USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 691 hydrogens (18 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 NoAdj-H: A 52 ASNHD21 : A 52 ASN ND2 : A1052 NAG C1 :(H bumps) USER MOD NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A1078 NAG C1 :(H bumps) USER MOD Set 1.1: A 83 HIS : no HD1:sc= -5.94! C(o=-4.7!,f=-5.1!) USER MOD Set 1.2: A 86 THR OG1 : rot -63:sc= 1.22 USER MOD Set 2.1: A 27 GLN : amide:sc= -0.304 K(o=-19,f=-19) USER MOD Set 2.2: A 79 HIS : no HD1:sc= -19.2! C(o=-19!,f=-19!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.28) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -2.93! C(o=-2.9!,f=-3.8!) USER MOD Single : A 15 ASN : amide:sc= -9.61! C(o=-9.6!,f=-13!) USER MOD Single : A 19 SER OG : rot -79:sc= 1.08 USER MOD Single : A 20 GLN : amide:sc= 0.289 X(o=0.29,f=-0.013) USER MOD Single : A 29 MET CE :methyl 153:sc= -1.13 (180deg=-2.87!) USER MOD Single : A 34 SER OG : rot 165:sc= 1.14 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.314 USER MOD Single : A 43 SER OG : rot 65:sc= 1.04 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.39! USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.8!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 60:sc= 1.15 USER MOD Single : A 55 SER OG : rot -40:sc= 0.822 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0198 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0667 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.516 K(o=-0.52,f=-5.8!) USER MOD Single : A 69 THR OG1 : rot -64:sc= 0.00107 USER MOD Single : A 71 MET CE :methyl -170:sc= -6.89! (180deg=-7.68!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 150:sc= -2.83 USER MOD Single : A 85 SER OG : rot 180:sc= -0.236 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -4.09! K(o=-4.1!,f=-1.5) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A1052 NAG O3 : rot 180:sc= 0 USER MOD Single : A1052 NAG O4 : rot 160:sc= 0 USER MOD Single : A1052 NAG O6 : rot -38:sc= 0.0439 USER MOD Single : A1078 NAG O3 : rot 180:sc= 0 USER MOD Single : A1078 NAG O4 : rot 160:sc= 0 USER MOD Single : A1078 NAG O6 : rot 180:sc= -0.0112 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.792 10.455 20.852 1.00 0.00 N ATOM 2 CA ALA A 1 14.204 10.028 19.555 1.00 0.00 C ATOM 3 C ALA A 1 12.793 10.579 19.385 1.00 0.00 C ATOM 4 O ALA A 1 11.834 10.047 19.944 1.00 0.00 O ATOM 5 CB ALA A 1 14.191 8.510 19.458 1.00 0.00 C ATOM 0 H1 ALA A 1 15.752 10.066 20.942 1.00 0.00 H new ATOM 0 H2 ALA A 1 14.834 11.493 20.889 1.00 0.00 H new ATOM 0 H3 ALA A 1 14.202 10.104 21.633 1.00 0.00 H new ATOM 0 HA ALA A 1 14.824 10.430 18.753 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.758 8.210 18.504 1.00 0.00 H new ATOM 0 HB2 ALA A 1 15.211 8.132 19.528 1.00 0.00 H new ATOM 0 HB3 ALA A 1 13.595 8.098 20.272 1.00 0.00 H new ATOM 13 N PRO A 2 12.651 11.661 18.606 1.00 0.00 N ATOM 14 CA PRO A 2 11.354 12.298 18.356 1.00 0.00 C ATOM 15 C PRO A 2 10.287 11.300 17.923 1.00 0.00 C ATOM 16 O PRO A 2 10.593 10.164 17.562 1.00 0.00 O ATOM 17 CB PRO A 2 11.663 13.284 17.228 1.00 0.00 C ATOM 18 CG PRO A 2 13.099 13.621 17.425 1.00 0.00 C ATOM 19 CD PRO A 2 13.748 12.353 17.906 1.00 0.00 C ATOM 0 HA PRO A 2 10.947 12.766 19.252 1.00 0.00 H new ATOM 0 HB2 PRO A 2 11.489 12.837 16.249 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.033 14.171 17.290 1.00 0.00 H new ATOM 0 HG2 PRO A 2 13.552 13.965 16.495 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.217 14.423 18.154 1.00 0.00 H new ATOM 0 HD2 PRO A 2 14.136 11.759 17.078 1.00 0.00 H new ATOM 0 HD3 PRO A 2 14.586 12.557 