USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 677 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 20 GLN : amide:sc= -6.89! C(o=-53!,f=-61!) USER MOD Set 1.2: A 66 ASN :FLIP amide:sc= -6.49! C(o=-54!,f=-53!) USER MOD Set 1.3: A 78 ASN : amide:sc= -39.7! C(o=-53!,f=-65!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.677 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -4.24! C(o=-4.2!,f=-7.3!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.0148 F(o=-0.72,f=-0.015) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -1.64! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -59:sc= 0.299 USER MOD Single : A 43 SER OG : rot 12:sc= 1.29 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= -0.0651 (180deg=-0.507) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 156:sc= -0.184 (180deg=-0.794) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.241 K(o=-0.24,f=-2.8!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0778 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00506) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0412 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -16.1! C(o=-17!,f=-16!) USER MOD Single : A 80 THR OG1 : rot -29:sc= -5.09! USER MOD Single : A 83 HIS : no HE2:sc= -2.99! C(o=-3!,f=-3.4!) USER MOD Single : A 85 SER OG : rot -95:sc= 0.52 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0448 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.51 K(o=-0.51,f=-2.1) USER MOD Single : A 91 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.29) USER MOD Single : A 92 SER OG : rot 15:sc= 0.484 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.192 13.034 17.580 1.00 0.00 N ATOM 2 CA ALA A 1 -1.615 13.065 17.151 1.00 0.00 C ATOM 3 C ALA A 1 -2.177 11.653 17.016 1.00 0.00 C ATOM 4 O ALA A 1 -1.990 10.994 15.994 1.00 0.00 O ATOM 5 CB ALA A 1 -1.754 13.816 15.835 1.00 0.00 C ATOM 0 H1 ALA A 1 0.166 14.007 17.664 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.117 12.556 18.501 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.372 12.517 16.875 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.188 13.587 17.917 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.801 13.831 15.533 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.398 14.839 15.960 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.162 13.317 15.067 1.00 0.00 H new ATOM 13 N PRO A 2 -2.876 11.173 18.055 1.00 0.00 N ATOM 14 CA PRO A 2 -3.472 9.833 18.062 1.00 0.00 C ATOM 15 C PRO A 2 -4.510 9.657 16.960 1.00 0.00 C ATOM 16 O PRO A 2 -5.713 9.741 17.207 1.00 0.00 O ATOM 17 CB PRO A 2 -4.137 9.735 19.441 1.00 0.00 C ATOM 18 CG PRO A 2 -3.495 10.800 20.263 1.00 0.00 C ATOM 19 CD PRO A 2 -3.138 11.900 19.306 1.00 0.00 C ATOM 0 HA PRO A 2 -2.726 9.059 17.882 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -5.214 9.888 19.370 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -3.983 8.751 19.883 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -4.174 11.160 21.036 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -2.608 10.420 20.770 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -3.951 12.618 19.194 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -2.263 12.458 19.640 1.00 0.00 H new ATOM 27 N ASP A 3 -4.036 9.412 15.743 1.00 0.00 N ATOM 28 CA ASP A 3 -4.923 9.223 14.602 1.00 0.00 C ATOM 29 C ASP A 3 -4.252 8.373 13.529 1.00 0.00 C ATOM 30 O ASP A 3 -3.040 8.156 13.562 1.00 0.00 O ATOM 31 CB ASP A 3 -5.329 10.577 14.018 1.00 0.00 C ATOM 32 CG ASP A 3 -4.254 11.629 14.205 1.00 0.00 C ATOM 33 OD1 ASP A 3 -3.087 11.354 13.859 1.00 0.00 O ATOM 34 OD2 ASP A 3 -4.580 12.728 14.701 1.00 0.00 O ATOM 0 H ASP A 3 -3.043 9.340 15.522 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.816 8.702 14.947 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.542 10.463 12.955 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -6.250 10.914 14.493 1.00 0.00 H new ATOM 39 N VAL A 4 -5.045 7.890 12.579 1.00 0.00 N ATOM 40 CA VAL A 4 -4.523 7.061 11.499 1.00 0.00 C ATOM 41 C VAL A 4 -5.626 6.677 10.519 1.00 0.00 C ATOM 42 O VAL A 4 -6.377 5.731 10.755 1.00 0.00 O ATOM 43 CB VAL A 4 -3.867 5.777 12.044 1.00 0.00 C ATOM 44 CG1 VAL A 4 -2.352 5.903 12.030 1.00 0.00 C ATOM 45 CG2 VAL A 4 -4.370 5.472 13.447 1.00 0.00 C ATOM 0 H VAL A 4 -6.050 8.058 12.535 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.770 7.654 10.980 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.146 4.947 11.395 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.907 4.987 12.418 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.010 6.068 11.008 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.051 6.745 12.653 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.895 4.562 13.814 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.125 6.302 14.110 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.451 5.333 13.424 1.00 0.00 H new ATOM 55 N GLN A 5 -5.717 7.416 9.419 1.00 0.00 N ATOM 56 CA GLN A 5 -6.729 7.150 8.404 1.00 0.00 C ATOM 57 C GLN A 5 -6.650 8.173 7.275 1.00 0.00 C ATOM 58 O GLN A 5 -5.949 9.179 7.382 1.00 0.00 O ATOM 59 CB GLN A 5 -8.125 7.167 9.030 1.00 0.00 C ATOM 60 CG GLN A 5 -8.650 8.565 9.314 1.00 0.00 C ATOM 61 CD GLN A 5 -9.594 8.600 10.499 1.00 0.00 C ATOM 62 OE1 GLN A 5 -9.220 9.019 11.595 1.00 0.00 O ATOM 63 NE2 GLN A 5 -10.827 8.157 10.286 1.00 0.00 N ATOM 0 H GLN A 5 -5.103 8.203 9.208 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.539 6.161 7.986 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.819 6.656 8.363 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.103 6.601 9.961 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.810 9.234 9.503 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.166 8.942 8.431 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.095 7.819 9.362 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.507 8.155 11.047 1.00 0.00 H new ATOM 72 N ASP A 6 -7.374 7.909 6.193 1.00 0.00 N ATOM 73 CA ASP A 6 -7.386 8.805 5.043 1.00 0.00 C ATOM 74 C ASP A 6 -6.040 8.788 4.322 1.00 0.00 C ATOM 75 O ASP A 6 -5.042 9.292 4.838 1.00 0.00 O ATOM 76 CB ASP A 6 -7.721 10.231 5.485 1.00 0.00 C ATOM 77 CG ASP A 6 -9.134 10.637 5.113 1.00 0.00 C ATOM 78 OD1 ASP A 6 -9.370 10.950 3.927 1.00 0.00 O ATOM 79 OD2 ASP A 6 -10.005 10.642 6.008 1.00 0.00 O ATOM 0 H ASP A 6 -7.961 7.081 6.088 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.152 8.455 4.351 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.595 10.312 6.565 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.015 10.925 5.029 1.00 0.00 H new ATOM 84 N CYS A 7 -6.024 8.207 3.126 1.00 0.00 N ATOM 85 CA CYS A 7 -4.805 8.124 2.330 1.00 0.00 C ATOM 86 C CYS A 7 -5.066 7.397 1.014 1.00 0.00 C ATOM 87 O CYS A 7 -5.869 6.466 0.957 1.00 0.00 O ATOM 88 CB CYS A 7 -3.699 7.413 3.122 1.00 0.00 C ATOM 89 SG CYS A 7 -3.123 5.846 2.384 1.00 0.00 S ATOM 0 H CYS A 7 -6.843 7.786 2.687 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.476 9.138 2.101 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.849 8.088 3.219 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.063 7.213 4.130 1.00 0.00 H new ATOM 94 N PRO A 8 -4.383 7.814 -0.062 1.00 0.00 N ATOM 95 CA PRO A 8 -4.537 7.201 -1.386 1.00 0.00 C ATOM 96 C PRO A 8 -4.087 5.743 -1.397 1.00 0.00 C ATOM 97 O PRO A 8 -3.142 5.371 -0.701 1.00 0.00 O ATOM 98 CB PRO A 8 -3.629 8.047 -2.290 1.00 0.00 C ATOM 99 CG PRO A 8 -3.367 9.300 -1.525 1.00 0.00 C ATOM 100 CD PRO A 8 -3.408 8.914 -0.076 1.00 0.00 C ATOM 0 HA PRO A 8 -5.578 7.187 -1.708 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.700 7.523 -2.515 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.113 8.262 -3.243 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.398 9.723 -1.789 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.118 10.058 -1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.431 8.594 0.285 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.725 9.744 0.555 1.00 0.00 H new ATOM 108 N GLU A 9 -4.769 4.920 -2.187 1.00 0.00 N ATOM 109 CA GLU A 9 -4.438 3.503 -2.284 1.00 0.00 C ATOM 110 C GLU A 9 -2.932 3.298 -2.387 1.00 0.00 C ATOM 111 O GLU A 9 -2.280 3.850 -3.274 1.00 0.00 O ATOM 112 CB GLU A 9 -5.125 2.877 -3.500 1.00 0.00 C ATOM 113 CG GLU A 9 -5.023 1.361 -3.542 1.00 0.00 C ATOM 114 CD GLU A 9 -4.978 0.821 -4.959 1.00 0.00 C ATOM 115 OE1 GLU A 9 -4.108 1.267 -5.737 1.00 0.00 O ATOM 116 OE2 GLU A 9 -5.812 -0.049 -5.289 1.00 0.00 O ATOM 0 H GLU A 9 -5.554 5.210 -2.769 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.795 3.015 -1.377 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.177 3.162 -3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.684 3.288 -4.408 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.127 1.045 -3.008 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.875 0.928 -3.018 1.00 0.00 H new ATOM 123 N CYS A 10 -2.384 2.495 -1.482 1.00 0.00 N ATOM 124 CA CYS A 10 -0.953 2.214 -1.484 1.00 0.00 C ATOM 125 C CYS A 10 -0.486 1.859 -2.891 1.00 0.00 C ATOM 126 O CYS A 10 -1.286 1.446 -3.731 1.00 0.00 O ATOM 127 CB CYS A 10 -0.629 1.076 -0.512 1.00 0.00 C ATOM 128 SG CYS A 10 -0.372 -0.544 -1.308 1.00 0.00 S ATOM 0 H CYS A 10 -2.906 2.029 -0.740 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.424 3.109 -1.156 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.268 1.338 0.049 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.442 0.988 0.209 1.00 0.00 H new ATOM 133 N THR A 11 0.807 2.026 -3.150 1.00 0.00 N ATOM 134 CA THR A 11 1.356 1.726 -4.466 1.00 0.00 C ATOM 135 C THR A 11 2.872 1.827 -4.469 1.00 0.00 C ATOM 136 O THR A 11 3.454 2.593 -3.701 1.00 0.00 O ATOM 137 CB THR A 11 0.799 2.701 -5.498 1.00 0.00 C ATOM 138 OG1 THR A 11 -0.034 3.665 -4.880 1.00 0.00 O ATOM 139 CG2 THR A 11 -0.003 2.036 -6.589 1.00 0.00 C ATOM 0 H THR A 11 1.489 2.365 -2.471 1.00 0.00 H new ATOM 0 HA THR A 11 1.069 0.705 -4.717 1.00 0.00 H new ATOM 0 HB THR A 11 1.675 3.165 -5.951 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.380 4.282 -5.559 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.367 2.792 -7.285 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.628 1.325 -7.122 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.850 1.511 -6.149 1.00 0.00 H new ATOM 147 N LEU A 12 3.508 1.077 -5.359 1.00 0.00 N ATOM 148 CA LEU A 12 4.954 1.124 -5.474 1.00 0.00 C ATOM 149 C LEU A 12 5.369 2.440 -6.071 1.00 0.00 