOM 862 N LEU A 55 2.166 -0.841 10.186 1.00 0.00 N ATOM 863 CA LEU A 55 2.649 0.136 11.145 1.00 0.00 C ATOM 864 C LEU A 55 4.169 0.051 11.226 1.00 0.00 C ATOM 865 O LEU A 55 4.724 -0.956 11.677 1.00 0.00 O ATOM 866 CB LEU A 55 2.012 -0.115 12.520 1.00 0.00 C ATOM 867 CG LEU A 55 1.974 1.086 13.482 1.00 0.00 C ATOM 868 CD1 LEU A 55 3.368 1.463 13.965 1.00 0.00 C ATOM 869 CD2 LEU A 55 1.302 2.278 12.815 1.00 0.00 C ATOM 0 H LEU A 55 1.872 -1.726 10.598 1.00 0.00 H new ATOM 0 HA LEU A 55 2.369 1.138 10.822 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.990 -0.463 12.366 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.555 -0.926 13.006 1.00 0.00 H new ATOM 0 HG LEU A 55 1.390 0.793 14.355 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.301 2.315 14.642 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.813 0.617 14.489 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.990 1.728 13.110 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.283 3.119 13.508 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.860 2.557 11.921 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.282 2.013 12.538 1.00 0.00 H new ATOM 881 N GLY A 56 4.837 1.096 10.771 1.00 0.00 N ATOM 882 CA GLY A 56 6.282 1.119 10.803 1.00 0.00 C ATOM 883 C GLY A 56 6.831 2.521 10.689 1.00 0.00 C ATOM 884 O GLY A 56 6.076 3.494 10.728 1.00 0.00 O ATOM 0 H GLY A 56 4.403 1.932 10.379 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.631 0.668 11.732 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.672 0.510 9.987 1.00 0.00 H new ATOM 888 N VAL A 57 8.143 2.624 10.544 1.00 0.00 N ATOM 889 CA VAL A 57 8.803 3.916 10.414 1.00 0.00 C ATOM 890 C VAL A 57 9.412 4.062 9.023 1.00 0.00 C ATOM 891 O VAL A 57 9.723 3.066 8.370 1.00 0.00 O ATOM 892 CB VAL A 57 9.911 4.104 11.477 1.00 0.00 C ATOM 893 CG1 VAL A 57 9.324 4.087 12.881 1.00 0.00 C ATOM 894 CG2 VAL A 57 10.985 3.035 11.338 1.00 0.00 C ATOM 0 H VAL A 57 8.776 1.824 10.513 1.00 0.00 H new ATOM 0 HA VAL A 57 8.044 4.683 10.569 1.00 0.00 H new ATOM 0 HB VAL A 57 10.373 5.077 11.309 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.122 4.221 13.611 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.600 4.896 12.983 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.828 3.132 13.057 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.752 3.189 12.097 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.537 2.050 11.470 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.436 3.099 10.348 1.00 0.00 H new ATOM 904 N PHE A 58 9.564 5.299 8.569 1.00 0.00 N ATOM 905 CA PHE A 58 10.157 5.562 7.265 1.00 0.00 C ATOM 906 C PHE A 58 11.642 5.228 7.258 1.00 0.00 C ATOM 907 O PHE A 58 12.467 6.015 7.723 1.00 0.00 O ATOM 908 CB PHE A 58 9.981 7.026 6.851 1.00 0.00 C ATOM 909 CG PHE A 58 8.577 7.423 6.494 1.00 0.00 C ATOM 910 CD1 PHE A 58 8.006 7.008 5.302 1.00 0.00 C ATOM 911 CD2 PHE A 58 7.836 8.233 7.340 1.00 0.00 C ATOM 912 CE1 PHE A 58 6.724 7.391 4.962 1.00 0.00 C ATOM 913 CE2 PHE A 58 6.553 8.618 7.006 1.00 0.00 C ATOM 914 CZ PHE A 58 5.996 8.195 5.815 1.00 0.00 C ATOM 0 H PHE A 58 9.285 6.135 9.083 1.00 0.00 H new ATOM 0 HA PHE A 58 9.636 4.923 6.552 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.326 7.662 7.666 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.627 7.226 5.996 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.570 6.378 4.631 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.268 8.567 8.272 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.291 7.062 4.029 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.986 9.249 7.675 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.992 8.493 5.552 1.00 0.00 H new ATOM 924 N THR A 59 11.981 4.056 6.755 1.00 0.00 N ATOM 925 CA THR A 59 13.369 3.713 6.526 1.00 0.00 C ATOM 926 C THR A 59 13.785 4.216 5.150 1.00 0.00 C