18.572 1.00 0.00 H new ATOM 27 N ASP A 3 9.031 11.734 17.970 1.00 0.00 N ATOM 28 CA ASP A 3 7.910 10.881 17.589 1.00 0.00 C ATOM 29 C ASP A 3 7.140 11.483 16.419 1.00 0.00 C ATOM 30 O ASP A 3 5.910 11.529 16.431 1.00 0.00 O ATOM 31 CB ASP A 3 6.974 10.681 18.782 1.00 0.00 C ATOM 32 CG ASP A 3 6.210 9.373 18.710 1.00 0.00 C ATOM 33 OD1 ASP A 3 6.859 8.312 18.600 1.00 0.00 O ATOM 34 OD2 ASP A 3 4.963 9.411 18.764 1.00 0.00 O ATOM 0 H ASP A 3 8.764 12.672 18.268 1.00 0.00 H new ATOM 0 HA ASP A 3 8.307 9.915 17.277 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.555 10.708 19.704 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.266 11.509 18.827 1.00 0.00 H new ATOM 39 N VAL A 4 7.870 11.943 15.410 1.00 0.00 N ATOM 40 CA VAL A 4 7.254 12.542 14.233 1.00 0.00 C ATOM 41 C VAL A 4 8.012 12.166 12.966 1.00 0.00 C ATOM 42 O VAL A 4 9.217 12.395 12.860 1.00 0.00 O ATOM 43 CB VAL A 4 7.196 14.076 14.348 1.00 0.00 C ATOM 44 CG1 VAL A 4 8.545 14.630 14.779 1.00 0.00 C ATOM 45 CG2 VAL A 4 6.752 14.695 13.031 1.00 0.00 C ATOM 0 H VAL A 4 8.889 11.913 15.383 1.00 0.00 H new ATOM 0 HA VAL A 4 6.238 12.152 14.175 1.00 0.00 H new ATOM 0 HB VAL A 4 6.462 14.337 15.110 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.485 15.716 14.855 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.817 14.213 15.749 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.302 14.359 14.043 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.717 15.780 13.132 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.459 14.426 12.246 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.761 14.323 12.770 1.00 0.00 H new ATOM 55 N GLN A 5 7.298 11.587 12.006 1.00 0.00 N ATOM 56 CA GLN A 5 7.903 11.176 10.745 1.00 0.00 C ATOM 57 C GLN A 5 7.578 12.171 9.634 1.00 0.00 C ATOM 58 O GLN A 5 7.021 13.238 9.889 1.00 0.00 O ATOM 59 CB GLN A 5 7.421 9.779 10.359 1.00 0.00 C ATOM 60 CG GLN A 5 8.296 8.663 10.904 1.00 0.00 C ATOM 61 CD GLN A 5 7.773 7.285 10.551 1.00 0.00 C ATOM 62 OE1 GLN A 5 6.945 6.720 11.264 1.00 0.00 O ATOM 63 NE2 GLN A 5 8.257 6.736 9.444 1.00 0.00 N ATOM 0 H GLN A 5 6.299 11.392 12.078 1.00 0.00 H new ATOM 0 HA GLN A 5 8.985 11.154 10.877 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.403 9.642 10.722 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.385 9.703 9.272 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.307 8.775 10.512 1.00 0.00 H new ATOM 0 HG3 GLN A 5 8.362 8.755 11.988 1.00 0.00 H new ATOM 0 HE21 GLN A 5 8.943 7.241 8.882 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.943 5.810 9.155 1.00 0.00 H new ATOM 72 N ASP A 6 7.933 11.818 8.403 1.00 0.00 N ATOM 73 CA ASP A 6 7.682 12.688 7.260 1.00 0.00 C ATOM 74 C ASP A 6 7.323 11.880 6.015 1.00 0.00 C ATOM 75 O ASP A 6 8.158 11.676 5.135 1.00 0.00 O ATOM 76 CB ASP A 6 8.909 13.557 6.980 1.00 0.00 C ATOM 77 CG ASP A 6 8.540 14.940 6.481 1.00 0.00 C ATOM 78 OD1 ASP A 6 8.109 15.773 7.305 1.00 0.00 O ATOM 79 OD2 ASP A 6 8.681 15.190 5.265 1.00 0.00 O ATOM 0 H ASP A 6 8.394 10.938 8.172 1.00 0.00 H new ATOM 0 HA ASP A 6 6.834 13.327 7.506 1.00 0.00 H new ATOM 0 HB2 ASP A 6 9.500 13.649 7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 6 9.538 13.063 6.240 1.00 0.00 H new ATOM 84 N CYS A 7 6.072 11.433 5.947 1.00 0.00 N ATOM 85 CA CYS A 7 5.591 10.657 4.808 1.00 0.00 C ATOM 86 C CYS A 7 4.473 9.703 5.214 1.00 0.00 C ATOM 87 O CYS A 7 3.470 9.590 4.514 1.00 0.00 O ATOM 88 CB CYS A 7 6.723 9.861 4.160 1.00 0.00 C ATOM 89 SG CYS A 7 6.145 8.512 3.074 1.00 0.00 S ATOM 0 H CYS A 7 5.371 11.596 6.670 1.00 0.00 H new ATOM 0 HA CYS A 7 5.199 