C ATOM 150 O LEU A 12 4.816 2.881 -7.079 1.00 0.00 O ATOM 151 CB LEU A 12 5.483 0.000 -6.347 1.00 0.00 C ATOM 152 CG LEU A 12 5.593 -1.349 -5.660 1.00 0.00 C ATOM 153 CD1 LEU A 12 4.354 -1.619 -4.837 1.00 0.00 C ATOM 154 CD2 LEU A 12 5.805 -2.418 -6.708 1.00 0.00 C ATOM 0 H LEU A 12 3.048 0.435 -6.005 1.00 0.00 H new ATOM 0 HA LEU A 12 5.371 1.009 -4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.831 -0.103 -7.215 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.468 0.282 -6.720 1.00 0.00 H new ATOM 0 HG LEU A 12 6.444 -1.353 -4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.445 -2.590 -4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.243 -0.842 -4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.479 -1.620 -5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.885 -3.391 -6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.961 -2.424 -7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.722 -2.210 -7.259 1.00 0.00 H new ATOM 166 N GLN A 13 6.339 3.071 -5.454 1.00 0.00 N ATOM 167 CA GLN A 13 6.807 4.340 -5.949 1.00 0.00 C ATOM 168 C GLN A 13 8.195 4.215 -6.503 1.00 0.00 C ATOM 169 O GLN A 13 9.128 4.910 -6.102 1.00 0.00 O ATOM 170 CB GLN A 13 6.728 5.381 -4.873 1.00 0.00 C ATOM 171 CG GLN A 13 5.322 5.512 -4.324 1.00 0.00 C ATOM 172 CD GLN A 13 4.682 6.850 -4.632 1.00 0.00 C ATOM 173 OE1 GLN A 13 5.079 7.883 -4.091 1.00 0.00 O ATOM 174 NE2 GLN A 13 3.678 6.834 -5.506 1.00 0.00 N ATOM 0 H GLN A 13 6.814 2.731 -4.618 1.00 0.00 H new ATOM 0 HA GLN A 13 6.160 4.659 -6.766 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.412 5.122 -4.065 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.054 6.342 -5.271 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.702 4.717 -4.738 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.346 5.368 -3.244 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.384 5.954 -5.929 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.203 7.702 -5.753 1.00 0.00 H new ATOM 183 N GLU A 14 8.280 3.296 -7.430 1.00 0.00 N ATOM 184 CA GLU A 14 9.514 2.967 -8.127 1.00 0.00 C ATOM 185 C GLU A 14 10.655 3.833 -7.649 1.00 0.00 C ATOM 186 O GLU A 14 10.606 5.061 -7.716 1.00 0.00 O ATOM 187 CB GLU A 14 9.350 3.106 -9.635 1.00 0.00 C ATOM 188 CG GLU A 14 9.922 1.936 -10.423 1.00 0.00 C ATOM 189 CD GLU A 14 8.845 1.071 -11.050 1.00 0.00 C ATOM 190 OE1 GLU A 14 8.133 0.371 -10.300 1.00 0.00 O ATOM 191 OE2 GLU A 14 8.715 1.094 -12.292 1.00 0.00 O ATOM 0 H GLU A 14 7.481 2.739 -7.734 1.00 0.00 H new ATOM 0 HA GLU A 14 9.748 1.927 -7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.290 3.206 -9.869 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.837 4.025 -9.961 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.578 2.316 -11.206 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.536 1.323 -9.762 1.00 0.00 H new ATOM 198 N ASN A 15 11.665 3.168 -7.146 1.00 0.00 N ATOM 199 CA ASN A 15 12.834 3.826 -6.609 1.00 0.00 C ATOM 200 C ASN A 15 13.718 4.435 -7.680 1.00 0.00 C ATOM 201 O ASN A 15 14.467 3.735 -8.361 1.00 0.00 O ATOM 202 CB ASN A 15 13.645 2.847 -5.778 1.00 0.00 C ATOM 203 CG ASN A 15 13.876 3.345 -4.372 1.00 0.00 C ATOM 204 OD1 ASN A 15 14.709 4.218 -4.133 1.00 0.00 O ATOM 205 ND2 ASN A 15 13.132 2.786 -3.437 1.00 0.00 N ATOM 0 H ASN A 15 11.701 2.150 -7.096 1.00 0.00 H new ATOM 0 HA ASN A 15 12.473 4.645 -5.987 1.00 0.00 H new ATOM 0 HB2 ASN A 15 13.127 1.889 -5.741 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.606 2.672 -6.262 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.234 3.074 -2.464 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.455 2.066 -3.687 1.00 0.00 H new ATOM 212 N PRO A 16 13.698 5.769 -7.786 1.00 0.00 N ATOM 213 CA PRO A 16 14.551 6.488 -8.708 1.00 0.00 C ATOM 214 C PRO A 16 15.914 6.658 -8.061 1.00 0.00 C ATOM 215 O PRO A 16 16.760 7.434 -8.507 1.00 0.00 O ATOM 216 CB PRO A 16 13.840 7.829 -8.881 1.00 0.00 C ATOM 217 CG PRO A 16 13.020 8.020 -7.641 1.00 0.00 C ATOM 218 CD PRO A 16 12.901 6.680 -6.952 1.00 0.00 C ATOM 0 HA PRO A 16 14.709 5.991 -9.665 1.00 0.00 H new ATOM 0 HB2 PRO A 16 14.558 8.640 -9.003 1.00 0.00 H new ATOM 0 HB3 PRO A 16 13.209 7.825 -9.770 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.491 8.748 -6.981 1.00 0.00 H new ATOM 0 HG3 PRO A 16 12.033 8.409 -7.892 1.00 0.00 H new ATOM 0 HD2 PRO A 16 13.283 6.722 -5.932 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.862 6.356 -6.890 1.00 0.00 H new ATOM 226 N PHE A 17 16.082 5.908 -6.975 1.00 0.00 N ATOM 227 CA PHE A 17 17.288 5.908 -6.177 1.00 0.00 C ATOM 228 C PHE A 17 18.065 4.614 -6.377 1.00 0.00 C ATOM 229 O PHE A 17 19.215 4.614 -6.818 1.00 0.00 O ATOM 230 CB PHE A 17 16.895 6.024 -4.702 1.00 0.00 C ATOM 231 CG PHE A 17 17.942 6.659 -3.839 1.00 0.00 C ATOM 232 CD1 PHE A 17 18.974 7.390 -4.401 1.00 0.00 C ATOM 233 CD2 PHE A 17 17.890 6.525 -2.463 1.00 0.00 C ATOM 234 CE1 PHE A 17 19.937 7.979 -3.603 1.00 0.00 C ATOM 235 CE2 PHE A 17 18.850 7.110 -1.659 1.00 0.00 C ATOM 236 CZ PHE A 17 19.875 7.839 -2.230 1.00 0.00 C ATOM 0 H PHE A 17 15.365 5.273 -6.625 1.00 0.00 H new ATOM 0 HA PHE A 17 17.916 6.746 -6.480 1.00 0.00 H new ATOM 0 HB2 PHE A 17 15.976 6.605 -4.626 1.00 0.00 H new ATOM 0 HB3 PHE A 17 16.676 5.029 -4.316 1.00 0.00 H new ATOM 0 HD1 PHE A 17 19.028 7.501 -5.474 1.00 0.00 H new ATOM 0 HD2 PHE A 17 17.090 5.957 -2.012 1.00 0.00 H new ATOM 0 HE1 PHE A 17 20.737 8.548 -4.053 1.00 0.00 H new ATOM 0 HE2 PHE A 17 18.799 6.997 -0.586 1.00 0.00 H new ATOM 0 HZ PHE A 17 20.626 8.298 -1.605 1.00 0.00 H new ATOM 246 N PHE A 18 17.416 3.515 -6.017 1.00 0.00 N ATOM 247 CA PHE A 18 18.006 2.188 -6.110 1.00 0.00 C ATOM 248 C PHE A 18 18.032 1.668 -7.542 1.00 0.00 C ATOM 249 O PHE A 18 18.673 0.655 -7.822 1.00 0.00 O ATOM 250 CB PHE A 18 17.213 1.229 -5.228 1.00 0.00 C ATOM 251 CG PHE A 18 17.002 1.747 -3.838 1.00 0.00 C ATOM 252 CD1 PHE A 18 17.865 2.687 -3.308 1.00 0.00 C ATOM 253 CD2 PHE A 18 15.940 1.305 -3.068 1.00 0.00 C ATOM 254 CE1 PHE A 18 17.679 3.179 -2.031 1.00 0.00 C ATOM 255 CE2 PHE A 18 15.746 1.793 -1.788 1.00 0.00 C ATOM 256 CZ PHE A 18 16.617 2.731 -1.270 1.00 0.00 C ATOM 0 H PHE A 18 16.464 3.519 -5.652 1.00 0.00 H new ATOM 0 HA PHE A 18 19.040 2.254 -5.771 1.00 0.00 H new ATOM 0 HB2 PHE A 18 16.244 1.038 -5.689 1.00 0.00 H new ATOM 0 HB3 PHE A 18 17.736 0.274 -5.178 1.00 0.00 H new ATOM 0 HD1 PHE A 18 18.696 3.042 -3.900 1.00 0.00 H new ATOM 0 HD2 PHE A 18 15.256 0.572 -3.470 1.00 0.00 H new ATOM 0 HE1 PHE A 18 18.362 3.912 -1.628 1.00 0.00 H new ATOM 0 HE2 PHE A 18 14.915 1.441 -1.195 1.00 0.00 H new ATOM 0 HZ PHE A 18 16.468 3.114 -0.271 1.00 0.00 H new ATOM 266 N SER A 19 17.328 2.350 -8.440 1.00 0.00 N ATOM 267 CA SER A 19 17.267 1.941 -9.836 1.00 0.00 C ATOM 268 C SER A 19 18.399 0.993 -10.182 1.00 0.00 C ATOM 269 O SER A 19 19.569 1.256 -9.904 1.00 0.00 O ATOM 270 CB SER A 19 17.306 3.148 -10.764 1.00 0.00 C ATOM 271 OG SER A 19 17.495 2.747 -12.111 1.00 0.00 O ATOM 0 H SER A 19 16.791 3.190 -8.224 1.00 0.00 H new ATOM 0 HA SER A 19 16.320 1.420 -9.977 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.376 3.710 -10.675 1.00 0.00 H new ATOM 0 HB3 SER A 19 18.113 3.817 -10.463 1.00 0.00 H new ATOM 0 HG SER A 19 17.515 3.539 -12.688 1.00 0.00 H new ATOM 277 N GLN A 20 18.024 -0.110 -10.792 1.00 0.00 N ATOM 278 CA GLN A 20 18.973 -1.136 -11.199 1.00 0.00 C ATOM 279 C GLN A 20 18.923 -1.347 -12.707 1.00 0.00 C ATOM 280 O GLN A 20 17.914 -1.058 -13.350 1.00 0.00 O ATOM 281 CB GLN A 20 18.671 -2.450 -10.473 1.00 0.00 C ATOM 282 CG GLN A 20 17.493 -3.214 -11.055 1.00 0.00 C ATOM 283 CD GLN A 20 16.970 -4.277 -10.110 1.00 0.00 C ATOM 284 OE1 GLN A 20 15.942 -4.094 -9.457 1.00 0.00 O ATOM 285 NE2 GLN A 20 17.679 -5.396 -10.029 1.00 0.00 N ATOM 0 H GLN A 20 17.054 -0.326 -11.022 1.00 0.00 H new ATOM 0 HA GLN A 20 19.976 -0.804 -10.930 1.00 0.00 H new ATOM 0 HB2 GLN A 20 19.556 -3.085 -10.506 1.00 0.00 H new ATOM 0 HB3 GLN A 20 18.471 -2.237 -9.423 1.00 0.00 H new ATOM 0 HG2 GLN A 20 16.691 -2.515 -11.291 1.00 0.00 H new ATOM 0 HG3 GLN A 20 17.794 -3.681 -11.992 1.00 0.00 H new ATOM 0 HE21 GLN A 20 18.525 -5.505 -10.588 1.00 0.00 H new ATOM 0 HE22 GLN A 20 17.378 -6.147 -9.407 1.00 0.00 H new ATOM 294 N PRO A 21 20.019 -1.855 -13.289 1.00 0.00 N ATOM 295 CA PRO A 21 20.107 -2.107 -14.731 1.00 0.00 C ATOM 296 C PRO A 21 18.939 -2.944 -15.245 1.00 0.00 C ATOM 297 O PRO A 21 19.094 -4.128 -15.542 1.00 0.00 O ATOM 298 CB PRO A 21 21.424 -2.874 -14.878 1.00 0.00 C ATOM 299 CG PRO A 21 22.236 -2.465 -13.698 1.00 0.00 C ATOM 300 CD PRO A 21 21.257 -2.222 -12.582 1.00 0.00 C ATOM 0 HA PRO A 21 20.070 -1.184 -15.310 1.00 0.00 H new ATOM 0 HB2 PRO A 21 21.256 -3.951 -14.888 1.00 0.00 H new ATOM 0 HB3 PRO A 21 21.927 -2.621 -15.811 1.00 0.00 H new ATOM 0 HG2 PRO A 21 22.950 -3.243 -13.428 1.00 0.00 H new ATOM 0 HG3 PRO A 21 22.812 -1.565 -13.914 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.120 -3.111 -11.967 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.593 -1.425 -11.919 1.00 0.00 H new ATOM 308 N GLY A 22 17.769 -2.319 -15.344 1.00 0.00 N ATOM 309 CA GLY A 22 16.590 -3.020 -15.817 1.00 0.00 C ATOM 310 C GLY A 22 15.401 -2.837 -14.897 1.00 0.00 C ATOM 311 O GLY A 22 14.323 -3.378 -15.150 1.00 0.00 O ATOM 0 H GLY A 22 17.617 -1.339 -15.105 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.333 -2.662 -16.814 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.815 -4.083 -15.909 1.00 0.00 H new ATOM 315 N ALA A 23 15.595 -2.080 -13.822 1.00 0.00 N ATOM 316 CA ALA A 23 14.529 -1.837 -12.860 1.00 0.00 C ATOM 317 C ALA A 23 14.781 -0.580 -12.054 1.00 0.00 C ATOM 318 O ALA A 23 15.878 -0.353 -11.549 1.00 0.00 O ATOM 319 CB ALA A 23 14.374 -3.039 -11.943 1.00 0.00 C ATOM 0 H ALA A 23 16.480 -1.625 -13.596 1.00 0.00 H new ATOM 0 HA ALA A 23 13.602 -1.688 -13.413 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.575 -2.849 -11.226 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.128 -3.920 -12.536 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.308 -3.211 -11.408 1.00 0.00 H new ATOM 325 N PRO A 24 13.751 0.258 -11.938 1.00 0.00 N ATOM 326 CA PRO A 24 13.815 1.510 -11.213 1.00 0.00 C ATOM 327 C PRO A 24 13.423 1.353 -9.749 1.00 0.00 C ATOM 328 O PRO A 24 12.868 2.267 -9.139 1.00 0.00 O ATOM 329 CB PRO A 24 12.811 2.386 -11.973 1.00 0.00 C ATOM 330 CG PRO A 24 12.012 1.465 -12.855 1.00 0.00 C ATOM 331 CD PRO A 24 12.425 