ATOM 927 O THR A 59 12.956 4.746 4.410 1.00 0.00 O ATOM 928 CB THR A 59 13.602 2.191 6.631 1.00 0.00 C ATOM 929 OG1 THR A 59 12.628 1.486 5.855 1.00 0.00 O ATOM 930 CG2 THR A 59 13.531 1.736 8.082 1.00 0.00 C ATOM 0 H THR A 59 11.315 3.328 6.498 1.00 0.00 H new ATOM 0 HA THR A 59 13.976 4.189 7.296 1.00 0.00 H new ATOM 0 HB THR A 59 14.596 1.971 6.243 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.787 0.522 5.928 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.698 0.660 8.135 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.297 2.251 8.663 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.548 1.971 8.489 1.00 0.00 H new ATOM 938 N GLU A 60 15.056 4.073 4.809 1.00 0.00 N ATOM 939 CA GLU A 60 15.537 4.522 3.510 1.00 0.00 C ATOM 940 C GLU A 60 14.935 3.661 2.410 1.00 0.00 C ATOM 941 O GLU A 60 14.624 4.142 1.326 1.00 0.00 O ATOM 942 CB GLU A 60 17.054 4.420 3.428 1.00 0.00 C ATOM 943 CG GLU A 60 17.784 4.936 4.646 1.00 0.00 C ATOM 944 CD GLU A 60 19.246 4.560 4.615 1.00 0.00 C ATOM 945 OE1 GLU A 60 19.544 3.361 4.434 1.00 0.00 O ATOM 946 OE2 GLU A 60 20.101 5.457 4.759 1.00 0.00 O ATOM 0 H GLU A 60 15.768 3.654 5.407 1.00 0.00 H new ATOM 0 HA GLU A 60 15.238 5.563 3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.327 3.376 3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.396 4.974 2.554 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.687 6.020 4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.322 4.532 5.547 1.00 0.00 H new ATOM 953 N SER A 61 14.790 2.379 2.712 1.00 0.00 N ATOM 954 CA SER A 61 14.312 1.410 1.746 1.00 0.00 C ATOM 955 C SER A 61 12.836 1.641 1.433 1.00 0.00 C ATOM 956 O SER A 61 11.999 1.622 2.336 1.00 0.00 O ATOM 957 CB SER A 61 14.511 -0.001 2.301 1.00 0.00 C ATOM 958 OG SER A 61 15.822 -0.158 2.828 1.00 0.00 O ATOM 0 H SER A 61 15.000 1.986 3.630 1.00 0.00 H new ATOM 0 HA SER A 61 14.880 1.525 0.823 1.00 0.00 H new ATOM 0 HB2 SER A 61 13.775 -0.197 3.081 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.342 -0.734 1.512 1.00 0.00 H new ATOM 0 HG SER A 61 15.927 -1.067 3.179 1.00 0.00 H new ATOM 964 N PRO A 62 12.506 1.883 0.157 1.00 0.00 N ATOM 965 CA PRO A 62 11.120 2.014 -0.282 1.00 0.00 C ATOM 966 C PRO A 62 10.333 0.740 0.001 1.00 0.00 C ATOM 967 O PRO A 62 10.514 -0.278 -0.669 1.00 0.00 O ATOM 968 CB PRO A 62 11.228 2.255 -1.793 1.00 0.00 C ATOM 969 CG PRO A 62 12.625 2.721 -2.014 1.00 0.00 C ATOM 970 CD PRO A 62 13.455 2.059 -0.953 1.00 0.00 C ATOM 0 HA PRO A 62 10.595 2.815 0.238 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.024 1.342 -2.353 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.506 3.001 -2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.974 2.448 -3.010 1.00 0.00 H new ATOM 0 HG3 PRO A 62 12.691 3.807 -1.940 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.857 1.105 -1.294 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.304 2.677 -0.662 1.00 0.00 H new ATOM 978 N GLN A 63 9.478 0.794 1.009 1.00 0.00 N ATOM 979 CA GLN A 63 8.726 -0.372 1.433 1.00 0.00 C ATOM 980 C GLN A 63 7.458 -0.517 0.611 1.00 0.00 C ATOM 981 O GLN A 63 6.639 0.398 0.555 1.00 0.00 O ATOM 982 CB GLN A 63 8.389 -0.269 2.922 1.00 0.00 C ATOM 983 CG GLN A 63 9.619 -0.156 3.807 1.00 0.00 C ATOM 984 CD GLN A 63 9.279 0.010 5.276 1.00 0.00 C ATOM 985 OE1 GLN A 63 8.246 0.571 5.632 1.00 0.00 O ATOM 986 NE2 GLN A 63 10.151 -0.472 6.142 1.00 0.00 N ATOM 0 H GLN A 63 9.288 1.638 1.550 1.00 0.00 H new ATOM 0 HA GLN A 63 9.340 -1.258 1.274 1.00 0.00 H new ATOM 0 HB2 GLN A 63 7.751 0.600 3.084 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.814 -1.146 3.220 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.234 -1.047 3.681 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.218 0.694 3.480 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.999 -0.932 5.810 