USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 691 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 -75:sc= 1.25 USER MOD Set 1.2: A 81 CYS SG : rot -100:sc= -1.64 USER MOD Set 1.3: A 95 CYS SG : rot -62:sc= 0.14 USER MOD Set 2.1: A 64 SER OG : rot 180:sc= 0.117 USER MOD Set 2.2: A 82 LYS NZ :NH3+ -179:sc= 1.54 (180deg=1.22) USER MOD Set 3.1: A 59 CYS SG : rot -132:sc= -4.21! USER MOD Set 3.2: A 79 CYS SG : rot 96:sc= -8.57! USER MOD Set 4.1: A 52 CYS SG : rot 70:sc= 0.95 USER MOD Set 4.2: A 67 ASN : amide:sc= 0.304 K(o=1.3,f=-4.7!) USER MOD Set 5.1: A 56 ASN : amide:sc= -1.37 K(o=-4,f=-8) USER MOD Set 5.2: A 65 CYS SG : rot -134:sc= -2.66! USER MOD Set 6.1: A 48 ASN : amide:sc= 0.638 X(o=-2.9,f=-3.3) USER MOD Set 6.2: A 73 ASN : amide:sc= -3.49 X(o=-2.9,f=-3.3!) USER MOD Set 7.1: A 32 CYS SG : rot 180:sc= 1.28 USER MOD Set 7.2: A 44 CYS SG : rot -88:sc= -5.62! USER MOD Set 7.3: A 55 ASN : amide:sc= -0.121 K(o=-4.5,f=-5.3) USER MOD Set 8.1: A 8 CYS SG : rot 16:sc= 0.65 USER MOD Set 8.2: A 20 CYS SG : rot 27:sc= 0.0884 USER MOD Set 8.3: A 89 TYR OH : rot -97:sc= 0.751 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 165:sc= 0.99 (180deg=0.731) USER MOD Single : A 6 HIS : no HD1:sc= -9.65! C(o=-9.6!,f=-14!) USER MOD Single : A 11 THR OG1 : rot 19:sc= 0.717 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 1.1 K(o=1.1,f=-0.5) USER MOD Single : A 27 THR OG1 : rot 98:sc= 1.26 USER MOD Single : A 28 LYS NZ :NH3+ 162:sc= -0.0887 (180deg=-0.43) 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+ -160:sc= -0.0927 (180deg=-0.453) USER MOD Single : A 42 ASN : amide:sc= -1.1! K(o=-1.1!,f=0) USER MOD Single : A 43 THR OG1 : rot -144:sc= -3.6! USER MOD Single : A 47 ASN : amide:sc= -1.5 K(o=-1.5,f=-2.6) USER MOD Single : A 49 ASN : amide:sc= -0.0413 K(o=-0.041,f=-1.1) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -1.22! K(o=-1.2!,f=-0.038) USER MOD Single : A 70 SER OG : rot 165:sc= 0.751 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -151:sc= -1.89! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 157:sc= 1.21 (180deg=0.983) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 24:sc= 0.553 USER MOD Single : A 87 ASN : amide:sc= -3.14! C(o=-3.1!,f=-2.6!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -150:sc= -0.59 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.403 -11.383 7.153 1.00 0.00 N ATOM 2 CA GLY A 1 -8.235 -10.604 8.098 1.00 0.00 C ATOM 3 C GLY A 1 -9.485 -10.057 7.444 1.00 0.00 C ATOM 4 O GLY A 1 -10.560 -10.650 7.543 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.558 -11.738 7.645 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.953 -12.186 6.787 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.112 -10.773 6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.515 -11.237 8.940 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.648 -9.779 8.501 1.00 0.00 H new ATOM 10 N VAL A 2 -9.348 -8.922 6.772 1.00 0.00 N ATOM 11 CA VAL A 2 -10.470 -8.287 6.105 1.00 0.00 C ATOM 12 C VAL A 2 -10.424 -8.574 4.614 1.00 0.00 C ATOM 13 O VAL A 2 -9.377 -8.912 4.062 1.00 0.00 O ATOM 14 CB VAL A 2 -10.470 -6.760 6.333 1.00 0.00 C ATOM 15 CG1 VAL A 2 -11.788 -6.127 5.913 1.00 0.00 C ATOM 16 CG2 VAL A 2 -10.181 -6.443 7.784 1.00 0.00 C ATOM 0 H VAL A 2 -8.464 -8.422 6.676 1.00 0.00 H new ATOM 0 HA VAL A 2 -11.384 -8.700 6.531 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.683 -6.336 5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.748 -5.052 6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -11.960 -6.315 4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.601 -6.560 6.495 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.185 -5.363 7.928 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.946 -6.896 8.415 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.204 -6.842 8.056 1.00 0.00 H new ATOM 26 N ASP A 3 -11.568 -8.425 3.982 1.00 0.00 N ATOM 27 CA ASP A 3 -11.730 -8.695 2.567 1.00 0.00 C ATOM 28 C ASP A 3 -11.555 -7.408 1.780 1.00 0.00 C ATOM 29 O ASP A 3 -12.384 -6.519 1.883 1.00 0.00 O ATOM 30 CB ASP A 3 -13.126 -9.255 2.272 1.00 0.00 C ATOM 31 CG ASP A 3 -13.540 -10.376 3.201 1.00 0.00 C ATOM 32 OD1 ASP A 3 -14.141 -10.077 4.258 1.00 0.00 O ATOM 33 OD2 ASP A 3 -13.295 -11.553 2.872 1.00 0.00 O ATOM 0 H ASP A 3 -12.423 -8.109 4.440 1.00 0.00 H new ATOM 0 HA ASP A 3 -10.979 -9.429 2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.855 -8.447 2.344 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.153 -9.618 1.244 1.00 0.00 H new ATOM 38 N PRO A 4 -10.469 -7.316 0.997 1.00 0.00 N ATOM 39 CA PRO A 4 -10.125 -6.197 0.095 1.00 0.00 C ATOM 40 C PRO A 4 -11.277 -5.463 -0.601 1.00 0.00 C ATOM 41 O PRO A 4 -11.078 -4.333 -1.013 1.00 0.00 O ATOM 42 CB PRO A 4 -9.325 -6.950 -0.954 1.00 0.00 C ATOM 43 CG PRO A 4 -8.551 -7.947 -0.186 1.00 0.00 C ATOM 44 CD PRO A 4 -9.366 -8.283 1.025 1.00 0.00 C ATOM 0 HA PRO A 4 -9.648 -5.390 0.652 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -9.979 -7.430 -1.682 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -8.668 -6.280 -1.509 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -8.364 -8.838 -0.786 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -7.579 -7.545 0.101 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.734 -9.308 0.985 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -8.779 -8.191 1.938 1.00 0.00 H new ATOM 52 N LYS A 5 -12.449 -6.085 -0.720 1.00 0.00 N ATOM 53 CA LYS A 5 -13.664 -5.497 -1.359 1.00 0.00 C ATOM 54 C LYS A 5 -14.015 -4.039 -0.940 1.00 0.00 C ATOM 55 O LYS A 5 -15.056 -3.521 -1.335 1.00 0.00 O ATOM 56 CB LYS A 5 -14.850 -6.397 -1.053 1.00 0.00 C ATOM 57 CG LYS A 5 -15.079 -6.541 0.431 1.00 0.00 C ATOM 58 CD LYS A 5 -16.177 -5.613 0.926 1.00 0.00 C ATOM 59 CE LYS A 5 -16.819 -6.126 2.208 1.00 0.00 C ATOM 60 NZ LYS A 5 -15.826 -6.345 3.289 1.00 0.00 N ATOM 0 H LYS A 5 -12.602 -7.032 -0.373 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.436 -5.438 -2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.746 -5.988 -1.521 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.682 -7.381 -1.491 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.345 -7.573 0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.153 -6.325 0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -15.762 -4.620 1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.940 -5.509 0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.569 -5.411 2.547 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.340 -7.061 2.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.320 -6.445 4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.284 -7.211 3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.177 -5.533 3.334 1.00 0.00 H new ATOM 74 N HIS A 6 -13.161 -3.404 -0.154 1.00 0.00 N ATOM 75 CA HIS A 6 -13.394 -2.071 0.409 1.00 0.00 C ATOM 76 C HIS A 6 -13.512 -1.022 -0.690 1.00 0.00 C ATOM 77 O HIS A 6 -14.118 0.026 -0.490 1.00 0.00 O ATOM 78 CB HIS A 6 -12.208 -1.642 1.272 1.00 0.00 C ATOM 79 CG HIS A 6 -11.750 -2.598 2.317 1.00 0.00 C ATOM 80 ND1 HIS A 6 -10.869 -2.244 3.316 1.00 0.00 N ATOM 81 CD2 HIS A 6 -11.984 -3.902 2.476 1.00 0.00 C ATOM 82 CE1 HIS A 6 -10.584 -3.303 4.041 1.00 0.00 C ATOM 83 NE2 HIS A 6 -11.252 -4.325 3.554 1.00 0.00 N ATOM 0 H HIS A 6 -12.264 -3.805 0.121 1.00 0.00 H new ATOM 0 HA HIS A 6 -14.314 -2.135 0.989 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.366 -1.434 0.611 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.468 -0.704 1.762 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -12.633 -4.513 1.866 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.917 -3.329 4.890 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.229 -5.277 3.919 1.00 0.00 H new ATOM 92 N VAL A 7 -12.867 -1.327 -1.822 1.00 0.00 N ATOM 93 CA VAL A 7 -12.792 -0.447 -3.015 1.00 0.00 C ATOM 94 C VAL A 7 -12.253 0.929 -2.698 1.00 0.00 C ATOM 95 O VAL A 7 -11.561 1.114 -1.710 1.00 0.00 O ATOM 96 CB VAL A 7 -14.146 -0.346 -3.773 1.00 0.00 C ATOM 97 CG1 VAL A 7 -14.720 -1.726 -3.996 1.00 0.00 C ATOM 98 CG2 VAL A 7 -15.158 0.535 -3.059 1.00 0.00 C ATOM 0 H VAL A 7 -12.369 -2.209 -1.946 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.077 -0.931 -3.681 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.939 0.127 -4.733 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.668 -1.644 -4.528 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.022 -2.319 -4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -14.884 -2.212 -3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.083 0.567 -3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.361 0.127 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.757 1.544 -2.960 1.00 0.00 H new ATOM 108 N CYS A 8 -12.454 1.844 -3.629 1.00 0.00 N ATOM 109 CA CYS A 8 -12.120 3.238 -3.425 1.00 0.00 C ATOM 110 C CYS A 8 -13.025 4.107 -4.279 1.00 0.00 C ATOM 111 O CYS A 8 -13.493 3.682 -5.335 1.00 0.00 O ATOM 112 CB CYS A 8 -10.648 3.487 -3.748 1.00 0.00 C ATOM 113 SG CYS A 8 -10.229 3.400 -5.505 1.00 0.00 S ATOM 0 H CYS A 8 -12.853 1.640 -4.545 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.276 3.498 -2.378 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.370 4.471 -3.371 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.044 2.757 -3.209 1.00 0.00 H new ATOM 0 HG CYS A 8 -11.316 3.469 -6.214 1.00 0.00 H new ATOM 119 N VAL A 9 -13.301 5.308 -3.798 1.00 0.00 N ATOM 120 CA VAL A 9 -14.246 6.187 -4.463 1.00 0.00 C ATOM 121 C VAL A 9 -13.636 7.554 -4.717 1.00 0.00 C ATOM 122 O VAL A 9 -13.531 8.003 -5.854 1.00 0.00 O ATOM 123 CB VAL A 9 -15.530 6.373 -3.626 1.00 0.00 C ATOM 124 CG1 VAL A 9 -16.578 7.150 -4.406 1.00 0.00 C ATOM 125 CG2 VAL A 9 -16.080 5.028 -3.170 1.00 0.00 C ATOM 0 H VAL A 9 -12.885 5.695 -2.951 1.00 0.00 H new ATOM 0 HA VAL A 9 -14.498 5.714 -5.412 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.273 6.951 -2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.473 7.268 -3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -16.184 8.133 -4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -16.830 6.608 -5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -16.984 5.185 -2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -16.315 4.417 -4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.335 4.518 -2.560 1.00 0.00 H new ATOM 135 N ASP A 10 -13.224 8.207 -3.643 1.00 0.00 N ATOM 136 CA ASP A 10 -12.761 9.586 -3.721 1.00 0.00 C ATOM 137 C ASP A 10 -11.249 9.626 -3.775 1.00 0.00 C ATOM 138 O ASP A 10 -10.665 9.973 -4.800 1.00 0.00 O ATOM 139 CB ASP A 10 -13.231 10.388 -2.509 1.00 0.00 C ATOM 140 CG ASP A 10 -14.674 10.138 -2.136 1.00 0.00 C ATOM 141 OD1 ASP A 10 -14.939 9.148 -1.425 1.00 0.00 O ATOM 142 OD2 ASP A 10 -15.537 10.951 -2.521 1.00 0.00 O ATOM 0 H ASP A 10 -13.200 7.806 -2.706 1.00 0.00 H new ATOM 0 HA ASP A 10 -13.178 10.027 -4.626 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.597 10.145 -1.656 