0.063 -12.519 1.00 0.00 C ATOM 0 HA PRO A 24 14.821 1.927 -11.176 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.160 2.919 -11.280 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.328 3.139 -12.568 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.944 1.602 -12.688 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.200 1.680 -13.907 1.00 0.00 H new ATOM 0 HD2 PRO A 24 11.738 -0.405 -11.815 1.00 0.00 H new ATOM 0 HD3 PRO A 24 12.458 -0.574 -13.403 1.00 0.00 H new ATOM 339 N ILE A 25 13.736 0.184 -9.200 1.00 0.00 N ATOM 340 CA ILE A 25 13.452 -0.140 -7.813 1.00 0.00 C ATOM 341 C ILE A 25 12.144 0.452 -7.332 1.00 0.00 C ATOM 342 O ILE A 25 11.469 1.148 -8.078 1.00 0.00 O ATOM 343 CB ILE A 25 14.604 0.275 -6.905 1.00 0.00 C ATOM 344 CG1 ILE A 25 15.847 -0.466 -7.354 1.00 0.00 C ATOM 345 CG2 ILE A 25 14.269 -0.100 -5.483 1.00 0.00 C ATOM 346 CD1 ILE A 25 15.537 -1.905 -7.664 1.00 0.00 C ATOM 0 H ILE A 25 14.197 -0.568 -9.712 1.00 0.00 H new ATOM 0 HA ILE A 25 13.345 -1.224 -7.762 1.00 0.00 H new ATOM 0 HB ILE A 25 14.772 1.351 -6.959 1.00 0.00 H new ATOM 0 HG12 ILE A 25 16.264 0.018 -8.237 1.00 0.00 H new ATOM 0 HG13 ILE A 25 16.607 -0.414 -6.574 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.088 0.194 -4.827 1.00 0.00 H new ATOM 0 HG22 ILE A 25 13.357 0.413 -5.177 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.119 -1.178 -5.417 1.00 0.00 H new ATOM 0 HD11 ILE A 25 16.447 -2.413 -7.984 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.144 -2.393 -6.772 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.795 -1.954 -8.461 1.00 0.00 H new ATOM 358 N LEU A 26 11.745 0.120 -6.103 1.00 0.00 N ATOM 359 CA LEU A 26 10.464 0.578 -5.593 1.00 0.00 C ATOM 360 C LEU A 26 10.355 0.559 -4.094 1.00 0.00 C ATOM 361 O LEU A 26 11.336 0.524 -3.358 1.00 0.00 O ATOM 362 CB LEU A 26 9.409 -0.348 -6.130 1.00 0.00 C ATOM 363 CG LEU A 26 9.924 -1.249 -7.225 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.127 -2.527 -7.289 1.00 0.00 C ATOM 365 CD2 LEU A 26 9.899 -0.554 -8.571 1.00 0.00 C ATOM 0 H LEU A 26 12.284 -0.455 -5.456 1.00 0.00 H new ATOM 0 HA LEU A 26 10.346 1.614 -5.910 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.020 -0.959 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.576 0.241 -6.513 1.00 0.00 H new ATOM 0 HG LEU A 26 10.959 -1.492 -6.986 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.517 -3.160 -8.086 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.205 -3.053 -6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.081 -2.294 -7.490 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.276 -1.231 -9.337 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.876 -0.266 -8.813 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.527 0.336 -8.533 1.00 0.00 H new ATOM 377 N GLN A 27 9.107 0.571 -3.677 1.00 0.00 N ATOM 378 CA GLN A 27 8.756 0.538 -2.266 1.00 0.00 C ATOM 379 C GLN A 27 7.295 0.927 -2.070 1.00 0.00 C ATOM 380 O GLN A 27 6.975 2.087 -1.812 1.00 0.00 O ATOM 381 CB GLN A 27 9.684 1.454 -1.470 1.00 0.00 C ATOM 382 CG GLN A 27 9.097 1.939 -0.154 1.00 0.00 C ATOM 383 CD GLN A 27 10.090 2.736 0.672 1.00 0.00 C ATOM 384 OE1 GLN A 27 11.330 2.265 0.728 1.00 0.00 O flip ATOM 385 NE2 GLN A 27 9.745 3.766 1.251 1.00 0.00 N flip ATOM 0 H GLN A 27 8.303 0.604 -4.304 1.00 0.00 H new ATOM 0 HA GLN A 27 8.883 -0.479 -1.895 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.614 0.924 -1.267 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.937 2.319 -2.083 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.222 2.556 -0.357 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.755 1.081 0.425 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.781 4.092 1.181 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.423 4.294 1.801 1.00 0.00 H new ATOM 394 N CYS A 28 6.413 -0.059 -2.214 1.00 0.00 N ATOM 395 CA CYS A 28 4.981 0.164 -2.071 1.00 0.00 C ATOM 396 C CYS A 28 4.705 1.250 -1.037 1.00 0.00 C ATOM 397 O CYS A 28 4.692 0.985 0.165 1.00 0.00 O ATOM 398 CB CYS A 28 4.262 -1.126 -1.670 1.00 0.00 C ATOM 399 SG CYS A 28 2.625 -1.331 -2.447 1.00 0.00 S ATOM 0 H CYS A 28 6.668 -1.023 -2.430 1.00 0.00 H new ATOM 0 HA CYS A 28 4.599 0.490 -3.038 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.889 -1.977 -1.936 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.144 -1.143 -0.587 1.00 0.00 H new ATOM 404 N MET A 29 4.492 2.472 -1.508 1.00 0.00 N ATOM 405 CA MET A 29 4.225 3.596 -0.618 1.00 0.00 C ATOM 406 C MET A 29 2.735 3.908 -0.561 1.00 0.00 C ATOM 407 O MET A 29 2.034 3.824 -1.569 1.00 0.00 O ATOM 408 CB MET A 29 5.001 4.829 -1.081 1.00 0.00 C ATOM 409 CG MET A 29 5.567 5.655 0.061 1.00 0.00 C ATOM 410 SD MET A 29 7.283 6.134 -0.217 1.00 0.00 S ATOM 411 CE MET A 29 7.126 7.915 -0.316 1.00 0.00 C ATOM 0 H MET A 29 4.499 2.711 -2.500 1.00 0.00 H new ATOM 0 HA MET A 29 4.554 3.321 0.384 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.818 4.512 -1.729 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.344 5.457 -1.682 1.00 0.00 H new ATOM 0 HG2 MET A 29 4.960 6.551 0.193 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.498 5.084 0.987 1.00 0.00 H new ATOM 0 HE1 MET A 29 8.107 8.358 -0.486 1.00 0.00 H new ATOM 0 HE2 MET A 29 6.462 8.176 -1.140 1.00 0.00 H new ATOM 0 HE3 MET A 29 6.713 8.296 0.618 1.00 0.00 H new ATOM 421 N GLY A 30 2.258 4.270 0.626 1.00 0.00 N ATOM 422 CA GLY A 30 0.853 4.590 0.794 1.00 0.00 C ATOM 423 C GLY A 30 0.189 3.739 1.858 1.00 0.00 C ATOM 424 O GLY A 30 0.807 3.402 2.868 1.00 0.00 O ATOM 0 H GLY A 30 2.820 4.347 1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.752 5.642 1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.335 4.450 -0.155 1.00 0.00 H new ATOM 428 N CYS A 31 -1.073 3.391 1.632 1.00 0.00 N ATOM 429 CA CYS A 31 -1.821 2.574 2.580 1.00 0.00 C ATOM 430 C CYS A 31 -3.111 2.057 1.952 1.00 0.00 C ATOM 431 O CYS A 31 -3.625 2.640 0.997 1.00 0.00 O ATOM 432 CB CYS A 31 -2.140 3.376 3.844 1.00 0.00 C ATOM 433 SG CYS A 31 -1.760 5.154 3.718 1.00 0.00 S ATOM 0 H CYS A 31 -1.599 3.662 0.801 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.201 1.720 2.851 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.198 3.258 4.078 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.580 2.955 4.679 1.00 0.00 H new ATOM 438 N CYS A 32 -3.626 0.957 2.492 1.00 0.00 N ATOM 439 CA CYS A 32 -4.854 0.358 1.983 1.00 0.00 C ATOM 440 C CYS A 32 -6.038 0.674 2.894 1.00 0.00 C ATOM 441 O CYS A 32 -5.899 0.719 4.116 1.00 0.00 O ATOM 442 CB CYS A 32 -4.689 -1.158 1.850 1.00 0.00 C ATOM 443 SG CYS A 32 -6.133 -2.000 1.128 1.00 0.00 S ATOM 0 H CYS A 32 -3.212 0.463 3.282 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.054 0.784 1.000 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.815 -1.365 1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.491 -1.579 2.836 1.00 0.00 H new ATOM 448 N PHE A 33 -7.203 0.890 2.289 1.00 0.00 N ATOM 449 CA PHE A 33 -8.412 1.199 3.045 1.00 0.00 C ATOM 450 C PHE A 33 -9.237 -0.060 3.296 1.00 0.00 C ATOM 451 O PHE A 33 -9.218 -0.997 2.498 1.00 0.00 O ATOM 452 CB PHE A 33 -9.262 2.243 2.310 1.00 0.00 C ATOM 453 CG PHE A 33 -9.166 2.172 0.810 1.00 0.00 C ATOM 454 CD1 PHE A 33 -9.170 0.952 0.152 1.00 0.00 C ATOM 455 CD2 PHE A 33 -9.076 3.333 0.058 1.00 0.00 C ATOM 456 CE1 PHE A 33 -9.081 0.892 -1.227 1.00 0.00 C ATOM 457 CE2 PHE A 33 -8.987 3.280 -1.320 1.00 0.00 C ATOM 458 CZ PHE A 33 -8.991 2.057 -1.963 1.00 0.00 C ATOM 0 H PHE A 33 -7.335 0.857 1.278 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.105 1.610 4.007 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.305 2.117 2.602 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.957 3.238 2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.243 0.038 0.723 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -9.075 4.292 0.556 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -9.082 -0.065 -1.728 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.914 4.193 -1.893 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.924 2.012 -3.040 1.00 0.00 H new ATOM 468 N SER A 34 -9.964 -0.074 4.409 1.00 0.00 N ATOM 469 CA SER A 34 -10.799 -1.218 4.759 1.00 0.00 C ATOM 470 C SER A 34 -11.727 -1.577 3.604 1.00 0.00 C ATOM 471 O SER A 34 -11.594 -2.636 2.993 1.00 0.00 O ATOM 472 CB SER A 34 -11.622 -0.914 6.012 1.00 0.00 C ATOM 473 OG SER A 34 -12.797 -0.191 5.685 1.00 0.00 O ATOM 0 H SER A 34 -9.992 0.692 5.082 1.00 0.00 H new ATOM 0 HA SER A 34 -10.146 -2.067 4.962 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.891 -1.846 6.510 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.021 -0.339 6.716 1.00 0.00 H new ATOM 0 HG SER A 34 -13.308 -0.010 6.502 1.00 0.00 H new ATOM 479 N ARG A 35 -12.666 -0.683 3.310 1.00 0.00 N ATOM 480 CA ARG A 35 -13.614 -0.901 2.225 1.00 0.00 C ATOM 481 C ARG A 35 -12.971 -0.579 0.879 1.00 0.00 C ATOM 482 O ARG A 35 -11.764 -0.748 0.704 1.00 0.00 O ATOM 483 CB ARG A 35 -14.862 -0.040 2.432 1.00 0.00 C ATOM 484 CG ARG A 35 -15.322 0.028 3.880 1.00 0.00 C ATOM 485 CD ARG A 35 -15.334 1.459 4.395 1.00 0.00 C ATOM 486 NE ARG A 35 -16.691 1.955 4.600 1.00 0.00 N ATOM 487 CZ ARG A 35 -17.010 2.877 5.504 1.00 0.00 C ATOM 488 NH1 ARG A 35 -16.069 3.402 6.278 1.00 0.00 N ATOM 489 NH2 ARG A 35 -18.270 3.272 5.633 1.00 0.00 N ATOM 0 H ARG A 35 -12.790 0.198 3.808 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.906 -1.951 2.227 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -14.659 0.970 2.076 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.672 -0.437 1.820 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -16.321 -0.399 3.966 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -14.662 -0.578 4.501 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -14.783 1.511 5.334 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.816 2.104 3.686 1.00 0.00 H new ATOM 0 HE ARG A 35 -17.436 1.573 4.018 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.100 3.099 6.180 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.314 4.109 6.971 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -18.994 2.869 5.039 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -18.514 3.979 6.326 1.00 0.00 H new ATOM 503 N ALA A 36 -13.781 -0.117 -0.070 1.00 0.00 N ATOM 504 CA ALA A 36 -13.282 0.226 -1.397 1.00 0.00 C ATOM 505 C ALA A 36 -14.003 1.447 -1.958 1.00 0.00 C ATOM 506 O ALA A 36 -15.208 1.608 -1.772 1.00 0.00 O