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.977 -0.384 7.143 1.00 0.00 H new ATOM 995 N THR A 64 7.312 -1.655 -0.043 1.00 0.00 N ATOM 996 CA THR A 64 6.145 -1.916 -0.866 1.00 0.00 C ATOM 997 C THR A 64 5.107 -2.708 -0.082 1.00 0.00 C ATOM 998 O THR A 64 5.274 -3.904 0.162 1.00 0.00 O ATOM 999 CB THR A 64 6.518 -2.694 -2.142 1.00 0.00 C ATOM 1000 OG1 THR A 64 7.619 -2.051 -2.799 1.00 0.00 O ATOM 1001 CG2 THR A 64 5.336 -2.772 -3.099 1.00 0.00 C ATOM 0 H THR A 64 7.990 -2.416 -0.020 1.00 0.00 H new ATOM 0 HA THR A 64 5.729 -0.951 -1.155 1.00 0.00 H new ATOM 0 HB THR A 64 6.799 -3.706 -1.852 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.854 -2.550 -3.609 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.626 -3.326 -3.991 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.505 -3.281 -2.610 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.029 -1.765 -3.381 1.00 0.00 H new ATOM 1009 N ILE A 65 4.043 -2.035 0.323 1.00 0.00 N ATOM 1010 CA ILE A 65 2.979 -2.680 1.064 1.00 0.00 C ATOM 1011 C ILE A 65 1.836 -3.032 0.127 1.00 0.00 C ATOM 1012 O ILE A 65 1.001 -2.187 -0.207 1.00 0.00 O ATOM 1013 CB ILE A 65 2.448 -1.793 2.213 1.00 0.00 C ATOM 1014 CG1 ILE A 65 3.604 -1.330 3.104 1.00 0.00 C ATOM 1015 CG2 ILE A 65 1.417 -2.558 3.038 1.00 0.00 C ATOM 1016 CD1 ILE A 65 3.177 -0.415 4.231 1.00 0.00 C ATOM 0 H ILE A 65 3.896 -1.041 0.149 1.00 0.00 H new ATOM 0 HA ILE A 65 3.394 -3.585 1.507 1.00 0.00 H new ATOM 0 HB ILE A 65 1.967 -0.915 1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.098 -2.205 3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.341 -0.814 2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.051 -1.922 3.844 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.583 -2.850 2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.879 -3.450 3.461 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.050 -0.129 4.818 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.710 0.479 3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.463 -0.934 4.871 1.00 0.00 H new ATOM 1028 N ASN A 66 1.830 -4.274 -0.335 1.00 0.00 N ATOM 1029 CA ASN A 66 0.766 -4.758 -1.197 1.00 0.00 C ATOM 1030 C ASN A 66 -0.409 -5.222 -0.352 1.00 0.00 C ATOM 1031 O ASN A 66 -0.441 -6.357 0.126 1.00 0.00 O ATOM 1032 CB ASN A 66 1.257 -5.900 -2.094 1.00 0.00 C ATOM 1033 CG ASN A 66 2.338 -5.464 -3.067 1.00 0.00 C ATOM 1034 OD1 ASN A 66 2.365 -4.317 -3.514 1.00 0.00 O ATOM 1035 ND2 ASN A 66 3.231 -6.379 -3.412 1.00 0.00 N ATOM 0 H ASN A 66 2.552 -4.964 -0.126 1.00 0.00 H new ATOM 0 HA ASN A 66 0.446 -3.939 -1.842 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.641 -6.706 -1.469 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.413 -6.304 -2.653 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.974 -6.144 -4.070 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.176 -7.319 -3.020 1.00 0.00 H new ATOM 1042 N ILE A 67 -1.351 -4.319 -0.137 1.00 0.00 N ATOM 1043 CA ILE A 67 -2.538 -4.616 0.646 1.00 0.00 C ATOM 1044 C ILE A 67 -3.557 -5.322 -0.235 1.00 0.00 C ATOM 1045 O ILE A 67 -4.019 -4.763 -1.229 1.00 0.00 O ATOM 1046 CB ILE A 67 -3.153 -3.330 1.235 1.00 0.00 C ATOM 1047 CG1 ILE A 67 -2.103 -2.569 2.047 1.00 0.00 C ATOM 1048 CG2 ILE A 67 -4.359 -3.665 2.101 1.00 0.00 C ATOM 1049 CD1 ILE A 67 -2.579 -1.232 2.572 1.00 0.00 C ATOM 0 H ILE A 67 -1.315 -3.366 -0.498 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.254 -5.263 1.476 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.487 -2.694 0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.791 -3.188 2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.222 -2.410 1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.781 -2.746 2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.111 -4.173 1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.050 -4.316 2.919 