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.097 11.450 -2.713 1.00 0.00 H new ATOM 147 N THR A 11 -10.625 9.275 -2.653 1.00 0.00 N ATOM 148 CA THR A 11 -9.170 9.205 -2.545 1.00 0.00 C ATOM 149 C THR A 11 -8.499 10.497 -3.018 1.00 0.00 C ATOM 150 O THR A 11 -7.489 10.480 -3.718 1.00 0.00 O ATOM 151 CB THR A 11 -8.615 7.966 -3.282 1.00 0.00 C ATOM 152 OG1 THR A 11 -9.029 7.942 -4.653 1.00 0.00 O ATOM 153 CG2 THR A 11 -9.098 6.700 -2.586 1.00 0.00 C ATOM 0 H THR A 11 -11.115 9.031 -1.792 1.00 0.00 H new ATOM 0 HA THR A 11 -8.926 9.095 -1.488 1.00 0.00 H new ATOM 0 HB THR A 11 -7.527 8.018 -3.256 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.309 8.841 -4.926 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.706 5.826 -3.107 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.747 6.695 -1.554 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.188 6.671 -2.598 1.00 0.00 H new ATOM 161 N ARG A 12 -9.084 11.618 -2.610 1.00 0.00 N ATOM 162 CA ARG A 12 -8.520 12.931 -2.883 1.00 0.00 C ATOM 163 C ARG A 12 -7.516 13.289 -1.795 1.00 0.00 C ATOM 164 O ARG A 12 -6.654 14.148 -1.974 1.00 0.00 O ATOM 165 CB ARG A 12 -9.631 13.971 -2.939 1.00 0.00 C ATOM 166 CG ARG A 12 -10.586 13.770 -4.100 1.00 0.00 C ATOM 167 CD ARG A 12 -11.935 14.393 -3.812 1.00 0.00 C ATOM 168 NE ARG A 12 -11.832 15.818 -3.505 1.00 0.00 N ATOM 169 CZ ARG A 12 -12.774 16.516 -2.872 1.00 0.00 C ATOM 170 NH1 ARG A 12 -13.866 15.914 -2.412 1.00 0.00 N ATOM 171 NH2 ARG A 12 -12.611 17.818 -2.676 1.00 0.00 N ATOM 0 H ARG A 12 -9.958 11.641 -2.084 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.010 12.914 -3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.194 13.941 -2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.186 14.963 -3.012 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.164 14.212 -5.003 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.708 12.704 -4.294 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.588 14.255 -4.674 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.401 13.875 -2.973 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.986 16.309 -3.793 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.988 14.910 -2.542 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.582 16.456 -1.929 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.766 18.282 -3.010 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.331 18.355 -2.192 1.00 0.00 H new ATOM 185 N ASP A 13 -7.649 12.606 -0.660 1.00 0.00 N ATOM 186 CA ASP A 13 -6.749 12.770 0.480 1.00 0.00 C ATOM 187 C ASP A 13 -5.430 12.070 0.201 1.00 0.00 C ATOM 188 O ASP A 13 -4.467 12.191 0.957 1.00 0.00 O ATOM 189 CB ASP A 13 -7.367 12.152 1.743 1.00 0.00 C ATOM 190 CG ASP A 13 -8.838 12.472 1.906 1.00 0.00 C ATOM 191 OD1 ASP A 13 -9.663 11.888 1.169 1.00 0.00 O ATOM 192 OD2 ASP A 13 -9.184 13.304 2.767 1.00 0.00 O ATOM 0 H ASP A 13 -8.388 11.920 -0.504 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.585 13.836 0.634 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.239 11.070 1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.825 12.511 2.618 1.00 0.00 H new ATOM 197 N ILE A 14 -5.412 11.338 -0.900 1.00 0.00 N ATOM 198 CA ILE A 14 -4.316 10.451 -1.242 1.00 0.00 C ATOM 199 C ILE A 14 -3.175 11.222 -1.912 1.00 0.00 C ATOM 200 O ILE A 14 -3.319 11.754 -3.015 1.00 0.00 O ATOM 201 CB ILE A 14 -4.826 9.301 -2.154 1.00 0.00 C ATOM 202 CG1 ILE A 14 -5.560 8.211 -1.335 1.00 0.00 C ATOM 203 CG2 ILE A 14 -3.673 8.682 -2.944 1.00 0.00 C ATOM 204 CD1 ILE A 14 -6.615 8.714 -0.363 1.00 0.00 C ATOM 0 H ILE A 14 -6.166 11.344 -1.587 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.922 10.015 -0.324 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.539 9.733 -2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.034 7.518 -2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.818 7.642 -0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.054 7.879 -3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.209 9.445 -3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.933 8.279 -2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.064 7.868 0.156 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.152 9.381 0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.387 9.255 -0.911 1.00 0.00 H new ATOM 216 N PRO A 15 -2.043 11.324 -1.202 1.00 0.00 N ATOM 217 CA PRO A 15 -0.846 12.046 -1.657 1.00 0.00 C ATOM 218 C PRO A 15 -0.081 11.369 -2.788 1.00 0.00 C ATOM 219 O PRO A 15 -0.432 10.282 -3.250 1.00 0.00 O ATOM 220 CB PRO A 15 0.053 12.087 -0.422 1.00 0.00 C ATOM 221 CG PRO A 15 -0.788 11.645 0.716 1.00 0.00 C ATOM 222 CD PRO A 15 -1.865 10.781 0.145 1.00 0.00 C ATOM 0 HA PRO A 15 -1.141 13.016 -2.058 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.915 11.432 -0.546 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.438 13.093 -0.254 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.194 11.093 1.444 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.215 12.502 1.237 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.571 9.732 0.122 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.783 10.842 0.729 1.00 0.00 H new ATOM 230 N LYS A 16 0.957 12.062 -3.240 1.00 0.00 N ATOM 231 CA LYS A 16 1.907 11.553 -4.193 1.00 0.00 C ATOM 232 C LYS A 16 2.561 10.262 -3.734 1.00 0.00 C ATOM 233 O LYS A 16 2.815 10.078 -2.539 1.00 0.00 O ATOM 234 CB LYS A 16 3.001 12.587 -4.362 1.00 0.00 C ATOM 235 CG LYS A 16 3.714 12.467 -5.665 1.00 0.00 C ATOM 236 CD LYS A 16 5.006 13.262 -5.670 1.00 0.00 C ATOM 237 CE LYS A 16 5.872 12.925 -6.872 1.00 0.00 C ATOM 238 NZ LYS A 16 7.201 13.587 -6.794 1.00 0.00 N ATOM 0 H LYS A 16 1.157 13.016 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 16 1.371 11.351 -5.121 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.568 13.584 -4.281 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.720 12.485 -3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.931 11.418 -5.866 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.067 12.819 -6.468 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.777 14.328 -5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.561 13.059 -4.754 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.006 11.845 -6.933 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.364 13.235 -7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.764 13.334 -7.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.074 14.619 -6.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.696 13.272 -5.935 1.00 0.00 H new ATOM 252 N ASN A 17 2.855 9.392 -4.706 1.00 0.00 N ATOM 253 CA ASN A 17 3.589 8.143 -4.470 1.00 0.00 C ATOM 254 C ASN A 17 2.828 7.250 -3.510 1.00 0.00 C ATOM 255 O ASN A 17 3.355 6.259 -2.995 1.00 0.00 O ATOM 256 CB ASN A 17 4.983 8.441 -3.922 1.00 0.00 C ATOM 257 CG ASN A 17 5.794 9.330 -4.843 1.00 0.00 C ATOM 258 OD1 ASN A 17 5.768 9.177 -6.062 1.00 0.00 O ATOM 259 ND2 ASN A 17 6.480 10.300 -4.265 1.00 0.00 N ATOM 0 H ASN A 17 2.590 9.534 -5.681 1.00 0.00 H new ATOM 0 HA ASN A 17 3.691 7.620 -5.421 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.891 8.921 -2.948 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.516 7.503 -3.766 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.014 10.956 -4.835 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.475 10.393 -3.249 1.00 0.00 H new ATOM 266 N ALA A 18 1.591 7.623 -3.271 1.00 0.00 N ATOM 267 CA ALA A 18 0.731 6.901 -2.379 1.00 0.00 C ATOM 268 C ALA A 18 -0.405 6.285 -3.166 1.00 0.00 C ATOM 269 O ALA A 18 -0.998 6.929 -4.035 1.00 0.00 O ATOM 270 CB ALA A 18 0.205 7.834 -1.296 1.00 0.00 C ATOM 0 H ALA A 18 1.156 8.442 -3.696 1.00 0.00 H new ATOM 0 HA ALA A 18 1.291 6.102 -1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.447 7.278 -0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.042 8.246 -0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.357 8.646 -1.757 1.00 0.00 H new ATOM 276 N GLY A 19 -0.672 5.028 -2.894 1.00 0.00 N ATOM 277 CA GLY A 19 -1.774 4.353 -3.531 1.00 0.00 C ATOM 278 C GLY A 19 -3.083 4.716 -2.865 1.00 0.00 C ATOM 279 O GLY A 19 -3.092 5.151 -1.711 1.00 0.00 O ATOM 0 H GLY A 19 -0.141 4.456 -2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.811 4.623 -4.586 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.623 3.275 -3.483 1.00 0.00 H new ATOM 283 N CYS A 20 -4.181 4.549 -3.567 1.00 0.00 N ATOM 284 CA CYS A 20 -5.460 4.970 -3.047 1.00 0.00 C ATOM 285 C CYS A 20 -6.302 3.769 -2.612 1.00 0.00 C ATOM 286 O CYS A 20 -6.384 2.770 -3.326 1.00 0.00 O ATOM 287 CB CYS A 20 -6.175 5.791 -4.114 1.00 0.00 C ATOM 288 SG CYS A 20 -6.445 4.910 -5.670 1.00 0.00 S ATOM 0 H CYS A 20 -4.214 4.127 -4.495 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.308 5.585 -2.160 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.139 6.116 -3.721 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.593 6.690 -4.315 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.500 3.632 -5.441 1.00 0.00 H new ATOM 294 N PHE A 21 -6.908 3.860 -1.428 1.00 0.00 N ATOM 295 CA PHE A 21 -7.711 2.767 -0.899 1.00 0.00 C ATOM 296 C PHE A 21 -8.869 3.309 -0.061 1.00 0.00 C ATOM 297 O PHE A 21 -8.787 4.404 0.476 1.00 0.00 O ATOM 298 CB PHE A 21 -6.804 1.871 -0.046 1.00 0.00 C ATOM 299 CG PHE A 21 -7.433 0.613 0.484 1.00 0.00 C ATOM 300 CD1 PHE A 21 -8.062 -0.286 -0.362 1.00 0.00 C ATOM 301 CD2 PHE A 21 -7.365 0.318 1.835 1.00 0.00 C ATOM 302 CE1 PHE A 21 -8.608 -1.460 0.133 1.00 0.00 C ATOM 303 CE2 PHE A 21 -7.911 -0.850 2.332 1.00 0.00 C ATOM 304 CZ PHE A 21 -8.532 -1.738 1.476 1.00 0.00 C ATOM 0 H PHE A 21 -6.856 4.678 -0.822 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.138 2.190 -1.719 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.934 1.596 -0.642 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.440 2.455 0.799 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.128 -0.070 -1.418 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.880 1.009 2.508 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.093 -2.155 -0.536 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.852 -1.068 3.388 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.958 -2.652 1.863 1.00 0.00 H new ATOM 314 N ARG A 22 -9.966 2.577 -0.012 1.00 0.00 N ATOM 315 CA ARG A 22 -11.007 2.806 0.970 1.00 0.00 C ATOM 316 C ARG A 22 -10.912 1.680 1.972 1.00 0.00 C ATOM 317 O ARG A 22 -10.551 0.577 1.596 1.00 0.00 O ATOM 318 CB ARG A 22 -12.394 2.757 0.336 1.00 0.00 C ATOM 319 CG ARG A 22 -13.404 3.656 1.015 1.00 0.00 C ATOM 320 CD ARG A 22 -13.335 5.088 0.506 1.00 0.00 C ATOM 321 NE ARG A 22 -14.265 5.971 1.215 1.00 0.00 N ATOM 322 CZ ARG A 22 -15.564 6.084 0.932 1.00 0.00 C ATOM 323 NH1 ARG A 22 -16.132 5.286 0.043 1.00 0.00 N ATOM 324 NH2 ARG A 22 -16.306 6.979 1.568 1.00 0.00 N ATOM 0 H ARG A 22 -10.160 1.807 -0.652 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.873 3.789 1.421 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.315 