ATOM 507 CB ALA A 36 -13.435 -0.957 -2.341 1.00 0.00 C ATOM 0 H ALA A 36 -14.783 0.028 0.055 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.224 0.471 -1.306 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.059 -0.686 -3.327 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.868 -1.805 -1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -14.488 -1.228 -2.416 1.00 0.00 H new ATOM 513 N TYR A 37 -13.256 2.303 -2.650 1.00 0.00 N ATOM 514 CA TYR A 37 -13.824 3.508 -3.243 1.00 0.00 C ATOM 515 C TYR A 37 -15.126 3.191 -3.969 1.00 0.00 C ATOM 516 O TYR A 37 -15.115 2.674 -5.086 1.00 0.00 O ATOM 517 CB TYR A 37 -12.826 4.139 -4.216 1.00 0.00 C ATOM 518 CG TYR A 37 -13.285 5.464 -4.783 1.00 0.00 C ATOM 519 CD1 TYR A 37 -14.355 6.149 -4.222 1.00 0.00 C ATOM 520 CD2 TYR A 37 -12.648 6.030 -5.881 1.00 0.00 C ATOM 521 CE1 TYR A 37 -14.778 7.360 -4.738 1.00 0.00 C ATOM 522 CE2 TYR A 37 -13.064 7.240 -6.402 1.00 0.00 C ATOM 523 CZ TYR A 37 -14.128 7.901 -5.827 1.00 0.00 C ATOM 524 OH TYR A 37 -14.545 9.107 -6.345 1.00 0.00 O ATOM 0 H TYR A 37 -12.256 2.184 -2.813 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.037 4.215 -2.441 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -11.874 4.283 -3.704 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -12.645 3.446 -5.037 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.865 5.729 -3.368 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -11.814 5.515 -6.335 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -15.613 7.879 -4.291 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -12.558 7.666 -7.256 1.00 0.00 H new ATOM 0 HH TYR A 37 -13.981 9.347 -7.109 1.00 0.00 H new ATOM 534 N PRO A 38 -16.270 3.496 -3.340 1.00 0.00 N ATOM 535 CA PRO A 38 -17.588 3.240 -3.929 1.00 0.00 C ATOM 536 C PRO A 38 -17.872 4.141 -5.129 1.00 0.00 C ATOM 537 O PRO A 38 -16.960 4.739 -5.698 1.00 0.00 O ATOM 538 CB PRO A 38 -18.555 3.548 -2.782 1.00 0.00 C ATOM 539 CG PRO A 38 -17.816 4.500 -1.906 1.00 0.00 C ATOM 540 CD PRO A 38 -16.367 4.114 -2.005 1.00 0.00 C ATOM 0 HA PRO A 38 -17.674 2.224 -4.313 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -19.481 3.989 -3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -18.828 2.642 -2.240 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -17.969 5.529 -2.232 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -18.167 4.436 -0.876 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -15.713 4.981 -1.915 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -16.082 3.417 -1.217 1.00 0.00 H new ATOM 548 N THR A 39 -19.143 4.231 -5.506 1.00 0.00 N ATOM 549 CA THR A 39 -19.556 5.058 -6.637 1.00 0.00 C ATOM 550 C THR A 39 -18.557 4.969 -7.788 1.00 0.00 C ATOM 551 O THR A 39 -17.511 5.618 -7.768 1.00 0.00 O ATOM 552 CB THR A 39 -19.712 6.515 -6.199 1.00 0.00 C ATOM 553 OG1 THR A 39 -19.302 7.395 -7.231 1.00 0.00 O ATOM 554 CG2 THR A 39 -18.912 6.857 -4.961 1.00 0.00 C ATOM 0 H THR A 39 -19.908 3.740 -5.044 1.00 0.00 H new ATOM 0 HA THR A 39 -20.516 4.681 -6.990 1.00 0.00 H new ATOM 0 HB THR A 39 -20.771 6.637 -5.973 1.00 0.00 H new ATOM 0 HG1 THR A 39 -18.363 7.223 -7.453 1.00 0.00 H new ATOM 0 HG21 THR A 39 -19.068 7.905 -4.705 1.00 0.00 H new ATOM 0 HG22 THR A 39 -19.238 6.229 -4.132 1.00 0.00 H new ATOM 0 HG23 THR A 39 -17.853 6.684 -5.153 1.00 0.00 H new ATOM 562 N PRO A 40 -18.874 4.165 -8.815 1.00 0.00 N ATOM 563 CA PRO A 40 -18.014 3.995 -9.980 1.00 0.00 C ATOM 564 C PRO A 40 -18.271 5.053 -11.049 1.00 0.00 C ATOM 565 O PRO A 40 -17.516 5.173 -12.013 1.00 0.00 O ATOM 566 CB PRO A 40 -18.410 2.610 -10.483 1.00 0.00 C ATOM 567 CG PRO A 40 -19.850 2.461 -10.113 1.00 0.00 C ATOM 568 CD PRO A 40 -20.103 3.361 -8.923 1.00 0.00 C ATOM 0 HA PRO A 40 -16.956 4.097 -9.740 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -18.269 2.526 -11.561 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -17.801 1.833 -10.020 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -20.492 2.739 -10.949 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -20.078 1.424 -9.866 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -20.979 3.991 -9.078 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -20.282 2.783 -8.017 1.00 0.00 H new ATOM 576 N LEU A 41 -19.343 5.819 -10.867 1.00 0.00 N ATOM 577 CA LEU A 41 -19.706 6.870 -11.811 1.00 0.00 C ATOM 578 C LEU A 41 -20.907 7.665 -11.296 1.00 0.00 C ATOM 579 O LEU A 41 -21.196 7.656 -10.100 1.00 0.00 O ATOM 580 CB LEU A 41 -20.015 6.265 -13.185 1.00 0.00 C ATOM 581 CG LEU A 41 -20.994 5.089 -13.170 1.00 0.00 C ATOM 582 CD1 LEU A 41 -22.405 5.565 -13.475 1.00 0.00 C ATOM 583 CD2 LEU A 41 -20.563 4.023 -14.167 1.00 0.00 C ATOM 0 H LEU A 41 -19.976 5.731 -10.072 1.00 0.00 H new ATOM 0 HA LEU A 41 -18.861 7.552 -11.911 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -20.421 7.047 -13.827 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -19.080 5.934 -13.638 1.00 0.00 H new ATOM 0 HG LEU A 41 -20.988 4.650 -12.172 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -23.087 4.715 -13.460 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -22.714 6.292 -12.724 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -22.427 6.030 -14.460 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -21.271 3.194 -14.143 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -20.539 4.451 -15.169 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -19.570 3.659 -13.904 1.00 0.00 H new ATOM 595 N ARG A 42 -21.598 8.355 -12.201 1.00 0.00 N ATOM 596 CA ARG A 42 -22.762 9.156 -11.829 1.00 0.00 C ATOM 597 C ARG A 42 -23.687 8.382 -10.891 1.00 0.00 C ATOM 598 O ARG A 42 -23.407 7.239 -10.529 1.00 0.00 O ATOM 599 CB ARG A 42 -23.533 9.587 -13.079 1.00 0.00 C ATOM 600 CG ARG A 42 -22.790 10.600 -13.935 1.00 0.00 C ATOM 601 CD ARG A 42 -23.170 12.025 -13.570 1.00 0.00 C ATOM 602 NE ARG A 42 -22.003 12.829 -13.220 1.00 0.00 N ATOM 603 CZ ARG A 42 -22.074 14.091 -12.813 1.00 0.00 C ATOM 604 NH1 ARG A 42 -23.254 14.686 -12.701 1.00 0.00 N ATOM 605 NH2 ARG A 42 -20.967 14.761 -12.520 1.00 0.00 N ATOM 0 H ARG A 42 -21.372 8.376 -13.196 1.00 0.00 H new ATOM 0 HA ARG A 42 -22.404 10.042 -11.305 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -23.752 8.706 -13.682 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -24.490 10.012 -12.776 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -21.716 10.466 -13.809 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -23.012 10.421 -14.987 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -23.691 12.488 -14.408 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -23.866 12.011 -12.731 1.00 0.00 H new ATOM 0 HE ARG A 42 -21.082 12.397 -13.292 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -24.107 14.174 -12.927 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -23.309 15.655 -12.388 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -20.058 14.307 -12.607 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -21.025 15.730 -12.208 1.00 0.00 H new ATOM 619 N SER A 43 -24.790 9.015 -10.501 1.00 0.00 N ATOM 620 CA SER A 43 -25.757 8.391 -9.604 1.00 0.00 C ATOM 621 C SER A 43 -25.048 7.594 -8.514 1.00 0.00 C ATOM 622 O SER A 43 -24.918 6.374 -8.608 1.00 0.00 O ATOM 623 CB SER A 43 -26.703 7.477 -10.387 1.00 0.00 C ATOM 624 OG SER A 43 -26.035 6.307 -10.828 1.00 0.00 O ATOM 0 H SER A 43 -25.036 9.961 -10.793 1.00 0.00 H new ATOM 0 HA SER A 43 -26.340 9.183 -9.133 1.00 0.00 H new ATOM 0 HB2 SER A 43 -27.550 7.201 -9.758 1.00 0.00 H new ATOM 0 HB3 SER A 43 -27.105 8.015 -11.245 1.00 0.00 H new ATOM 0 HG SER A 43 -25.168 6.236 -10.377 1.00 0.00 H new ATOM 630 N LYS A 44 -24.592 8.294 -7.481 1.00 0.00 N ATOM 631 CA LYS A 44 -23.896 7.654 -6.371 1.00 0.00 C ATOM 632 C LYS A 44 -24.847 7.409 -5.204 1.00 0.00 C ATOM 633 O LYS A 44 -24.664 7.957 -4.117 1.00 0.00 O ATOM 634 CB LYS A 44 -22.724 8.522 -5.909 1.00 0.00 C ATOM 635 CG LYS A 44 -23.121 9.954 -5.584 1.00 0.00 C ATOM 636 CD LYS A 44 -22.721 10.336 -4.169 1.00 0.00 C ATOM 637 CE LYS A 44 -21.891 11.610 -4.152 1.00 0.00 C ATOM 638 NZ LYS A 44 -22.335 12.550 -3.087 1.00 0.00 N ATOM 0 H LYS A 44 -24.692 9.305 -7.389 1.00 0.00 H new ATOM 0 HA LYS A 44 -23.516 6.693 -6.718 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -22.273 8.069 -5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -21.961 8.533 -6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -22.648 10.633 -6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -24.198 10.070 -5.702 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -23.615 10.474 -3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -22.152 9.523 -3.718 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -20.842 11.357 -3.998 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -21.962 12.102 -5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -21.743 13.405 -3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -23.329 12.812 -3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -22.244 12.091 -2.158 1.00 0.00 H new ATOM 652 N LYS A 45 -25.864 6.584 -5.436 1.00 0.00 N ATOM 653 CA LYS A 45 -26.844 6.270 -4.401 1.00 0.00 C ATOM 654 C LYS A 45 -27.158 4.775 -4.375 1.00 0.00 C ATOM 655 O LYS A 45 -28.321 4.377 -4.307 1.00 0.00 O ATOM 656 CB LYS A 45 -28.129 7.070 -4.627 1.00 0.00 C ATOM 657 CG LYS A 45 -28.869 7.405 -3.342 1.00 0.00 C ATOM 658 CD LYS A 45 -30.243 6.756 -3.305 1.00 0.00 C ATOM 659 CE LYS A 45 -30.852 6.809 -1.912 1.00 0.00 C ATOM 660 NZ LYS A 45 -30.352 7.971 -1.128 1.00 0.00 N ATOM 0 H LYS A 45 -26.031 6.122 -6.330 1.00 0.00 H new ATOM 0 HA LYS A 45 -26.415 6.546 -3.438 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -27.884 7.996 -5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -28.791 6.502 -5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -28.284 7.069 -2.486 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -28.974 8.486 -3.252 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -30.903 7.261 -4.010 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -30.164 5.718 -3.629 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -31.937 6.867 -1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -30.621 5.886 -1.