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.777 -0.756 3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.863 -0.593 1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.441 -1.382 3.223 1.00 0.00 H new ATOM 1061 N ILE A 68 -3.902 -6.547 0.126 1.00 0.00 N ATOM 1062 CA ILE A 68 -4.723 -7.376 -0.737 1.00 0.00 C ATOM 1063 C ILE A 68 -6.167 -7.401 -0.263 1.00 0.00 C ATOM 1064 O ILE A 68 -6.478 -7.922 0.811 1.00 0.00 O ATOM 1065 CB ILE A 68 -4.182 -8.817 -0.816 1.00 0.00 C ATOM 1066 CG1 ILE A 68 -2.709 -8.797 -1.227 1.00 0.00 C ATOM 1067 CG2 ILE A 68 -5.003 -9.643 -1.800 1.00 0.00 C ATOM 1068 CD1 ILE A 68 -2.070 -10.166 -1.284 1.00 0.00 C ATOM 0 H ILE A 68 -3.628 -6.986 1.005 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.684 -6.934 -1.732 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.266 -9.280 0.167 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.621 -8.325 -2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.154 -8.177 -0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.607 -10.657 -1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.042 -9.673 -1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.948 -9.190 -2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.026 -10.068 -1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.124 -10.634 -0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.599 -10.784 -2.010 1.00 0.00 H new ATOM 1080 N TYR A 69 -7.036 -6.816 -1.064 1.00 0.00 N ATOM 1081 CA TYR A 69 -8.459 -6.868 -0.813 1.00 0.00 C ATOM 1082 C TYR A 69 -9.077 -7.995 -1.622 1.00 0.00 C ATOM 1083 O TYR A 69 -8.373 -8.746 -2.287 1.00 0.00 O ATOM 1084 CB TYR A 69 -9.123 -5.535 -1.168 1.00 0.00 C ATOM 1085 CG TYR A 69 -8.954 -4.468 -0.110 1.00 0.00 C ATOM 1086 CD1 TYR A 69 -7.792 -3.709 -0.027 1.00 0.00 C ATOM 1087 CD2 TYR A 69 -9.968 -4.217 0.806 1.00 0.00 C ATOM 1088 CE1 TYR A 69 -7.645 -2.734 0.943 1.00 0.00 C ATOM 1089 CE2 TYR A 69 -9.828 -3.246 1.777 1.00 0.00 C ATOM 1090 CZ TYR A 69 -8.668 -2.506 1.841 1.00 0.00 C ATOM 1091 OH TYR A 69 -8.529 -1.541 2.811 1.00 0.00 O ATOM 0 H TYR A 69 -6.776 -6.295 -1.901 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.621 -7.054 0.249 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.707 -5.171 -2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.187 -5.703 -1.335 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -6.992 -3.883 -0.731 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -10.881 -4.791 0.757 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.735 -2.155 0.997 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -10.625 -3.067 2.484 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.314 -0.683 2.390 1.00 0.00 H new ATOM 1101 N GLN A 70 -10.380 -8.127 -1.516 1.00 0.00 N ATOM 1102 CA GLN A 70 -11.133 -9.084 -2.295 1.00 0.00 C ATOM 1103 C GLN A 70 -12.531 -8.526 -2.492 1.00 0.00 C ATOM 1104 O GLN A 70 -13.193 -8.164 -1.517 1.00 0.00 O ATOM 1105 CB GLN A 70 -11.186 -10.428 -1.569 1.00 0.00 C ATOM 1106 CG GLN A 70 -11.572 -11.594 -2.459 1.00 0.00 C ATOM 1107 CD GLN A 70 -11.608 -12.907 -1.705 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -11.945 -12.954 -0.522 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -11.226 -13.980 -2.374 1.00 0.00 N ATOM 0 H GLN A 70 -10.951 -7.569 -0.882 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.658 -9.248 -3.262 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.210 -10.629 -1.126 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.900 -10.358 -0.748 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.551 -11.404 -2.899 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.862 -11.670 -3.282 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.954 -13.900 -3.354 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.203 -14.888 -1.911 1.00 0.00 H new ATOM 1118 N LYS