3.042 -0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.759 1.730 0.361 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.407 3.262 0.850 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.231 3.646 2.091 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.319 5.465 0.622 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.562 5.105 -0.560 1.00 0.00 H new ATOM 0 HE ARG A 22 -13.894 6.538 1.977 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.576 4.576 -0.434 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.126 5.381 -0.166 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.884 7.582 2.274 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.299 7.065 1.351 1.00 0.00 H new ATOM 338 N ASP A 23 -11.182 1.922 3.230 1.00 0.00 N ATOM 339 CA ASP A 23 -11.191 0.823 4.173 1.00 0.00 C ATOM 340 C ASP A 23 -12.623 0.366 4.410 1.00 0.00 C ATOM 341 O ASP A 23 -13.567 1.044 4.001 1.00 0.00 O ATOM 342 CB ASP A 23 -10.518 1.219 5.488 1.00 0.00 C ATOM 343 CG ASP A 23 -10.160 0.015 6.335 1.00 0.00 C ATOM 344 OD1 ASP A 23 -9.061 -0.544 6.141 1.00 0.00 O ATOM 345 OD2 ASP A 23 -10.983 -0.389 7.183 1.00 0.00 O ATOM 0 H ASP A 23 -11.393 2.840 3.621 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.620 -0.005 3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.615 1.791 5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.184 1.873 6.052 1.00 0.00 H new ATOM 350 N ASP A 24 -12.781 -0.772 5.073 1.00 0.00 N ATOM 351 CA ASP A 24 -14.099 -1.347 5.325 1.00 0.00 C ATOM 352 C ASP A 24 -14.873 -0.430 6.257 1.00 0.00 C ATOM 353 O ASP A 24 -16.102 -0.452 6.312 1.00 0.00 O ATOM 354 CB ASP A 24 -13.954 -2.736 5.951 1.00 0.00 C ATOM 355 CG ASP A 24 -14.860 -3.764 5.305 1.00 0.00 C ATOM 356 OD1 ASP A 24 -16.008 -3.928 5.762 1.00 0.00 O ATOM 357 OD2 ASP A 24 -14.420 -4.428 4.344 1.00 0.00 O ATOM 0 H ASP A 24 -12.007 -1.320 5.449 1.00 0.00 H new ATOM 0 HA ASP A 24 -14.640 -1.446 4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.918 -3.064 5.863 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.180 -2.676 7.016 1.00 0.00 H new ATOM 362 N ASP A 25 -14.114 0.383 6.978 1.00 0.00 N ATOM 363 CA ASP A 25 -14.658 1.394 7.872 1.00 0.00 C ATOM 364 C ASP A 25 -15.388 2.491 7.099 1.00 0.00 C ATOM 365 O ASP A 25 -16.325 3.107 7.606 1.00 0.00 O ATOM 366 CB ASP A 25 -13.520 2.011 8.684 1.00 0.00 C ATOM 367 CG ASP A 25 -13.959 3.211 9.494 1.00 0.00 C ATOM 368 OD1 ASP A 25 -14.505 3.018 10.600 1.00 0.00 O ATOM 369 OD2 ASP A 25 -13.750 4.352 9.033 1.00 0.00 O ATOM 0 H ASP A 25 -13.094 0.359 6.958 1.00 0.00 H new ATOM 0 HA ASP A 25 -15.378 0.914 8.534 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.108 1.257 9.355 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.718 2.308 8.008 1.00 0.00 H new ATOM 374 N GLY A 26 -14.963 2.720 5.866 1.00 0.00 N ATOM 375 CA GLY A 26 -15.506 3.814 5.086 1.00 0.00 C ATOM 376 C GLY A 26 -14.494 4.924 4.910 1.00 0.00 C ATOM 377 O GLY A 26 -14.650 5.797 4.058 1.00 0.00 O ATOM 0 H GLY A 26 -14.250 2.167 5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.818 3.446 4.109 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.396 4.206 5.578 1.00 0.00 H new ATOM 381 N THR A 27 -13.454 4.892 5.726 1.00 0.00 N ATOM 382 CA THR A 27 -12.366 5.845 5.617 1.00 0.00 C ATOM 383 C THR A 27 -11.527 5.562 4.380 1.00 0.00 C ATOM 384 O THR A 27 -11.228 4.412 4.073 1.00 0.00 O ATOM 385 CB THR A 27 -11.479 5.807 6.879 1.00 0.00 C ATOM 386 OG1 THR A 27 -12.237 6.239 8.019 1.00 0.00 O ATOM 387 CG2 THR A 27 -10.241 6.683 6.726 1.00 0.00 C ATOM 0 H THR A 27 -13.341 4.210 6.476 1.00 0.00 H new ATOM 0 HA THR A 27 -12.798 6.841 5.525 1.00 0.00 H new ATOM 0 HB THR A 27 -11.147 4.779 7.021 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.563 5.456 8.511 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.643 6.629 7.635 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.649 6.332 5.881 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.545 7.715 6.552 1.00 0.00 H new ATOM 395 N LYS A 28 -11.175 6.611 3.652 1.00 0.00 N ATOM 396 CA LYS A 28 -10.275 6.459 2.524 1.00 0.00 C ATOM 397 C LYS A 28 -8.868 6.604 3.024 1.00 0.00 C ATOM 398 O LYS A 28 -8.519 7.596 3.662 1.00 0.00 O ATOM 399 CB LYS A 28 -10.504 7.486 1.419 1.00 0.00 C ATOM 400 CG LYS A 28 -11.794 8.253 1.548 1.00 0.00 C ATOM 401 CD LYS A 28 -11.757 9.531 0.744 1.00 0.00 C ATOM 402 CE LYS A 28 -12.933 10.433 1.083 1.00 0.00 C ATOM 403 NZ LYS A 28 -12.894 10.904 2.495 1.00 0.00 N ATOM 0 H LYS A 28 -11.495 7.565 3.821 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.463 5.477 2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.673 8.192 1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.492 6.976 0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.624 7.632 1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.977 8.486 2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.823 10.059 0.939 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.773 9.294 -0.320 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.932 11.294 0.415 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.864 9.894 0.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.513 11.733 2.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.222 10.143 3.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.919 11.165 2.747 1.00 0.00 H new ATOM 417 N GLU A 29 -8.079 5.619 2.733 1.00 0.00 N ATOM 418 CA GLU A 29 -6.732 5.571 3.205 1.00 0.00 C ATOM 419 C GLU A 29 -5.752 5.722 2.083 1.00 0.00 C ATOM 420 O GLU A 29 -6.098 5.670 0.900 1.00 0.00 O ATOM 421 CB GLU A 29 -6.444 4.260 3.889 1.00 0.00 C ATOM 422 CG GLU A 29 -7.280 4.009 5.120 1.00 0.00 C ATOM 423 CD GLU A 29 -6.866 4.841 6.319 1.00 0.00 C ATOM 424 OE1 GLU A 29 -6.477 6.013 6.145 1.00 0.00 O ATOM 425 OE2 GLU A 29 -6.932 4.314 7.451 1.00 0.00 O ATOM 0 H GLU A 29 -8.352 4.822 2.159 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.622 6.397 3.908 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.609 3.449 3.180 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.390 4.231 4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.324 4.217 4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.216 2.953 5.382 1.00 0.00 H new ATOM 432 N TRP A 30 -4.527 5.887 2.485 1.00 0.00 N ATOM 433 CA TRP A 30 -3.422 5.952 1.572 1.00 0.00 C ATOM 434 C TRP A 30 -2.209 5.372 2.233 1.00 0.00 C ATOM 435 O TRP A 30 -2.032 5.463 3.447 1.00 0.00 O ATOM 436 CB TRP A 30 -3.134 7.374 1.114 1.00 0.00 C ATOM 437 CG TRP A 30 -2.934 8.336 2.231 1.00 0.00 C ATOM 438 CD1 TRP A 30 -3.904 8.914 2.984 1.00 0.00 C ATOM 439 CD2 TRP A 30 -1.685 8.835 2.719 1.00 0.00 C ATOM 440 NE1 TRP A 30 -3.341 9.777 3.890 1.00 0.00 N ATOM 441 CE2 TRP A 30 -1.979 9.743 3.749 1.00 0.00 C ATOM 442 CE3 TRP A 30 -0.348 8.612 2.373 1.00 0.00 C ATOM 443 CZ2 TRP A 30 -0.986 10.427 4.438 1.00 0.00 C ATOM 444 CZ3 TRP A 30 0.633 9.290 3.060 1.00 0.00 C ATOM 445 CH2 TRP A 30 0.309 10.190 4.080 1.00 0.00 C ATOM 0 H TRP A 30 -4.263 5.981 3.466 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.684 5.377 0.684 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.243 7.370 0.486 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.960 7.720 0.493 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.962 8.723 2.885 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.854 10.351 4.560 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.091 7.922 1.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.230 11.121 5.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.670 9.124 2.807 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.102 10.710 4.596 1.00 0.00 H new ATOM 456 N ARG A 31 -1.400 4.755 1.433 1.00 0.00 N ATOM 457 CA ARG A 31 -0.200 4.122 1.889 1.00 0.00 C ATOM 458 C ARG A 31 0.871 4.439 0.917 1.00 0.00 C ATOM 459 O ARG A 31 0.606 4.934 -0.176 1.00 0.00 O ATOM 460 CB ARG A 31 -0.368 2.619 2.014 1.00 0.00 C ATOM 461 CG ARG A 31 -1.500 2.248 2.927 1.00 0.00 C ATOM 462 CD ARG A 31 -1.767 0.767 2.917 1.00 0.00 C ATOM 463 NE ARG A 31 -2.905 0.420 3.758 1.00 0.00 N ATOM 464 CZ ARG A 31 -3.703 -0.599 3.499 1.00 0.00 C ATOM 465 NH1 ARG A 31 -3.448 -1.364 2.452 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.751 -0.855 4.273 1.00 0.00 N ATOM 0 H ARG A 31 -1.555 4.674 0.428 1.00 0.00 H new ATOM 0 HA ARG A 31 0.051 4.494 2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.545 2.192 1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.557 2.182 2.389 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.267 2.568 3.943 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.401 2.781 2.624 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.956 0.438 1.895 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.882 0.235 3.265 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.093 0.989 4.583 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.644 -1.163 1.857 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.055 -2.155 2.239 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.947 -0.261 5.079 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.360 -1.646 4.062 1.00 0.00 H new ATOM 480 N CYS A 32 2.058 4.108 1.280 1.00 0.00 N ATOM 481 CA CYS A 32 3.187 4.486 0.497 1.00 0.00 C ATOM 482 C CYS A 32 3.656 3.248 -0.186 1.00 0.00 C ATOM 483 O CYS A 32 3.788 2.205 0.441 1.00 0.00 O ATOM 484 CB CYS A 32 4.279 5.057 1.395 1.00 0.00 C ATOM 485 SG CYS A 32 3.747 5.355 3.098 1.00 0.00 S ATOM 0 H CYS A 32 2.277 3.572 2.120 1.00 0.00 H new ATOM 0 HA CYS A 32 2.932 5.257 -0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.125 4.369 1.404 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.635 5.994 0.967 1.00 0.00 H new ATOM 0 HG CYS A 32 4.740 5.837 3.785 1.00 0.00 H new ATOM 491 N LEU A 33 3.789 3.391 -1.497 1.00 0.00 N ATOM 492 CA LEU A 33 4.074 2.306 -2.422 1.00 0.00 C ATOM 493 C LEU A 33 5.142 1.343 -1.915 1.00 0.00 C ATOM 494 O LEU A 33 5.783 1.589 -0.906 1.00 0.00 O ATOM 495 CB LEU A 33 4.470 2.926 -3.749 1.00 0.00 C ATOM 496 CG LEU A 33 3.367 2.920 -4.808 1.00 0.00 C ATOM 497 CD1 LEU A 33 1.998 3.107 -4.170 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.619 4.023 -5.809 1.00 0.00 C ATOM 0 H LEU A 33 3.698 4.295 -1.960 1.00 0.00 H new ATOM 0 HA LEU A 33 3.179 1.694 -2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.783 3.955 -3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.335 2.391 -4.141 1.00 0.00 H new ATOM 0 HG LEU A 33 3.380 1.955 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.231 3.099 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.811 2.296 -3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.970 4.060 -3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.832 4.017 -6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.624 4.985 -5.297 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.584 3.864 -6.291 1.00 0.00 H new ATOM 510 N LEU A 34 5.342 0.251 -2.619 1.00 0.00 N ATOM 511 CA LEU A 34 6.226 -0.791 -2.125 1.00 0.00 C ATOM 512 