USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 667 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 62 THR OG1 : rot -107:sc= 1.42 USER MOD Set 1.2: A 81 CYS SG : rot 90:sc= -0.825 USER MOD Set 1.3: A 95 CYS SG : rot 32:sc= 1.05 USER MOD Set 2.1: A 48 ASN : amide:sc= -1.19 K(o=-6.9,f=-4.6) USER MOD Set 2.2: A 73 ASN : amide:sc= -6.83! C(o=-6.9!,f=-4.6!) USER MOD Set 2.3: A 74 SER OG : rot -26:sc= 1.12 USER MOD Set 3.1: A 52 CYS SG : rot 120:sc= 1.22 USER MOD Set 3.2: A 56 ASN : amide:sc= -5.28! C(o=-3.5!,f=-2.6!) USER MOD Set 3.3: A 65 CYS SG : rot 161:sc= 0.606 USER MOD Set 4.1: A 59 CYS SG : rot -85:sc= -4.3! USER MOD Set 4.2: A 79 CYS SG : rot 97:sc= 0.237 USER MOD Set 5.1: A 32 CYS SG : rot 150:sc= 1.11 USER MOD Set 5.2: A 44 CYS SG : rot -80:sc= -4.64! USER MOD Set 6.1: A 16 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00751) USER MOD Set 6.2: A 17 ASN : amide:sc= -1.32! C(o=-1.3!,f=-2.4!) USER MOD Set 7.1: A 8 CYS SG : rot 163:sc= 1.17 USER MOD Set 7.2: A 20 CYS SG : rot 19:sc= 0.761 USER MOD Set 7.3: A 89 TYR OH : rot -119:sc= 0.402 USER MOD Single : A 5 LYS NZ :NH3+ 157:sc= 0.98 (180deg=-0.406) USER MOD Single : A 6 HIS : no HD1:sc= -4.78! C(o=-4.8!,f=-5.7!) USER MOD Single : A 11 THR OG1 : rot 18:sc= 0.523 USER MOD Single : A 27 THR OG1 : rot 92:sc= 1.27 USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= -0.0443 (180deg=-0.284) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 155:sc= -0.157 (180deg=-0.703) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot -150:sc= -3.27! USER MOD Single : A 47 ASN : amide:sc= -2.69! C(o=-2.7!,f=-3.8!) USER MOD Single : A 49 ASN : amide:sc= 0.111 X(o=0.11,f=0) USER MOD Single : A 51 THR OG1 : rot -72:sc= 0.0525 USER MOD Single : A 55 ASN : amide:sc= -0.822 X(o=-0.82,f=-1) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -1.13 K(o=-1.1,f=-4.3!) USER MOD Single : A 67 ASN : amide:sc= -1.61! K(o=-1.6!,f=-0.11) USER MOD Single : A 70 SER OG : rot 150:sc= 0 USER MOD Single : A 71 THR OG1 : rot -29:sc= 0.0869 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -110:sc= -2.89! (180deg=-3.97!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -11:sc= 0.193 USER MOD Single : A 87 ASN : amide:sc= -2.46! X(o=-2.5!,f=-2.1) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -50:sc= 0.813 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 -11.185 -8.742 3.455 1.00 0.00 N ATOM 27 CA ASP A 3 -11.869 -8.675 2.172 1.00 0.00 C ATOM 28 C ASP A 3 -11.648 -7.332 1.496 1.00 0.00 C ATOM 29 O ASP A 3 -12.410 -6.420 1.692 1.00 0.00 O ATOM 30 CB ASP A 3 -13.374 -8.877 2.383 1.00 0.00 C ATOM 31 CG ASP A 3 -13.916 -8.106 3.583 1.00 0.00 C ATOM 32 OD1 ASP A 3 -13.839 -8.632 4.713 1.00 0.00 O ATOM 33 OD2 ASP A 3 -14.430 -6.982 3.406 1.00 0.00 O ATOM 0 HA ASP A 3 -11.462 -9.459 1.534 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.907 -8.563 1.485 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.577 -9.939 2.519 1.00 0.00 H new ATOM 38 N PRO A 4 -10.620 -7.230 0.652 1.00 0.00 N ATOM 39 CA PRO A 4 -10.312 -6.058 -0.183 1.00 0.00 C ATOM 40 C PRO A 4 -11.497 -5.298 -0.804 1.00 0.00 C ATOM 41 O PRO A 4 -11.322 -4.151 -1.186 1.00 0.00 O ATOM 42 CB PRO A 4 -9.517 -6.717 -1.293 1.00 0.00 C ATOM 43 CG PRO A 4 -8.748 -7.787 -0.636 1.00 0.00 C ATOM 44 CD PRO A 4 -9.546 -8.226 0.546 1.00 0.00 C ATOM 0 HA PRO A 4 -9.833 -5.283 0.415 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.175 -7.121 -2.062 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -8.856 -6.001 -1.782 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -8.580 -8.619 -1.320 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -7.767 -7.425 -0.328 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.947 -9.229 0.404 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -8.937 -8.251 1.450 1.00 0.00 H new ATOM 52 N LYS A 5 -12.674 -5.919 -0.906 1.00 0.00 N ATOM 53 CA LYS A 5 -13.910 -5.296 -1.464 1.00 0.00 C ATOM 54 C LYS A 5 -14.242 -3.891 -0.893 1.00 0.00 C ATOM 55 O LYS A 5 -15.299 -3.336 -1.176 1.00 0.00 O ATOM 56 CB LYS A 5 -15.084 -6.226 -1.202 1.00 0.00 C ATOM 57 CG LYS A 5 -15.266 -6.501 0.273 1.00 0.00 C ATOM 58 CD LYS A 5 -16.254 -5.541 0.918 1.00 0.00 C ATOM 59 CE LYS A 5 -17.393 -6.279 1.601 1.00 0.00 C ATOM 60 NZ LYS A 5 -16.900 -7.298 2.562 1.00 0.00 N ATOM 0 H LYS A 5 -12.813 -6.883 -0.603 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.726 -5.151 -2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.995 -5.783 -1.604 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.927 -7.167 -1.730 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.614 -7.525 0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.303 -6.422 0.777 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -15.734 -4.920 1.647 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.658 -4.871 0.159 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.026 -5.563 2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.015 -6.762 0.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.638 -7.496 3.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.666 -8.173 2.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.050 -6.940 3.042 1.00 0.00 H new ATOM 74 N HIS A 6 -13.349 -3.360 -0.077 1.00 0.00 N ATOM 75 CA HIS A 6 -13.490 -2.070 0.591 1.00 0.00 C ATOM 76 C HIS A 6 -13.580 -0.936 -0.425 1.00 0.00 C ATOM 77 O HIS A 6 -14.036 0.158 -0.107 1.00 0.00 O ATOM 78 CB HIS A 6 -12.249 -1.821 1.445 1.00 0.00 C ATOM 79 CG HIS A 6 -12.004 -2.804 2.535 1.00 0.00 C ATOM 80 ND1 HIS A 6 -11.096 -2.596 3.547 1.00 0.00 N ATOM 81 CD2 HIS A 6 -12.492 -4.034 2.725 1.00 0.00 C ATOM 82 CE1 HIS A 6 -11.042 -3.668 4.308 1.00 0.00 C ATOM 83 NE2 HIS A 6 -11.891 -4.555 3.839 1.00 0.00 N ATOM 0 H HIS A 6 -12.472 -3.829 0.150 1.00 0.00 H new ATOM 0 HA HIS A 6 -14.398 -2.094 1.194 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.377 -1.808 0.790 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.329 -0.828 1.888 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -13.229 -4.528 2.109 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.407 -3.797 5.172 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -12.072 -5.476 4.238 1.00 0.00 H new ATOM 92 N VAL A 7 -13.107 -1.240 -1.634 1.00 0.00 N ATOM 93 CA VAL A 7 -13.103 -0.325 -2.793 1.00 0.00 C ATOM 94 C VAL A 7 -12.459 1.013 -2.520 1.00 0.00 C ATOM 95 O VAL A 7 -11.692 1.156 -1.583 1.00 0.00 O ATOM 96 CB VAL A 7 -14.519 -0.141 -3.408 1.00 0.00 C ATOM 97 CG1 VAL A 7 -15.187 -1.491 -3.626 1.00 0.00 C ATOM 98 CG2 VAL A 7 -15.407 0.766 -2.565 1.00 0.00 C ATOM 0 H VAL A 7 -12.704 -2.152 -1.848 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.473 -0.823 -3.530 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.386 0.350 -4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.177 -1.342 -4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.582 -2.091 -4.306 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.281 -2.009 -2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.384 0.861 -3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.526 0.336 -1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.947 1.751 -2.482 1.00 0.00 H new ATOM 108 N CYS A 8 -12.643 1.922 -3.463 1.00 0.00 N ATOM 109 CA CYS A 8 -12.245 3.303 -3.306 1.00 0.00 C ATOM 110 C CYS A 8 -13.094 4.170 -4.225 1.00 0.00 C ATOM 111 O CYS A 8 -13.434 3.756 -5.332 1.00 0.00 O ATOM 112 CB CYS A 8 -10.753 3.456 -3.588 1.00 0.00 C ATOM 113 SG CYS A 8 -10.274 3.249 -5.320 1.00 0.00 S ATOM 0 H CYS A 8 -13.076 1.717 -4.363 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.410 3.630 -2.279 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.436 4.444 -3.255 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.209 2.727 -2.987 1.00 0.00 H new ATOM 0 HG CYS A 8 -9.085 3.741 -5.503 1.00 0.00 H new ATOM 119 N VAL A 9 -13.466 5.353 -3.757 1.00 0.00 N ATOM 120 CA VAL A 9 -14.407 6.183 -4.497 1.00 0.00 C ATOM 121 C VAL A 9 -13.863 7.592 -4.722 1.00 0.00 C ATOM 122 O VAL A 9 -13.892 8.114 -5.835 1.00 0.00 O ATOM 123 CB VAL A 9 -15.760 6.290 -3.755 1.00 0.00 C ATOM 124 CG1 VAL A 9 -16.805 6.967 -4.632 1.00 0.00 C ATOM 125 CG2 VAL A 9 -16.243 4.920 -3.297 1.00 0.00 C ATOM 0 H VAL A 9 -13.136 5.756 -2.880 1.00 0.00 H new ATOM 0 HA VAL A 9 -14.553 5.698 -5.462 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.609 6.906 -2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.748 7.031 -4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -16.467 7.970 -4.892 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -16.949 6.385 -5.542 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.196 5.025 -2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -16.371 4.271 -4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.508 4.482 -2.621 1.00 0.00 H new ATOM 135 N ASP A 10 -13.360 8.193 -3.657 1.00 0.00 N ATOM 136 CA ASP A 10 -12.928 9.587 -3.697 1.00 0.00 C ATOM 137 C ASP A 10 -11.414 9.672 -3.749 1.00 0.00 C ATOM 138 O ASP A 10 -10.839 9.989 -4.788 1.00 0.00 O ATOM 139 CB ASP A 10 -13.457 10.327 -2.470 1.00 0.00 C ATOM 140 CG ASP A 10 -13.008 11.774 -2.402 1.00 0.00 C ATOM 141 OD1 ASP A 10 -11.890 12.030 -1.908 1.00 0.00 O ATOM 142 OD2 ASP A 10 -13.785 12.655 -2.808 1.00 0.00 O ATOM 0 H ASP A 10 -13.239 7.740 -2.751 1.00 0.00 H new ATOM 0 HA ASP A 10 -13.329 10.055 -4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.546 10.292 -2.475 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.125 9.808 -1.571 1.00 0.00 H new ATOM 147 N THR A 11 -10.781 9.388 -2.617 1.00 0.00 N ATOM 148 CA THR A 11 -9.329 9.299 -2.522 1.00 0.00 C ATOM 149 C THR A 11 -8.623 10.537 -3.093 1.00 0.00 C ATOM 150 O THR A 11 -7.612 10.425 -3.783 1.00 0.00 O ATOM 151 CB THR A 11 -8.799 8.007 -3.193 1.00 0.00 C ATOM 152 OG1 THR A 11 -9.235 7.904 -4.556 1.00 0.00 O ATOM 153 CG2 THR A 11 -9.273 6.785 -2.422 1.00 0.00 C ATOM 0 H THR A 11 -11.263 9.212 -1.735 1.00 0.00 H new ATOM 0 HA THR A 11 -9.092 9.258 -1.459 1.00 0.00 H new ATOM 0 HB THR A 11 -7.710 8.054 -3.182 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.529 8.784 -4.873 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.895 5.883 -2.902 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.902 6.834 -1.398 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.363 6.761 -2.412 1.00 0.00 H new ATOM 161 N ARG A 12 -9.167 11.718 -2.807 1.00 0.00 N ATOM 162 CA ARG A 12 -8.527 12.964 -3.196 1.00 0.00 C ATOM 163 C ARG A 12 -7.519 13.386 -2.126 1.00 0.00 C ATOM 164 O ARG A 12 -6.610 14.175 -2.379 1.00 0.00 O ATOM 165 CB ARG A 12 -9.570 14.048 -3.428 1.00 0.00 C ATOM 