A 71 -12.975 -8.414 -3.732 1.00 0.00 N ATOM 1119 CA LYS A 71 -14.258 -7.789 -3.994 1.00 0.00 C ATOM 1120 C LYS A 71 -15.386 -8.648 -3.440 1.00 0.00 C ATOM 1121 O LYS A 71 -15.397 -9.866 -3.612 1.00 0.00 O ATOM 1122 CB LYS A 71 -14.463 -7.513 -5.485 1.00 0.00 C ATOM 1123 CG LYS A 71 -15.611 -6.551 -5.742 1.00 0.00 C ATOM 1124 CD LYS A 71 -15.534 -5.905 -7.113 1.00 0.00 C ATOM 1125 CE LYS A 71 -16.358 -4.629 -7.143 1.00 0.00 C ATOM 1126 NZ LYS A 71 -16.290 -3.936 -8.454 1.00 0.00 N ATOM 0 H LYS A 71 -12.476 -8.741 -4.559 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.269 -6.825 -3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.546 -7.101 -5.905 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.657 -8.452 -6.003 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.556 -7.086 -5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.607 -5.774 -4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.496 -5.681 -7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.899 -6.599 -7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.397 -4.867 -6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.006 -3.955 -6.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.869 -3.073 -8.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.303 -3.683 -8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.651 -4.566 -9.199 1.00 0.00 H new ATOM 1140 N LYS A 72 -16.329 -7.997 -2.771 1.00 0.00 N ATOM 1141 CA LYS A 72 -17.414 -8.691 -2.085 1.00 0.00 C ATOM 1142 C LYS A 72 -18.364 -9.350 -3.082 1.00 0.00 C ATOM 1143 O LYS A 72 -19.175 -10.195 -2.701 1.00 0.00 O ATOM 1144 CB LYS A 72 -18.192 -7.712 -1.203 1.00 0.00 C ATOM 1145 CG LYS A 72 -17.325 -6.917 -0.233 1.00 0.00 C ATOM 1146 CD LYS A 72 -18.173 -5.962 0.593 1.00 0.00 C ATOM 1147 CE LYS A 72 -17.333 -5.002 1.429 1.00 0.00 C ATOM 1148 NZ LYS A 72 -16.776 -5.653 2.641 1.00 0.00 N ATOM 0 H LYS A 72 -16.365 -6.981 -2.688 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.973 -9.470 -1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -18.733 -7.015 -1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -18.938 -8.267 -0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.791 -7.600 0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.573 -6.356 -0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -18.819 -5.389 -0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -18.824 -6.537 1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.517 -4.612 0.821 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.945 -4.150 1.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.358 -4.931 3.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.536 -6.149 3.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.043 -6.336 2.362 1.00 0.00 H new ATOM 1162 N ALA A 73 -18.247 -8.950 -4.352 1.00 0.00 N ATOM 1163 CA ALA A 73 -19.107 -9.442 -5.431 1.00 0.00 C ATOM 1164 C ALA A 73 -20.548 -8.970 -5.246 1.00 0.00 C ATOM 1165 O ALA A 73 -21.228 -9.364 -4.299 1.00 0.00 O ATOM 1166 CB ALA A 73 -19.042 -10.961 -5.546 1.00 0.00 C ATOM 0 H ALA A 73 -17.550 -8.273 -4.661 1.00 0.00 H new ATOM 0 HA ALA A 73 -18.733 -9.023 -6.365 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -19.692 -11.293 -6.356 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -18.017 -11.267 -5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -19.371 -11.411 -4.609 1.00 0.00 H new ATOM 1172 N PRO A 74 -21.026 -8.102 -6.150 1.00 0.00 N ATOM 1173 CA PRO A 74 -22.376 -7.542 -6.074 1.00 0.00 C ATOM 1174 C PRO A 74 -23.458 -8.597 -6.284 1.00 0.00 C ATOM 1175 O PRO A 74 -23.720 -9.024 -7.410 1.00 0.00 O ATOM 1176 CB PRO A 74 -22.415 -6.503 -7.206 1.00 0.00 C ATOM 1177 CG PRO A 74 -20.994 -6.305 -7.613 1.00 0.00 C ATOM 1178 CD PRO A 74 -20.294 -7.599 -7.318 1.00 0.00 C ATOM 0 HA PRO A 74 -22.576 -7.119 -5.090 