C LEU A 34 7.628 -0.261 -1.911 1.00 0.00 C ATOM 513 O LEU A 34 8.282 0.212 -2.839 1.00 0.00 O ATOM 514 CB LEU A 34 6.236 -1.986 -3.066 1.00 0.00 C ATOM 515 CG LEU A 34 4.875 -2.656 -3.239 1.00 0.00 C ATOM 516 CD1 LEU A 34 5.006 -3.899 -4.083 1.00 0.00 C ATOM 517 CD2 LEU A 34 4.263 -2.990 -1.889 1.00 0.00 C ATOM 0 H LEU A 34 4.913 0.059 -3.524 1.00 0.00 H new ATOM 0 HA LEU A 34 5.843 -1.123 -1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.596 -1.663 -4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.947 -2.723 -2.692 1.00 0.00 H new ATOM 0 HG LEU A 34 4.211 -1.958 -3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.028 -4.366 -4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.398 -3.633 -5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.687 -4.598 -3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.294 -3.466 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.923 -3.669 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.133 -2.074 -1.312 1.00 0.00 H new ATOM 529 N GLY A 35 8.065 -0.320 -0.665 1.00 0.00 N ATOM 530 CA GLY A 35 9.360 0.216 -0.308 1.00 0.00 C ATOM 531 C GLY A 35 9.373 1.734 -0.252 1.00 0.00 C ATOM 532 O GLY A 35 10.414 2.357 -0.388 1.00 0.00 O ATOM 0 H GLY A 35 7.544 -0.731 0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.658 -0.181 0.662 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.101 -0.123 -1.032 1.00 0.00 H new ATOM 536 N TYR A 36 8.206 2.325 -0.094 1.00 0.00 N ATOM 537 CA TYR A 36 8.073 3.761 0.080 1.00 0.00 C ATOM 538 C TYR A 36 7.809 4.117 1.540 1.00 0.00 C ATOM 539 O TYR A 36 7.580 3.239 2.374 1.00 0.00 O ATOM 540 CB TYR A 36 6.934 4.286 -0.784 1.00 0.00 C ATOM 541 CG TYR A 36 7.255 4.382 -2.258 1.00 0.00 C ATOM 542 CD1 TYR A 36 7.697 3.285 -2.981 1.00 0.00 C ATOM 543 CD2 TYR A 36 7.112 5.583 -2.922 1.00 0.00 C ATOM 544 CE1 TYR A 36 7.981 3.386 -4.327 1.00 0.00 C ATOM 545 CE2 TYR A 36 7.392 5.699 -4.263 1.00 0.00 C ATOM 546 CZ TYR A 36 7.827 4.597 -4.966 1.00 0.00 C ATOM 547 OH TYR A 36 8.099 4.699 -6.312 1.00 0.00 O ATOM 0 H TYR A 36 7.318 1.823 -0.082 1.00 0.00 H new ATOM 0 HA TYR A 36 9.011 4.225 -0.225 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.069 3.636 -0.656 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.647 5.274 -0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.821 2.335 -2.482 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.773 6.451 -2.376 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.322 2.521 -4.877 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.272 6.649 -4.763 1.00 0.00 H new ATOM 0 HH TYR A 36 7.939 5.619 -6.609 1.00 0.00 H new ATOM 557 N LYS A 37 7.831 5.412 1.840 1.00 0.00 N ATOM 558 CA LYS A 37 7.657 5.895 3.193 1.00 0.00 C ATOM 559 C LYS A 37 7.167 7.336 3.155 1.00 0.00 C ATOM 560 O LYS A 37 7.289 7.995 2.128 1.00 0.00 O ATOM 561 CB LYS A 37 9.002 5.837 3.899 1.00 0.00 C ATOM 562 CG LYS A 37 10.020 6.797 3.308 1.00 0.00 C ATOM 563 CD LYS A 37 11.297 6.819 4.129 1.00 0.00 C ATOM 564 CE LYS A 37 12.178 8.006 3.785 1.00 0.00 C ATOM 565 NZ LYS A 37 13.407 8.034 4.618 1.00 0.00 N ATOM 0 H LYS A 37 7.970 6.149 1.149 1.00 0.00 H new ATOM 0 HA LYS A 37 6.928 5.282 3.722 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.863 6.068 4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.393 4.821 3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.249 6.503 2.284 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.595 7.800 3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.045 6.850 5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.852 5.896 3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.453 7.962 2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.618 8.930 3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.985 8.858 4.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.144 8.100 5.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.953 7.163 4.460 1.00 0.00 H new ATOM 579 N LYS A 38 6.599 7.821 4.248 1.00 0.00 N ATOM 580 CA LYS A 38 6.271 9.228 4.362 1.00 0.00 C ATOM 581 C LYS A 38 7.524 10.086 4.361 1.00 0.00 C ATOM 582 O LYS A 38 8.353 10.000 5.268 1.00 0.00 O ATOM 583 CB LYS A 38 5.485 9.476 5.627 1.00 0.00 C ATOM 584 CG LYS A 38 4.124 8.833 5.590 1.00 0.00 C ATOM 585 CD LYS A 38 3.045 9.866 5.754 1.00 0.00 C ATOM 586 CE LYS A 38 2.967 10.392 7.179 1.00 0.00 C ATOM 587 NZ LYS A 38 2.627 9.319 8.151 1.00 0.00 N ATOM 0 H LYS A 38 6.357 7.261 5.065 1.00 0.00 H new ATOM 0 HA LYS A 38 5.666 9.503 3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.043 9.091 6.480 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.373 10.550 5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.990 8.307 4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.046 8.089 6.383 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.231 10.695 5.072 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.084 9.433 5.475 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.922 10.840 7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.217 11.181 7.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.255 9.746 9.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.907 8.692 7.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.481 8.767 8.372 1.00 0.00 H new ATOM 601 N GLY A 39 7.651 10.907 3.338 1.00 0.00 N ATOM 602 CA GLY A 39 8.781 11.805 3.239 1.00 0.00 C ATOM 603 C GLY A 39 8.329 13.238 3.295 1.00 0.00 C ATOM 604 O GLY A 39 8.822 14.031 4.098 1.00 0.00 O ATOM 0 H GLY A 39 6.987 10.970 2.566 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.481 11.607 4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.315 11.623 2.306 1.00 0.00 H new ATOM 608 N GLU A 40 7.362 13.555 2.453 1.00 0.00 N ATOM 609 CA GLU A 40 6.759 14.873 2.434 1.00 0.00 C ATOM 610 C GLU A 40 5.683 14.918 3.517 1.00 0.00 C ATOM 611 O GLU A 40 5.319 13.874 4.068 1.00 0.00 O ATOM 612 CB GLU A 40 6.126 15.155 1.064 1.00 0.00 C ATOM 613 CG GLU A 40 6.636 14.279 -0.076 1.00 0.00 C ATOM 614 CD GLU A 40 8.002 14.707 -0.578 1.00 0.00 C ATOM 615 OE1 GLU A 40 9.011 14.416 0.095 1.00 0.00 O ATOM 616 OE2 GLU A 40 8.069 15.346 -1.651 1.00 0.00 O ATOM 0 H GLU A 40 6.975 12.908 1.766 1.00 0.00 H new ATOM 0 HA GLU A 40 7.521 15.630 2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.047 15.026 1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.304 16.199 0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.686 13.244 0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.924 14.312 -0.901 1.00 0.00 H new ATOM 623 N GLY A 41 5.176 16.104 3.819 1.00 0.00 N ATOM 624 CA GLY A 41 4.143 16.230 4.833 1.00 0.00 C ATOM 625 C GLY A 41 2.841 15.596 4.399 1.00 0.00 C ATOM 626 O GLY A 41 2.154 16.126 3.519 1.00 0.00 O ATOM 0 H GLY A 41 5.459 16.981 3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.483 15.762 5.757 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.977 17.285 5.052 1.00 0.00 H new ATOM 630 N ASN A 42 2.500 14.463 5.022 1.00 0.00 N ATOM 631 CA ASN A 42 1.361 13.652 4.601 1.00 0.00 C ATOM 632 C ASN A 42 1.528 13.263 3.147 1.00 0.00 C ATOM 633 O ASN A 42 0.748 13.677 2.290 1.00 0.00 O ATOM 634 CB ASN A 42 0.042 14.399 4.786 1.00 0.00 C ATOM 635 CG ASN A 42 -0.517 14.272 6.192 1.00 0.00 C ATOM 636 OD1 ASN A 42 -0.212 15.076 7.071 1.00 0.00 O ATOM 637 ND2 ASN A 42 -1.351 13.265 6.409 1.00 0.00 N ATOM 0 H ASN A 42 3.004 14.088 5.826 1.00 0.00 H new ATOM 0 HA ASN A 42 1.331 12.759 5.225 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.192 15.453 4.554 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.689 14.017 4.074 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.765 13.136 7.332 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.579 12.619 5.653 1.00 0.00 H new ATOM 644 N THR A 43 2.576 12.501 2.862 1.00 0.00 N ATOM 645 CA THR A 43 2.905 12.135 1.494 1.00 0.00 C ATOM 646 C THR A 43 3.850 10.946 1.502 1.00 0.00 C ATOM 647 O THR A 43 4.315 10.533 2.563 1.00 0.00 O ATOM 648 CB THR A 43 3.574 13.297 0.744 1.00 0.00 C ATOM 649 OG1 THR A 43 3.240 14.552 1.349 1.00 0.00 O ATOM 650 CG2 THR A 43 3.131 13.335 -0.700 1.00 0.00 C ATOM 0 H THR A 43 3.213 12.124 3.564 1.00 0.00 H new ATOM 0 HA THR A 43 1.976 11.883 0.982 1.00 0.00 H new ATOM 0 HB THR A 43 4.651 13.135 0.795 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.146 15.236 0.653 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.619 14.167 -1.209 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.404 12.400 -1.189 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.050 13.466 -0.746 1.00 0.00 H new ATOM 658 N CYS A 44 4.146 10.405 0.332 1.00 0.00 N ATOM 659 CA CYS A 44 4.983 9.227 0.239 1.00 0.00 C ATOM 660 C CYS A 44 6.134 9.457 -0.721 1.00 0.00 C ATOM 661 O CYS A 44 6.028 10.250 -1.652 1.00 0.00 O ATOM 662 CB CYS A 44 4.138 8.044 -0.208 1.00 0.00 C ATOM 663 SG CYS A 44 2.680 7.786 0.829 1.00 0.00 S ATOM 0 H CYS A 44 3.818 10.765 -0.564 1.00 0.00 H new ATOM 0 HA CYS A 44 5.409 9.014 1.220 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.821 8.200 -1.239 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.750 7.142 -0.196 1.00 0.00 H new ATOM 0 HG CYS A 44 2.991 7.018 1.831 1.00 0.00 H new ATOM 669 N VAL A 45 7.233 8.776 -0.459 1.00 0.00 N ATOM 670 CA VAL A 45 8.437 8.865 -1.256 1.00 0.00 C ATOM 671 C VAL A 45 9.159 7.536 -1.221 1.00 0.00 C ATOM 672 O VAL A 45 8.826 6.669 -0.418 1.00 0.00 O ATOM 673 CB VAL A 45 9.407 9.937 -0.732 1.00 0.00 C ATOM 674 CG1 VAL A 45 8.861 11.336 -0.978 1.00 0.00 C ATOM 675 CG2 VAL A 45 9.690 9.721 0.749 1.00 0.00 C ATOM 0 H VAL A 45 7.313 8.134 0.329 1.00 0.00 H new ATOM 0 HA VAL A 45 8.132 9.134 -2.267 1.00 0.00 H new ATOM 0 HB VAL A 45 10.345 9.843 -1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.567 12.074 -0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.718 11.488 -2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.906 11.449 -0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.378 10.488 1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.758 9.782 1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.137 8.738 0.894 1.00 0.00 H new ATOM 685 N GLU A 46 10.152 7.397 -2.070 1.00 0.00 N ATOM 686 CA GLU A 46 10.935 6.178 -2.148 1.00 0.00 C ATOM 687 C GLU A 46 11.796 5.989 -0.902 1.00 0.00 C ATOM 688 O GLU A 46 12.679 6.798 -0.608 1.00 0.00 O ATOM 689 CB GLU A 46 11.813 6.231 -3.394 1.00 0.00 C ATOM 690 CG GLU A 46 11.308 5.396 -4.556 1.00 0.00 C ATOM 691 CD GLU A 46 11.941 5.819 -5.864 1.00 0.00 C ATOM 692 OE1 GLU A 46 11.447 6.790 -6.478 1.00 0.00 O ATOM 693 OE2 GLU A 46 12.935 5.195 -6.283 1.00 0.00 O ATOM 0 H GLU A 46 10.442 8.122 -2.726 1.00 0.00 H new ATOM 0 HA GLU A 46 10.256 5.328 -2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.899 7.268 -3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.816 5.895 -3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.525 4.344 -4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.225 5.490 -4.628 1.00 0.00 H new ATOM 700 N ASN A 47 