166 CG ARG A 12 -9.785 14.900 -2.219 1.00 0.00 C ATOM 167 CD ARG A 12 -10.312 16.269 -2.595 1.00 0.00 C ATOM 168 NE ARG A 12 -10.639 17.078 -1.425 1.00 0.00 N ATOM 169 CZ ARG A 12 -9.935 18.137 -1.022 1.00 0.00 C ATOM 170 NH1 ARG A 12 -8.809 18.478 -1.646 1.00 0.00 N ATOM 171 NH2 ARG A 12 -10.357 18.858 0.009 1.00 0.00 N ATOM 0 H ARG A 12 -10.049 11.834 -2.308 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.991 12.813 -4.133 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.257 14.677 -4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.514 13.585 -3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.489 14.409 -1.547 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.846 15.006 -1.675 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.567 16.790 -3.197 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.201 16.156 -3.215 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.460 16.816 -0.879 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.479 17.928 -2.439 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.277 19.289 -1.331 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.218 18.602 0.492 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.820 19.668 0.319 1.00 0.00 H new ATOM 185 N ASP A 13 -7.683 12.835 -0.927 1.00 0.00 N ATOM 186 CA ASP A 13 -6.740 13.060 0.168 1.00 0.00 C ATOM 187 C ASP A 13 -5.507 12.189 -0.032 1.00 0.00 C ATOM 188 O ASP A 13 -4.529 12.277 0.710 1.00 0.00 O ATOM 189 CB ASP A 13 -7.408 12.727 1.504 1.00 0.00 C ATOM 190 CG ASP A 13 -6.544 13.050 2.712 1.00 0.00 C ATOM 191 OD1 ASP A 13 -5.944 14.148 2.758 1.00 0.00 O ATOM 192 OD2 ASP A 13 -6.471 12.206 3.630 1.00 0.00 O ATOM 0 H ASP A 13 -8.465 12.225 -0.686 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.438 14.107 0.176 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.345 13.279 1.580 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.660 11.667 1.521 1.00 0.00 H new ATOM 197 N ILE A 14 -5.572 11.352 -1.055 1.00 0.00 N ATOM 198 CA ILE A 14 -4.506 10.420 -1.371 1.00 0.00 C ATOM 199 C ILE A 14 -3.389 11.136 -2.140 1.00 0.00 C ATOM 200 O ILE A 14 -3.574 11.581 -3.277 1.00 0.00 O ATOM 201 CB ILE A 14 -5.046 9.208 -2.180 1.00 0.00 C ATOM 202 CG1 ILE A 14 -5.790 8.194 -1.275 1.00 0.00 C ATOM 203 CG2 ILE A 14 -3.908 8.505 -2.913 1.00 0.00 C ATOM 204 CD1 ILE A 14 -6.808 8.780 -0.308 1.00 0.00 C ATOM 0 H ILE A 14 -6.368 11.301 -1.690 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.095 10.037 -0.437 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.759 9.598 -2.906 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.300 7.473 -1.914 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.049 7.640 -0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.305 7.659 -3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.431 9.204 -3.600 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.174 8.149 -2.190 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.264 7.977 0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.310 9.477 0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.581 9.307 -0.868 1.00 0.00 H new ATOM 216 N PRO A 15 -2.232 11.284 -1.481 1.00 0.00 N ATOM 217 CA PRO A 15 -1.057 11.996 -2.011 1.00 0.00 C ATOM 218 C PRO A 15 -0.356 11.281 -3.160 1.00 0.00 C ATOM 219 O PRO A 15 -0.778 10.214 -3.610 1.00 0.00 O ATOM 220 CB PRO A 15 -0.104 12.069 -0.816 1.00 0.00 C ATOM 221 CG PRO A 15 -0.917 11.700 0.371 1.00 0.00 C ATOM 222 CD PRO A 15 -1.997 10.795 -0.124 1.00 0.00 C ATOM 0 HA PRO A 15 -1.360 12.959 -2.423 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.736 11.386 -0.943 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.313 13.070 -0.709 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.305 11.200 1.121 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.339 12.587 0.844 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.684 9.751 -0.119 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.894 10.862 0.491 1.00 0.00 H new ATOM 230 N LYS A 16 0.733 11.891 -3.626 1.00 0.00 N ATOM 231 CA LYS A 16 1.559 11.308 -4.671 1.00 0.00 C ATOM 232 C LYS A 16 2.331 10.108 -4.132 1.00 0.00 C ATOM 233 O LYS A 16 2.555 10.002 -2.920 1.00 0.00 O ATOM 234 CB LYS A 16 2.542 12.347 -5.226 1.00 0.00 C ATOM 235 CG LYS A 16 3.977 12.134 -4.784 1.00 0.00 C ATOM 236 CD LYS A 16 4.908 13.186 -5.354 1.00 0.00 C ATOM 237 CE LYS A 16 4.823 13.273 -6.870 1.00 0.00 C ATOM 238 NZ LYS A 16 5.221 12.003 -7.534 1.00 0.00 N ATOM 0 H LYS A 16 1.062 12.796 -3.290 1.00 0.00 H new ATOM 0 HA LYS A 16 0.903 10.978 -5.476 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.501 12.326 -6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.220 13.340 -4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.028 12.156 -3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.311 11.145 -5.099 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.663 14.157 -4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.933 12.957 -5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.804 13.527 -7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.465 14.080 -7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.179 12.123 -8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.191 11.754 -7.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.572 11.243 -7.247 1.00 0.00 H new ATOM 252 N ASN A 17 2.758 9.234 -5.048 1.00 0.00 N ATOM 253 CA ASN A 17 3.491 8.001 -4.709 1.00 0.00 C ATOM 254 C ASN A 17 2.730 7.150 -3.698 1.00 0.00 C ATOM 255 O ASN A 17 3.278 6.212 -3.107 1.00 0.00 O ATOM 256 CB ASN A 17 4.869 8.346 -4.156 1.00 0.00 C ATOM 257 CG ASN A 17 5.697 9.146 -5.138 1.00 0.00 C ATOM 258 OD1 ASN A 17 5.699 8.881 -6.339 1.00 0.00 O ATOM 259 ND2 ASN A 17 6.364 10.171 -4.635 1.00 0.00 N ATOM 0 H ASN A 17 2.607 9.358 -6.049 1.00 0.00 H new ATOM 0 HA ASN A 17 3.597 7.420 -5.625 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.756 8.914 -3.232 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.397 7.427 -3.903 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.907 10.777 -5.250 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.335 10.355 -3.632 1.00 0.00 H new ATOM 266 N ALA A 18 1.472 7.485 -3.506 1.00 0.00 N ATOM 267 CA ALA A 18 0.636 6.803 -2.555 1.00 0.00 C ATOM 268 C ALA A 18 -0.530 6.157 -3.270 1.00 0.00 C ATOM 269 O ALA A 18 -1.162 6.770 -4.131 1.00 0.00 O ATOM 270 CB ALA A 18 0.144 7.783 -1.497 1.00 0.00 C ATOM 0 H ALA A 18 1.004 8.240 -4.008 1.00 0.00 H new ATOM 0 HA ALA A 18 1.214 6.024 -2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.488 7.258 -0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.998 8.216 -0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.430 8.576 -1.975 1.00 0.00 H new ATOM 276 N GLY A 19 -0.791 4.913 -2.929 1.00 0.00 N ATOM 277 CA GLY A 19 -1.914 4.216 -3.507 1.00 0.00 C ATOM 278 C GLY A 19 -3.196 4.599 -2.802 1.00 0.00 C ATOM 279 O GLY A 19 -3.157 5.060 -1.659 1.00 0.00 O ATOM 0 H GLY A 19 -0.245 4.370 -2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.990 4.454 -4.568 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.759 3.140 -3.433 1.00 0.00 H new ATOM 283 N CYS A 20 -4.325 4.428 -3.454 1.00 0.00 N ATOM 284 CA CYS A 20 -5.579 4.842 -2.871 1.00 0.00 C ATOM 285 C CYS A 20 -6.389 3.638 -2.412 1.00 0.00 C ATOM 286 O CYS A 20 -6.379 2.588 -3.059 1.00 0.00 O ATOM 287 CB CYS A 20 -6.369 5.667 -3.879 1.00 0.00 C ATOM 288 SG CYS A 20 -6.974 4.735 -5.308 1.00 0.00 S ATOM 0 H CYS A 20 -4.399 4.008 -4.381 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.370 5.457 -1.995 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.220 6.120 -3.370 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.739 6.483 -4.234 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.975 3.465 -5.029 1.00 0.00 H new ATOM 294 N PHE A 21 -7.068 3.784 -1.281 1.00 0.00 N ATOM 295 CA PHE A 21 -7.847 2.698 -0.721 1.00 0.00 C ATOM 296 C PHE A 21 -9.006 3.248 0.111 1.00 0.00 C ATOM 297 O PHE A 21 -8.939 4.359 0.614 1.00 0.00 O ATOM 298 CB PHE A 21 -6.917 1.838 0.139 1.00 0.00 C ATOM 299 CG PHE A 21 -7.547 0.616 0.735 1.00 0.00 C ATOM 300 CD1 PHE A 21 -8.156 -0.337 -0.068 1.00 0.00 C ATOM 301 CD2 PHE A 21 -7.520 0.418 2.105 1.00 0.00 C ATOM 302 CE1 PHE A 21 -8.727 -1.464 0.496 1.00 0.00 C ATOM 303 CE2 PHE A 21 -8.086 -0.708 2.668 1.00 0.00 C ATOM 304 CZ PHE A 21 -8.687 -1.648 1.861 1.00 0.00 C ATOM 0 H PHE A 21 -7.092 4.646 -0.737 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.276 2.091 -1.518 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.068 1.529 -0.470 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.522 2.454 0.947 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.185 -0.199 -1.139 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.050 1.154 2.741 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.204 -2.200 -0.134 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.058 -0.851 3.738 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.128 -2.531 2.299 1.00 0.00 H new ATOM 314 N ARG A 22 -10.092 2.501 0.184 1.00 0.00 N ATOM 315 CA ARG A 22 -11.154 2.756 1.138 1.00 0.00 C ATOM 316 C ARG A 22 -11.148 1.609 2.123 1.00 0.00 C ATOM 317 O ARG A 22 -10.805 0.505 1.745 1.00 0.00 O ATOM 318 CB ARG A 22 -12.522 2.780 0.453 1.00 0.00 C ATOM 319 CG ARG A 22 -13.564 3.586 1.194 1.00 0.00 C ATOM 320 CD ARG A 22 -13.646 5.020 0.697 1.00 0.00 C ATOM 321 NE ARG A 22 -14.570 5.819 1.501 1.00 0.00 N ATOM 322 CZ ARG A 22 -15.608 6.491 1.010 1.00 0.00 C ATOM 323 NH1 ARG A 22 -15.937 6.378 -0.270 1.00 0.00 N ATOM 324 NH2 ARG A 22 -16.344 7.247 1.809 1.00 0.00 N ATOM 0 H ARG A 22 -10.262 1.697 -0.420 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.988 3.722 1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.407 3.188 -0.551 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.880 1.756 0.342 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.537 3.109 1.081 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.331 3.586 2.259 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.655 5.472 0.725 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.970 5.027 -0.344 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.408 5.864 2.507 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.393 5.773 -0.885 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.734 6.896 -0.639 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.115 7.314 2.801 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.140 7.762 1.433 1.00 0.00 H new ATOM 338 N ASP A 23 -11.466 1.842 3.372 1.00 0.00 N ATOM 339 CA ASP A 23 -11.642 0.727 4.289 1.00 0.00 C ATOM 340 