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -23.017 -6.857 -8.043 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -22.860 -5.568 -6.866 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -20.923 -6.056 -8.672 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -20.541 -5.482 -7.060 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -20.349 -8.290 -8.159 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -19.237 -7.447 -7.099 1.00 0.00 H new ATOM 1186 N GLU A 75 -24.059 -9.034 -5.191 1.00 0.00 N ATOM 1187 CA GLU A 75 -25.147 -9.993 -5.249 1.00 0.00 C ATOM 1188 C GLU A 75 -26.468 -9.248 -5.088 1.00 0.00 C ATOM 1189 O GLU A 75 -26.515 -8.190 -4.453 1.00 0.00 O ATOM 1190 CB GLU A 75 -24.965 -11.053 -4.152 1.00 0.00 C ATOM 1191 CG GLU A 75 -25.511 -12.434 -4.507 1.00 0.00 C ATOM 1192 CD GLU A 75 -27.022 -12.512 -4.472 1.00 0.00 C ATOM 1193 OE1 GLU A 75 -27.590 -12.578 -3.365 1.00 0.00 O ATOM 1194 OE2 GLU A 75 -27.653 -12.502 -5.549 1.00 0.00 O ATOM 0 H GLU A 75 -23.810 -8.737 -4.247 1.00 0.00 H new ATOM 0 HA GLU A 75 -25.149 -10.507 -6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.903 -11.144 -3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -25.456 -10.705 -3.243 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -25.164 -12.708 -5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -25.101 -13.168 -3.813 1.00 0.00 H new ATOM 1201 N GLN A 76 -27.528 -9.786 -5.676 1.00 0.00 N ATOM 1202 CA GLN A 76 -28.841 -9.153 -5.643 1.00 0.00 C ATOM 1203 C GLN A 76 -29.379 -9.089 -4.221 1.00 0.00 C ATOM 1204 O GLN A 76 -30.044 -8.121 -3.848 1.00 0.00 O ATOM 1205 CB GLN A 76 -29.823 -9.930 -6.517 1.00 0.00 C ATOM 1206 CG GLN A 76 -29.418 -10.017 -7.976 1.00 0.00 C ATOM 1207 CD GLN A 76 -30.352 -10.900 -8.775 1.00 0.00 C ATOM 1208 OE1 GLN A 76 -30.909 -11.867 -8.253 1.00 0.00 O ATOM 1209 NE2 GLN A 76 -30.546 -10.565 -10.038 1.00 0.00 N ATOM 0 H GLN A 76 -27.504 -10.669 -6.187 1.00 0.00 H new ATOM 0 HA GLN A 76 -28.733 -8.138 -6.025 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -29.927 -10.939 -6.119 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -30.804 -9.459 -6.451 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -29.407 -9.017 -8.409 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -28.402 -10.406 -8.047 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -30.064 -9.756 -10.431 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -31.177 -11.115 -10.620 1.00 0.00 H new ATOM 1218 N ALA A 77 -29.077 -10.132 -3.443 1.00 0.00 N ATOM 1219 CA ALA A 77 -29.546 -10.260 -2.067 1.00 0.00 C ATOM 1220 C ALA A 77 -31.059 -10.455 -2.023 1.00 0.00 C ATOM 1221 O ALA A 77 -31.714 -10.567 -3.060 1.00 0.00 O ATOM 1222 CB ALA A 77 -29.124 -9.059 -1.232 1.00 0.00 C ATOM 0 H ALA A 77 -28.498 -10.912 -3.754 1.00 0.00 H new ATOM 0 HA ALA A 77 -29.081 -11.146 -1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -29.486 -9.180 -0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -28.037 -8.985 -1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -29.546 -8.151 -1.662 1.00 0.00 H new ATOM 1228 N LEU A 78 -31.609 -10.517 -0.822 1.00 0.00 N ATOM 1229 CA LEU A 78 -33.039 -10.701 -0.664 1.00 0.00 C ATOM 1230 C LEU A 78 -33.675 -9.450 -0.082 1.00 0.00 C ATOM 1231 O LEU A 78 -33.704 -9.263 1.136 1.00 0.00 O ATOM 1232 CB LEU A 78 -33.342 -11.910 0.227 1.00 0.00 C ATOM 1233 CG LEU A 78 -32.907 -13.264 -0.339 1.00 0.00 C ATOM 1234 CD1 LEU A 78 -33.269 -14.385 0.625 1.00 0.00 C ATOM 1235 CD2 LEU A 78 -33.545 -13.504 -1.700 1.00 0.00 C ATOM 0 H LEU A 78 -31.089 -10.443 0.053 1.00 0.00 H new ATOM 0 HA LEU A 78 -33.465 -10.887 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -32.853 -11.763 1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -34.415 -11.941 0.416 1.00 0.00 H new ATOM 0 HG LEU A 78 -31.824 -13.253 -0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -32.953 -15.341 0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -32.766 -14.222 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -34.348 -14.397 0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -33.224 -14.471 -2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -34.630 -13.495 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -33.238 -12.718 -2.390 1.00 0.00 H new ATOM 1247 N GLU A 79 -34.152 -8.577 -0.960 1.00 0.00 N ATOM 1248 CA GLU A 79 -34.866 -7.387 -0.527 1.00 0.00 C ATOM 1249 C GLU A 79 -36.161 -7.800 0.162 1.00 0.00 C ATOM 1250 O GLU A 79 -36.849 -8.719 -0.289 1.00 0.00 O ATOM 1251 CB GLU A 79 -35.149 -6.458 -1.717 1.00 0.00 C ATOM 1252 CG GLU A 79 -35.864 -5.171 -1.326 1.00 0.00 C ATOM 1253 CD GLU A 79 -35.900 -4.145 -2.441 1.00 0.00 C ATOM 1254 OE1 GLU A 79 -36.763 -4.253 -3.332 1.00 0.00 O ATOM 1255 OE2 GLU A 79 -35.074 -3.207 -2.416 1.00 0.00 O ATOM 0 H GLU A 79 -34.057 -8.671 -1.971 1.00 0.00 H new ATOM 0 HA GLU A 79 -34.247 -6.835 0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -34.207 -6.207 -2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -35.754 -6.993 -2.449 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -36.885 -5.407 -1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -35.368 -4.737 -0.458 1.00 0.00 H new ATOM 1262 N HIS A 80 -36.482 -7.126 1.260 1.00 0.00 N ATOM 1263 CA HIS A 80 -37.650 -7.479 2.062 1.00 0.00 C ATOM 1264 C HIS A 80 -38.932 -7.035 1.362 1.00 0.00 C ATOM 1265 O HIS A 80 -40.038 -7.300 1.832 1.00 0.00 O ATOM 1266 CB HIS A 80 -37.543 -6.840 3.452 1.00 0.00 C ATOM 1267 CG HIS A 80 -38.489 -7.417 4.463 1.00 0.00 C ATOM 1268 ND1 HIS A 80 -39.494 -6.690 5.063 1.00 0.00 N ATOM 1269 CD2 HIS A 80 -38.563 -8.661 4.996 1.00 0.00 C ATOM 1270 CE1 HIS A 80 -40.141 -7.457 5.919 1.00 0.00 C ATOM 1271 NE2 HIS A 80 -39.597 -8.655 5.896 1.00 0.00 N ATOM 0 H HIS A 80 -35.951 -6.332 1.616 1.00 0.00 H new ATOM 0 HA HIS A 80 -37.684 -8.562 2.178 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -36.522 -6.956 3.817 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -37.730 -5.770 3.364 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -37.926 -9.500 4.756 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -40.975 -7.153 6.534 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -39.897 -9.452 6.458 1.00 0.00 H new ATOM 1280 N HIS A 81 -38.768 -6.363 0.233 1.00 0.00 N ATOM 1281 CA HIS A 81 -39.892 -5.928 -0.577 1.00 0.00 C ATOM 1282 C HIS A 81 -39.854 -6.607 -1.936 1.00 0.00 C ATOM 1283 O HIS A 81 -38.800 -6.685 -2.569 1.00 0.00 O ATOM 1284 CB HIS A 81 -39.867 -4.409 -0.781 1.00 0.00 C ATOM 1285 CG HIS A 81 -40.205 -3.611 0.439 1.00 0.00 C ATOM 1286 ND1 HIS A 81 -39.291 -2.813 1.091 1.00 0.00 N ATOM 1287 CD2 HIS A 81 -41.373 -3.462 1.104 1.00 0.00 C ATOM 1288 CE1 HIS A 81 -39.883 -2.208 2.103 1.00 0.00 C ATOM 1289 NE2 HIS A 81 -41.148 -2.581 2.133 1.00 0.00 N ATOM 0 H HIS A 81 -37.856 -6.106 -0.145 1.00 0.00 H new ATOM 0 HA HIS A 81 -40.806 -6.202 -0.051 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -38.875 -4.118 -1.126 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -40.569 -4.151 -1.574 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -42.309 -3.946 0.869 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -39.411 -1.522 2.791 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -41.844 -2.267 2.809 1.00 0.00 H new ATOM 1298 N HIS A 82 -40.994 -7.112 -2.377 1.00 0.00 N ATOM 1299 CA HIS A 82 -41.115 -7.632 -3.731 1.00 0.00 C ATOM 1300 C HIS A 82 -41.133 -6.468 -4.707 1.00 0.00 C ATOM 1301 O HIS A 82 -40.641 -6.566 -5.829 1.00 0.00 O ATOM 1302 CB HIS A 82 -42.376 -8.484 -3.882 1.00 0.00 C ATOM 1303 CG HIS A 82 -42.308 -9.779 -3.134 1.00 0.00 C ATOM 1304 ND1 HIS A 82 -42.729 -9.920 -1.832 1.00 0.00 N ATOM 1305 CD2 HIS A 82 -41.855 -10.995 -3.513 1.00 