11.512 4.921 -0.172 1.00 0.00 N ATOM 701 CA ASN A 47 12.298 4.534 0.992 1.00 0.00 C ATOM 702 C ASN A 47 13.317 3.500 0.585 1.00 0.00 C ATOM 703 O ASN A 47 12.996 2.349 0.298 1.00 0.00 O ATOM 704 CB ASN A 47 11.385 4.009 2.105 1.00 0.00 C ATOM 705 CG ASN A 47 12.147 3.519 3.324 1.00 0.00 C ATOM 706 OD1 ASN A 47 13.288 3.910 3.560 1.00 0.00 O ATOM 707 ND2 ASN A 47 11.504 2.685 4.125 1.00 0.00 N ATOM 0 H ASN A 47 10.730 4.297 -0.369 1.00 0.00 H new ATOM 0 HA ASN A 47 12.823 5.405 1.383 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.700 4.801 2.407 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.777 3.194 1.713 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.955 2.343 4.974 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.557 2.384 3.894 1.00 0.00 H new ATOM 714 N ASN A 48 14.556 3.929 0.570 1.00 0.00 N ATOM 715 CA ASN A 48 15.618 3.181 -0.033 1.00 0.00 C ATOM 716 C ASN A 48 16.061 2.015 0.849 1.00 0.00 C ATOM 717 O ASN A 48 17.012 1.310 0.518 1.00 0.00 O ATOM 718 CB ASN A 48 16.790 4.107 -0.277 1.00 0.00 C ATOM 719 CG ASN A 48 16.429 5.469 -0.861 1.00 0.00 C ATOM 720 OD1 ASN A 48 17.092 6.465 -0.570 1.00 0.00 O ATOM 721 ND2 ASN A 48 15.394 5.535 -1.679 1.00 0.00 N ATOM 0 H ASN A 48 14.852 4.815 0.981 1.00 0.00 H new ATOM 0 HA ASN A 48 15.256 2.765 -0.973 1.00 0.00 H new ATOM 0 HB2 ASN A 48 17.314 4.261 0.666 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.489 3.613 -0.952 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.124 6.429 -2.089 1.00 0.00 H new ATOM 0 HD22 ASN A 48 14.865 4.692 -1.901 1.00 0.00 H new ATOM 728 N ASN A 49 15.365 1.813 1.958 1.00 0.00 N ATOM 729 CA ASN A 49 15.671 0.731 2.881 1.00 0.00 C ATOM 730 C ASN A 49 14.404 0.324 3.615 1.00 0.00 C ATOM 731 O ASN A 49 14.233 0.602 4.800 1.00 0.00 O ATOM 732 CB ASN A 49 16.740 1.148 3.882 1.00 0.00 C ATOM 733 CG ASN A 49 17.303 -0.041 4.642 1.00 0.00 C ATOM 734 OD1 ASN A 49 17.391 -1.150 4.111 1.00 0.00 O ATOM 735 ND2 ASN A 49 17.672 0.175 5.892 1.00 0.00 N ATOM 0 H ASN A 49 14.575 2.392 2.242 1.00 0.00 H new ATOM 0 HA ASN A 49 16.056 -0.114 2.311 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.548 1.659 3.358 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.317 1.862 4.588 1.00 0.00 H new ATOM 0 HD21 ASN A 49 18.045 -0.591 6.453 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.584 1.107 6.296 1.00 0.00 H new ATOM 742 N PRO A 50 13.495 -0.332 2.900 1.00 0.00 N ATOM 743 CA PRO A 50 12.186 -0.685 3.405 1.00 0.00 C ATOM 744 C PRO A 50 12.203 -1.973 4.219 1.00 0.00 C ATOM 745 O PRO A 50 12.847 -2.956 3.846 1.00 0.00 O ATOM 746 CB PRO A 50 11.346 -0.856 2.132 1.00 0.00 C ATOM 747 CG PRO A 50 12.302 -0.812 0.977 1.00 0.00 C ATOM 748 CD PRO A 50 13.682 -0.809 1.542 1.00 0.00 C ATOM 0 HA PRO A 50 11.796 0.070 4.087 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.804 -1.801 2.150 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.602 -0.063 2.049 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.156 -1.673 0.325 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.133 0.079 0.372 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.124 -1.805 1.525 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.346 -0.156 0.976 1.00 0.00 H new ATOM 756 N THR A 51 11.515 -1.945 5.342 1.00 0.00 N ATOM 757 CA THR A 51 11.389 -3.100 6.204 1.00 0.00 C ATOM 758 C THR A 51 9.915 -3.455 6.343 1.00 0.00 C ATOM 759 O THR A 51 9.053 -2.581 6.221 1.00 0.00 O ATOM 760 CB THR A 51 12.011 -2.824 7.592 1.00 0.00 C ATOM 761 OG1 THR A 51 12.051 -4.027 8.369 1.00 0.00 O ATOM 762 CG2 THR A 51 11.230 -1.755 8.345 1.00 0.00 C ATOM 0 H THR A 51 11.026 -1.117 5.683 1.00 0.00 H new ATOM 0 HA THR A 51 11.928 -3.937 5.761 1.00 0.00 H new ATOM 0 HB THR A 51 13.027 -2.462 7.433 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.448 -3.838 9.245 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.692 -1.584 9.317 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.236 -0.828 7.772 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.201 -2.087 8.486 1.00 0.00 H new ATOM 770 N CYS A 52 9.611 -4.723 6.568 1.00 0.00 N ATOM 771 CA CYS A 52 8.245 -5.125 6.788 1.00 0.00 C ATOM 772 C CYS A 52 7.885 -4.841 8.240 1.00 0.00 C ATOM 773 O CYS A 52 8.733 -4.355 8.989 1.00 0.00 O ATOM 774 CB CYS A 52 8.084 -6.610 6.479 1.00 0.00 C ATOM 775 SG CYS A 52 8.923 -7.708 7.644 1.00 0.00 S ATOM 0 H CYS A 52 10.292 -5.482 6.602 1.00 0.00 H new ATOM 0 HA CYS A 52 7.579 -4.567 6.130 1.00 0.00 H new ATOM 0 HB2 CYS A 52 7.022 -6.854 6.469 1.00 0.00 H new ATOM 0 HB3 CYS A 52 8.465 -6.804 5.476 1.00 0.00 H new ATOM 0 HG CYS A 52 8.318 -7.665 8.794 1.00 0.00 H new ATOM 781 N ASP A 53 6.633 -5.113 8.621 1.00 0.00 N ATOM 782 CA ASP A 53 6.126 -4.802 9.969 1.00 0.00 C ATOM 783 C ASP A 53 5.853 -3.310 10.118 1.00 0.00 C ATOM 784 O ASP A 53 4.878 -2.903 10.746 1.00 0.00 O ATOM 785 CB ASP A 53 7.093 -5.274 11.065 1.00 0.00 C ATOM 786 CG ASP A 53 7.022 -6.771 11.296 1.00 0.00 C ATOM 787 OD1 ASP A 53 7.394 -7.541 10.381 1.00 0.00 O ATOM 788 OD2 ASP A 53 6.588 -7.186 12.392 1.00 0.00 O ATOM 0 H ASP A 53 5.943 -5.552 8.011 1.00 0.00 H new ATOM 0 HA ASP A 53 5.189 -5.345 10.091 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.111 -5.000 10.789 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.864 -4.755 11.996 1.00 0.00 H new ATOM 793 N ILE A 54 6.715 -2.505 9.523 1.00 0.00 N ATOM 794 CA ILE A 54 6.578 -1.062 9.547 1.00 0.00 C ATOM 795 C ILE A 54 6.054 -0.593 8.217 1.00 0.00 C ATOM 796 O ILE A 54 6.762 -0.654 7.207 1.00 0.00 O ATOM 797 CB ILE A 54 7.926 -0.397 9.860 1.00 0.00 C ATOM 798 CG1 ILE A 54 8.444 -0.924 11.199 1.00 0.00 C ATOM 799 CG2 ILE A 54 7.788 1.119 9.879 1.00 0.00 C ATOM 800 CD1 ILE A 54 9.853 -0.497 11.529 1.00 0.00 C ATOM 0 H ILE A 54 7.531 -2.836 9.009 1.00 0.00 H new ATOM 0 HA ILE A 54 5.875 -0.780 10.331 1.00 0.00 H new ATOM 0 HB ILE A 54 8.645 -0.646 9.079 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.778 -0.584 11.992 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.399 -2.013 11.190 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.755 1.570 10.103 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.443 1.465 8.905 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.067 1.409 10.643 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.143 -0.913 12.494 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.533 -0.860 10.758 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.903 0.591 11.573 1.00 0.00 H new ATOM 812 N ASN A 55 4.784 -0.187 8.211 1.00 0.00 N ATOM 813 CA ASN A 55 4.101 0.193 6.982 1.00 0.00 C ATOM 814 C ASN A 55 3.936 -1.047 6.116 1.00 0.00 C ATOM 815 O ASN A 55 3.608 -0.969 4.935 1.00 0.00 O ATOM 816 CB ASN A 55 4.912 1.272 6.260 1.00 0.00 C ATOM 817 CG ASN A 55 4.140 1.994 5.176 1.00 0.00 C ATOM 818 OD1 ASN A 55 2.923 2.160 5.259 1.00 0.00 O ATOM 819 ND2 ASN A 55 4.853 2.443 4.156 1.00 0.00 N ATOM 0 H ASN A 55 4.208 -0.114 9.050 1.00 0.00 H new ATOM 0 HA ASN A 55 3.115 0.604 7.200 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.261 2.001 6.991 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.797 0.814 5.819 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.396 2.949 3.398 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.860 2.283 4.128 1.00 0.00 H new ATOM 826 N ASN A 56 4.188 -2.196 6.745 1.00 0.00 N ATOM 827 CA ASN A 56 4.177 -3.500 6.091 1.00 0.00 C ATOM 828 C ASN A 56 5.164 -3.531 4.919 1.00 0.00 C ATOM 829 O ASN A 56 5.062 -4.368 4.039 1.00 0.00 O ATOM 830 CB ASN A 56 2.764 -3.854 5.601 1.00 0.00 C ATOM 831 CG ASN A 56 2.521 -5.355 5.544 1.00 0.00 C ATOM 832 OD1 ASN A 56 2.883 -6.082 6.465 1.00 0.00 O ATOM 833 ND2 ASN A 56 1.937 -5.830 4.454 1.00 0.00 N ATOM 0 H ASN A 56 4.409 -2.244 7.740 1.00 0.00 H new ATOM 0 HA ASN A 56 4.487 -4.244 6.825 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.029 -3.396 6.263 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.610 -3.427 4.610 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.774 -6.832 4.358 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.650 -5.193 3.710 1.00 0.00 H new ATOM 840 N GLY A 57 6.129 -2.619 4.917 1.00 0.00 N ATOM 841 CA GLY A 57 7.058 -2.532 3.810 1.00 0.00 C ATOM 842 C GLY A 57 6.497 -1.725 2.662 1.00 0.00 C ATOM 843 O GLY A 57 6.930 -1.862 1.518 1.00 0.00 O ATOM 0 H GLY A 57 6.283 -1.940 5.662 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.988 -2.078 4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.303 -3.536 3.462 1.00 0.00 H new ATOM 847 N GLY A 58 5.535 -0.874 2.977 1.00 0.00 N ATOM 848 CA GLY A 58 4.814 -0.163 1.954 1.00 0.00 C ATOM 849 C GLY A 58 3.748 -1.055 1.381 1.00 0.00 C ATOM 850 O GLY A 58 3.302 -0.881 0.257 1.00 0.00 O ATOM 0 H GLY A 58 5.242 -0.664 3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.364 0.738 2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.498 0.156 1.167 1.00 0.00 H new ATOM 854 N CYS A 59 3.371 -2.037 2.178 1.00 0.00 N ATOM 855 CA CYS A 59 2.442 -3.073 1.762 1.00 0.00 C ATOM 856 C CYS A 59 1.114 -3.010 2.524 1.00 0.00 C ATOM 857 O CYS A 59 0.924 -2.176 3.411 1.00 0.00 O ATOM 858 CB CYS A 59 3.110 -4.409 1.964 1.00 0.00 C ATOM 859 SG CYS A 59 4.618 -4.607 0.993 1.00 0.00 S ATOM 0 H CYS A 59 3.702 -2.140 3.137 1.00 0.00 H new ATOM 0 HA CYS A 59 2.194 -2.922 0.711 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.348 -4.533 3.021 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.410 -5.201 1.700 1.00 0.00 H new ATOM 0 HG CYS A 59 4.592 -5.753 0.380 1.00 0.00 H new ATOM 865 N ASP A 60 0.201 -3.910 2.164 1.00 0.00 N ATOM 866 CA ASP A 60 -1.142 -3.962 2.752 1.00 0.00 C ATOM 867 C ASP A 60 -1.189 -5.039 3.826 1.00 0.00 C ATOM 868 O ASP A 60 -0.619 -6.103 3.653 1.00 0.00 O ATOM 869 CB ASP A 60 -2.168 -4.312 1.660 1.00 0.00 C ATOM 870 CG ASP A 60 -3.594 -4.476 2.178 1.00 0.00 C ATOM 871 OD1 ASP A 60 -3.873 -5.478 2.847 1.00 0.00 O ATOM 872 OD2 ASP A 60 -4.450 -3.608 1.899 1.00 0.00 O ATOM 0 H ASP A 60 0.369 -4.625 1.456 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.377 -2.991 3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.156 -3.530 0.901 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.861 -5.237 1.171 1.00 0.00 H new ATOM 877 N PRO A 61 -1.855 -4.753 4.963 1.00 0.00 N ATOM 878 CA PRO A 61 -1.936 -5.673 6.101 1.00 0.00 C ATOM 879 C PRO A 61 -2.444 -7.075 5.745 1.00 0.00 C ATOM 880 O PRO A 61 -2.211 -8.028 6.493 1.00 0.00 O ATOM 881 CB PRO A 61 -2.935 -4.994 7.034 1.00 0.00 C ATOM 882 CG PRO A 61 -2.892 -3.559 6.689 1.00 0.00 C ATOM 883 CD PRO A 61 -2.558 -3.487 5.237 1.00 0.00 C ATOM 0 HA PRO A 61 -0.946 -5.841 6.524 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.937 -5.400 6.897 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.667 -5.154 8.078 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.851 -3.082 6.891 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.144 -3.038 7.286 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.456 -3.390 