C ASP A 23 -13.130 0.455 4.445 1.00 0.00 C ATOM 341 O ASP A 23 -13.946 1.337 4.187 1.00 0.00 O ATOM 342 CB ASP A 23 -11.003 1.021 5.647 1.00 0.00 C ATOM 343 CG ASP A 23 -11.066 -0.175 6.569 1.00 0.00 C ATOM 344 OD1 ASP A 23 -10.415 -1.192 6.267 1.00 0.00 O ATOM 345 OD2 ASP A 23 -11.786 -0.109 7.583 1.00 0.00 O ATOM 0 H ASP A 23 -11.607 2.768 3.777 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.145 -0.154 3.882 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.963 1.314 5.503 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.511 1.866 6.112 1.00 0.00 H new ATOM 350 N ASP A 24 -13.489 -0.762 4.865 1.00 0.00 N ATOM 351 CA ASP A 24 -14.896 -1.149 4.957 1.00 0.00 C ATOM 352 C ASP A 24 -15.590 -0.378 6.079 1.00 0.00 C ATOM 353 O ASP A 24 -16.805 -0.472 6.257 1.00 0.00 O ATOM 354 CB ASP A 24 -15.057 -2.664 5.160 1.00 0.00 C ATOM 355 CG ASP A 24 -14.613 -3.145 6.526 1.00 0.00 C ATOM 356 OD1 ASP A 24 -13.419 -3.470 6.686 1.00 0.00 O ATOM 357 OD2 ASP A 24 -15.463 -3.224 7.441 1.00 0.00 O ATOM 0 H ASP A 24 -12.830 -1.489 5.144 1.00 0.00 H new ATOM 0 HA ASP A 24 -15.371 -0.894 4.010 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.103 -2.932 5.012 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.483 -3.187 4.396 1.00 0.00 H new ATOM 362 N ASP A 25 -14.796 0.368 6.841 1.00 0.00 N ATOM 363 CA ASP A 25 -15.314 1.319 7.819 1.00 0.00 C ATOM 364 C ASP A 25 -15.958 2.516 7.116 1.00 0.00 C ATOM 365 O ASP A 25 -16.899 3.124 7.628 1.00 0.00 O ATOM 366 CB ASP A 25 -14.170 1.803 8.724 1.00 0.00 C ATOM 367 CG ASP A 25 -14.527 3.041 9.523 1.00 0.00 C ATOM 368 OD1 ASP A 25 -15.159 2.907 10.593 1.00 0.00 O ATOM 369 OD2 ASP A 25 -14.180 4.157 9.079 1.00 0.00 O ATOM 0 H ASP A 25 -13.778 0.331 6.798 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.072 0.821 8.423 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.894 1.002 9.410 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.294 2.014 8.111 1.00 0.00 H new ATOM 374 N GLY A 26 -15.467 2.825 5.922 1.00 0.00 N ATOM 375 CA GLY A 26 -15.935 3.993 5.200 1.00 0.00 C ATOM 376 C GLY A 26 -14.841 5.027 5.033 1.00 0.00 C ATOM 377 O GLY A 26 -14.952 5.946 4.220 1.00 0.00 O ATOM 0 H GLY A 26 -14.749 2.285 5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -16.302 3.691 4.219 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.776 4.437 5.733 1.00 0.00 H new ATOM 381 N THR A 27 -13.781 4.876 5.807 1.00 0.00 N ATOM 382 CA THR A 27 -12.643 5.781 5.742 1.00 0.00 C ATOM 383 C THR A 27 -11.777 5.495 4.520 1.00 0.00 C ATOM 384 O THR A 27 -11.531 4.340 4.187 1.00 0.00 O ATOM 385 CB THR A 27 -11.788 5.662 7.021 1.00 0.00 C ATOM 386 OG1 THR A 27 -12.574 6.007 8.171 1.00 0.00 O ATOM 387 CG2 THR A 27 -10.557 6.556 6.958 1.00 0.00 C ATOM 0 H THR A 27 -13.683 4.129 6.494 1.00 0.00 H new ATOM 0 HA THR A 27 -13.032 6.796 5.659 1.00 0.00 H new ATOM 0 HB THR A 27 -11.453 4.628 7.100 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.989 5.199 8.538 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.980 6.445 7.876 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.942 6.268 6.105 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.867 7.595 6.848 1.00 0.00 H new ATOM 395 N LYS A 28 -11.331 6.545 3.840 1.00 0.00 N ATOM 396 CA LYS A 28 -10.406 6.370 2.731 1.00 0.00 C ATOM 397 C LYS A 28 -8.997 6.547 3.234 1.00 0.00 C ATOM 398 O LYS A 28 -8.704 7.457 4.014 1.00 0.00 O ATOM 399 CB LYS A 28 -10.648 7.356 1.589 1.00 0.00 C ATOM 400 CG LYS A 28 -11.969 8.083 1.673 1.00 0.00 C ATOM 401 CD LYS A 28 -12.032 9.246 0.701 1.00 0.00 C ATOM 402 CE LYS A 28 -13.260 10.113 0.944 1.00 0.00 C ATOM 403 NZ LYS A 28 -13.198 10.813 2.251 1.00 0.00 N ATOM 0 H LYS A 28 -11.591 7.512 4.034 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.566 5.367 2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.842 8.089 1.579 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.601 6.818 0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.781 7.388 1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.119 8.449 2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.132 9.853 0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.050 8.867 -0.321 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.349 10.847 0.144 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.155 9.492 0.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.895 11.585 2.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.410 10.141 3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.245 11.205 2.390 1.00 0.00 H new ATOM 417 N GLU A 29 -8.138 5.689 2.765 1.00 0.00 N ATOM 418 CA GLU A 29 -6.777 5.646 3.214 1.00 0.00 C ATOM 419 C GLU A 29 -5.817 5.741 2.064 1.00 0.00 C ATOM 420 O GLU A 29 -6.189 5.628 0.894 1.00 0.00 O ATOM 421 CB GLU A 29 -6.494 4.358 3.951 1.00 0.00 C ATOM 422 CG GLU A 29 -7.232 4.231 5.265 1.00 0.00 C ATOM 423 CD GLU A 29 -6.615 5.070 6.366 1.00 0.00 C ATOM 424 OE1 GLU A 29 -6.542 6.305 6.219 1.00 0.00 O ATOM 425 OE2 GLU A 29 -6.173 4.490 7.380 1.00 0.00 O ATOM 0 H GLU A 29 -8.365 4.994 2.054 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.640 6.499 3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.763 3.518 3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.423 4.285 4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.270 4.531 5.124 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.241 3.185 5.572 1.00 0.00 H new ATOM 432 N TRP A 30 -4.580 5.935 2.430 1.00 0.00 N ATOM 433 CA TRP A 30 -3.491 5.944 1.492 1.00 0.00 C ATOM 434 C TRP A 30 -2.255 5.403 2.167 1.00 0.00 C ATOM 435 O TRP A 30 -2.075 5.540 3.379 1.00 0.00 O ATOM 436 CB TRP A 30 -3.224 7.339 0.950 1.00 0.00 C ATOM 437 CG TRP A 30 -3.057 8.367 2.017 1.00 0.00 C ATOM 438 CD1 TRP A 30 -4.047 8.951 2.737 1.00 0.00 C ATOM 439 CD2 TRP A 30 -1.828 8.933 2.478 1.00 0.00 C ATOM 440 NE1 TRP A 30 -3.516 9.874 3.600 1.00 0.00 N ATOM 441 CE2 TRP A 30 -2.153 9.881 3.461 1.00 0.00 C ATOM 442 CE3 TRP A 30 -0.485 8.735 2.147 1.00 0.00 C ATOM 443 CZ2 TRP A 30 -1.184 10.633 4.114 1.00 0.00 C ATOM 444 CZ3 TRP A 30 0.474 9.481 2.793 1.00 0.00 C ATOM 445 CH2 TRP A 30 0.118 10.422 3.765 1.00 0.00 C ATOM 0 H TRP A 30 -4.297 6.093 3.397 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.761 5.314 0.645 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.325 7.316 0.334 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -4.048 7.632 0.299 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.098 8.722 2.644 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.049 10.461 4.242 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.205 8.010 1.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.451 11.357 4.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.516 9.338 2.546 1.00 0.00 H new ATOM 0 HH2 TRP A 30 0.893 10.996 4.251 1.00 0.00 H new ATOM 456 N ARG A 31 -1.429 4.775 1.383 1.00 0.00 N ATOM 457 CA ARG A 31 -0.215 4.172 1.861 1.00 0.00 C ATOM 458 C ARG A 31 0.888 4.505 0.921 1.00 0.00 C ATOM 459 O ARG A 31 0.661 5.036 -0.161 1.00 0.00 O ATOM 460 CB ARG A 31 -0.341 2.662 2.008 1.00 0.00 C ATOM 461 CG ARG A 31 -1.412 2.259 2.992 1.00 0.00 C ATOM 462 CD ARG A 31 -1.567 0.758 3.069 1.00 0.00 C ATOM 463 NE ARG A 31 -2.595 0.359 4.032 1.00 0.00 N ATOM 464 CZ ARG A 31 -3.391 -0.694 3.863 1.00 0.00 C ATOM 465 NH1 ARG A 31 -3.251 -1.451 2.788 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.315 -0.991 4.768 1.00 0.00 N ATOM 0 H ARG A 31 -1.579 4.665 0.380 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.003 4.570 2.853 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.564 2.224 1.035 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.616 2.252 2.331 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.165 2.650 3.979 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.361 2.708 2.700 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.824 0.370 2.083 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.614 0.310 3.350 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.707 0.918 4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.537 -1.226 2.095 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.857 -2.260 2.651 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.419 -0.411 5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.921 -1.800 4.631 1.00 0.00 H new ATOM 480 N CYS A 32 2.067 4.166 1.315 1.00 0.00 N ATOM 481 CA CYS A 32 3.224 4.533 0.563 1.00 0.00 C ATOM 482 C CYS A 32 3.708 3.287 -0.091 1.00 0.00 C ATOM 483 O CYS A 32 3.853 2.253 0.553 1.00 0.00 O ATOM 484 CB CYS A 32 4.301 5.090 1.480 1.00 0.00 C ATOM 485 SG CYS A 32 3.672 5.704 3.061 1.00 0.00 S ATOM 0 H CYS A 32 2.259 3.630 2.161 1.00 0.00 H new ATOM 0 HA CYS A 32 2.987 5.305 -0.169 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.039 4.312 1.672 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.818 5.901 0.966 1.00 0.00 H new ATOM 0 HG CYS A 32 4.584 5.560 3.976 1.00 0.00 H new ATOM 491 N LEU A 33 3.847 3.410 -1.396 1.00 0.00 N ATOM 492 CA LEU A 33 4.140 2.309 -2.296 1.00 0.00 C ATOM 493 C LEU A 33 5.260 1.401 -1.807 1.00 0.00 C ATOM 494 O LEU A 33 5.898 1.662 -0.798 1.00 0.00 O ATOM 495 CB LEU A 33 4.459 2.892 -3.658 1.00 0.00 C ATOM 496 CG LEU A 33 3.329 2.766 -4.668 1.00 0.00 C ATOM 497 CD1 LEU A 33 1.978 3.002 -4.001 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.525 3.757 -5.795 1.00 0.00 C ATOM 0 H LEU A 33 3.757 4.306 -1.875 1.00 0.00 H new ATOM 0 HA LEU A 33 3.262 1.664 -2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.711 3.946 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.344 2.395 -4.056 1.00 0.00 H new ATOM 0 HG LEU A 33 3.344 1.754 -5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.185 2.907 -4.742 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.828 2.265 -3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.955 4.003 -3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.710 3.658 -6.512 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.533 4.770 -5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.474 3.558 -6.294 1.00 0.00 H new ATOM 510 N LEU A 34 5.496 0.330 -2.533 1.00 0.00 N ATOM 511 CA LEU A 34 6.453 -0.672 -2.104 1.00 0.00 C ATOM 512 C LEU A 34 7.838 -0.083 -1.941 1.00 0.00 C ATOM 513 O LEU A 34 8.462 0.369 -2.899 1.00 0.00 O ATOM 514 CB LEU A 34 6.466 -1.836 -3.079 1.00 0.00 C ATOM 515 CG LEU A 34 5.109 -2.502 -3.253 1.00 0.00 C ATOM 516 CD1 LEU A 34 5.239 -3.762 -4.068 1.00 0.00 C ATOM 517 CD2 LEU A 34 4.485 -2.798 -1.903 1.00 0.00 C ATOM 0 H LEU A 34 5.040 0.129 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 34 6.143 -1.041 -1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.814 -1.482 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.184 -2.580 -2.734 1.00 0.00 H new ATOM 0 HG LEU A 34 4.454 -1.815 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.259 -4.224 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.642 -3.519 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.910 -4.455 -3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.515 -3.274 -2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.137 -3.466 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.354 -1.867 -1.351 1.00 0.00 H new ATOM 529 N GLY A 35 8.296 -0.077 -0.705 1.00 0.00 N ATOM 530 CA GLY A 35 9.585 0.484 -0.396 1.00 0.00 C ATOM 531 C GLY A 35 9.551 1.988 -0.258 1.00 0.00 C ATOM 532 O GLY A 35 10.595 2.633 -0.170 1.00 0.00 O ATOM 0 H GLY A 35 7.792 -0.455 0.097 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.953 0.047 0.532 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.292 0.211 -1.180 1.00 0.00 H new ATOM 536 N TYR A 36 8.356 2.541 -0.263 1.00 0.00 N ATOM 537 CA TYR A 36 8.155 3.964 -0.083 1.00 0.00 C ATOM 538 C TYR A 36 7.887 4.307 1.376 1.00 0.00 C ATOM 539 O TYR A 36 7.820 3.425 2.234 1.00 0.00 O ATOM 540 CB TYR A 36 6.979 4.429 -0.932 1.00 0.00 C ATOM 541 CG TYR A 36 7.267 4.491 -2.412 1.00 0.00 C ATOM 542 CD1 TYR A 36 7.778 3.399 -3.099 1.00 0.00 C ATOM 543 CD2 TYR A 36 7.021 5.649 -3.118 1.00 0.00 C ATOM 544 CE1 TYR A 36 8.034 3.468 -4.454 1.00 0.00 C ATOM 545 CE2 TYR A 36 7.269 5.731 -4.467 1.00 0.00 C ATOM 546 CZ TYR A 36 7.774 4.636 -5.136 1.00 0.00 C ATOM 547 OH TYR A 36 8.018 4.706 -6.488 1.00 0.00 O ATOM 0 H TYR A 36 7.493 2.014 -0.393 1.00 0.00 H new ATOM 0 HA TYR A 36 9.067 4.473 -0.395 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.138 3.756 -0.765 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.669 5.417 -0.592 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.978 2.481 -2.566 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.625 6.510 -2.600 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.435 2.612 -4.976 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.069 6.648 -5.001 1.00 0.00 H new ATOM 0 HH TYR A 36 7.780 5.598 -6.818 1.00 0.00 H new ATOM 557 N LYS A 37 7.730 5.599 1.643 1.00 0.00 N ATOM 558 CA LYS A 37 7.459 6.088 2.988 1.00 0.00 C ATOM 559 C LYS A 37 6.925 7.517 2.918 1.00 0.00 C ATOM 560 O LYS A 37 7.038 8.165 1.882 1.00 0.00 O ATOM 561 CB LYS A 37 8.746 6.061 3.816 1.00 0.00 C ATOM 562 CG LYS A 37 9.703 7.197 3.497 1.00 0.00 C ATOM 563 CD LYS A 37 10.951 7.134 4.358 1.00 0.00 C ATOM 564 CE LYS A 37 11.735 8.435 4.300 1.00 0.00 C ATOM 565 NZ LYS A 37 12.940 8.402 5.170 1.00 0.00 N ATOM 0 H LYS A 37 7.787 6.333 0.937 1.00 0.00 H new ATOM 0 HA LYS A 37 6.714 5.447 3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.487 6.102 4.874 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.255 5.112 3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.984 7.153 2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.200 8.152 3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.672 6.922 5.390 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.584 6.312 4.024 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.037 8.630 3.271 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.091 9.260 4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.444 9.309 5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.652 8.242 6.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.568 7.632 4.864 1.00 0.00 H new ATOM 579 N LYS A 38 6.334 7.997 4.006 1.00 0.00 N ATOM 580 CA LYS A 38 5.920 9.391 4.094 1.00 0.00 C ATOM 581 C LYS A 38 7.133 10.293 4.230 1.00 0.00 C ATOM 582 O LYS A 38 7.783 10.336 5.273 1.00 0.00 O ATOM 583 CB LYS A 38 4.974 9.583 5.253 1.00 0.00 C ATOM 584 CG LYS A 38 3.714 8.766 5.094 1.00 0.00 C ATOM 585 CD LYS A 38 2.568 9.426 5.802 1.00 0.00 C ATOM 586 CE LYS A 38 1.428 8.464 6.075 1.00 0.00 C ATOM 587 NZ LYS A 38 1.844 7.319 6.926 1.00 0.00 N ATOM 0 H LYS A 38 6.131 7.442 4.838 1.00 0.00 H new ATOM 0 HA LYS A 38 5.396 9.661 3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.474 9.302 6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.714 10.638 5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.478 8.652 4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.869 7.765 5.496 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.920 9.846 6.745 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.202 10.257 5.200 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.614 8.999 6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.039 8.088 5.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.015 6.940 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.258 6.575 6.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.550 7.640 7.619 1.00 0.00 H new ATOM 601 N GLY A 39 7.426 11.009 3.161 1.00 0.00 N ATOM 602 CA GLY A 39 8.614 11.837 3.118 1.00 0.00 C ATOM 603 C GLY A 39 8.277 13.303 3.074 1.00 0.00 C ATOM 604 O GLY A 39 8.883 14.112 3.776 1.00 0.00 O ATOM 0 H GLY A 39 6.859 11.033 2.314 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.230 11.633 3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.207 11.575 2.242 1.00 0.00 H new ATOM 608 N GLU A 40 7.299 13.641 2.250 1.00 0.00 N ATOM 609 CA GLU A 40 6.849 15.017 2.111 1.00 0.00 C ATOM 610 C GLU A 40 6.004 15.406 3.321 1.00 0.00 C ATOM 611 O GLU A 40 5.667 16.575 3.517 1.00 0.00 O ATOM 612 CB GLU A 40 6.015 15.172 0.836 1.00 0.00 C ATOM 613 CG GLU A 40 6.467 14.297 -0.330 1.00 0.00 C ATOM 614 CD GLU A 40 7.748 14.780 -0.972 1.00 0.00 C ATOM 615 OE1 GLU A 40 8.764 14.930 -0.260 1.00 0.00 O ATOM 616 OE2 GLU A 40 7.745 15.022 -2.193 1.00 0.00 O ATOM 0 H GLU A 40 6.797 12.975 1.662 1.00 0.00 H new ATOM 0 HA GLU A 40 7.720 15.669 2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.976 14.938 1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.045 16.216 0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.607 13.275 0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.679 14.269 -1.082 1.00 0.00 H new ATOM 623 N GLY A 41 5.676 14.405 4.132 1.00 0.00 N ATOM 624 CA GLY A 41 4.794 14.607 5.260 1.00 0.00 C ATOM 625 C GLY A 41 3.538 13.784 5.123 1.00 0.00 C ATOM 626 O GLY A 41 3.465 12.647 5.584 1.00 0.00 O ATOM 0 H GLY A 41 6.012 13.448 4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.310 14.338 6.182 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.534 15.663 5.337 1.00 0.00 H new ATOM 630 N ASN A 42 2.568 14.354 4.444 1.00 0.00 N ATOM 631 CA ASN A 42 1.325 13.673 4.124 1.00 0.00 C ATOM 632 C ASN A 42 1.415 13.255 2.684 1.00 0.00 C ATOM 633 O ASN A 42 0.645 13.708 1.844 1.00 0.00 O ATOM 634 CB ASN A 42 0.113 14.592 4.298 1.00 0.00 C ATOM 635 CG ASN A 42 -0.087 15.061 5.723 1.00 0.00 C ATOM 636 OD1 ASN A 42 0.461 16.082 6.139 1.00 0.00 O ATOM 637 ND2 ASN A 42 -0.892 14.330 6.476 1.00 0.00 N ATOM 0 H ASN A 42 2.616 15.311 4.094 1.00 0.00 H new ATOM 0 HA ASN A 42 1.192 12.824 4.795 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.230 15.461 3.650 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.783 14.066 3.967 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.078 14.606 7.440 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.326 13.491 6.093 1.00 0.00 H new ATOM 644 N THR A 43 2.405 12.436 2.393 1.00 0.00 N ATOM 645 CA THR A 43 2.772 12.128 1.032 1.00 0.00 C ATOM 646 C THR A 43 3.744 10.978 1.065 1.00 0.00 C ATOM 647 O THR A 43 4.264 10.653 2.129 1.00 0.00 O ATOM 648 CB THR A 43 3.456 13.312 0.336 1.00 0.00 C ATOM 649 OG1 THR A 43 3.050 14.562 0.912 1.00 0.00 O ATOM 650 CG2 THR A 43 3.135 13.327 -1.137 1.00 0.00 C ATOM 0 H THR A 43 2.976 11.967 3.096 1.00 0.00 H new ATOM 0 HA THR A 43 1.865 11.888 0.477 1.00 0.00 H new ATOM 0 HB THR A 43 4.530 13.187 0.475 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.081 15.263 0.228 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.631 14.175 -1.609 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.484 12.402 -1.595 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.057 13.415 -1.274 1.00 0.00 H new ATOM 658 N CYS A 44 4.014 10.378 -0.070 1.00 0.00 N ATOM 659 CA CYS A 44 4.899 9.246 -0.091 1.00 0.00 C ATOM 660 C CYS A 44 6.055 9.485 -1.046 1.00 0.00 C ATOM 661 O CYS A 44 5.935 10.246 -2.003 1.00 0.00 O ATOM 662 CB CYS A 44 4.113 7.999 -0.457 1.00 0.00 C ATOM 663 SG CYS A 44 2.648 7.758 0.576 1.00 0.00 S ATOM 0 H CYS A 44 3.638 10.652 -0.978 1.00 0.00 H new ATOM 0 HA CYS A 44 5.330 9.102 0.900 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.808 8.062 -1.501 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.762 7.128 -0.367 1.00 0.00 H new ATOM 0 HG CYS A 44 2.999 7.229 1.711 1.00 0.00 H new ATOM 669 N VAL A 45 7.179 8.864 -0.743 1.00 0.00 N ATOM 670 CA VAL A 45 8.396 8.988 -1.523 1.00 0.00 C ATOM 671 C VAL A 45 9.144 7.676 -1.497 1.00 0.00 C ATOM 672 O VAL A 45 8.883 6.827 -0.644 1.00 0.00 O ATOM 673 CB VAL A 45 9.341 10.064 -0.961 1.00 0.00 C ATOM 674 CG1 VAL A 45 8.771 11.460 -1.156 1.00 0.00 C ATOM 675 CG2 VAL A 45 9.632 9.805 0.512 1.00 0.00 C ATOM 0 H VAL A 45 7.274 8.249 0.065 1.00 0.00 H new ATOM 0 HA VAL A 45 8.099 9.268 -2.534 1.00 0.00 H new ATOM 0 HB VAL A 45 10.277 10.007 -1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.464 12.196 -0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.626 11.649 -2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.814 11.537 -0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.302 10.576 0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.699 9.825 1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.103 8.828 0.624 1.00 0.00 H new ATOM 685 N GLU A 46 10.080 7.523 -2.414 1.00 0.00 N ATOM 686 CA GLU A 46 10.923 6.348 -2.448 1.00 0.00 C ATOM 687 C GLU A 46 11.846 6.315 -1.235 1.00 0.00 C ATOM 688 O GLU A 46 12.889 6.969 -1.207 1.00 0.00 O ATOM 689 CB GLU A 46 11.737 6.316 -3.737 1.00 0.00 C ATOM 690 CG GLU A 46 11.272 5.270 -4.732 1.00 0.00 C ATOM 691 CD GLU A 46 12.149 5.220 -5.962 1.00 0.00 C ATOM 692 OE1 GLU A 46 13.179 4.518 -5.923 1.00 0.00 O ATOM 693 OE2 GLU A 46 11.814 5.877 -6.968 1.00 0.00 O ATOM 0 H GLU A 46 10.275 8.203 -3.149 1.00 0.00 H new ATOM 0 HA GLU A 46 10.285 5.465 -2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.691 7.298 -4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.782 6.129 -3.491 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.267 4.292 -4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.245 5.485 -5.029 1.00 0.00 H new ATOM 700 N ASN A 47 11.421 5.568 -0.225 1.00 0.00 N ATOM 701 CA