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -30.954 8.110 -0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -29.374 7.790 -0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -30.379 8.826 -1.719 1.00 0.00 H new ATOM 674 N THR A 46 -26.114 3.951 -4.424 1.00 0.00 N ATOM 675 CA THR A 46 -26.281 2.501 -4.401 1.00 0.00 C ATOM 676 C THR A 46 -25.223 1.846 -3.519 1.00 0.00 C ATOM 677 O THR A 46 -24.111 2.358 -3.381 1.00 0.00 O ATOM 678 CB THR A 46 -26.205 1.929 -5.817 1.00 0.00 C ATOM 679 OG1 THR A 46 -27.218 2.485 -6.635 1.00 0.00 O ATOM 680 CG2 THR A 46 -26.356 0.424 -5.863 1.00 0.00 C ATOM 0 H THR A 46 -25.144 4.263 -4.480 1.00 0.00 H new ATOM 0 HA THR A 46 -27.264 2.283 -3.984 1.00 0.00 H new ATOM 0 HB THR A 46 -25.212 2.191 -6.182 1.00 0.00 H new ATOM 0 HG1 THR A 46 -27.153 2.109 -7.538 1.00 0.00 H new ATOM 0 HG21 THR A 46 -26.293 0.083 -6.896 1.00 0.00 H new ATOM 0 HG22 THR A 46 -25.561 -0.039 -5.279 1.00 0.00 H new ATOM 0 HG23 THR A 46 -27.323 0.142 -5.447 1.00 0.00 H new ATOM 688 N MET A 47 -25.576 0.714 -2.920 1.00 0.00 N ATOM 689 CA MET A 47 -24.656 -0.005 -2.048 1.00 0.00 C ATOM 690 C MET A 47 -24.725 -1.509 -2.291 1.00 0.00 C ATOM 691 O MET A 47 -25.097 -2.273 -1.401 1.00 0.00 O ATOM 692 CB MET A 47 -24.972 0.295 -0.583 1.00 0.00 C ATOM 693 CG MET A 47 -23.775 0.138 0.340 1.00 0.00 C ATOM 694 SD MET A 47 -22.627 1.523 0.226 1.00 0.00 S ATOM 695 CE MET A 47 -23.621 2.840 0.920 1.00 0.00 C ATOM 0 H MET A 47 -26.491 0.275 -3.022 1.00 0.00 H new ATOM 0 HA MET A 47 -23.646 0.334 -2.278 1.00 0.00 H new ATOM 0 HB2 MET A 47 -25.351 1.314 -0.503 1.00 0.00 H new ATOM 0 HB3 MET A 47 -25.769 -0.369 -0.248 1.00 0.00 H new ATOM 0 HG2 MET A 47 -24.124 0.043 1.368 1.00 0.00 H new ATOM 0 HG3 MET A 47 -23.250 -0.785 0.095 1.00 0.00 H new ATOM 0 HE1 MET A 47 -22.969 3.620 1.312 1.00 0.00 H new ATOM 0 HE2 MET A 47 -24.262 3.259 0.145 1.00 0.00 H new ATOM 0 HE3 MET A 47 -24.238 2.444 1.726 1.00 0.00 H new ATOM 705 N LEU A 48 -24.358 -1.930 -3.497 1.00 0.00 N ATOM 706 CA LEU A 48 -24.373 -3.345 -3.845 1.00 0.00 C ATOM 707 C LEU A 48 -23.041 -3.998 -3.485 1.00 0.00 C ATOM 708 O LEU A 48 -22.566 -4.895 -4.183 1.00 0.00 O ATOM 709 CB LEU A 48 -24.664 -3.524 -5.338 1.00 0.00 C ATOM 710 CG LEU A 48 -25.997 -2.936 -5.810 1.00 0.00 C ATOM 711 CD1 LEU A 48 -26.390 -3.512 -7.163 1.00 0.00 C ATOM 712 CD2 LEU A 48 -27.087 -3.199 -4.781 1.00 0.00 C ATOM 0 H LEU A 48 -24.047 -1.313 -4.247 1.00 0.00 H new ATOM 0 HA LEU A 48 -25.164 -3.832 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -23.858 -3.063 -5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -24.650 -4.589 -5.571 1.00 0.00 H new ATOM 0 HG LEU A 48 -25.877 -1.858 -5.920 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -27.340 -3.081 -7.480 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -25.620 -3.274 -7.897 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -26.492 -4.594 -7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -28.028 -2.775 -5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -27.203 -4.274 -4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -26.811 -2.737 -3.833 1.00 0.00 H new ATOM 724 N VAL A 49 -22.443 -3.538 -2.389 1.00 0.00 N ATOM 725 CA VAL A 49 -21.165 -4.070 -1.931 1.00 0.00 C ATOM 726 C VAL A 49 -20.775 -3.469 -0.584 1.00 0.00 C ATOM 727 O VAL A 49 -20.876 -2.260 -0.381 1.00 0.00 O ATOM 728 CB VAL A 49 -20.044 -3.790 -2.950 1.00 0.00 C ATOM 729 CG1 VAL A 49 -20.086 -2.340 -3.408 1.00 0.00 C ATOM 730 CG2 VAL A 49 -18.681 -4.135 -2.366 1.00 0.00 C ATOM 0 H VAL A 49 -22.825 -2.797 -1.802 1.00 0.00 H new ATOM 0 HA VAL A 49 -21.287 -5.148 -1.825 1.00 0.00 H new ATOM 0 HB VAL A 49 -20.208 -4.427 -3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -19.286 -2.162 -4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -21.048 -2.134 -3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -19.953 -1.683 -2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -17.906 -3.929 -3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -18.504 -3.532 -1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -18.656 -5.192 -2.100 1.00 0.00 H new ATOM 740 N GLN A 50 -20.331 -4.323 0.332 1.00 0.00 N ATOM 741 CA GLN A 50 -19.926 -3.876 1.660 1.00 0.00 C ATOM 742 C GLN A 50 -18.978 -4.879 2.312 1.00 0.00 C ATOM 743 O GLN A 50 -18.498 -5.807 1.661 1.00 0.00 O ATOM 744 CB GLN A 50 -21.156 -3.667 2.546 1.00 0.00 C ATOM 745 CG GLN A 50 -21.708 -4.953 3.141 1.00 0.00 C ATOM 746 CD GLN A 50 -22.942 -5.448 2.413 1.00 0.00 C ATOM 747 OE1 GLN A 50 -22.851 -5.994 1.314 1.00 0.00 O ATOM 748 NE2 GLN A 50 -24.104 -5.260 3.026 1.00 0.00 N ATOM 0 H GLN A 50 -20.242 -5.328 0.180 1.00 0.00 H new ATOM 0 HA GLN A 50 -19.398 -2.928 1.550 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -20.898 -2.984 3.356 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -21.937 -3.184 1.959 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -20.938 -5.724 3.109 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -21.951 -4.789 4.191 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -24.132 -4.802 3.937 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -24.969 -5.573 2.586 1.00 0.00 H new ATOM 757 N LYS A 51 -18.714 -4.684 3.601 1.00 0.00 N ATOM 758 CA LYS A 51 -17.824 -5.570 4.344 1.00 0.00 C ATOM 759 C LYS A 51 -17.836 -5.224 5.830 1.00 0.00 C ATOM 760 O LYS A 51 -16.893 -4.622 6.344 1.00 0.00 O ATOM 761 CB LYS A 51 -16.397 -5.474 3.795 1.00 0.00 C ATOM 762 CG LYS A 51 -15.691 -6.817 3.687 1.00 0.00 C ATOM 763 CD LYS A 51 -15.064 -7.011 2.316 1.00 0.00 C ATOM 764 CE LYS A 51 -13.791 -7.841 2.396 1.00 0.00 C ATOM 765 NZ LYS A 51 -14.032 -9.267 2.037 1.00 0.00 N ATOM 0 H LYS A 51 -19.104 -3.920 4.153 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.182 -6.592 4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -16.427 -5.009 2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -15.813 -4.817 4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.919 -6.886 4.454 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.403 -7.620 3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.778 -7.501 1.655 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.839 -6.039 1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.041 -7.420 1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.384 -7.785 3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.140 -9.797 2.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.729 -9.677 2.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.396 -9.323 1.064 1.00 0.00 H new ATOM 779 N ASN A 52 -18.910 -5.605 6.516 1.00 0.00 N ATOM 780 CA ASN A 52 -19.044 -5.331 7.943 1.00 0.00 C ATOM 781 C ASN A 52 -18.709 -3.874 8.245 1.00 0.00 C ATOM 782 O ASN A 52 -18.538 -3.067 7.332 1.00 0.00 O ATOM 783 CB ASN A 52 -18.130 -6.256 8.750 1.00 0.00 C ATOM 784 CG ASN A 52 -18.854 -7.493 9.243 1.00 0.00 C ATOM 785 OD1 ASN A 52 -20.082 -7.560 9.213 1.00 0.00 O ATOM 786 ND2 ASN A 52 -18.094 -8.481 9.702 1.00 0.00 N ATOM 0 H ASN A 52 -19.700 -6.104 6.107 1.00 0.00 H new ATOM 0 HA ASN A 52 -20.079 -5.517 8.231 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -17.283 -6.555 8.133 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.726 -5.710 9.603 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -18.526 -9.338 10.048 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.079 -8.383 9.708 1.00 0.00 H new ATOM 793 N VAL A 53 -18.611 -3.543 9.528 1.00 0.00 N ATOM 794 CA VAL A 53 -18.290 -2.182 9.938 1.00 0.00 C ATOM 795 C VAL A 53 -17.163 -2.168 10.958 1.00 0.00 C ATOM 796 O VAL A 53 -16.810 -1.122 11.500 1.00 0.00 O ATOM 797 CB VAL A 53 -19.511 -1.469 10.539 1.00 0.00 C ATOM 798 CG1 VAL A 53 -20.229 -0.648 9.479 1.00 0.00 C ATOM 799 CG2 VAL A 53 -20.456 -2.475 11.179 1.00 0.00 C ATOM 0 H VAL A 53 -18.749 -4.196 10.299 1.00 0.00 H new ATOM 0 HA VAL A 53 -17.975 -1.652 9.039 1.00 0.00 H new ATOM 0 HB VAL A 53 -19.164 -0.788 11.316 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -21.091 -0.151 9.925 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -19.547 0.101 9.075 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -20.564 -1.304 8.676 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -21.315 -1.951 11.599 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -20.797 -3.185 10.425 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -19.934 -3.011 11.972 1.00 0.00 H new ATOM 809 N THR A 54 -16.603 -3.338 11.209 1.00 0.00 N ATOM 810 CA THR A 54 -15.508 -3.477 12.162 1.00 0.00 C ATOM 811 C THR A 54 -14.406 -4.365 11.601 1.00 0.00 C ATOM 812 O THR A 54 -14.216 -5.495 12.050 1.00 0.00 O ATOM 813 CB THR A 54 -16.018 -4.057 13.482 1.00 0.00 C ATOM 814 OG1 THR A 54 -16.777 -3.094 14.190 1.00 0.00 O ATOM 815 CG2 THR A 54 -14.906 -4.526 14.398 1.00 0.00 C ATOM 0 H THR A 54 -16.888 -4.211 10.766 1.00 0.00 H new ATOM 0 HA THR A 54 -15.095 -2.485 12.344 1.00 0.00 H new ATOM 0 HB THR A 54 -16.628 -4.917 13.205 1.00 0.00 H new ATOM 0 HG1 THR A 54 -17.097 -3.483 15.031 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.336 -4.926 15.316 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.327 -5.303 13.899 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.254 -3.686 14.638 1.00 0.00 H new ATOM 823 N SER A 55 -13.676 -3.845 10.620 1.00 0.00 N ATOM 824 CA SER A 55 -12.587 -4.591 10.003 1.00 0.00 C ATOM 825 C SER A 55 -11.264 -4.270 10.689 1.00 0.00 C ATOM 826 O SER A 55 -11.186 -3.356 11.510 1.00 0.00 O ATOM 827 CB SER A 55 -12.498 -4.273 8.509 1.00 0.00 C ATOM 828 OG SER A 55 -12.582 -5.453 7.729 1.00 0.00 O ATOM 0 H SER A 55 -13.819 -2.911 10.236 1.00 0.00 H new ATOM 0 HA SER A 55 -12.791 -5.655 10.121 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.302 -3.592 8.231 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.559 -3.761 8.299 1.00 0.00 H new ATOM 0 HG SER A 55 -12.524 -5.222 6.778 1.00 0.00 H new ATOM 834 N GLU A 56 -10.227 -5.026 10.351 1.00 0.00 N ATOM 835 CA GLU A 56 -8.910 -4.819 10.939 1.00 0.00 C ATOM 836 C GLU A 56 -8.045 -3.943 10.040 1.00 0.00 C ATOM 837 O GLU A 56 -8.493 -3.480 8.990 1.00 0.00 O ATOM 838 CB GLU A 56 -8.222 -6.163 11.181 1.00 0.00 C ATOM 839 CG GLU A 56 -9.194 -7.305 11.430 1.00 0.00 C ATOM 840 CD GLU A 56 -8.560 -8.666 11.223 1.00 0.00 C ATOM 841 OE1 GLU A 56 -7.328 -8.781 11.399 1.00 0.00 O ATOM 842 OE2 GLU A 56 -9.295 -9.618 10.884 1.00 0.00 O ATOM 0 H GLU A 56 -10.272 -5.787 9.674 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.040 -4.309 11.893 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.602 -6.406 10.318 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.554 -6.071 12.038 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.575 -7.237 