4.626 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.928 -2.626 5.016 1.00 0.00 H new ATOM 891 N THR A 62 -3.168 -7.198 4.638 1.00 0.00 N ATOM 892 CA THR A 62 -3.635 -8.496 4.180 1.00 0.00 C ATOM 893 C THR A 62 -2.618 -9.101 3.219 1.00 0.00 C ATOM 894 O THR A 62 -2.550 -10.325 3.048 1.00 0.00 O ATOM 895 CB THR A 62 -5.021 -8.416 3.494 1.00 0.00 C ATOM 896 OG1 THR A 62 -4.936 -7.695 2.259 1.00 0.00 O ATOM 897 CG2 THR A 62 -6.039 -7.741 4.402 1.00 0.00 C ATOM 0 H THR A 62 -3.442 -6.415 4.044 1.00 0.00 H new ATOM 0 HA THR A 62 -3.743 -9.131 5.059 1.00 0.00 H new ATOM 0 HB THR A 62 -5.346 -9.436 3.292 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.855 -6.736 2.445 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.004 -7.697 3.897 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.138 -8.312 5.325 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.705 -6.730 4.635 1.00 0.00 H new ATOM 905 N ALA A 63 -1.822 -8.232 2.601 1.00 0.00 N ATOM 906 CA ALA A 63 -0.749 -8.654 1.731 1.00 0.00 C ATOM 907 C ALA A 63 0.441 -9.151 2.550 1.00 0.00 C ATOM 908 O ALA A 63 0.893 -8.488 3.487 1.00 0.00 O ATOM 909 CB ALA A 63 -0.349 -7.500 0.821 1.00 0.00 C ATOM 0 H ALA A 63 -1.909 -7.220 2.695 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.091 -9.483 1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.461 -7.818 0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.206 -7.197 0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.015 -6.658 1.427 1.00 0.00 H new ATOM 915 N SER A 64 0.926 -10.334 2.214 1.00 0.00 N ATOM 916 CA SER A 64 2.030 -10.945 2.914 1.00 0.00 C ATOM 917 C SER A 64 3.360 -10.306 2.514 1.00 0.00 C ATOM 918 O SER A 64 3.902 -10.596 1.446 1.00 0.00 O ATOM 919 CB SER A 64 2.017 -12.436 2.603 1.00 0.00 C ATOM 920 OG SER A 64 0.817 -13.031 3.078 1.00 0.00 O ATOM 0 H SER A 64 0.560 -10.895 1.445 1.00 0.00 H new ATOM 0 HA SER A 64 1.921 -10.790 3.987 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.106 -12.590 1.528 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.878 -12.918 3.067 1.00 0.00 H new ATOM 0 HG SER A 64 0.822 -13.989 2.870 1.00 0.00 H new ATOM 926 N CYS A 65 3.866 -9.425 3.374 1.00 0.00 N ATOM 927 CA CYS A 65 5.102 -8.702 3.109 1.00 0.00 C ATOM 928 C CYS A 65 6.342 -9.561 3.312 1.00 0.00 C ATOM 929 O CYS A 65 6.409 -10.387 4.224 1.00 0.00 O ATOM 930 CB CYS A 65 5.198 -7.492 4.029 1.00 0.00 C ATOM 931 SG CYS A 65 5.121 -7.914 5.785 1.00 0.00 S ATOM 0 H CYS A 65 3.432 -9.195 4.268 1.00 0.00 H new ATOM 0 HA CYS A 65 5.069 -8.399 2.063 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.133 -6.967 3.830 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.388 -6.801 3.794 1.00 0.00 H new ATOM 0 HG CYS A 65 4.302 -7.106 6.390 1.00 0.00 H new ATOM 937 N GLN A 66 7.319 -9.346 2.448 1.00 0.00 N ATOM 938 CA GLN A 66 8.641 -9.917 2.609 1.00 0.00 C ATOM 939 C GLN A 66 9.669 -8.794 2.575 1.00 0.00 C ATOM 940 O GLN A 66 9.819 -8.126 1.552 1.00 0.00 O ATOM 941 CB GLN A 66 8.945 -10.911 1.486 1.00 0.00 C ATOM 942 CG GLN A 66 7.811 -11.878 1.192 1.00 0.00 C ATOM 943 CD GLN A 66 8.198 -12.969 0.204 1.00 0.00 C ATOM 944 OE1 GLN A 66 7.367 -13.446 -0.566 1.00 0.00 O ATOM 945 NE2 GLN A 66 9.459 -13.378 0.218 1.00 0.00 N ATOM 0 H GLN A 66 7.215 -8.769 1.614 1.00 0.00 H new ATOM 0 HA GLN A 66 8.683 -10.446 3.561 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.180 -10.356 0.578 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.835 -11.481 1.751 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.484 -12.339 2.124 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.961 -11.322 0.796 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.123 -12.961 0.870 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.765 -14.110 -0.423 1.00 0.00 H new ATOM 954 N ASN A 67 10.352 -8.564 3.686 1.00 0.00 N ATOM 955 CA ASN A 67 11.368 -7.552 3.757 1.00 0.00 C ATOM 956 C ASN A 67 12.653 -8.024 3.080 1.00 0.00 C ATOM 957 O ASN A 67 13.115 -9.143 3.314 1.00 0.00 O ATOM 958 CB ASN A 67 11.621 -7.191 5.216 1.00 0.00 C ATOM 959 CG ASN A 67 11.957 -8.374 6.110 1.00 0.00 C ATOM 960 OD1 ASN A 67 11.508 -9.500 5.893 1.00 0.00 O ATOM 961 ND2 ASN A 67 12.747 -8.115 7.136 1.00 0.00 N ATOM 0 H ASN A 67 10.210 -9.078 4.556 1.00 0.00 H new ATOM 0 HA ASN A 67 11.025 -6.664 3.226 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.440 -6.473 5.263 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.736 -6.692 5.612 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.005 -8.861 7.782 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.099 -7.169 7.283 1.00 0.00 H new ATOM 968 N ALA A 68 13.210 -7.176 2.229 1.00 0.00 N ATOM 969 CA ALA A 68 14.409 -7.512 1.475 1.00 0.00 C ATOM 970 C ALA A 68 15.124 -6.250 1.032 1.00 0.00 C ATOM 971 O ALA A 68 14.562 -5.158 1.093 1.00 0.00 O ATOM 972 CB ALA A 68 14.056 -8.348 0.254 1.00 0.00 C ATOM 0 H ALA A 68 12.847 -6.241 2.042 1.00 0.00 H new ATOM 0 HA ALA A 68 15.067 -8.090 2.124 1.00 0.00 H new ATOM 0 HB1 ALA A 68 14.965 -8.589 -0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.569 -9.270 0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.380 -7.785 -0.390 1.00 0.00 H new ATOM 978 N GLU A 69 16.366 -6.403 0.612 1.00 0.00 N ATOM 979 CA GLU A 69 17.115 -5.311 0.026 1.00 0.00 C ATOM 980 C GLU A 69 17.357 -5.588 -1.451 1.00 0.00 C ATOM 981 O GLU A 69 17.727 -6.695 -1.835 1.00 0.00 O ATOM 982 CB GLU A 69 18.445 -5.118 0.747 1.00 0.00 C ATOM 983 CG GLU A 69 19.316 -4.038 0.132 1.00 0.00 C ATOM 984 CD GLU A 69 20.618 -3.836 0.872 1.00 0.00 C ATOM 985 OE1 GLU A 69 21.604 -4.535 0.552 1.00 0.00 O ATOM 986 OE2 GLU A 69 20.669 -2.961 1.759 1.00 0.00 O ATOM 0 H GLU A 69 16.880 -7.282 0.667 1.00 0.00 H new ATOM 0 HA GLU A 69 16.534 -4.395 0.131 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.251 -4.867 1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 69 18.992 -6.061 0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 69 19.530 -4.298 -0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 69 18.764 -3.098 0.117 1.00 0.00 H new ATOM 993 N SER A 70 17.149 -4.571 -2.265 1.00 0.00 N ATOM 994 CA SER A 70 17.267 -4.683 -3.708 1.00 0.00 C ATOM 995 C SER A 70 17.716 -3.349 -4.297 1.00 0.00 C ATOM 996 O SER A 70 17.764 -2.344 -3.578 1.00 0.00 O ATOM 997 CB SER A 70 15.920 -5.104 -4.304 1.00 0.00 C ATOM 998 OG SER A 70 15.594 -6.441 -3.961 1.00 0.00 O ATOM 0 H SER A 70 16.892 -3.638 -1.943 1.00 0.00 H new ATOM 0 HA SER A 70 18.012 -5.440 -3.953 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.138 -4.435 -3.946 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.954 -5.004 -5.389 1.00 0.00 H new ATOM 0 HG SER A 70 14.645 -6.604 -4.145 1.00 0.00 H new ATOM 1004 N THR A 71 18.032 -3.330 -5.590 1.00 0.00 N ATOM 1005 CA THR A 71 18.461 -2.098 -6.245 1.00 0.00 C ATOM 1006 C THR A 71 17.275 -1.143 -6.400 1.00 0.00 C ATOM 1007 O THR A 71 17.435 0.078 -6.422 1.00 0.00 O ATOM 1008 CB THR A 71 19.119 -2.376 -7.623 1.00 0.00 C ATOM 1009 OG1 THR A 71 19.690 -1.174 -8.160 1.00 0.00 O ATOM 1010 CG2 THR A 71 18.120 -2.948 -8.620 1.00 0.00 C ATOM 0 H THR A 71 17.999 -4.147 -6.200 1.00 0.00 H new ATOM 0 HA THR A 71 19.216 -1.631 -5.612 1.00 0.00 H new ATOM 0 HB THR A 71 19.904 -3.114 -7.461 1.00 0.00 H new ATOM 0 HG1 THR A 71 20.102 -1.367 -9.028 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.619 -3.129 -9.572 1.00 0.00 H new ATOM 0 HG22 THR A 71 17.720 -3.886 -8.236 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.305 -2.239 -8.766 1.00 0.00 H new ATOM 1018 N GLU A 72 16.079 -1.716 -6.468 1.00 0.00 N ATOM 1019 CA GLU A 72 14.848 -0.945 -6.533 1.00 0.00 C ATOM 1020 C GLU A 72 14.215 -0.896 -5.163 1.00 0.00 C ATOM 1021 O GLU A 72 14.180 -1.907 -4.483 1.00 0.00 O ATOM 1022 CB GLU A 72 13.857 -1.609 -7.473 1.00 0.00 C ATOM 1023 CG GLU A 72 14.271 -1.600 -8.924 1.00 0.00 C ATOM 1024 CD GLU A 72 14.343 -0.204 -9.495 1.00 0.00 C ATOM 1025 OE1 GLU A 72 13.275 0.403 -9.716 1.00 0.00 O ATOM 1026 OE2 GLU A 72 15.464 0.294 -9.720 1.00 0.00 O ATOM 0 H GLU A 72 15.938 -2.726 -6.479 1.00 0.00 H new ATOM 0 HA GLU A 72 15.089 0.056 -6.890 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.710 -2.642 -7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.894 -1.107 -7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.244 -2.081 -9.024 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.562 -2.191 -9.505 1.00 0.00 H new ATOM 1033 N ASN A 73 13.693 0.258 -4.771 1.00 0.00 N ATOM 1034 CA ASN A 73 12.993 0.379 -3.498 1.00 0.00 C ATOM 1035 C ASN A 73 11.728 -0.462 -3.536 1.00 0.00 C ATOM 1036 O ASN A 73 11.360 -1.107 -2.556 1.00 0.00 O ATOM 1037 CB ASN A 73 12.597 1.835 -3.221 1.00 0.00 C ATOM 1038 CG ASN A 73 13.754 2.791 -2.952 1.00 0.00 C ATOM 1039 OD1 ASN A 73 13.541 3.855 -2.399 1.00 0.00 O ATOM 1040 ND2 ASN A 73 14.983 2.417 -3.286 1.00 0.00 N ATOM 0 H ASN A 73 13.740 1.121 -5.313 1.00 0.00 H new ATOM 0 HA ASN A 73 13.663 0.036 -2.710 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.032 2.208 -4.075 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.926 1.854 -2.362 1.00 0.00 H new ATOM 0 HD21 ASN A 73 15.775 3.026 -3.080 1.00 0.00 H new ATOM 0 HD22 ASN A 73 15.135 1.521 -3.749 1.00 0.00 H new ATOM 1047 N SER A 74 11.093 -0.471 -4.697 1.00 0.00 N ATOM 1048 CA SER A 74 9.801 -1.119 -4.868 1.00 0.00 C ATOM 1049 C SER A 74 9.949 -2.606 -5.146 1.00 0.00 C ATOM 1050 O SER A 74 8.974 -3.354 -5.114 1.00 0.00 O ATOM 1051 CB SER A 74 9.029 -0.449 -6.003 1.00 0.00 C ATOM 1052 OG SER A 74 8.842 0.927 -5.736 1.00 0.00 O ATOM 0 H SER A 74 11.455 -0.032 -5.543 1.00 0.00 H new ATOM 0 HA SER A 74 9.248 -1.010 -3.935 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.571 -0.572 -6.941 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.061 -0.935 -6.128 1.00 0.00 H new ATOM 0 HG SER A 74 8.017 1.235 -6.167 1.00 0.00 H new ATOM 1058 N LYS A 75 11.166 -3.035 -5.422 1.00 0.00 N ATOM 1059 CA LYS A 75 11.412 -4.436 -5.702 1.00 0.00 C ATOM 1060 C LYS A 75 12.217 -5.058 -4.571 1.00 0.00 C ATOM 1061 O LYS A 75 12.902 -6.066 -4.755 1.00 0.00 O ATOM 1062 CB LYS A 75 12.121 -4.603 -7.051 1.00 0.00 C ATOM 1063 CG LYS A 75 11.448 -3.826 -8.176 1.00 0.00 C ATOM 1064 CD LYS A 75 11.994 -4.188 -9.543 1.00 0.00 C ATOM 1065 CE LYS A 75 11.556 -5.574 -9.977 1.00 0.00 C ATOM 1066 NZ LYS A 75 11.897 -5.837 -11.398 1.00 0.00 N ATOM 0 H LYS A 75 11.993 -2.439 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 75 10.457 -4.957 -5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.155 -4.272 -6.956 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.148 -5.661 -7.313 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.375 -4.019 -8.155 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.583 -2.758 -8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.656 -3.454 -10.275 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.083 -4.141 -9.523 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.033 -6.322 -9.344 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.480 -5.677 -9.