ASN A 47 12.216 5.347 0.979 1.00 0.00 C ATOM 702 C ASN A 47 13.511 4.629 0.616 1.00 0.00 C ATOM 703 O ASN A 47 14.557 4.864 1.218 1.00 0.00 O ATOM 704 CB ASN A 47 11.394 4.539 1.995 1.00 0.00 C ATOM 705 CG ASN A 47 12.157 4.163 3.256 1.00 0.00 C ATOM 706 OD1 ASN A 47 13.108 4.835 3.656 1.00 0.00 O ATOM 707 ND2 ASN A 47 11.720 3.100 3.909 1.00 0.00 N ATOM 0 H ASN A 47 10.516 5.098 -0.216 1.00 0.00 H new ATOM 0 HA ASN A 47 12.476 6.303 1.433 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.514 5.117 2.275 1.00 0.00 H new ATOM 0 HB3 ASN A 47 11.037 3.628 1.514 1.00 0.00 H new ATOM 0 HD21 ASN A 47 12.174 2.812 4.776 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.929 2.568 3.546 1.00 0.00 H new ATOM 714 N ASN A 48 13.407 3.741 -0.374 1.00 0.00 N ATOM 715 CA ASN A 48 14.565 3.111 -1.021 1.00 0.00 C ATOM 716 C ASN A 48 15.229 2.064 -0.126 1.00 0.00 C ATOM 717 O ASN A 48 16.152 1.367 -0.550 1.00 0.00 O ATOM 718 CB ASN A 48 15.571 4.173 -1.472 1.00 0.00 C ATOM 719 CG ASN A 48 16.037 3.973 -2.899 1.00 0.00 C ATOM 720 OD1 ASN A 48 16.962 3.208 -3.173 1.00 0.00 O ATOM 721 ND2 ASN A 48 15.393 4.677 -3.818 1.00 0.00 N ATOM 0 H ASN A 48 12.511 3.435 -0.754 1.00 0.00 H new ATOM 0 HA ASN A 48 14.200 2.583 -1.902 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.117 5.160 -1.378 1.00 0.00 H new ATOM 0 HB3 ASN A 48 16.434 4.154 -0.807 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.658 4.597 -4.800 1.00 0.00 H new ATOM 0 HD22 ASN A 48 14.632 5.299 -3.544 1.00 0.00 H new ATOM 728 N ASN A 49 14.694 1.907 1.077 1.00 0.00 N ATOM 729 CA ASN A 49 15.237 0.995 2.072 1.00 0.00 C ATOM 730 C ASN A 49 14.111 0.568 2.992 1.00 0.00 C ATOM 731 O ASN A 49 13.985 1.052 4.115 1.00 0.00 O ATOM 732 CB ASN A 49 16.336 1.662 2.895 1.00 0.00 C ATOM 733 CG ASN A 49 17.091 0.665 3.757 1.00 0.00 C ATOM 734 OD1 ASN A 49 18.105 0.105 3.340 1.00 0.00 O ATOM 735 ND2 ASN A 49 16.591 0.426 4.961 1.00 0.00 N ATOM 0 H ASN A 49 13.866 2.413 1.391 1.00 0.00 H new ATOM 0 HA ASN A 49 15.673 0.135 1.564 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.035 2.164 2.226 1.00 0.00 H new ATOM 0 HB3 ASN A 49 15.896 2.430 3.531 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.049 -0.243 5.580 1.00 0.00 H new ATOM 0 HD22 ASN A 49 15.748 0.911 5.269 1.00 0.00 H new ATOM 742 N PRO A 50 13.259 -0.323 2.508 1.00 0.00 N ATOM 743 CA PRO A 50 12.047 -0.706 3.192 1.00 0.00 C ATOM 744 C PRO A 50 12.238 -1.899 4.121 1.00 0.00 C ATOM 745 O PRO A 50 12.956 -2.851 3.810 1.00 0.00 O ATOM 746 CB PRO A 50 11.115 -1.050 2.033 1.00 0.00 C ATOM 747 CG PRO A 50 11.986 -1.231 0.819 1.00 0.00 C ATOM 748 CD PRO A 50 13.396 -1.042 1.252 1.00 0.00 C ATOM 0 HA PRO A 50 11.673 0.078 3.850 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.552 -1.959 2.245 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.387 -0.255 1.872 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.846 -2.223 0.390 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.722 -0.510 0.046 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.908 -1.995 1.386 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.970 -0.472 0.521 1.00 0.00 H new ATOM 756 N THR A 51 11.605 -1.817 5.271 1.00 0.00 N ATOM 757 CA THR A 51 11.641 -2.875 6.254 1.00 0.00 C ATOM 758 C THR A 51 10.222 -3.350 6.541 1.00 0.00 C ATOM 759 O THR A 51 9.267 -2.588 6.396 1.00 0.00 O ATOM 760 CB THR A 51 12.315 -2.411 7.560 1.00 0.00 C ATOM 761 OG1 THR A 51 12.471 -3.517 8.461 1.00 0.00 O ATOM 762 CG2 THR A 51 11.507 -1.313 8.231 1.00 0.00 C ATOM 0 H THR A 51 11.048 -1.010 5.551 1.00 0.00 H new ATOM 0 HA THR A 51 12.232 -3.697 5.849 1.00 0.00 H new ATOM 0 HB THR A 51 13.297 -2.012 7.306 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.597 -3.766 8.827 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.005 -1.004 9.150 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.425 -0.459 7.559 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.511 -1.687 8.467 1.00 0.00 H new ATOM 770 N CYS A 52 10.082 -4.603 6.930 1.00 0.00 N ATOM 771 CA CYS A 52 8.787 -5.121 7.330 1.00 0.00 C ATOM 772 C CYS A 52 8.531 -4.704 8.776 1.00 0.00 C ATOM 773 O CYS A 52 9.450 -4.216 9.438 1.00 0.00 O ATOM 774 CB CYS A 52 8.761 -6.649 7.174 1.00 0.00 C ATOM 775 SG CYS A 52 7.310 -7.462 7.872 1.00 0.00 S ATOM 0 H CYS A 52 10.845 -5.278 6.978 1.00 0.00 H new ATOM 0 HA CYS A 52 7.999 -4.715 6.696 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.820 -6.892 6.113 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.653 -7.063 7.645 1.00 0.00 H new ATOM 0 HG CYS A 52 6.671 -8.092 6.931 1.00 0.00 H new ATOM 781 N ASP A 53 7.281 -4.859 9.227 1.00 0.00 N ATOM 782 CA ASP A 53 6.822 -4.392 10.544 1.00 0.00 C ATOM 783 C ASP A 53 6.455 -2.911 10.503 1.00 0.00 C ATOM 784 O ASP A 53 5.605 -2.451 11.267 1.00 0.00 O ATOM 785 CB ASP A 53 7.848 -4.645 11.657 1.00 0.00 C ATOM 786 CG ASP A 53 7.887 -6.094 12.105 1.00 0.00 C ATOM 787 OD1 ASP A 53 6.988 -6.511 12.868 1.00 0.00 O ATOM 788 OD2 ASP A 53 8.816 -6.825 11.700 1.00 0.00 O ATOM 0 H ASP A 53 6.550 -5.317 8.683 1.00 0.00 H new ATOM 0 HA ASP A 53 5.934 -4.978 10.781 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.837 -4.352 11.306 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.613 -4.012 12.512 1.00 0.00 H new ATOM 793 N ILE A 54 7.079 -2.171 9.599 1.00 0.00 N ATOM 794 CA ILE A 54 6.814 -0.746 9.458 1.00 0.00 C ATOM 795 C ILE A 54 6.259 -0.461 8.081 1.00 0.00 C ATOM 796 O ILE A 54 6.956 -0.625 7.079 1.00 0.00 O ATOM 797 CB ILE A 54 8.086 0.091 9.698 1.00 0.00 C ATOM 798 CG1 ILE A 54 8.661 -0.237 11.078 1.00 0.00 C ATOM 799 CG2 ILE A 54 7.776 1.578 9.583 1.00 0.00 C ATOM 800 CD1 ILE A 54 10.015 0.376 11.343 1.00 0.00 C ATOM 0 H ILE A 54 7.776 -2.535 8.949 1.00 0.00 H new ATOM 0 HA ILE A 54 6.080 -0.463 10.213 1.00 0.00 H new ATOM 0 HB ILE A 54 8.827 -0.157 8.938 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.963 0.106 11.842 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.738 -1.320 11.180 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.685 2.154 9.755 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.394 1.794 8.585 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.027 1.852 10.326 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.352 0.096 12.341 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.729 0.014 10.604 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.942 1.462 11.276 1.00 0.00 H new ATOM 812 N ASN A 55 4.980 -0.087 8.044 1.00 0.00 N ATOM 813 CA ASN A 55 4.283 0.194 6.791 1.00 0.00 C ATOM 814 C ASN A 55 4.187 -1.078 5.962 1.00 0.00 C ATOM 815 O ASN A 55 3.850 -1.050 4.782 1.00 0.00 O ATOM 816 CB ASN A 55 5.031 1.287 6.022 1.00 0.00 C ATOM 817 CG ASN A 55 4.211 1.926 4.913 1.00 0.00 C ATOM 818 OD1 ASN A 55 2.994 2.079 5.025 1.00 0.00 O ATOM 819 ND2 ASN A 55 4.877 2.309 3.834 1.00 0.00 N ATOM 0 H ASN A 55 4.402 0.029 8.876 1.00 0.00 H new ATOM 0 HA ASN A 55 3.273 0.546 7.003 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.344 2.061 6.722 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.937 0.861 5.592 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.382 2.748 3.058 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.885 2.165 3.779 1.00 0.00 H new ATOM 826 N ASN A 56 4.486 -2.197 6.613 1.00 0.00 N ATOM 827 CA ASN A 56 4.560 -3.499 5.967 1.00 0.00 C ATOM 828 C ASN A 56 5.588 -3.470 4.827 1.00 0.00 C ATOM 829 O ASN A 56 5.524 -4.271 3.898 1.00 0.00 O ATOM 830 CB ASN A 56 3.179 -3.916 5.434 1.00 0.00 C ATOM 831 CG ASN A 56 2.967 -5.413 5.455 1.00 0.00 C ATOM 832 OD1 ASN A 56 3.415 -6.092 6.371 1.00 0.00 O ATOM 833 ND2 ASN A 56 2.275 -5.932 4.451 1.00 0.00 N ATOM 0 H ASN A 56 4.685 -2.224 7.613 1.00 0.00 H new ATOM 0 HA ASN A 56 4.880 -4.234 6.705 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.404 -3.436 6.032 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.064 -3.552 4.413 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.096 -6.936 4.420 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.921 -5.328 3.709 1.00 0.00 H new ATOM 840 N GLY A 57 6.544 -2.540 4.913 1.00 0.00 N ATOM 841 CA GLY A 57 7.510 -2.348 3.846 1.00 0.00 C ATOM 842 C GLY A 57 6.898 -1.645 2.652 1.00 0.00 C ATOM 843 O GLY A 57 7.461 -1.645 1.557 1.00 0.00 O ATOM 0 H GLY A 57 6.663 -1.915 5.710 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.352 -1.765 4.219 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.905 -3.315 3.535 1.00 0.00 H new ATOM 847 N GLY A 58 5.742 -1.038 2.875 1.00 0.00 N ATOM 848 CA GLY A 58 5.012 -0.388 1.811 1.00 0.00 C ATOM 849 C GLY A 58 3.904 -1.276 1.293 1.00 0.00 C ATOM 850 O GLY A 58 3.354 -1.039 0.225 1.00 0.00 O ATOM 0 H GLY A 58 5.293 -0.985 3.789 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.592 0.550 2.174 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.693 -0.138 0.998 1.00 0.00 H new ATOM 854 N CYS A 59 3.562 -2.287 2.080 1.00 0.00 N ATOM 855 CA CYS A 59 2.611 -3.310 1.665 1.00 0.00 C ATOM 856 C CYS A 59 1.327 -3.234 2.488 1.00 0.00 C ATOM 857 O CYS A 59 1.198 -2.414 3.397 1.00 0.00 O ATOM 858 CB CYS A 59 3.231 -4.707 1.782 1.00 0.00 C ATOM 859 SG CYS A 59 4.770 -4.900 0.861 1.00 0.00 S ATOM 0 H CYS A 59 3.934 -2.421 3.020 1.00 0.00 H new ATOM 0 HA CYS A 59 2.360 -3.125 0.621 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.418 -4.924 2.834 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.511 -5.445 1.427 1.00 0.00 H new ATOM 0 HG CYS A 59 4.502 -5.215 -0.371 1.00 0.00 H new ATOM 865 N ASP A 60 0.389 -4.109 2.168 1.00 0.00 N ATOM 866 CA ASP A 60 -0.900 -4.156 2.849 1.00 0.00 C ATOM 867 C ASP A 60 -0.852 -5.228 3.916 1.00 0.00 C ATOM 868 O ASP A 60 -0.260 -6.276 3.709 1.00 0.00 O ATOM 869 CB ASP A 60 -1.998 -4.522 1.842 1.00 0.00 C ATOM 870 CG ASP A 60 -3.374 -4.669 2.474 1.00 0.00 C ATOM 871 OD1 ASP A 60 -3.621 -5.688 3.139 1.00 0.00 O ATOM 872 OD2 ASP A 60 -4.221 -3.772 2.292 1.00 0.00 O ATOM 0 H ASP A 60 0.496 -4.806 1.431 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.112 -3.184 3.294 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.042 -3.755 1.069 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.731 -5.457 1.349 1.00 0.00 H new ATOM 877 N PRO A 61 -1.445 -4.949 5.094 1.00 0.00 N ATOM 878 CA PRO A 61 -1.458 -5.866 6.231 1.00 0.00 C ATOM 879 C PRO A 61 -1.851 -7.301 5.866 1.00 0.00 C ATOM 880 O PRO A 61 -1.468 -8.237 6.563 1.00 0.00 O ATOM 881 CB PRO A 61 -2.504 -5.258 7.159 1.00 0.00 C ATOM 882 CG PRO A 61 -2.496 -3.812 6.863 1.00 0.00 C ATOM 883 CD PRO A 61 -2.128 -3.681 5.420 1.00 0.00 C ATOM 0 HA PRO A 61 -0.463 -5.962 6.666 