0.00 C ATOM 1306 CE1 HIS A 82 -42.537 -11.164 -1.441 1.00 0.00 C ATOM 1307 NE2 HIS A 82 -42.008 -11.839 -2.444 1.00 0.00 N ATOM 0 H HIS A 82 -41.847 -7.173 -1.821 1.00 0.00 H new ATOM 0 HA HIS A 82 -40.261 -8.274 -3.945 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -43.236 -7.914 -3.530 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -42.542 -8.691 -4.939 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -41.448 -11.254 -4.479 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -42.773 -11.563 -0.465 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -41.755 -12.827 -2.427 1.00 0.00 H new ATOM 1316 N HIS A 83 -41.711 -5.364 -4.259 1.00 0.00 N ATOM 1317 CA HIS A 83 -41.639 -4.109 -4.983 1.00 0.00 C ATOM 1318 C HIS A 83 -40.996 -3.058 -4.093 1.00 0.00 C ATOM 1319 O HIS A 83 -41.518 -2.732 -3.025 1.00 0.00 O ATOM 1320 CB HIS A 83 -43.025 -3.669 -5.456 1.00 0.00 C ATOM 1321 CG HIS A 83 -43.556 -4.523 -6.564 1.00 0.00 C ATOM 1322 ND1 HIS A 83 -44.552 -5.461 -6.389 1.00 0.00 N ATOM 1323 CD2 HIS A 83 -43.203 -4.594 -7.868 1.00 0.00 C ATOM 1324 CE1 HIS A 83 -44.786 -6.069 -7.537 1.00 0.00 C ATOM 1325 NE2 HIS A 83 -43.982 -5.561 -8.448 1.00 0.00 N ATOM 0 H HIS A 83 -42.240 -5.315 -3.388 1.00 0.00 H new ATOM 0 HA HIS A 83 -41.026 -4.240 -5.875 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -43.718 -3.700 -4.615 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -42.978 -2.633 -5.792 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -42.448 -3.999 -8.360 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -45.513 -6.850 -7.701 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -43.945 -5.842 -9.428 1.00 0.00 H new ATOM 1334 N HIS A 84 -39.859 -2.547 -4.551 1.00 0.00 N ATOM 1335 CA HIS A 84 -38.982 -1.693 -3.749 1.00 0.00 C ATOM 1336 C HIS A 84 -39.705 -0.480 -3.169 1.00 0.00 C ATOM 1337 O HIS A 84 -39.409 -0.073 -2.048 1.00 0.00 O ATOM 1338 CB HIS A 84 -37.792 -1.242 -4.605 1.00 0.00 C ATOM 1339 CG HIS A 84 -36.843 -0.313 -3.909 1.00 0.00 C ATOM 1340 ND1 HIS A 84 -35.831 -0.748 -3.082 1.00 0.00 N ATOM 1341 CD2 HIS A 84 -36.754 1.037 -3.928 1.00 0.00 C ATOM 1342 CE1 HIS A 84 -35.165 0.294 -2.623 1.00 0.00 C ATOM 1343 NE2 HIS A 84 -35.703 1.388 -3.122 1.00 0.00 N ATOM 0 H HIS A 84 -39.515 -2.713 -5.497 1.00 0.00 H new ATOM 0 HA HIS A 84 -38.635 -2.283 -2.901 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -37.242 -2.124 -4.934 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -38.171 -0.750 -5.501 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -35.628 -1.723 -2.860 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -37.393 1.713 -4.477 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -34.320 0.257 -1.951 1.00 0.00 H new ATOM 1352 N HIS A 85 -40.640 0.085 -3.932 1.00 0.00 N ATOM 1353 CA HIS A 85 -41.360 1.290 -3.515 1.00 0.00 C ATOM 1354 C HIS A 85 -40.412 2.492 -3.511 1.00 0.00 C ATOM 1355 O HIS A 85 -39.833 2.809 -2.454 1.00 0.00 O ATOM 1356 CB HIS A 85 -42.015 1.090 -2.133 1.00 0.00 C ATOM 1357 CG HIS A 85 -42.648 2.322 -1.554 1.00 0.00 C ATOM 1358 ND1 HIS A 85 -42.123 2.991 -0.469 1.00 0.00 N ATOM 1359 CD2 HIS A 85 -43.772 2.995 -1.899 1.00 0.00 C ATOM 1360 CE1 HIS A 85 -42.893 4.021 -0.174 1.00 0.00 C ATOM 1361 NE2 HIS A 85 -43.898 4.046 -1.026 1.00 0.00 N ATOM 1362 OXT HIS A 85 -40.240 3.106 -4.583 1.00 0.00 O ATOM 0 H HIS A 85 -40.918 -0.273 -4.846 1.00 0.00 H new ATOM 0 HA HIS A 85 -42.159 1.485 -4.230 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -42.774 0.312 -2.215 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -41.259 0.725 -1.437 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -44.443 2.750 -2.709 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -42.728 4.724 0.629 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -44.649 4.736 -1.035 1.00 0.00 H new TER 1371 HIS A 85