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.583 -6.793 -11.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.421 -5.139 -12.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.926 -5.764 -11.527 1.00 0.00 H new ATOM 1080 N LYS A 76 12.149 -4.428 -3.401 1.00 0.00 N ATOM 1081 CA LYS A 76 12.744 -4.987 -2.195 1.00 0.00 C ATOM 1082 C LYS A 76 11.687 -5.720 -1.409 1.00 0.00 C ATOM 1083 O LYS A 76 11.819 -6.901 -1.120 1.00 0.00 O ATOM 1084 CB LYS A 76 13.338 -3.904 -1.304 1.00 0.00 C ATOM 1085 CG LYS A 76 14.388 -3.066 -1.977 1.00 0.00 C ATOM 1086 CD LYS A 76 15.078 -2.161 -1.006 1.00 0.00 C ATOM 1087 CE LYS A 76 15.422 -0.836 -1.660 1.00 0.00 C ATOM 1088 NZ LYS A 76 16.876 -0.531 -1.579 1.00 0.00 N ATOM 0 H LYS A 76 11.687 -3.529 -3.265 1.00 0.00 H new ATOM 0 HA LYS A 76 13.542 -5.662 -2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.536 -3.253 -0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.773 -4.372 -0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.122 -3.716 -2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.928 -2.471 -2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.436 -1.990 -0.142 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.987 -2.638 -0.639 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.115 -0.858 -2.706 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.857 -0.038 -1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.133 0.136 -2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.091 -0.107 -0.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.422 -1.409 -1.692 1.00 0.00 H new ATOM 1102 N ILE A 77 10.633 -5.004 -1.057 1.00 0.00 N ATOM 1103 CA ILE A 77 9.551 -5.607 -0.319 1.00 0.00 C ATOM 1104 C ILE A 77 8.625 -6.325 -1.277 1.00 0.00 C ATOM 1105 O ILE A 77 8.230 -5.787 -2.312 1.00 0.00 O ATOM 1106 CB ILE A 77 8.733 -4.588 0.494 1.00 0.00 C ATOM 1107 CG1 ILE A 77 9.653 -3.712 1.330 1.00 0.00 C ATOM 1108 CG2 ILE A 77 7.739 -5.289 1.407 1.00 0.00 C ATOM 1109 CD1 ILE A 77 10.444 -4.495 2.351 1.00 0.00 C ATOM 0 H ILE A 77 10.509 -4.014 -1.270 1.00 0.00 H new ATOM 0 HA ILE A 77 10.002 -6.303 0.389 1.00 0.00 H new ATOM 0 HB ILE A 77 8.184 -3.966 -0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.342 -3.185 0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.059 -2.954 1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.175 -4.545 1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.053 -5.887 0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.276 -5.937 2.100 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.082 -3.815 2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.759 -5.001 3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 77 11.063 -5.235 1.843 1.00 0.00 H new ATOM 1121 N ILE A 78 8.290 -7.533 -0.922 1.00 0.00 N ATOM 1122 CA ILE A 78 7.410 -8.355 -1.735 1.00 0.00 C ATOM 1123 C ILE A 78 6.066 -8.484 -1.056 1.00 0.00 C ATOM 1124 O ILE A 78 6.003 -8.748 0.142 1.00 0.00 O ATOM 1125 CB ILE A 78 7.983 -9.773 -1.992 1.00 0.00 C ATOM 1126 CG1 ILE A 78 9.208 -9.707 -2.898 1.00 0.00 C ATOM 1127 CG2 ILE A 78 6.932 -10.688 -2.605 1.00 0.00 C ATOM 1128 CD1 ILE A 78 10.483 -9.383 -2.165 1.00 0.00 C ATOM 0 H ILE A 78 8.613 -7.983 -0.066 1.00 0.00 H new ATOM 0 HA ILE A 78 7.312 -7.858 -2.700 1.00 0.00 H new ATOM 0 HB ILE A 78 8.281 -10.186 -1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.325 -10.663 -3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.040 -8.954 -3.668 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.363 -11.675 -2.774 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.084 -10.774 -1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.596 -10.271 -3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.312 -9.353 -2.872 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.386 -8.413 -1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.675 -10.149 -1.413 1.00 0.00 H new ATOM 1140 N CYS A 79 4.998 -8.270 -1.798 1.00 0.00 N ATOM 1141 CA CYS A 79 3.678 -8.510 -1.258 1.00 0.00 C ATOM 1142 C CYS A 79 2.779 -9.212 -2.240 1.00 0.00 C ATOM 1143 O CYS A 79 2.895 -9.050 -3.454 1.00 0.00 O ATOM 1144 CB CYS A 79 3.008 -7.234 -0.759 1.00 0.00 C ATOM 1145 SG CYS A 79 2.946 -7.197 1.036 1.00 0.00 S ATOM 0 H CYS A 79 5.017 -7.936 -2.761 1.00 0.00 H new ATOM 0 HA CYS A 79 3.830 -9.167 -0.402 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.555 -6.365 -1.125 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.998 -7.168 -1.163 1.00 0.00 H new ATOM 0 HG CYS A 79 3.957 -6.518 1.491 1.00 0.00 H new ATOM 1151 N THR A 80 1.908 -10.023 -1.686 1.00 0.00 N ATOM 1152 CA THR A 80 0.871 -10.666 -2.442 1.00 0.00 C ATOM 1153 C THR A 80 -0.423 -10.565 -1.665 1.00 0.00 C ATOM 1154 O THR A 80 -0.414 -10.543 -0.432 1.00 0.00 O ATOM 1155 CB THR A 80 1.173 -12.160 -2.685 1.00 0.00 C ATOM 1156 OG1 THR A 80 0.433 -12.636 -3.817 1.00 0.00 O ATOM 1157 CG2 THR A 80 0.791 -12.981 -1.467 1.00 0.00 C ATOM 0 H THR A 80 1.903 -10.253 -0.692 1.00 0.00 H new ATOM 0 HA THR A 80 0.802 -10.169 -3.410 1.00 0.00 H new ATOM 0 HB THR A 80 2.241 -12.265 -2.874 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.633 -13.584 -3.963 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.010 -14.032 -1.654 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.362 -12.639 -0.604 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.274 -12.862 -1.267 1.00 0.00 H new ATOM 1165 N CYS A 81 -1.519 -10.494 -2.368 1.00 0.00 N ATOM 1166 CA CYS A 81 -2.793 -10.710 -1.751 1.00 0.00 C ATOM 1167 C CYS A 81 -3.270 -12.079 -2.173 1.00 0.00 C ATOM 1168 O CYS A 81 -3.081 -12.495 -3.318 1.00 0.00 O ATOM 1169 CB CYS A 81 -3.787 -9.613 -2.106 1.00 0.00 C ATOM 1170 SG CYS A 81 -3.340 -7.994 -1.432 1.00 0.00 S ATOM 0 H CYS A 81 -1.554 -10.289 -3.366 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.702 -10.669 -0.666 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.863 -9.539 -3.191 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.773 -9.893 -1.736 1.00 0.00 H new ATOM 0 HG CYS A 81 -4.036 -7.764 -0.358 1.00 0.00 H new ATOM 1176 N LYS A 82 -3.846 -12.780 -1.235 1.00 0.00 N ATOM 1177 CA LYS A 82 -4.065 -14.198 -1.365 1.00 0.00 C ATOM 1178 C LYS A 82 -5.526 -14.505 -1.658 1.00 0.00 C ATOM 1179 O LYS A 82 -6.321 -13.598 -1.892 1.00 0.00 O ATOM 1180 CB LYS A 82 -3.574 -14.892 -0.097 1.00 0.00 C ATOM 1181 CG LYS A 82 -2.118 -14.556 0.225 1.00 0.00 C ATOM 1182 CD LYS A 82 -1.995 -13.462 1.274 1.00 0.00 C ATOM 1183 CE LYS A 82 -2.543 -13.911 2.619 1.00 0.00 C ATOM 1184 NZ LYS A 82 -2.211 -12.946 3.700 1.00 0.00 N ATOM 0 H LYS A 82 -4.178 -12.384 -0.356 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.498 -14.580 -2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.206 -14.599 0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.678 -15.971 -0.213 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.610 -15.453 0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.610 -14.241 -0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.948 -13.178 1.383 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.532 -12.575 0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.625 -14.023 2.552 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.136 -14.891 2.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.587 -13.295 4.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.178 -12.845 3.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.635 -12.022 3.483 1.00 0.00 H new ATOM 1198 N GLU A 83 -5.865 -15.782 -1.671 1.00 0.00 N ATOM 1199 CA GLU A 83 -7.204 -16.220 -2.052 1.00 0.00 C ATOM 1200 C GLU A 83 -8.316 -15.529 -1.242 1.00 0.00 C ATOM 1201 O GLU A 83 -9.285 -15.052 -1.830 1.00 0.00 O ATOM 1202 CB GLU A 83 -7.310 -17.743 -1.936 1.00 0.00 C ATOM 1203 CG GLU A 83 -8.394 -18.345 -2.810 1.00 0.00 C ATOM 1204 CD GLU A 83 -8.184 -18.023 -4.275 1.00 0.00 C ATOM 1205 OE1 GLU A 83 -7.318 -18.658 -4.911 1.00 0.00 O ATOM 1206 OE2 GLU A 83 -8.871 -17.118 -4.791 1.00 0.00 O ATOM 0 H GLU A 83 -5.230 -16.541 -1.421 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.356 -15.924 -3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.351 -18.187 -2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.505 -18.007 -0.897 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.410 -19.426 -2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.367 -17.970 -2.492 1.00 0.00 H new ATOM 1213 N PRO A 84 -8.207 -15.442 0.103 1.00 0.00 N ATOM 1214 CA PRO A 84 -9.228 -14.775 0.929 1.00 0.00 C ATOM 1215 C PRO A 84 -9.278 -13.256 0.741 1.00 0.00 C ATOM 1216 O PRO A 84 -10.018 -12.563 1.437 1.00 0.00 O ATOM 1217 CB PRO A 84 -8.791 -15.094 2.359 1.00 0.00 C ATOM 1218 CG PRO A 84 -7.334 -15.358 2.263 1.00 0.00 C ATOM 1219 CD PRO A 84 -7.126 -16.010 0.934 1.00 0.00 C ATOM 0 HA PRO A 84 -10.226 -15.123 0.663 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -8.998 -14.261 3.031 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.324 -15.960 2.751 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -6.763 -14.433 2.338 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.000 -16.006 3.073 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -6.142 -15.783 0.524 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.200 -17.095 1.003 1.00 0.00 H new ATOM 1227 N THR A 85 -8.504 -12.734 -0.198 1.00 0.00 N ATOM 1228 CA THR A 85 -8.410 -11.292 -0.364 1.00 0.00 C ATOM 1229 C THR A 85 -8.659 -10.863 -1.813 1.00 0.00 C ATOM 1230 O THR A 85 -7.820 -11.070 -2.686 1.00 0.00 O ATOM 1231 CB THR A 85 -7.045 -10.757 0.134 1.00 0.00 C ATOM 1232 OG1 THR A 85 -5.983 -11.551 -0.378 1.00 0.00 O ATOM 1233 CG2 THR A 85 -6.979 -10.755 1.652 1.00 0.00 C ATOM 0 H THR A 85 -7.939 -13.279 -0.849 1.00 0.00 H new ATOM 0 HA THR A 85 -9.197 -10.852 0.249 1.00 0.00 H new ATOM 0 HB THR A 85 -6.942 -9.733 -0.226 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.274 -11.995 -1.202 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.009 -10.375 1.974 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.769 -10.118 2.050 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.111 -11.771 2.023 1.00 0.00 H new ATOM 1241 N PRO A 86 -9.850 -10.269 -2.062 1.00 0.00 N ATOM 1242 CA PRO A 86 -10.292 -9.772 -3.380 1.00 0.00 C ATOM 1243 C PRO A 86 -9.219 -9.144 -4.307 1.00 0.00 C ATOM 1244 O PRO A 86 -9.256 -9.395 -5.512 1.00 0.00 O ATOM 1245 CB PRO A 86 -11.350 -8.745 -2.972 1.00 0.00 C ATOM 1246 CG PRO A 86 -12.030 -9.399 -1.829 1.00 0.00 C ATOM 1247 CD PRO A 86 -10.935 -10.083 -1.053 1.00 0.00 C ATOM 0 HA PRO A 86 -10.627 -10.598 -4.007 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.900 -7.795 -2.683 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.043 -8.535 -3.787 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.552 -8.668 -1.211 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.775 -10.116 -2.173 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.600 -9.475 -0.212 