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.488 -5.691 6.979 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.259 -5.447 8.204 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.473 -3.370 7.057 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.779 -3.289 7.496 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.011 -3.535 4.797 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.475 -2.824 5.254 1.00 0.00 H new ATOM 891 N THR A 62 -2.627 -7.475 4.800 1.00 0.00 N ATOM 892 CA THR A 62 -2.982 -8.809 4.333 1.00 0.00 C ATOM 893 C THR A 62 -1.902 -9.345 3.403 1.00 0.00 C ATOM 894 O THR A 62 -1.618 -10.545 3.396 1.00 0.00 O ATOM 895 CB THR A 62 -4.336 -8.834 3.598 1.00 0.00 C ATOM 896 OG1 THR A 62 -4.270 -8.041 2.409 1.00 0.00 O ATOM 897 CG2 THR A 62 -5.449 -8.321 4.497 1.00 0.00 C ATOM 0 H THR A 62 -3.019 -6.713 4.247 1.00 0.00 H new ATOM 0 HA THR A 62 -3.067 -9.440 5.218 1.00 0.00 H new ATOM 0 HB THR A 62 -4.555 -9.867 3.328 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.777 -7.213 2.540 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.395 -8.348 3.956 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.520 -8.951 5.384 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.231 -7.296 4.796 1.00 0.00 H new ATOM 905 N ALA A 63 -1.303 -8.446 2.623 1.00 0.00 N ATOM 906 CA ALA A 63 -0.204 -8.794 1.753 1.00 0.00 C ATOM 907 C ALA A 63 0.971 -9.330 2.565 1.00 0.00 C ATOM 908 O ALA A 63 1.530 -8.625 3.407 1.00 0.00 O ATOM 909 CB ALA A 63 0.203 -7.581 0.933 1.00 0.00 C ATOM 0 H ALA A 63 -1.572 -7.463 2.583 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.522 -9.583 1.071 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.032 -7.847 0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.643 -7.248 0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.512 -6.777 1.601 1.00 0.00 H new ATOM 915 N SER A 64 1.304 -10.593 2.335 1.00 0.00 N ATOM 916 CA SER A 64 2.411 -11.244 3.028 1.00 0.00 C ATOM 917 C SER A 64 3.731 -10.529 2.740 1.00 0.00 C ATOM 918 O SER A 64 4.319 -10.691 1.672 1.00 0.00 O ATOM 919 CB SER A 64 2.494 -12.717 2.613 1.00 0.00 C ATOM 920 OG SER A 64 3.495 -13.406 3.345 1.00 0.00 O ATOM 0 H SER A 64 0.819 -11.193 1.668 1.00 0.00 H new ATOM 0 HA SER A 64 2.228 -11.190 4.101 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.529 -13.197 2.774 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.710 -12.784 1.547 1.00 0.00 H new ATOM 0 HG SER A 64 3.523 -14.343 3.059 1.00 0.00 H new ATOM 926 N CYS A 65 4.164 -9.730 3.706 1.00 0.00 N ATOM 927 CA CYS A 65 5.385 -8.949 3.607 1.00 0.00 C ATOM 928 C CYS A 65 6.652 -9.786 3.760 1.00 0.00 C ATOM 929 O CYS A 65 6.644 -10.863 4.364 1.00 0.00 O ATOM 930 CB CYS A 65 5.367 -7.903 4.711 1.00 0.00 C ATOM 931 SG CYS A 65 4.876 -8.590 6.312 1.00 0.00 S ATOM 0 H CYS A 65 3.670 -9.606 4.590 1.00 0.00 H new ATOM 0 HA CYS A 65 5.410 -8.506 2.612 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.357 -7.456 4.800 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.680 -7.103 4.437 1.00 0.00 H new ATOM 0 HG CYS A 65 5.252 -7.787 7.263 1.00 0.00 H new ATOM 937 N GLN A 66 7.730 -9.268 3.190 1.00 0.00 N ATOM 938 CA GLN A 66 9.073 -9.745 3.459 1.00 0.00 C ATOM 939 C GLN A 66 10.019 -8.559 3.420 1.00 0.00 C ATOM 940 O GLN A 66 9.936 -7.728 2.519 1.00 0.00 O ATOM 941 CB GLN A 66 9.514 -10.817 2.448 1.00 0.00 C ATOM 942 CG GLN A 66 10.816 -10.509 1.723 1.00 0.00 C ATOM 943 CD GLN A 66 11.506 -11.756 1.205 1.00 0.00 C ATOM 944 OE1 GLN A 66 11.244 -12.218 0.096 1.00 0.00 O ATOM 945 NE2 GLN A 66 12.404 -12.305 2.002 1.00 0.00 N ATOM 0 H GLN A 66 7.694 -8.498 2.522 1.00 0.00 H new ATOM 0 HA GLN A 66 9.091 -10.213 4.443 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.621 -11.768 2.970 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.724 -10.947 1.708 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.613 -9.838 0.888 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.488 -9.981 2.400 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.595 -11.893 2.916 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.907 -13.141 1.704 1.00 0.00 H new ATOM 954 N ASN A 67 10.882 -8.459 4.411 1.00 0.00 N ATOM 955 CA ASN A 67 11.881 -7.429 4.435 1.00 0.00 C ATOM 956 C ASN A 67 13.139 -7.926 3.749 1.00 0.00 C ATOM 957 O ASN A 67 13.598 -9.042 3.997 1.00 0.00 O ATOM 958 CB ASN A 67 12.176 -6.986 5.864 1.00 0.00 C ATOM 959 CG ASN A 67 12.638 -8.099 6.782 1.00 0.00 C ATOM 960 OD1 ASN A 67 13.826 -8.414 6.843 1.00 0.00 O ATOM 961 ND2 ASN A 67 11.716 -8.672 7.534 1.00 0.00 N ATOM 0 H ASN A 67 10.905 -9.088 5.213 1.00 0.00 H new ATOM 0 HA ASN A 67 11.505 -6.560 3.896 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.941 -6.210 5.840 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.277 -6.535 6.284 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.979 -9.403 8.195 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.741 -8.383 7.454 1.00 0.00 H new ATOM 968 N ALA A 68 13.673 -7.101 2.874 1.00 0.00 N ATOM 969 CA ALA A 68 14.784 -7.491 2.036 1.00 0.00 C ATOM 970 C ALA A 68 15.446 -6.257 1.459 1.00 0.00 C ATOM 971 O ALA A 68 14.902 -5.158 1.560 1.00 0.00 O ATOM 972 CB ALA A 68 14.290 -8.403 0.927 1.00 0.00 C ATOM 0 H ALA A 68 13.350 -6.145 2.725 1.00 0.00 H new ATOM 0 HA ALA A 68 15.519 -8.033 2.631 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.129 -8.696 0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.836 -9.293 1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.550 -7.876 0.325 1.00 0.00 H new ATOM 978 N GLU A 69 16.627 -6.425 0.899 1.00 0.00 N ATOM 979 CA GLU A 69 17.309 -5.328 0.236 1.00 0.00 C ATOM 980 C GLU A 69 17.370 -5.551 -1.271 1.00 0.00 C ATOM 981 O GLU A 69 17.401 -6.687 -1.742 1.00 0.00 O ATOM 982 CB GLU A 69 18.714 -5.147 0.792 1.00 0.00 C ATOM 983 CG GLU A 69 18.748 -4.570 2.192 1.00 0.00 C ATOM 984 CD GLU A 69 20.158 -4.297 2.653 1.00 0.00 C ATOM 985 OE1 GLU A 69 20.751 -3.299 2.186 1.00 0.00 O ATOM 986 OE2 GLU A 69 20.684 -5.084 3.466 1.00 0.00 O ATOM 0 H GLU A 69 17.135 -7.309 0.889 1.00 0.00 H new ATOM 0 HA GLU A 69 16.737 -4.420 0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 69 19.221 -6.112 0.794 1.00 0.00 H new ATOM 0 HB3 GLU A 69 19.277 -4.493 0.126 1.00 0.00 H new ATOM 0 HG2 GLU A 69 18.172 -3.645 2.218 1.00 0.00 H new ATOM 0 HG3 GLU A 69 18.268 -5.264 2.882 1.00 0.00 H new ATOM 993 N SER A 70 17.386 -4.452 -2.013 1.00 0.00 N ATOM 994 CA SER A 70 17.374 -4.492 -3.471 1.00 0.00 C ATOM 995 C SER A 70 17.791 -3.132 -4.014 1.00 0.00 C ATOM 996 O SER A 70 17.761 -2.142 -3.286 1.00 0.00 O ATOM 997 CB SER A 70 15.970 -4.833 -3.986 1.00 0.00 C ATOM 998 OG SER A 70 15.976 -5.106 -5.375 1.00 0.00 O ATOM 0 H SER A 70 17.408 -3.510 -1.624 1.00 0.00 H new ATOM 0 HA SER A 70 18.070 -5.260 -3.809 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.584 -5.698 -3.446 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.295 -4.002 -3.781 1.00 0.00 H new ATOM 0 HG SER A 70 15.266 -5.748 -5.585 1.00 0.00 H new ATOM 1004 N THR A 71 18.161 -3.077 -5.284 1.00 0.00 N ATOM 1005 CA THR A 71 18.442 -1.803 -5.934 1.00 0.00 C ATOM 1006 C THR A 71 17.152 -0.997 -6.086 1.00 0.00 C ATOM 1007 O THR A 71 17.182 0.217 -6.286 1.00 0.00 O ATOM 1008 CB THR A 71 19.101 -1.999 -7.319 1.00 0.00 C ATOM 1009 OG1 THR A 71 19.356 -0.726 -7.935 1.00 0.00 O ATOM 1010 CG2 THR A 71 18.219 -2.841 -8.234 1.00 0.00 C ATOM 0 H THR A 71 18.274 -3.894 -5.884 1.00 0.00 H new ATOM 0 HA THR A 71 19.144 -1.258 -5.302 1.00 0.00 H new ATOM 0 HB THR A 71 20.044 -2.524 -7.167 1.00 0.00 H new ATOM 0 HG1 THR A 71 18.699 -0.072 -7.618 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.708 -2.962 -9.201 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.058 -3.821 -7.784 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.259 -2.343 -8.373 1.00 0.00 H new ATOM 1018 N GLU A 72 16.022 -1.689 -5.961 1.00 0.00 N ATOM 1019 CA GLU A 72 14.711 -1.069 -6.089 1.00 0.00 C ATOM 1020 C GLU A 72 13.913 -1.295 -4.828 1.00 0.00 C ATOM 1021 O GLU A 72 13.558 -2.432 -4.532 1.00 0.00 O ATOM 1022 CB GLU A 72 13.926 -1.695 -7.222 1.00 0.00 C ATOM 1023 CG GLU A 72 14.602 -1.633 -8.566 1.00 0.00 C ATOM 1024 CD GLU A 72 14.649 -0.235 -9.138 1.00 0.00 C ATOM 1025 OE1 GLU A 72 13.595 0.257 -9.596 1.00 0.00 O ATOM 1026 OE2 GLU A 72 15.736 0.372 -9.135 1.00 0.00 O ATOM 0 H GLU A 72 15.992 -2.690 -5.769 1.00 0.00 H new ATOM 0 HA GLU A 72 14.869 -0.007 -6.277 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.730 -2.739 -6.977 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.959 -1.198 -7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.618 -2.016 -8.474 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.076 -2.287 -9.262 1.00 0.00 H new ATOM 1033 N ASN A 73 13.636 -0.227 -4.087 1.00 0.00 N ATOM 1034 CA ASN A 73 12.806 -0.311 -2.888 1.00 0.00 C ATOM 1035 C ASN A 73 11.497 -1.053 -3.132 1.00 0.00 C ATOM 1036 O ASN A 73 10.945 -1.645 -2.210 1.00 0.00 O ATOM 1037 CB ASN A 73 12.512 1.066 -2.307 1.00 0.00 C ATOM 1038 CG ASN A 73 12.121 2.093 -3.339 1.00 0.00 C ATOM 1039 OD1 ASN A 73 10.958 2.217 -3.698 1.00 0.00 O ATOM 1040 ND2 ASN A 73 13.103 2.851 -3.800 1.00 0.00 N ATOM 0 H ASN A 73 13.976 0.712 -4.296 1.00 0.00 H new ATOM 0 HA ASN A 73 13.389 -0.883 -2.166 1.00 0.00 H new ATOM 0 HB2 ASN A 73 11.709 0.977 -1.575 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.393 1.420 -1.772 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.906 3.579 -4.487 1.00 0.00 H new ATOM 0 HD22 ASN A 73 14.057 2.707 -3.468 1.00 0.00 H new ATOM 1047 N SER A 74 11.025 -1.063 -4.369 1.00 0.00 N ATOM 1048 CA SER A 74 9.738 -1.665 -4.668 1.00 0.00 C ATOM 1049 C SER A 74 9.861 -3.155 -5.003 1.00 0.00 C ATOM 1050 O SER A 74 8.854 -3.835 -5.186 1.00 0.00 O ATOM 1051 CB SER A 74 9.064 -0.923 -5.828 1.00 0.00 C ATOM 1052 OG SER A 74 8.944 0.465 -5.554 1.00 0.00 O ATOM 0 H SER A 74 11.509 -0.665 -5.174 1.00 0.00 H new ATOM 0 HA SER A 74 9.124 -1.579 -3.772 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.644 -1.067 -6.740 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.076 -1.347 -6.008 1.00 0.00 H new ATOM 0 HG SER A 74 8.921 0.606 -4.585 1.00 0.00 H new ATOM 1058 N LYS A 75 11.088 -3.666 -5.084 1.00 0.00 N ATOM 1059 CA LYS A 75 11.290 -5.059 -5.472 1.00 0.00 C ATOM 1060 C LYS A 75 11.658 -5.941 -4.283 1.00 0.00 C ATOM 1061 O LYS A 75 11.367 -7.135 -4.285 1.00 0.00 O ATOM 1062 CB LYS A 75 12.379 -5.187 -6.538 1.00 0.00 C ATOM 1063 CG LYS A 75 12.111 -4.388 -7.802 1.00 0.00 C ATOM 1064 CD LYS A 75 12.865 -4.956 -8.995 1.00 0.00 C ATOM 1065 CE LYS A 75 14.335 -5.194 -8.683 1.00 0.00 C ATOM 1066 NZ LYS A 75 15.085 -5.654 -9.878 1.00 0.00 N ATOM 0 H LYS A 75 11.944 -3.146 -4.890 1.00 0.00 H new ATOM 0 HA LYS A 75 10.338 -5.400 -5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.329 -4.863 -6.112 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.490 -6.238 -6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.042 -4.388 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.405 -3.350 -7.646 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.403 -5.895 -9.301 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.780 -4.269 -9.837 1.00 0.00 H new ATOM 0 HE2 LYS A 75 14.780 -4.273 -8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.423 -5.937 -7.