12.449 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.049 -7.201 10.762 1.00 0.00 H new ATOM 849 N SER A 57 -6.805 -3.717 10.458 1.00 0.00 N ATOM 850 CA SER A 57 -5.878 -2.895 9.689 1.00 0.00 C ATOM 851 C SER A 57 -5.233 -3.708 8.573 1.00 0.00 C ATOM 852 O SER A 57 -4.772 -4.827 8.795 1.00 0.00 O ATOM 853 CB SER A 57 -4.800 -2.312 10.605 1.00 0.00 C ATOM 854 OG SER A 57 -4.487 -3.207 11.658 1.00 0.00 O ATOM 0 H SER A 57 -6.418 -4.091 11.325 1.00 0.00 H new ATOM 0 HA SER A 57 -6.440 -2.077 9.239 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.902 -2.099 10.025 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.144 -1.364 11.019 1.00 0.00 H new ATOM 0 HG SER A 57 -3.795 -2.812 12.228 1.00 0.00 H new ATOM 860 N THR A 58 -5.208 -3.141 7.373 1.00 0.00 N ATOM 861 CA THR A 58 -4.622 -3.819 6.224 1.00 0.00 C ATOM 862 C THR A 58 -3.216 -3.302 5.943 1.00 0.00 C ATOM 863 O THR A 58 -2.683 -2.482 6.690 1.00 0.00 O ATOM 864 CB THR A 58 -5.500 -3.627 4.988 1.00 0.00 C ATOM 865 OG1 THR A 58 -5.751 -2.252 4.756 1.00 0.00 O ATOM 866 CG2 THR A 58 -6.837 -4.328 5.091 1.00 0.00 C ATOM 0 H THR A 58 -5.586 -2.215 7.171 1.00 0.00 H new ATOM 0 HA THR A 58 -4.560 -4.882 6.458 1.00 0.00 H new ATOM 0 HB THR A 58 -4.938 -4.068 4.164 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.313 -2.152 3.960 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.411 -4.152 4.181 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.678 -5.399 5.218 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.387 -3.939 5.948 1.00 0.00 H new ATOM 874 N CYS A 59 -2.623 -3.785 4.857 1.00 0.00 N ATOM 875 CA CYS A 59 -1.281 -3.370 4.471 1.00 0.00 C ATOM 876 C CYS A 59 -0.799 -4.160 3.261 1.00 0.00 C ATOM 877 O CYS A 59 -1.112 -5.340 3.109 1.00 0.00 O ATOM 878 CB CYS A 59 -0.313 -3.537 5.650 1.00 0.00 C ATOM 879 SG CYS A 59 1.304 -4.258 5.211 1.00 0.00 S ATOM 0 H CYS A 59 -3.051 -4.465 4.229 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.311 -2.316 4.195 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.148 -2.562 6.109 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -0.785 -4.168 6.403 1.00 0.00 H new ATOM 884 N CYS A 60 -0.040 -3.494 2.397 1.00 0.00 N ATOM 885 CA CYS A 60 0.482 -4.125 1.193 1.00 0.00 C ATOM 886 C CYS A 60 1.899 -4.643 1.414 1.00 0.00 C ATOM 887 O CYS A 60 2.771 -3.919 1.894 1.00 0.00 O ATOM 888 CB CYS A 60 0.464 -3.136 0.028 1.00 0.00 C ATOM 889 SG CYS A 60 -0.845 -1.875 0.148 1.00 0.00 S ATOM 0 H CYS A 60 0.227 -2.516 2.510 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.158 -4.974 0.953 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.431 -2.637 -0.027 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.338 -3.689 -0.903 1.00 0.00 H new ATOM 894 N VAL A 61 2.116 -5.901 1.051 1.00 0.00 N ATOM 895 CA VAL A 61 3.421 -6.530 1.195 1.00 0.00 C ATOM 896 C VAL A 61 3.885 -7.095 -0.139 1.00 0.00 C ATOM 897 O VAL A 61 3.876 -8.307 -0.342 1.00 0.00 O ATOM 898 CB VAL A 61 3.385 -7.661 2.241 1.00 0.00 C ATOM 899 CG1 VAL A 61 2.259 -8.634 1.933 1.00 0.00 C ATOM 900 CG2 VAL A 61 4.722 -8.385 2.300 1.00 0.00 C ATOM 0 H VAL A 61 1.400 -6.508 0.652 1.00 0.00 H new ATOM 0 HA VAL A 61 4.120 -5.765 1.533 1.00 0.00 H new ATOM 0 HB VAL A 61 3.198 -7.218 3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.248 -9.426 2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.306 -8.105 1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.414 -9.069 0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.673 -9.179 3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.946 -8.816 1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.506 -7.679 2.573 1.00 0.00 H new ATOM 910 N ALA A 62 4.279 -6.199 -1.047 1.00 0.00 N ATOM 911 CA ALA A 62 4.742 -6.589 -2.377 1.00 0.00 C ATOM 912 C ALA A 62 4.348 -8.028 -2.705 1.00 0.00 C ATOM 913 O ALA A 62 4.916 -8.978 -2.166 1.00 0.00 O ATOM 914 CB ALA A 62 6.247 -6.401 -2.487 1.00 0.00 C ATOM 0 H ALA A 62 4.286 -5.192 -0.882 1.00 0.00 H new ATOM 0 HA ALA A 62 4.256 -5.943 -3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.579 -6.695 -3.483 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.496 -5.354 -2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.746 -7.019 -1.741 1.00 0.00 H new ATOM 920 N LYS A 63 3.379 -8.179 -3.604 1.00 0.00 N ATOM 921 CA LYS A 63 2.913 -9.487 -4.015 1.00 0.00 C ATOM 922 C LYS A 63 4.088 -10.303 -4.498 1.00 0.00 C ATOM 923 O LYS A 63 4.185 -11.503 -4.241 1.00 0.00 O ATOM 924 CB LYS A 63 1.876 -9.352 -5.126 1.00 0.00 C ATOM 925 CG LYS A 63 1.003 -10.579 -5.284 1.00 0.00 C ATOM 926 CD LYS A 63 0.073 -10.454 -6.480 1.00 0.00 C ATOM 927 CE LYS A 63 -1.361 -10.795 -6.110 1.00 0.00 C ATOM 928 NZ LYS A 63 -1.500 -12.210 -5.671 1.00 0.00 N ATOM 0 H LYS A 63 2.902 -7.401 -4.061 1.00 0.00 H new ATOM 0 HA LYS A 63 2.446 -9.988 -3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.243 -8.489 -4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.387 -9.155 -6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.632 -11.461 -5.402 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.414 -10.726 -4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.117 -9.438 -6.871 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.412 -11.117 -7.276 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.697 -10.133 -5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.010 -10.616 -6.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.498 -12.412 -5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.172 -12.842 -6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.927 -12.366 -4.817 1.00 0.00 H new ATOM 942 N SER A 64 4.993 -9.625 -5.182 1.00 0.00 N ATOM 943 CA SER A 64 6.187 -10.259 -5.688 1.00 0.00 C ATOM 944 C SER A 64 7.340 -9.270 -5.671 1.00 0.00 C ATOM 945 O SER A 64 7.374 -8.327 -6.458 1.00 0.00 O ATOM 946 CB SER A 64 5.970 -10.789 -7.102 1.00 0.00 C ATOM 947 OG SER A 64 4.976 -11.799 -7.124 1.00 0.00 O ATOM 0 H SER A 64 4.918 -8.631 -5.398 1.00 0.00 H new ATOM 0 HA SER A 64 6.427 -11.105 -5.044 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.675 -9.971 -7.759 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.907 -11.188 -7.491 1.00 0.00 H new ATOM 0 HG SER A 64 4.856 -12.120 -8.042 1.00 0.00 H new ATOM 953 N TYR A 65 8.271 -9.483 -4.759 1.00 0.00 N ATOM 954 CA TYR A 65 9.423 -8.601 -4.623 1.00 0.00 C ATOM 955 C TYR A 65 10.582 -9.072 -5.466 1.00 0.00 C ATOM 956 O TYR A 65 10.698 -10.257 -5.781 1.00 0.00 O ATOM 957 CB TYR A 65 9.905 -8.561 -3.178 1.00 0.00 C ATOM 958 CG TYR A 65 10.139 -9.933 -2.590 1.00 0.00 C ATOM 959 CD1 TYR A 65 11.218 -10.703 -3.003 1.00 0.00 C ATOM 960 CD2 TYR A 65 9.286 -10.461 -1.628 1.00 0.00 C ATOM 961 CE1 TYR A 65 11.443 -11.959 -2.476 1.00 0.00 C ATOM 962 CE2 TYR A 65 9.505 -11.718 -1.095 1.00 0.00 C ATOM 963 CZ TYR A 65 10.585 -12.462 -1.523 1.00 0.00 C ATOM 964 OH TYR A 65 10.806 -13.714 -0.997 1.00 0.00 O ATOM 0 H TYR A 65 8.255 -10.260 -4.099 1.00 0.00 H new ATOM 0 HA TYR A 65 9.097 -7.614 -4.951 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.831 -7.988 -3.126 1.00 0.00 H new ATOM 0 HB3 TYR A 65 9.169 -8.033 -2.571 1.00 0.00 H new ATOM 0 HD1 TYR A 65 11.893 -10.312 -3.750 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.439 -9.881 -1.292 1.00 0.00 H new ATOM 0 HE1 TYR A 65 12.287 -12.544 -2.809 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.834 -12.115 -0.348 1.00 0.00 H new ATOM 0 HH TYR A 65 10.111 -13.919 -0.337 1.00 0.00 H new ATOM 974 N ASN A 66 11.477 -8.150 -5.779 1.00 0.00 N ATOM 975 CA ASN A 66 12.669 -8.513 -6.530 1.00 0.00 C ATOM 976 C ASN A 66 13.878 -7.978 -5.800 1.00 0.00 C ATOM 977 O ASN A 66 14.983 -7.868 -6.330 1.00 0.00 O ATOM 978 CB ASN A 66 12.588 -8.006 -7.966 1.00 0.00 C ATOM 979 CG ASN A 66 13.771 -8.443 -8.808 1.00 0.00 C ATOM 980 OD1 ASN A 66 13.927 -7.827 -9.974 1.00 0.00 O flip ATOM 981 ND2 ASN A 66 14.536 -9.322 -8.415 1.00 0.00 N flip ATOM 0 H ASN A 66 11.405 -7.163 -5.531 1.00 0.00 H new ATOM 0 HA ASN A 66 12.752 -9.598 -6.597 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.668 -8.369 -8.424 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.534 -6.917 -7.960 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.378 -9.769 -7.512 1.00 0.00 H new ATOM 0 HD22 ASN A 66 15.328 -9.604 -8.992 1.00 0.00 H new ATOM 988 N ARG A 67 13.601 -7.666 -4.559 1.00 0.00 N ATOM 989 CA ARG A 67 14.561 -7.125 -3.604 1.00 0.00 C ATOM 990 C ARG A 67 15.921 -6.833 -4.211 1.00 0.00 C ATOM 991 O ARG A 67 16.589 -7.702 -4.772 1.00 0.00 O ATOM 992 CB ARG A 67 14.692 -8.067 -2.420 1.00 0.00 C ATOM 993 CG ARG A 67 14.709 -7.360 -1.079 1.00 0.00 C ATOM 994 CD ARG A 67 16.117 -7.295 -0.508 1.00 0.00 C ATOM 995 NE ARG A 67 16.561 -8.592 -0.005 1.00 0.00 N ATOM 996 CZ ARG A 67 17.603 -9.261 -0.493 1.00 0.00 C ATOM 997 NH1 ARG A 67 18.315 -8.760 -1.495 1.00 0.00 N ATOM 998 NH2 ARG A 67 17.936 -10.436 0.023 1.00 0.00 N ATOM 0 H ARG A 67 12.669 -7.783 -4.162 1.00 0.00 H new ATOM 0 HA ARG A 67 14.171 -6.163 -3.272 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.864 -8.775 -2.437 1.00 0.00 H new ATOM 0 HB3 ARG A 67 15.609 -8.646 -2.527 1.00 0.00 H new ATOM 0 HG2 ARG A 67 14.313 -6.351 -1.192 1.00 0.00 H new ATOM 0 HG3 ARG A 67 14.055 -7.883 -0.381 1.00 0.00 H new ATOM 0 HD2 ARG A 67 16.806 -6.949 -1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 67 16.148 -6.563 0.299 1.00 0.00 H new ATOM 0 HE ARG A 67 16.041 -9.010 0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 67 18.065 -7.856 -1.896 1.00 0.00 H new ATOM 0 HH12 ARG A 67 19.112 -9.279 -1.863 1.00 0.00 H new ATOM 0 HH21 ARG A 67 17.394 -10.827 0.793 1.00 0.00 H new ATOM 0 HH22 ARG A 67 18.734 -10.949 -0.351 1.00 0.00 H new ATOM 1012 N VAL A 68 16.313 -5.578 -4.059 1.00 0.00 N ATOM 1013 CA VAL A 68 17.588 -5.080 -4.549 1.00 0.00 C ATOM 1014 C VAL A 68 18.298 -4.309 -3.447 1.00 0.00 C ATOM 1015 O VAL A 68 18.710 -3.166 -3.645 1.00 0.00 O ATOM 1016 CB VAL A 68 17.405 -4.144 -5.766 1.00 0.00 C ATOM 1017 CG1 VAL A 68 16.639 -4.837 -6.884 1.00 0.00 C ATOM 1018 CG2 VAL A 68 16.698 -2.860 -5.351 1.00 0.00 C ATOM 0 H VAL A 68 15.750 -4.870 -3.588 1.00 0.00 H new ATOM 0 HA VAL A 68 18.180 -5.942 -4.856 1.00 0.00 H new ATOM 0 HB VAL A 68 18.395 -3.890 -6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 68 16.526 -4.154 -7.726 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.187 -5.722 -7.206 1.00 0.00 H new ATOM 0 HG13 VAL A 68 15.654 -5.132 -6.522 