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.269 -11.036 -0.644 1.00 0.00 H new ATOM 1255 N ASN A 87 -8.276 -8.335 -3.799 1.00 0.00 N ATOM 1256 CA ASN A 87 -7.324 -7.658 -4.707 1.00 0.00 C ATOM 1257 C ASN A 87 -6.014 -7.264 -4.035 1.00 0.00 C ATOM 1258 O ASN A 87 -5.915 -7.249 -2.816 1.00 0.00 O ATOM 1259 CB ASN A 87 -7.949 -6.404 -5.316 1.00 0.00 C ATOM 1260 CG ASN A 87 -7.114 -5.805 -6.433 1.00 0.00 C ATOM 1261 OD1 ASN A 87 -6.578 -6.515 -7.281 1.00 0.00 O ATOM 1262 ND2 ASN A 87 -6.954 -4.493 -6.398 1.00 0.00 N ATOM 0 H ASN A 87 -8.150 -8.136 -2.807 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.096 -8.391 -5.481 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.939 -6.649 -5.702 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.088 -5.658 -4.534 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.367 -4.032 -7.093 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.418 -3.942 -5.676 1.00 0.00 H new ATOM 1269 N ALA A 88 -5.023 -6.946 -4.875 1.00 0.00 N ATOM 1270 CA ALA A 88 -3.756 -6.350 -4.457 1.00 0.00 C ATOM 1271 C ALA A 88 -3.532 -5.051 -5.234 1.00 0.00 C ATOM 1272 O ALA A 88 -3.269 -5.073 -6.435 1.00 0.00 O ATOM 1273 CB ALA A 88 -2.602 -7.313 -4.695 1.00 0.00 C ATOM 0 H ALA A 88 -5.083 -7.100 -5.882 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.798 -6.135 -3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.669 -6.848 -4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.766 -8.226 -4.123 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.543 -7.555 -5.756 1.00 0.00 H new ATOM 1279 N TYR A 89 -3.657 -3.925 -4.549 1.00 0.00 N ATOM 1280 CA TYR A 89 -3.507 -2.621 -5.161 1.00 0.00 C ATOM 1281 C TYR A 89 -2.053 -2.203 -5.114 1.00 0.00 C ATOM 1282 O TYR A 89 -1.410 -2.371 -4.079 1.00 0.00 O ATOM 1283 CB TYR A 89 -4.316 -1.612 -4.370 1.00 0.00 C ATOM 1284 CG TYR A 89 -5.327 -0.840 -5.146 1.00 0.00 C ATOM 1285 CD1 TYR A 89 -4.997 0.354 -5.774 1.00 0.00 C ATOM 1286 CD2 TYR A 89 -6.623 -1.274 -5.197 1.00 0.00 C ATOM 1287 CE1 TYR A 89 -5.952 1.086 -6.449 1.00 0.00 C ATOM 1288 CE2 TYR A 89 -7.579 -0.551 -5.854 1.00 0.00 C ATOM 1289 CZ TYR A 89 -7.249 0.628 -6.484 1.00 0.00 C ATOM 1290 OH TYR A 89 -8.219 1.351 -7.139 1.00 0.00 O ATOM 0 H TYR A 89 -3.866 -3.893 -3.551 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.850 -2.665 -6.195 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -4.828 -2.137 -3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.627 -0.907 -3.904 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.980 0.714 -5.733 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.895 -2.200 -4.712 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.685 2.008 -6.944 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.599 -0.906 -5.879 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.712 1.898 -6.492 1.00 0.00 H new ATOM 1300 N TYR A 90 -1.544 -1.652 -6.209 1.00 0.00 N ATOM 1301 CA TYR A 90 -0.157 -1.203 -6.260 1.00 0.00 C ATOM 1302 C TYR A 90 0.774 -2.327 -5.844 1.00 0.00 C ATOM 1303 O TYR A 90 1.589 -2.179 -4.939 1.00 0.00 O ATOM 1304 CB TYR A 90 0.040 0.049 -5.388 1.00 0.00 C ATOM 1305 CG TYR A 90 -0.591 1.286 -5.996 1.00 0.00 C ATOM 1306 CD1 TYR A 90 -1.913 1.620 -5.737 1.00 0.00 C ATOM 1307 CD2 TYR A 90 0.139 2.114 -6.838 1.00 0.00 C ATOM 1308 CE1 TYR A 90 -2.490 2.743 -6.302 1.00 0.00 C ATOM 1309 CE2 TYR A 90 -0.430 3.240 -7.405 1.00 0.00 C ATOM 1310 CZ TYR A 90 -1.745 3.550 -7.132 1.00 0.00 C ATOM 1311 OH TYR A 90 -2.316 4.672 -7.690 1.00 0.00 O ATOM 0 H TYR A 90 -2.068 -1.505 -7.072 1.00 0.00 H new ATOM 0 HA TYR A 90 0.088 -0.928 -7.286 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.391 -0.127 -4.402 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.106 0.223 -5.243 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.501 0.993 -5.083 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.170 1.875 -7.054 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.521 2.986 -6.093 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.153 3.873 -8.058 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.655 5.132 -8.249 1.00 0.00 H new ATOM 1321 N GLU A 91 0.604 -3.470 -6.507 1.00 0.00 N ATOM 1322 CA GLU A 91 1.462 -4.639 -6.328 1.00 0.00 C ATOM 1323 C GLU A 91 1.274 -5.287 -4.951 1.00 0.00 C ATOM 1324 O GLU A 91 1.899 -6.302 -4.645 1.00 0.00 O ATOM 1325 CB GLU A 91 2.918 -4.237 -6.542 1.00 0.00 C ATOM 1326 CG GLU A 91 3.108 -3.265 -7.694 1.00 0.00 C ATOM 1327 CD GLU A 91 3.110 -3.942 -9.044 1.00 0.00 C ATOM 1328 OE1 GLU A 91 4.197 -4.366 -9.495 1.00 0.00 O ATOM 1329 OE2 GLU A 91 2.031 -4.044 -9.668 1.00 0.00 O ATOM 0 H GLU A 91 -0.140 -3.611 -7.190 1.00 0.00 H new ATOM 0 HA GLU A 91 1.177 -5.386 -7.069 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.302 -3.785 -5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.511 -5.132 -6.729 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.313 -2.520 -7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.049 -2.731 -7.560 1.00 0.00 H new ATOM 1336 N GLY A 92 0.407 -4.704 -4.137 1.00 0.00 N ATOM 1337 CA GLY A 92 0.111 -5.260 -2.833 1.00 0.00 C ATOM 1338 C GLY A 92 0.297 -4.255 -1.712 1.00 0.00 C ATOM 1339 O GLY A 92 0.365 -4.629 -0.544 1.00 0.00 O ATOM 0 H GLY A 92 -0.101 -3.848 -4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.916 -5.624 -2.822 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.756 -6.121 -2.655 1.00 0.00 H new ATOM 1343 N VAL A 93 0.410 -2.977 -2.069 1.00 0.00 N ATOM 1344 CA VAL A 93 0.362 -1.902 -1.081 1.00 0.00 C ATOM 1345 C VAL A 93 -1.015 -1.868 -0.434 1.00 0.00 C ATOM 1346 O VAL A 93 -1.181 -1.432 0.706 1.00 0.00 O ATOM 1347 CB VAL A 93 0.666 -0.520 -1.706 1.00 0.00 C ATOM 1348 CG1 VAL A 93 0.769 0.562 -0.645 1.00 0.00 C ATOM 1349 CG2 VAL A 93 1.942 -0.569 -2.526 1.00 0.00 C ATOM 0 H VAL A 93 0.535 -2.662 -3.031 1.00 0.00 H new ATOM 0 HA VAL A 93 1.130 -2.107 -0.336 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.167 -0.271 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.983 1.519 -1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.174 0.630 -0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.571 0.315 0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.136 0.414 -2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.776 -0.856 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.832 -1.300 -3.327 1.00 0.00 H new ATOM 1359 N PHE A 94 -2.008 -2.323 -1.184 1.00 0.00 N ATOM 1360 CA PHE A 94 -3.365 -2.439 -0.672 1.00 0.00 C ATOM 1361 C PHE A 94 -4.063 -3.611 -1.298 1.00 0.00 C ATOM 1362 O PHE A 94 -3.466 -4.461 -1.950 1.00 0.00 O ATOM 1363 CB PHE A 94 -4.233 -1.208 -0.964 1.00 0.00 C ATOM 1364 CG PHE A 94 -3.501 0.079 -0.979 1.00 0.00 C ATOM 1365 CD1 PHE A 94 -2.707 0.394 -2.050 1.00 0.00 C ATOM 1366 CD2 PHE A 94 -3.603 0.968 0.065 1.00 0.00 C ATOM 1367 CE1 PHE A 94 -2.026 1.562 -2.096 1.00 0.00 C ATOM 1368 CE2 PHE A 94 -2.921 2.157 0.031 1.00 0.00 C ATOM 1369 CZ PHE A 94 -2.129 2.455 -1.049 1.00 0.00 C ATOM 0 H PHE A 94 -1.898 -2.619 -2.154 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.255 -2.553 0.406 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.719 -1.345 -1.930 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.023 -1.152 -0.215 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.623 -0.302 -2.872 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.223 0.729 0.916 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.405 1.794 -2.948 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.007 2.855 0.850 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.586 3.388 -1.080 1.00 0.00 H new ATOM 1379 N CYS A 95 -5.347 -3.601 -1.087 1.00 0.00 N ATOM 1380 CA CYS A 95 -6.252 -4.579 -1.588 1.00 0.00 C ATOM 1381 C CYS A 95 -7.481 -3.834 -2.112 1.00 0.00 C ATOM 1382 O CYS A 95 -7.516 -2.619 -2.036 1.00 0.00 O ATOM 1383 CB CYS A 95 -6.563 -5.562 -0.470 1.00 0.00 C ATOM 1384 SG CYS A 95 -7.074 -4.789 1.081 1.00 0.00 S ATOM 0 H CYS A 95 -5.806 -2.876 -0.536 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.840 -5.163 -2.411 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -7.352 -6.236 -0.804 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -5.680 -6.173 -0.284 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.111 -4.041 1.531 1.00 0.00 H new ATOM 1390 N SER A 96 -8.419 -4.518 -2.741 1.00 0.00 N ATOM 1391 CA SER A 96 -9.615 -3.859 -3.272 1.00 0.00 C ATOM 1392 C SER A 96 -10.609 -4.909 -3.732 1.00 0.00 C ATOM 1393 O SER A 96 -10.315 -6.095 -3.673 1.00 0.00 O ATOM 1394 CB SER A 96 -9.278 -2.929 -4.433 1.00 0.00 C ATOM 1395 OG SER A 96 -10.387 -2.117 -4.778 1.00 0.00 O ATOM 0 H SER A 96 -8.384 -5.525 -2.900 1.00 0.00 H new ATOM 0 HA SER A 96 -10.049 -3.255 -2.475 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.432 -2.297 -4.163 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.973 -3.518 -5.298 1.00 0.00 H new ATOM 0 HG SER A 96 -10.352 -1.905 -5.734 1.00 0.00 H new ATOM 1401 N SER A 97 -11.792 -4.485 -4.147 1.00 0.00 N ATOM 1402 CA SER A 97 -12.782 -5.411 -4.670 1.00 0.00 C ATOM 1403 C SER A 97 -12.393 -5.790 -6.092 1.00 0.00 C ATOM 1404 O SER A 97 -13.127 -5.531 -7.043 1.00 0.00 O ATOM 1405 CB SER A 97 -14.177 -4.786 -4.642 1.00 0.00 C ATOM 1406 OG SER A 97 -15.200 -5.749 -4.842 1.00 0.00 O ATOM 0 H SER A 97 -12.089 -3.509 -4.132 1.00 0.00 H new ATOM 0 HA SER A 97 -12.809 -6.305 -4.047 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.331 -4.288 -3.685 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.246 -4.020 -5.414 1.00 0.00 H new ATOM 0 HG SER A 97 -16.075 -5.308 -4.815 1.00 0.00 H new ATOM 1412 N SER A 98 -11.208 -6.369 -6.207 1.00 0.00 N ATOM 1413 CA SER A 98 -10.626 -6.755 -7.486 1.00 0.00 C ATOM 1414 C SER A 98 -10.340 -5.531 -8.364 1.00 0.00 C ATOM 1415 O SER A 98 -9.256 -4.959 -8.284 1.00 0.00 O ATOM 1416 CB SER A 98 -11.531 -7.751 -8.213 1.00 0.00 C ATOM 1417 OG SER A 98 -10.977 -8.150 -9.459 1.00 0.00 O ATOM 0 H SER A 98 -10.615 -6.587 -5.406 1.00 0.00 H new ATOM 0 HA SER A 98 -9.673 -7.243 -7.284 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.685 -8.629 -7.585 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.510 -7.301 -8.377 1.00 0.00 H new ATOM 0 HG SER A 98 -11.580 -8.787 -9.896 1.00 0.00 H new ATOM 1423 N SER A 99 -11.324 -5.125 -9.168 1.00 0.00 N ATOM 1424 CA SER A 99 -11.152 -4.044 -10.134 1.00 0.00 C ATOM 1425 C SER A 99 -10.149 -4.460 -11.210 1.00 0.00 C ATOM 1426 O SER A 99 -8.943 -4.170 -11.064 1.00 0.00 O ATOM 1427 CB SER A 99 -10.708 -2.746 -9.439 1.00 0.00 C ATOM 1428 OG SER A 99 -10.661 -1.661 -10.350 1.00 0.00 O ATOM 1429 OXT SER A 99 -10.574 -5.100 -12.192 1.00 0.00 O ATOM 0 H SER A 99 -12.258 -5.535 -9.167 1.00 0.00 H new ATOM 0 HA SER A 99 -12.113 -3.848 -10.610 1.00 0.00 H new ATOM 0 HB2 SER A 99 -11.397 -2.512 -8.628 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.725 -2.890 -8.991 1.00 0.00 H new ATOM 0 HG SER A 99 -10.377 -0.850 -9.879 1.00 0.00 H new TER 1435 SER A 99