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 16.082 -5.805 -9.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.676 -6.546 -10.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.023 -4.934 -10.625 1.00 0.00 H new ATOM 1080 N LYS A 76 12.289 -5.363 -3.264 1.00 0.00 N ATOM 1081 CA LYS A 76 12.839 -6.177 -2.183 1.00 0.00 C ATOM 1082 C LYS A 76 11.768 -6.585 -1.183 1.00 0.00 C ATOM 1083 O LYS A 76 11.805 -7.692 -0.652 1.00 0.00 O ATOM 1084 CB LYS A 76 14.004 -5.478 -1.472 1.00 0.00 C ATOM 1085 CG LYS A 76 13.691 -4.106 -0.915 1.00 0.00 C ATOM 1086 CD LYS A 76 14.106 -3.012 -1.862 1.00 0.00 C ATOM 1087 CE LYS A 76 14.997 -1.987 -1.195 1.00 0.00 C ATOM 1088 NZ LYS A 76 15.653 -1.043 -2.144 1.00 0.00 N ATOM 0 H LYS A 76 12.430 -4.358 -3.164 1.00 0.00 H new ATOM 0 HA LYS A 76 13.229 -7.083 -2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.345 -6.115 -0.655 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.834 -5.387 -2.173 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.622 -4.029 -0.716 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.202 -3.975 0.039 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.630 -3.449 -2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.218 -2.518 -2.255 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.404 -1.415 -0.482 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.767 -2.507 -0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.673 -1.243 -2.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.240 -1.160 -3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.504 -0.066 -1.820 1.00 0.00 H new ATOM 1102 N ILE A 77 10.814 -5.709 -0.919 1.00 0.00 N ATOM 1103 CA ILE A 77 9.705 -6.086 -0.062 1.00 0.00 C ATOM 1104 C ILE A 77 8.693 -6.858 -0.872 1.00 0.00 C ATOM 1105 O ILE A 77 8.292 -6.441 -1.960 1.00 0.00 O ATOM 1106 CB ILE A 77 8.993 -4.888 0.580 1.00 0.00 C ATOM 1107 CG1 ILE A 77 9.992 -3.996 1.300 1.00 0.00 C ATOM 1108 CG2 ILE A 77 7.922 -5.347 1.554 1.00 0.00 C ATOM 1109 CD1 ILE A 77 10.704 -4.683 2.450 1.00 0.00 C ATOM 0 H ILE A 77 10.784 -4.754 -1.276 1.00 0.00 H new ATOM 0 HA ILE A 77 10.126 -6.687 0.744 1.00 0.00 H new ATOM 0 HB ILE A 77 8.516 -4.319 -0.218 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.734 -3.644 0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.473 -3.116 1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.434 -4.478 1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.183 -5.949 1.025 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.379 -5.944 2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.400 -3.986 2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.972 -5.011 3.188 1.00 0.00 H new ATOM 0 HD13 ILE A 77 11.252 -5.547 2.074 1.00 0.00 H new ATOM 1121 N ILE A 78 8.295 -7.976 -0.337 1.00 0.00 N ATOM 1122 CA ILE A 78 7.318 -8.827 -0.988 1.00 0.00 C ATOM 1123 C ILE A 78 5.953 -8.603 -0.361 1.00 0.00 C ATOM 1124 O ILE A 78 5.846 -8.453 0.850 1.00 0.00 O ATOM 1125 CB ILE A 78 7.714 -10.327 -0.915 1.00 0.00 C ATOM 1126 CG1 ILE A 78 8.698 -10.675 -2.037 1.00 0.00 C ATOM 1127 CG2 ILE A 78 6.494 -11.239 -0.992 1.00 0.00 C ATOM 1128 CD1 ILE A 78 10.071 -10.060 -1.880 1.00 0.00 C ATOM 0 H ILE A 78 8.632 -8.330 0.558 1.00 0.00 H new ATOM 0 HA ILE A 78 7.283 -8.558 -2.044 1.00 0.00 H new ATOM 0 HB ILE A 78 8.194 -10.491 0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.803 -11.759 -2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.275 -10.351 -2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.814 -12.280 -0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.824 -11.021 -0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.971 -11.069 -1.933 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.701 -10.359 -2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.983 -8.974 -1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.519 -10.404 -0.948 1.00 0.00 H new ATOM 1140 N CYS A 79 4.932 -8.512 -1.193 1.00 0.00 N ATOM 1141 CA CYS A 79 3.569 -8.430 -0.721 1.00 0.00 C ATOM 1142 C CYS A 79 2.694 -9.421 -1.462 1.00 0.00 C ATOM 1143 O CYS A 79 2.768 -9.548 -2.684 1.00 0.00 O ATOM 1144 CB CYS A 79 3.043 -7.018 -0.896 1.00 0.00 C ATOM 1145 SG CYS A 79 3.847 -6.107 -2.226 1.00 0.00 S ATOM 0 H CYS A 79 5.027 -8.493 -2.208 1.00 0.00 H new ATOM 0 HA CYS A 79 3.547 -8.681 0.340 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.972 -7.060 -1.092 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.175 -6.472 0.038 1.00 0.00 H new ATOM 0 HG CYS A 79 3.119 -6.175 -3.301 1.00 0.00 H new ATOM 1151 N THR A 80 1.869 -10.122 -0.714 1.00 0.00 N ATOM 1152 CA THR A 80 1.028 -11.154 -1.274 1.00 0.00 C ATOM 1153 C THR A 80 -0.416 -11.025 -0.802 1.00 0.00 C ATOM 1154 O THR A 80 -0.719 -11.284 0.362 1.00 0.00 O ATOM 1155 CB THR A 80 1.546 -12.548 -0.884 1.00 0.00 C ATOM 1156 OG1 THR A 80 2.774 -12.842 -1.565 1.00 0.00 O ATOM 1157 CG2 THR A 80 0.498 -13.598 -1.195 1.00 0.00 C ATOM 0 H THR A 80 1.764 -9.993 0.292 1.00 0.00 H new ATOM 0 HA THR A 80 1.060 -11.032 -2.357 1.00 0.00 H new ATOM 0 HB THR A 80 1.744 -12.558 0.188 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.089 -13.732 -1.303 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.874 -14.582 -0.915 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.410 -13.383 -0.632 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.275 -13.585 -2.262 1.00 0.00 H new ATOM 1165 N CYS A 81 -1.295 -10.618 -1.699 1.00 0.00 N ATOM 1166 CA CYS A 81 -2.715 -10.715 -1.448 1.00 0.00 C ATOM 1167 C CYS A 81 -3.202 -12.047 -2.000 1.00 0.00 C ATOM 1168 O CYS A 81 -2.798 -12.470 -3.085 1.00 0.00 O ATOM 1169 CB CYS A 81 -3.461 -9.535 -2.064 1.00 0.00 C ATOM 1170 SG CYS A 81 -3.003 -7.939 -1.343 1.00 0.00 S ATOM 0 H CYS A 81 -1.048 -10.219 -2.605 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.913 -10.675 -0.377 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.265 -9.511 -3.136 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.533 -9.687 -1.939 1.00 0.00 H new ATOM 0 HG CYS A 81 -2.005 -7.434 -2.006 1.00 0.00 H new ATOM 1176 N LYS A 82 -4.052 -12.704 -1.245 1.00 0.00 N ATOM 1177 CA LYS A 82 -4.333 -14.114 -1.456 1.00 0.00 C ATOM 1178 C LYS A 82 -5.699 -14.343 -2.095 1.00 0.00 C ATOM 1179 O LYS A 82 -6.386 -13.399 -2.480 1.00 0.00 O ATOM 1180 CB LYS A 82 -4.235 -14.842 -0.122 1.00 0.00 C ATOM 1181 CG LYS A 82 -2.875 -14.691 0.537 1.00 0.00 C ATOM 1182 CD LYS A 82 -2.838 -15.331 1.910 1.00 0.00 C ATOM 1183 CE LYS A 82 -2.999 -16.840 1.831 1.00 0.00 C ATOM 1184 NZ LYS A 82 -2.799 -17.486 3.153 1.00 0.00 N ATOM 0 H LYS A 82 -4.567 -12.284 -0.471 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.595 -14.510 -2.153 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.003 -14.461 0.551 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.443 -15.901 -0.276 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.113 -15.145 -0.096 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.629 -13.633 0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.893 -15.091 2.398 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.632 -14.912 2.528 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.994 -17.080 1.456 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.282 -17.245 1.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.917 -18.515 3.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.841 -17.278 3.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.499 -17.118 3.829 1.00 0.00 H new ATOM 1198 N GLU A 83 -6.077 -15.609 -2.216 1.00 0.00 N ATOM 1199 CA GLU A 83 -7.355 -15.986 -2.817 1.00 0.00 C ATOM 1200 C GLU A 83 -8.543 -15.296 -2.131 1.00 0.00 C ATOM 1201 O GLU A 83 -9.403 -14.737 -2.812 1.00 0.00 O ATOM 1202 CB GLU A 83 -7.534 -17.511 -2.776 1.00 0.00 C ATOM 1203 CG GLU A 83 -8.679 -18.019 -3.636 1.00 0.00 C ATOM 1204 CD GLU A 83 -8.397 -17.852 -5.112 1.00 0.00 C ATOM 1205 OE1 GLU A 83 -7.749 -18.742 -5.699 1.00 0.00 O ATOM 1206 OE2 GLU A 83 -8.811 -16.828 -5.693 1.00 0.00 O ATOM 0 H GLU A 83 -5.513 -16.400 -1.904 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.336 -15.651 -3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.609 -17.985 -3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.702 -17.820 -1.744 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.857 -19.072 -3.418 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.592 -17.482 -3.378 1.00 0.00 H new ATOM 1213 N PRO A 84 -8.621 -15.313 -0.782 1.00 0.00 N ATOM 1214 CA PRO A 84 -9.723 -14.670 -0.055 1.00 0.00 C ATOM 1215 C PRO A 84 -9.667 -13.144 -0.104 1.00 0.00 C ATOM 1216 O PRO A 84 -10.373 -12.472 0.645 1.00 0.00 O ATOM 1217 CB PRO A 84 -9.522 -15.148 1.386 1.00 0.00 C ATOM 1218 CG PRO A 84 -8.069 -15.431 1.484 1.00 0.00 C ATOM 1219 CD PRO A 84 -7.678 -15.972 0.145 1.00 0.00 C ATOM 0 HA PRO A 84 -10.688 -14.931 -0.490 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.827 -14.386 2.103 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.115 -16.038 1.595 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.508 -14.527 1.722 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.862 -16.152 2.275 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -6.643 -15.732 -0.098 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.771 -17.057 0.108 1.00 0.00 H new ATOM 1227 N THR A 85 -8.836 -12.587 -0.978 1.00 0.00 N ATOM 1228 CA THR A 85 -8.688 -11.142 -1.025 1.00 0.00 C ATOM 1229 C THR A 85 -8.906 -10.592 -2.441 1.00 0.00 C ATOM 1230 O THR A 85 -8.081 -10.783 -3.335 1.00 0.00 O ATOM 1231 CB THR A 85 -7.313 -10.677 -0.471 1.00 0.00 C ATOM 1232 OG1 THR A 85 -6.243 -11.113 -1.304 1.00 0.00 O ATOM 1233 CG2 THR A 85 -7.088 -11.198 0.943 1.00 0.00 C ATOM 0 H THR A 85 -8.267 -13.103 -1.649 1.00 0.00 H new ATOM 0 HA THR A 85 -9.465 -10.734 -0.378 1.00 0.00 H new ATOM 0 HB THR A 85 -7.329 -9.587 -0.456 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.579 -11.767 -1.952 