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.578 -2.213 -6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 68 15.718 -3.101 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.292 -2.346 -4.596 1.00 0.00 H new ATOM 1028 N THR A 69 18.422 -4.934 -2.279 1.00 0.00 N ATOM 1029 CA THR A 69 19.064 -4.291 -1.142 1.00 0.00 C ATOM 1030 C THR A 69 20.102 -3.290 -1.612 1.00 0.00 C ATOM 1031 O THR A 69 21.076 -3.644 -2.276 1.00 0.00 O ATOM 1032 CB THR A 69 19.722 -5.300 -0.211 1.00 0.00 C ATOM 1033 OG1 THR A 69 18.750 -6.107 0.431 1.00 0.00 O ATOM 1034 CG2 THR A 69 20.552 -4.625 0.860 1.00 0.00 C ATOM 0 H THR A 69 18.087 -5.880 -2.098 1.00 0.00 H new ATOM 0 HA THR A 69 18.281 -3.776 -0.586 1.00 0.00 H new ATOM 0 HB THR A 69 20.371 -5.914 -0.836 1.00 0.00 H new ATOM 0 HG1 THR A 69 19.196 -6.748 1.022 1.00 0.00 H new ATOM 0 HG21 THR A 69 21.003 -5.382 1.502 1.00 0.00 H new ATOM 0 HG22 THR A 69 21.337 -4.031 0.392 1.00 0.00 H new ATOM 0 HG23 THR A 69 19.914 -3.975 1.459 1.00 0.00 H new ATOM 1042 N VAL A 70 19.869 -2.040 -1.275 1.00 0.00 N ATOM 1043 CA VAL A 70 20.761 -0.963 -1.668 1.00 0.00 C ATOM 1044 C VAL A 70 21.392 -0.282 -0.478 1.00 0.00 C ATOM 1045 O VAL A 70 21.427 -0.815 0.631 1.00 0.00 O ATOM 1046 CB VAL A 70 20.029 0.109 -2.492 1.00 0.00 C ATOM 1047 CG1 VAL A 70 20.761 0.374 -3.800 1.00 0.00 C ATOM 1048 CG2 VAL A 70 18.584 -0.292 -2.749 1.00 0.00 C ATOM 0 H VAL A 70 19.064 -1.740 -0.726 1.00 0.00 H new ATOM 0 HA VAL A 70 21.537 -1.433 -2.272 1.00 0.00 H new ATOM 0 HB VAL A 70 20.020 1.033 -1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 70 20.227 1.136 -4.368 1.00 0.00 H new ATOM 0 HG12 VAL A 70 21.772 0.722 -3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 70 20.810 -0.546 -4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 70 18.090 0.484 -3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 70 18.560 -1.232 -3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 70 18.066 -0.415 -1.798 1.00 0.00 H new ATOM 1058 N MET A 71 21.903 0.902 -0.749 1.00 0.00 N ATOM 1059 CA MET A 71 22.571 1.721 0.242 1.00 0.00 C ATOM 1060 C MET A 71 22.212 1.324 1.668 1.00 0.00 C ATOM 1061 O MET A 71 21.070 0.972 1.965 1.00 0.00 O ATOM 1062 CB MET A 71 22.250 3.191 0.006 1.00 0.00 C ATOM 1063 CG MET A 71 23.161 3.825 -1.024 1.00 0.00 C ATOM 1064 SD MET A 71 22.886 5.598 -1.207 1.00 0.00 S ATOM 1065 CE MET A 71 24.054 5.988 -2.508 1.00 0.00 C ATOM 0 H MET A 71 21.866 1.328 -1.675 1.00 0.00 H new ATOM 0 HA MET A 71 23.642 1.557 0.127 1.00 0.00 H new ATOM 0 HB2 MET A 71 21.215 3.285 -0.322 1.00 0.00 H new ATOM 0 HB3 MET A 71 22.337 3.734 0.947 1.00 0.00 H new ATOM 0 HG2 MET A 71 24.199 3.651 -0.740 1.00 0.00 H new ATOM 0 HG3 MET A 71 23.008 3.337 -1.987 1.00 0.00 H new ATOM 0 HE1 MET A 71 24.003 7.053 -2.735 1.00 0.00 H new ATOM 0 HE2 MET A 71 25.062 5.735 -2.180 1.00 0.00 H new ATOM 0 HE3 MET A 71 23.808 5.414 -3.402 1.00 0.00 H new ATOM 1075 N GLY A 72 23.204 1.390 2.547 1.00 0.00 N ATOM 1076 CA GLY A 72 22.993 1.043 3.935 1.00 0.00 C ATOM 1077 C GLY A 72 22.074 -0.150 4.103 1.00 0.00 C ATOM 1078 O GLY A 72 21.395 -0.279 5.121 1.00 0.00 O ATOM 0 H GLY A 72 24.155 1.680 2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 72 23.954 0.826 4.402 1.00 0.00 H new ATOM 0 HA3 GLY A 72 22.570 1.900 4.460 1.00 0.00 H new ATOM 1082 N GLY A 73 22.049 -1.024 3.102 1.00 0.00 N ATOM 1083 CA GLY A 73 21.200 -2.199 3.164 1.00 0.00 C ATOM 1084 C GLY A 73 19.734 -1.862 2.979 1.00 0.00 C ATOM 1085 O GLY A 73 18.874 -2.391 3.684 1.00 0.00 O ATOM 0 H GLY A 73 22.602 -0.939 2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 73 21.507 -2.907 2.394 1.00 0.00 H new ATOM 0 HA3 GLY A 73 21.338 -2.693 4.126 1.00 0.00 H new ATOM 1089 N PHE A 74 19.450 -0.978 2.028 1.00 0.00 N ATOM 1090 CA PHE A 74 18.078 -0.569 1.751 1.00 0.00 C ATOM 1091 C PHE A 74 17.354 -1.622 0.921 1.00 0.00 C ATOM 1092 O PHE A 74 17.804 -1.985 -0.162 1.00 0.00 O ATOM 1093 CB PHE A 74 18.061 0.772 1.014 1.00 0.00 C ATOM 1094 CG PHE A 74 18.257 1.961 1.914 1.00 0.00 C ATOM 1095 CD1 PHE A 74 17.365 2.227 2.940 1.00 0.00 C ATOM 1096 CD2 PHE A 74 19.336 2.812 1.732 1.00 0.00 C ATOM 1097 CE1 PHE A 74 17.544 3.320 3.767 1.00 0.00 C ATOM 1098 CE2 PHE A 74 19.521 3.906 2.556 1.00 0.00 C ATOM 1099 CZ PHE A 74 18.624 4.160 3.575 1.00 0.00 C ATOM 0 H PHE A 74 20.151 -0.532 1.437 1.00 0.00 H new ATOM 0 HA PHE A 74 17.560 -0.461 2.704 1.00 0.00 H new ATOM 0 HB2 PHE A 74 18.844 0.769 0.255 1.00 0.00 H new ATOM 0 HB3 PHE A 74 17.110 0.877 0.491 1.00 0.00 H new ATOM 0 HD1 PHE A 74 16.520 1.573 3.096 1.00 0.00 H new ATOM 0 HD2 PHE A 74 20.040 2.618 0.937 1.00 0.00 H new ATOM 0 HE1 PHE A 74 16.840 3.517 4.562 1.00 0.00 H new ATOM 0 HE2 PHE A 74 20.366 4.561 2.403 1.00 0.00 H new ATOM 0 HZ PHE A 74 18.767 5.014 4.221 1.00 0.00 H new ATOM 1109 N LYS A 75 16.228 -2.105 1.433 1.00 0.00 N ATOM 1110 CA LYS A 75 15.446 -3.113 0.738 1.00 0.00 C ATOM 1111 C LYS A 75 14.165 -2.516 0.170 1.00 0.00 C ATOM 1112 O LYS A 75 13.434 -1.799 0.855 1.00 0.00 O ATOM 1113 CB LYS A 75 15.102 -4.274 1.674 1.00 0.00 C ATOM 1114 CG LYS A 75 15.952 -4.321 2.933 1.00 0.00 C ATOM 1115 CD LYS A 75 15.493 -3.289 3.946 1.00 0.00 C ATOM 1116 CE LYS A 75 14.724 -3.930 5.090 1.00 0.00 C ATOM 1117 NZ LYS A 75 15.631 -4.595 6.064 1.00 0.00 N ATOM 0 H LYS A 75 15.838 -1.812 2.329 1.00 0.00 H new ATOM 0 HA LYS A 75 16.052 -3.489 -0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 75 14.052 -4.200 1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.220 -5.212 1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.898 -5.316 3.374 1.00 0.00 H new ATOM 0 HG3 LYS A 75 16.996 -4.143 2.676 1.00 0.00 H new ATOM 0 HD2 LYS A 75 16.358 -2.757 4.342 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.862 -2.549 3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 75 14.135 -3.169 5.603 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.021 -4.661 4.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.068 -5.020 6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.175 -5.338 5.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.285 -3.893 6.465 1.00 0.00 H new ATOM 1131 N VAL A 76 13.908 -2.836 -1.085 1.00 0.00 N ATOM 1132 CA VAL A 76 12.718 -2.365 -1.788 1.00 0.00 C ATOM 1133 C VAL A 76 12.007 -3.513 -2.415 1.00 0.00 C ATOM 1134 O VAL A 76 11.105 -3.336 -3.232 1.00 0.00 O ATOM 1135 CB VAL A 76 13.081 -1.377 -2.911 1.00 0.00 C ATOM 1136 CG1 VAL A 76 13.456 -0.027 -2.321 1.00 0.00 C ATOM 1137 CG2 VAL A 76 14.250 -1.973 -3.683 1.00 0.00 C ATOM 0 H VAL A 76 14.515 -3.430 -1.650 1.00 0.00 H new ATOM 0 HA VAL A 76 12.087 -1.868 -1.051 1.00 0.00 H new ATOM 0 HB VAL A 76 12.232 -1.219 -3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.711 0.663 -3.125 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.613 0.370 -1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.314 -0.145 -1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.535 -1.298 -4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 76 15.096 -2.113 -3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.956 -2.935 -4.102 1.00 0.00 H new ATOM 1147 N GLU A 77 12.436 -4.690 -2.034 1.00 0.00 N ATOM 1148 CA GLU A 77 11.855 -5.901 -2.582 1.00 0.00 C ATOM 1149 C GLU A 77 11.357 -5.548 -3.969 1.00 0.00 C ATOM 1150 O GLU A 77 10.237 -5.887 -4.342 1.00 0.00 O ATOM 1151 CB GLU A 77 10.704 -6.356 -1.684 1.00 0.00 C ATOM 1152 CG GLU A 77 11.002 -7.623 -0.900 1.00 0.00 C ATOM 1153 CD GLU A 77 11.768 -7.351 0.380 1.00 0.00 C ATOM 1154 OE1 GLU A 77 11.938 -6.164 0.730 1.00 0.00 O ATOM 1155 OE2 GLU A 77 12.200 -8.325 1.031 1.00 0.00 O ATOM 0 H GLU A 77 13.179 -4.841 -1.352 1.00 0.00 H new ATOM 0 HA GLU A 77 12.576 -6.717 -2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.463 -5.555 -0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.819 -6.520 -2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.065 -8.125 -0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.577 -8.306 -1.525 1.00 0.00 H new ATOM 1162 N ASN A 78 12.197 -4.771 -4.679 1.00 0.00 N ATOM 1163 CA ASN A 78 11.846 -4.218 -5.994 1.00 0.00 C ATOM 1164 C ASN A 78 10.471 -4.703 -6.327 1.00 0.00 C ATOM 1165 O ASN A 78 10.242 -5.413 -7.306 1.00 0.00 O ATOM 1166 CB ASN A 78 12.823 -4.561 -7.117 1.00 0.00 C ATOM 1167 CG ASN A 78 13.910 -5.502 -6.700 1.00 0.00 C ATOM 1168 OD1 ASN A 78 14.310 -5.539 -5.540 1.00 0.00 O ATOM 1169 ND2 ASN A 78 14.407 -6.256 -7.665 1.00 0.00 N ATOM 0 H ASN A 78 13.130 -4.513 -4.358 1.00 0.00 H new ATOM 0 HA ASN A 78 11.894 -3.132 -5.920 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.270 -5.003 -7.946 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.274 -3.641 -7.489 1.00 0.00 H new ATOM 0 HD21 ASN A 78 15.162 -6.911 -7.463 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.035 -6.183 -8.612 1.00 0.00 H new ATOM 1176 N HIS A 79 9.573 -4.356 -5.431 1.00 0.00 N ATOM 1177 CA HIS A 79 8.205 -4.782 -5.514 1.00 0.00 C ATOM 1178 C HIS A 79 7.761 -4.996 -6.933 1.00 0.00 C ATOM 1179 O HIS A 79 7.298 -4.097 -7.626 1.00 0.00 O ATOM 1180 CB HIS A 79 7.292 -3.829 -4.781 1.00 0.00 C ATOM 1181 CG HIS A 79 7.657 -3.747 -3.350 1.00 0.00 C ATOM 1182 ND1 HIS A 79 8.687 -4.335 -2.711 1.00 0.00 N flip ATOM 1183 CD2 HIS A 79 6.981 -3.020 -2.410 1.00 0.00 C flip ATOM 1184 CE1 HIS A 79 8.661 -3.974 -1.369 1.00 0.00 C flip ATOM 1185 NE2 HIS A 79 7.616 -3.179 -1.241 1.00 0.00 N flip ATOM 0 H HIS A 79 9.778 -3.768 -4.623 1.00 0.00 H new ATOM 0 HA HIS A 79 8.140 -5.751 -5.019 1.00 0.00 H new ATOM 0 HB2 HIS A 79 7.353 -2.839 -5.234 1.00 0.00 H new ATOM 0 HB3 HIS A 79 6.258 -4.161 -4.879 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.096 -2.425 -2.579 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.350 -4.279 -0.595 1.00 0.00 H new ATOM 0 HE2 HIS A 79 7.329 -2.742 -0.365 1.00 0.00 H new ATOM 1193 N THR A 80 7.887 -6.225 -7.331 1.00 0.00 N ATOM 1194 CA THR A 80 7.487 -6.640 -8.655 1.00 0.00 C ATOM 1195 C THR A 80 5.971 -6.703 -8.700 1.00 0.00 C ATOM 1196 O THR A 80 5.359 -6.750 -9.767 1.00 0.00 O ATOM 1197 CB THR A 80 8.129 -7.982 -8.980 1.00 0.00 C ATOM 1198 OG1 THR A 80 7.275 -9.054 -8.622 1.00 0.00 O ATOM 1199 CG2 THR A 80 9.451 -8.167 -8.261 1.00 0.00 C ATOM 0 H THR A 80 8.269 -6.974 -6.753 1.00 0.00 H new ATOM 0 HA THR A 80 7.823 -5.929 -9.409 1.00 0.00 H new ATOM 0 HB THR A 80 8.304 -7.985 -10.056 1.00 0.00 H new ATOM 0 HG1 THR A 80 6.709 -8.784 -7.869 1.00 0.00 H new ATOM 0 HG21 THR A 80 