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.118 -10.858 1.306 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.873 -10.822 1.599 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.111 -12.288 0.937 1.00 0.00 H new ATOM 1241 N PRO A 86 -10.068 -9.925 -2.641 1.00 0.00 N ATOM 1242 CA PRO A 86 -10.470 -9.270 -3.901 1.00 0.00 C ATOM 1243 C PRO A 86 -9.351 -8.586 -4.724 1.00 0.00 C ATOM 1244 O PRO A 86 -9.342 -8.721 -5.946 1.00 0.00 O ATOM 1245 CB PRO A 86 -11.511 -8.261 -3.395 1.00 0.00 C ATOM 1246 CG PRO A 86 -12.229 -9.036 -2.356 1.00 0.00 C ATOM 1247 CD PRO A 86 -11.153 -9.800 -1.629 1.00 0.00 C ATOM 0 HA PRO A 86 -10.824 -10.001 -4.628 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.043 -7.367 -2.983 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.179 -7.933 -4.191 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.773 -8.378 -1.678 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.960 -9.711 -2.801 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.813 -9.267 -0.741 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.508 -10.776 -1.299 1.00 0.00 H new ATOM 1255 N ASN A 87 -8.414 -7.858 -4.105 1.00 0.00 N ATOM 1256 CA ASN A 87 -7.396 -7.152 -4.907 1.00 0.00 C ATOM 1257 C ASN A 87 -6.074 -6.982 -4.196 1.00 0.00 C ATOM 1258 O ASN A 87 -5.973 -7.148 -2.986 1.00 0.00 O ATOM 1259 CB ASN A 87 -7.865 -5.757 -5.314 1.00 0.00 C ATOM 1260 CG ASN A 87 -7.104 -5.194 -6.502 1.00 0.00 C ATOM 1261 OD1 ASN A 87 -6.712 -5.927 -7.410 1.00 0.00 O ATOM 1262 ND2 ASN A 87 -6.875 -3.890 -6.487 1.00 0.00 N ATOM 0 H ASN A 87 -8.335 -7.741 -3.095 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.254 -7.791 -5.779 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.927 -5.794 -5.555 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.754 -5.081 -4.466 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.355 -3.455 -7.249 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.219 -3.321 -5.714 1.00 0.00 H new ATOM 1269 N ALA A 88 -5.079 -6.632 -4.995 1.00 0.00 N ATOM 1270 CA ALA A 88 -3.825 -6.087 -4.514 1.00 0.00 C ATOM 1271 C ALA A 88 -3.520 -4.823 -5.311 1.00 0.00 C ATOM 1272 O ALA A 88 -3.158 -4.889 -6.484 1.00 0.00 O ATOM 1273 CB ALA A 88 -2.693 -7.095 -4.659 1.00 0.00 C ATOM 0 H ALA A 88 -5.123 -6.721 -6.010 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.912 -5.853 -3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.766 -6.657 -4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.926 -7.990 -4.082 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.575 -7.361 -5.709 1.00 0.00 H new ATOM 1279 N TYR A 89 -3.696 -3.679 -4.673 1.00 0.00 N ATOM 1280 CA TYR A 89 -3.436 -2.392 -5.300 1.00 0.00 C ATOM 1281 C TYR A 89 -1.960 -2.097 -5.203 1.00 0.00 C ATOM 1282 O TYR A 89 -1.371 -2.304 -4.144 1.00 0.00 O ATOM 1283 CB TYR A 89 -4.188 -1.282 -4.573 1.00 0.00 C ATOM 1284 CG TYR A 89 -5.195 -0.517 -5.391 1.00 0.00 C ATOM 1285 CD1 TYR A 89 -4.819 0.543 -6.202 1.00 0.00 C ATOM 1286 CD2 TYR A 89 -6.530 -0.809 -5.278 1.00 0.00 C ATOM 1287 CE1 TYR A 89 -5.765 1.271 -6.901 1.00 0.00 C ATOM 1288 CE2 TYR A 89 -7.482 -0.090 -5.952 1.00 0.00 C ATOM 1289 CZ TYR A 89 -7.101 0.954 -6.765 1.00 0.00 C ATOM 1290 OH TYR A 89 -8.055 1.685 -7.444 1.00 0.00 O ATOM 0 H TYR A 89 -4.022 -3.614 -3.709 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.764 -2.434 -6.339 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -4.703 -1.720 -3.718 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.458 -0.575 -4.178 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.775 0.803 -6.289 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.839 -1.626 -4.642 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.460 2.081 -7.548 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.527 -0.341 -5.846 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.661 2.109 -6.801 1.00 0.00 H new ATOM 1300 N TYR A 90 -1.365 -1.620 -6.286 1.00 0.00 N ATOM 1301 CA TYR A 90 0.034 -1.225 -6.258 1.00 0.00 C ATOM 1302 C TYR A 90 0.902 -2.383 -5.808 1.00 0.00 C ATOM 1303 O TYR A 90 1.681 -2.269 -4.868 1.00 0.00 O ATOM 1304 CB TYR A 90 0.204 0.007 -5.357 1.00 0.00 C ATOM 1305 CG TYR A 90 -0.351 1.258 -6.003 1.00 0.00 C ATOM 1306 CD1 TYR A 90 0.431 2.026 -6.856 1.00 0.00 C ATOM 1307 CD2 TYR A 90 -1.664 1.649 -5.790 1.00 0.00 C ATOM 1308 CE1 TYR A 90 -0.075 3.159 -7.465 1.00 0.00 C ATOM 1309 CE2 TYR A 90 -2.179 2.777 -6.399 1.00 0.00 C ATOM 1310 CZ TYR A 90 -1.383 3.526 -7.236 1.00 0.00 C ATOM 1311 OH TYR A 90 -1.897 4.647 -7.845 1.00 0.00 O ATOM 0 H TYR A 90 -1.825 -1.498 -7.188 1.00 0.00 H new ATOM 0 HA TYR A 90 0.358 -0.954 -7.263 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.301 -0.166 -4.407 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.261 0.151 -5.135 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.453 1.733 -7.047 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.294 1.063 -5.138 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.550 3.752 -8.116 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.203 3.070 -6.219 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.833 4.764 -7.578 1.00 0.00 H new ATOM 1321 N GLU A 91 0.717 -3.514 -6.490 1.00 0.00 N ATOM 1322 CA GLU A 91 1.510 -4.720 -6.284 1.00 0.00 C ATOM 1323 C GLU A 91 1.172 -5.401 -4.958 1.00 0.00 C ATOM 1324 O GLU A 91 1.636 -6.506 -4.680 1.00 0.00 O ATOM 1325 CB GLU A 91 2.993 -4.377 -6.353 1.00 0.00 C ATOM 1326 CG GLU A 91 3.341 -3.422 -7.487 1.00 0.00 C ATOM 1327 CD GLU A 91 3.449 -4.105 -8.830 1.00 0.00 C ATOM 1328 OE1 GLU A 91 4.273 -5.034 -8.971 1.00 0.00 O ATOM 1329 OE2 GLU A 91 2.718 -3.710 -9.759 1.00 0.00 O ATOM 0 H GLU A 91 0.002 -3.616 -7.210 1.00 0.00 H new ATOM 0 HA GLU A 91 1.267 -5.427 -7.077 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.300 -3.932 -5.406 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.566 -5.297 -6.474 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.581 -2.643 -7.543 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.286 -2.929 -7.261 1.00 0.00 H new ATOM 1336 N GLY A 92 0.341 -4.750 -4.163 1.00 0.00 N ATOM 1337 CA GLY A 92 -0.053 -5.294 -2.881 1.00 0.00 C ATOM 1338 C GLY A 92 0.187 -4.325 -1.741 1.00 0.00 C ATOM 1339 O GLY A 92 0.350 -4.737 -0.595 1.00 0.00 O ATOM 0 H GLY A 92 -0.072 -3.844 -4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.110 -5.559 -2.912 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.501 -6.214 -2.694 1.00 0.00 H new ATOM 1343 N VAL A 93 0.220 -3.033 -2.057 1.00 0.00 N ATOM 1344 CA VAL A 93 0.268 -1.998 -1.030 1.00 0.00 C ATOM 1345 C VAL A 93 -1.071 -1.958 -0.306 1.00 0.00 C ATOM 1346 O VAL A 93 -1.172 -1.536 0.848 1.00 0.00 O ATOM 1347 CB VAL A 93 0.588 -0.604 -1.626 1.00 0.00 C ATOM 1348 CG1 VAL A 93 0.717 0.456 -0.543 1.00 0.00 C ATOM 1349 CG2 VAL A 93 1.860 -0.660 -2.450 1.00 0.00 C ATOM 0 H VAL A 93 0.214 -2.679 -3.014 1.00 0.00 H new ATOM 0 HA VAL A 93 1.070 -2.244 -0.334 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.246 -0.325 -2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.942 1.419 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.220 0.527 0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.522 0.183 0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.071 0.327 -2.862 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.690 -0.974 -1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.735 -1.373 -3.264 1.00 0.00 H new ATOM 1359 N PHE A 94 -2.107 -2.408 -1.008 1.00 0.00 N ATOM 1360 CA PHE A 94 -3.438 -2.539 -0.423 1.00 0.00 C ATOM 1361 C PHE A 94 -4.131 -3.741 -1.003 1.00 0.00 C ATOM 1362 O PHE A 94 -3.830 -4.171 -2.110 1.00 0.00 O ATOM 1363 CB PHE A 94 -4.340 -1.322 -0.706 1.00 0.00 C ATOM 1364 CG PHE A 94 -3.631 -0.017 -0.739 1.00 0.00 C ATOM 1365 CD1 PHE A 94 -2.845 0.306 -1.821 1.00 0.00 C ATOM 1366 CD2 PHE A 94 -3.740 0.876 0.302 1.00 0.00 C ATOM 1367 CE1 PHE A 94 -2.175 1.494 -1.872 1.00 0.00 C ATOM 1368 CE2 PHE A 94 -3.076 2.076 0.258 1.00 0.00 C ATOM 1369 CZ PHE A 94 -2.290 2.384 -0.828 1.00 0.00 C ATOM 0 H PHE A 94 -2.050 -2.689 -1.987 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.289 -2.628 0.653 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.840 -1.472 -1.663 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.118 -1.278 0.057 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.757 -0.390 -2.642 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.351 0.631 1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.559 1.734 -2.726 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.170 2.777 1.074 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.762 3.326 -0.862 1.00 0.00 H new ATOM 1379 N CYS A 95 -5.048 -4.278 -0.245 1.00 0.00 N ATOM 1380 CA CYS A 95 -5.990 -5.222 -0.767 1.00 0.00 C ATOM 1381 C CYS A 95 -7.312 -4.499 -0.922 1.00 0.00 C ATOM 1382 O CYS A 95 -7.866 -4.001 0.042 1.00 0.00 O ATOM 1383 CB CYS A 95 -6.082 -6.413 0.173 1.00 0.00 C ATOM 1384 SG CYS A 95 -6.500 -5.989 1.881 1.00 0.00 S ATOM 0 H CYS A 95 -5.161 -4.073 0.748 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.686 -5.611 -1.739 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.832 -7.105 -0.210 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -5.128 -6.940 0.166 1.00 0.00 H new ATOM 0 HG CYS A 95 -7.274 -4.945 1.892 1.00 0.00 H new ATOM 1390 N SER A 96 -7.835 -4.495 -2.132 1.00 0.00 N ATOM 1391 CA SER A 96 -8.792 -3.483 -2.546 1.00 0.00 C ATOM 1392 C SER A 96 -9.913 -3.993 -3.456 1.00 0.00 C ATOM 1393 O SER A 96 -10.042 -5.184 -3.712 1.00 0.00 O ATOM 1394 CB SER A 96 -8.046 -2.370 -3.233 1.00 0.00 C ATOM 1395 OG SER A 96 -6.999 -1.877 -2.421 1.00 0.00 O ATOM 0 H SER A 96 -7.613 -5.184 -2.851 1.00 0.00 H new ATOM 0 HA SER A 96 -9.291 -3.139 -1.640 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.638 -2.731 -4.177 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.736 -1.561 -3.473 1.00 0.00 H new ATOM 0 HG SER A 96 -7.343 -1.685 -1.524 1.00 0.00 H new ATOM 1401 N SER A 97 -10.771 -3.046 -3.831 1.00 0.00 N ATOM 1402 CA SER A 97 -12.006 -3.259 -4.601 1.00 0.00 C ATOM 1403 C SER A 97 -11.959 -4.366 -5.651 1.00 0.00 C ATOM 1404 O SER A 97 -12.983 -4.990 -5.920 1.00 0.00 O ATOM 1405 CB SER A 97 -12.322 -1.954 -5.321 1.00 0.00 C ATOM 1406 OG SER A 97 -11.123 -1.357 -5.794 1.00 0.00 O ATOM 0 H SER A 97 -10.622 -2.064 -3.599 1.00 0.00 H new ATOM 0 HA SER A 97 -12.759 -3.573 -3.878 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.997 -2.144 -6.155 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.836 -1.271 -4.644 1.00 0.00 H new ATOM 0 HG SER A 97 -11.335 -0.520 -6.257 1.00 0.00 H new