9.874 -9.137 -8.521 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.141 -7.378 -8.560 1.00 0.00 H new ATOM 0 HG23 THR A 80 9.289 -8.119 -7.184 1.00 0.00 H new ATOM 1207 N ALA A 81 5.379 -6.676 -7.506 1.00 0.00 N ATOM 1208 CA ALA A 81 3.934 -6.700 -7.350 1.00 0.00 C ATOM 1209 C ALA A 81 3.556 -6.337 -5.914 1.00 0.00 C ATOM 1210 O ALA A 81 4.299 -6.645 -4.984 1.00 0.00 O ATOM 1211 CB ALA A 81 3.390 -8.069 -7.724 1.00 0.00 C ATOM 0 H ALA A 81 5.891 -6.637 -6.625 1.00 0.00 H new ATOM 0 HA ALA A 81 3.490 -5.962 -8.019 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.307 -8.075 -7.603 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.641 -8.289 -8.762 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.832 -8.826 -7.076 1.00 0.00 H new ATOM 1217 N CYS A 82 2.409 -5.682 -5.732 1.00 0.00 N ATOM 1218 CA CYS A 82 1.953 -5.292 -4.395 1.00 0.00 C ATOM 1219 C CYS A 82 0.506 -5.707 -4.169 1.00 0.00 C ATOM 1220 O CYS A 82 -0.269 -5.829 -5.118 1.00 0.00 O ATOM 1221 CB CYS A 82 2.089 -3.788 -4.176 1.00 0.00 C ATOM 1222 SG CYS A 82 2.329 -3.338 -2.425 1.00 0.00 S ATOM 0 H CYS A 82 1.781 -5.411 -6.488 1.00 0.00 H new ATOM 0 HA CYS A 82 2.590 -5.809 -3.677 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.932 -3.417 -4.759 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.196 -3.290 -4.554 1.00 0.00 H new ATOM 1227 N HIS A 83 0.143 -5.918 -2.908 1.00 0.00 N ATOM 1228 CA HIS A 83 -1.216 -6.314 -2.567 1.00 0.00 C ATOM 1229 C HIS A 83 -1.501 -6.095 -1.081 1.00 0.00 C ATOM 1230 O HIS A 83 -0.845 -6.680 -0.220 1.00 0.00 O ATOM 1231 CB HIS A 83 -1.454 -7.778 -2.939 1.00 0.00 C ATOM 1232 CG HIS A 83 -0.705 -8.748 -2.081 1.00 0.00 C ATOM 1233 ND1 HIS A 83 -1.119 -10.048 -1.883 1.00 0.00 N ATOM 1234 CD2 HIS A 83 0.439 -8.607 -1.371 1.00 0.00 C ATOM 1235 CE1 HIS A 83 -0.265 -10.664 -1.088 1.00 0.00 C ATOM 1236 NE2 HIS A 83 0.690 -9.813 -0.762 1.00 0.00 N ATOM 0 H HIS A 83 0.769 -5.821 -2.109 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.900 -5.687 -3.139 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.520 -7.993 -2.868 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -1.167 -7.930 -3.979 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -1.955 -10.468 -2.288 1.00 0.00 H new ATOM 0 HD2 HIS A 83 1.042 -7.714 -1.297 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.335 -11.690 -0.760 1.00 0.00 H new ATOM 1245 N CYS A 84 -2.489 -5.249 -0.789 1.00 0.00 N ATOM 1246 CA CYS A 84 -2.871 -4.951 0.590 1.00 0.00 C ATOM 1247 C CYS A 84 -3.784 -6.038 1.143 1.00 0.00 C ATOM 1248 O CYS A 84 -4.561 -6.637 0.401 1.00 0.00 O ATOM 1249 CB CYS A 84 -3.580 -3.597 0.665 1.00 0.00 C ATOM 1250 SG CYS A 84 -5.357 -3.670 0.268 1.00 0.00 S ATOM 0 H CYS A 84 -3.040 -4.757 -1.492 1.00 0.00 H new ATOM 0 HA CYS A 84 -1.963 -4.914 1.192 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -3.459 -3.190 1.669 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -3.093 -2.904 -0.021 1.00 0.00 H new ATOM 1255 N SER A 85 -3.687 -6.276 2.452 1.00 0.00 N ATOM 1256 CA SER A 85 -4.507 -7.285 3.129 1.00 0.00 C ATOM 1257 C SER A 85 -3.657 -8.167 4.036 1.00 0.00 C ATOM 1258 O SER A 85 -3.890 -9.371 4.136 1.00 0.00 O ATOM 1259 CB SER A 85 -5.249 -8.165 2.119 1.00 0.00 C ATOM 1260 OG SER A 85 -4.346 -8.784 1.219 1.00 0.00 O ATOM 0 H SER A 85 -3.044 -5.780 3.069 1.00 0.00 H new ATOM 0 HA SER A 85 -5.236 -6.749 3.736 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.820 -8.928 2.648 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.965 -7.560 1.562 1.00 0.00 H new ATOM 0 HG SER A 85 -4.279 -8.247 0.402 1.00 0.00 H new ATOM 1266 N THR A 86 -2.671 -7.567 4.696 1.00 0.00 N ATOM 1267 CA THR A 86 -1.795 -8.314 5.592 1.00 0.00 C ATOM 1268 C THR A 86 -0.804 -7.388 6.291 1.00 0.00 C ATOM 1269 O THR A 86 -0.726 -6.199 5.983 1.00 0.00 O ATOM 1270 CB THR A 86 -1.038 -9.392 4.812 1.00 0.00 C ATOM 1271 OG1 THR A 86 -0.865 -9.006 3.460 1.00 0.00 O ATOM 1272 CG2 THR A 86 -1.731 -10.738 4.819 1.00 0.00 C ATOM 0 H THR A 86 -2.459 -6.572 4.628 1.00 0.00 H new ATOM 0 HA THR A 86 -2.416 -8.788 6.352 1.00 0.00 H new ATOM 0 HB THR A 86 -0.079 -9.493 5.320 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.378 -9.707 2.979 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.140 -11.454 4.248 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.834 -11.089 5.846 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.719 -10.641 4.368 1.00 0.00 H new ATOM 1280 N CYS A 87 -0.047 -7.944 7.232 1.00 0.00 N ATOM 1281 CA CYS A 87 0.944 -7.173 7.975 1.00 0.00 C ATOM 1282 C CYS A 87 0.280 -6.053 8.773 1.00 0.00 C ATOM 1283 O CYS A 87 -0.786 -5.560 8.404 1.00 0.00 O ATOM 1284 CB CYS A 87 1.993 -6.601 7.014 1.00 0.00 C ATOM 1285 SG CYS A 87 2.106 -4.780 7.002 1.00 0.00 S ATOM 0 H CYS A 87 -0.101 -8.927 7.498 1.00 0.00 H new ATOM 0 HA CYS A 87 1.439 -7.839 8.682 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.968 -7.010 7.278 1.00 0.00 H new ATOM 0 HB3 CYS A 87 1.766 -6.944 6.005 1.00 0.00 H new ATOM 1290 N TYR A 88 0.923 -5.654 9.867 1.00 0.00 N ATOM 1291 CA TYR A 88 0.401 -4.590 10.717 1.00 0.00 C ATOM 1292 C TYR A 88 1.508 -3.615 11.105 1.00 0.00 C ATOM 1293 O TYR A 88 2.668 -3.798 10.735 1.00 0.00 O ATOM 1294 CB TYR A 88 -0.239 -5.179 11.975 1.00 0.00 C ATOM 1295 CG TYR A 88 0.566 -6.295 12.601 1.00 0.00 C ATOM 1296 CD1 TYR A 88 0.704 -7.521 11.962 1.00 0.00 C ATOM 1297 CD2 TYR A 88 1.188 -6.122 13.831 1.00 0.00 C ATOM 1298 CE1 TYR A 88 1.438 -8.543 12.531 1.00 0.00 C ATOM 1299 CE2 TYR A 88 1.924 -7.139 14.406 1.00 0.00 C ATOM 1300 CZ TYR A 88 2.047 -8.347 13.753 1.00 0.00 C ATOM 1301 OH TYR A 88 2.780 -9.362 14.323 1.00 0.00 O ATOM 0 H TYR A 88 1.807 -6.052 10.185 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.358 -4.048 10.153 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.374 -4.385 12.709 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.231 -5.555 11.725 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.229 -7.677 11.005 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.094 -5.177 14.346 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.535 -9.491 12.022 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.401 -6.989 15.363 1.00 0.00 H new ATOM 0 HH TYR A 88 3.143 -9.061 15.182 1.00 0.00 H new ATOM 1311 N TYR A 89 1.144 -2.577 11.850 1.00 0.00 N ATOM 1312 CA TYR A 89 2.108 -1.572 12.285 1.00 0.00 C ATOM 1313 C TYR A 89 1.879 -1.190 13.744 1.00 0.00 C ATOM 1314 O TYR A 89 0.803 -0.716 14.110 1.00 0.00 O ATOM 1315 CB TYR A 89 2.010 -0.328 11.401 1.00 0.00 C ATOM 1316 CG TYR A 89 3.341 0.348 11.153 1.00 0.00 C ATOM 1317 CD1 TYR A 89 4.289 0.452 12.163 1.00 0.00 C ATOM 1318 CD2 TYR A 89 3.647 0.881 9.907 1.00 0.00 C ATOM 1319 CE1 TYR A 89 5.505 1.071 11.939 1.00 0.00 C ATOM 1320 CE2 TYR A 89 4.861 1.501 9.676 1.00 0.00 C ATOM 1321 CZ TYR A 89 5.786 1.593 10.694 1.00 0.00 C ATOM 1322 OH TYR A 89 6.996 2.210 10.467 1.00 0.00 O ATOM 0 H TYR A 89 0.189 -2.409 12.165 1.00 0.00 H new ATOM 0 HA TYR A 89 3.106 -2.000 12.193 1.00 0.00 H new ATOM 0 HB2 TYR A 89 1.570 -0.607 10.444 1.00 0.00 H new ATOM 0 HB3 TYR A 89 1.331 0.386 11.867 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.073 0.043 13.139 1.00 0.00 H new ATOM 0 HD2 TYR A 89 2.925 0.810 9.107 1.00 0.00 H new ATOM 0 HE1 TYR A 89 6.231 1.145 12.735 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.084 1.911 8.702 1.00 0.00 H new ATOM 0 HH TYR A 89 7.035 2.521 9.539 1.00 0.00 H new ATOM 1332 N HIS A 90 2.897 -1.400 14.571 1.00 0.00 N ATOM 1333 CA HIS A 90 2.810 -1.079 15.991 1.00 0.00 C ATOM 1334 C HIS A 90 2.379 0.371 16.199 1.00 0.00 C ATOM 1335 O HIS A 90 1.942 1.040 15.263 1.00 0.00 O ATOM 1336 CB HIS A 90 4.156 -1.330 16.673 1.00 0.00 C ATOM 1337 CG HIS A 90 5.283 -0.540 16.086 1.00 0.00 C ATOM 1338 ND1 HIS A 90 5.358 0.835 16.159 1.00 0.00 N ATOM 1339 CD2 HIS A 90 6.389 -0.939 15.413 1.00 0.00 C ATOM 1340 CE1 HIS A 90 6.459 1.248 15.556 1.00 0.00 C ATOM 1341 NE2 HIS A 90 7.102 0.191 15.095 1.00 0.00 N ATOM 0 H HIS A 90 3.793 -1.792 14.282 1.00 0.00 H new ATOM 0 HA HIS A 90 2.057 -1.727 16.440 1.00 0.00 H new ATOM 0 HB2 HIS A 90 4.067 -1.089 17.732 1.00 0.00 H new ATOM 0 HB3 HIS A 90 4.395 -2.391 16.607 1.00 0.00 H new ATOM 0 HD2 HIS A 90 6.660 -1.956 15.172 1.00 0.00 H new ATOM 0 HE1 HIS A 90 6.778 2.275 15.457 1.00 0.00 H new ATOM 0 HE2 HIS A 90 7.985 0.210 14.585 1.00 0.00 H new ATOM 1350 N LYS A 91 2.502 0.849 17.433 1.00 0.00 N ATOM 1351 CA LYS A 91 2.122 2.218 17.766 1.00 0.00 C ATOM 1352 C LYS A 91 0.623 2.316 18.032 1.00 0.00 C ATOM 1353 O LYS A 91 -0.182 2.347 17.101 1.00 0.00 O ATOM 1354 CB LYS A 91 2.514 3.172 16.636 1.00 0.00 C ATOM 1355 CG LYS A 91 3.113 4.479 17.127 1.00 0.00 C ATOM 1356 CD LYS A 91 2.203 5.167 18.132 1.00 0.00 C ATOM 1357 CE LYS A 91 2.892 5.348 19.475 1.00 0.00 C ATOM 1358 NZ LYS A 91 2.064 4.830 20.599 1.00 0.00 N ATOM 0 H LYS A 91 2.862 0.309 18.220 1.00 0.00 H new ATOM 0 HA LYS A 91 2.655 2.504 18.673 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.232 2.675 15.984 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.633 3.389 16.033 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.083 4.286 17.585 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.287 5.142 16.279 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.900 6.139 17.744 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.295 4.579 18.264 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.852 4.831 19.463 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.101 6.406 19.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.384 5.258 21.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.066 5.074 20.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.163 3.796 20.656 1.00 0.00 H new ATOM 1372 N SER A 92 0.255 2.364 19.309 1.00 0.00 N ATOM 1373 CA SER A 92 -1.149 2.458 19.696 1.00 0.00 C ATOM 1374 C SER A 92 -1.978 1.379 19.006 1.00 0.00 C ATOM 1375 O SER A 92 -1.626 0.188 19.138 1.00 0.00 O ATOM 1376 CB SER A 92 -1.703 3.842 19.352 1.00 0.00 C ATOM 1377 OG SER A 92 -1.620 4.095 17.959 1.00 0.00 O ATOM 1378 OXT SER A 92 -2.973 1.735 18.340 1.00 0.00 O ATOM 0 H SER A 92 0.908 2.339 20.092 1.00 0.00 H new ATOM 0 HA SER A 92 -1.214 2.306 20.773 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.741 3.912 19.676 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.147 4.605 19.897 1.00 0.00 H new ATOM 0 HG SER A 92 -1.458 3.254 17.483 1.00 0.00 H new TER 1384 SER A 92