11.372 4.084 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.347 10.541 3.579 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.354 9.440 4.943 1.00 0.00 H new ATOM 94 N PRO A 8 4.623 9.002 6.353 1.00 0.00 N ATOM 95 CA PRO A 8 3.617 8.067 6.834 1.00 0.00 C ATOM 96 C PRO A 8 2.218 8.479 6.403 1.00 0.00 C ATOM 97 O PRO A 8 1.514 9.182 7.127 1.00 0.00 O ATOM 98 CB PRO A 8 3.789 8.167 8.344 1.00 0.00 C ATOM 99 CG PRO A 8 5.253 8.419 8.540 1.00 0.00 C ATOM 100 CD PRO A 8 5.771 9.067 7.273 1.00 0.00 C ATOM 0 HA PRO A 8 3.736 7.056 6.444 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.188 8.976 8.759 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.474 7.249 8.841 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.420 9.068 9.400 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.781 7.486 8.738 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.085 10.096 7.449 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.634 8.534 6.875 1.00 0.00 H new ATOM 108 N GLU A 9 1.834 8.055 5.205 1.00 0.00 N ATOM 109 CA GLU A 9 0.533 8.400 4.655 1.00 0.00 C ATOM 110 C GLU A 9 -0.118 7.214 3.960 1.00 0.00 C ATOM 111 O GLU A 9 0.557 6.334 3.426 1.00 0.00 O ATOM 112 CB GLU A 9 0.681 9.564 3.668 1.00 0.00 C ATOM 113 CG GLU A 9 -0.227 9.479 2.447 1.00 0.00 C ATOM 114 CD GLU A 9 -1.198 10.641 2.362 1.00 0.00 C ATOM 115 OE1 GLU A 9 -2.164 10.666 3.153 1.00 0.00 O ATOM 116 OE2 GLU A 9 -0.992 11.526 1.504 1.00 0.00 O ATOM 0 H GLU A 9 2.408 7.471 4.597 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.112 8.695 5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.476 10.497 4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.717 9.609 3.332 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.384 9.454 1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.786 8.544 2.479 1.00 0.00 H new ATOM 123 N CYS A 10 -1.441 7.226 3.959 1.00 0.00 N ATOM 124 CA CYS A 10 -2.233 6.190 3.319 1.00 0.00 C ATOM 125 C CYS A 10 -3.695 6.626 3.290 1.00 0.00 C ATOM 126 O CYS A 10 -4.232 7.050 4.313 1.00 0.00 O ATOM 127 CB CYS A 10 -2.111 4.861 4.068 1.00 0.00 C ATOM 128 SG CYS A 10 -0.994 4.908 5.507 1.00 0.00 S ATOM 0 H CYS A 10 -1.997 7.957 4.403 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.862 6.045 2.304 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.102 4.554 4.402 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.758 4.098 3.374 1.00 0.00 H new ATOM 133 N THR A 11 -4.342 6.546 2.133 1.00 0.00 N ATOM 134 CA THR A 11 -5.740 6.969 2.047 1.00 0.00 C ATOM 135 C THR A 11 -6.574 6.067 1.176 1.00 0.00 C ATOM 136 O THR A 11 -7.761 5.863 1.419 1.00 0.00 O ATOM 137 CB THR A 11 -5.833 8.393 1.516 1.00 0.00 C ATOM 138 OG1 THR A 11 -6.613 8.438 0.333 1.00 0.00 O ATOM 139 CG2 THR A 11 -4.488 9.012 1.199 1.00 0.00 C ATOM 0 H THR A 11 -3.937 6.202 1.262 1.00 0.00 H new ATOM 0 HA THR A 11 -6.138 6.914 3.060 1.00 0.00 H new ATOM 0 HB THR A 11 -6.295 8.965 2.320 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.662 9.361 0.008 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.633 10.026 0.826 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.879 9.041 2.103 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.982 8.415 0.440 1.00 0.00 H new ATOM 147 N LEU A 12 -5.937 5.575 0.153 1.00 0.00 N ATOM 148 CA LEU A 12 -6.564 4.707 -0.835 1.00 0.00 C ATOM 149 C LEU A 12 -6.800 5.475 -2.108 1.00 0.00 C ATOM 150 O LEU A 12 -7.409 6.545 -2.099 1.00 0.00 O ATOM 151 CB LEU A 12 -7.896 4.149 -0.349 1.00 0.00 C ATOM 152 CG LEU A 12 -7.797 2.991 0.631 1.00 0.00 C ATOM 153 CD1 LEU A 12 -7.079 3.423 1.895 1.00 0.00 C ATOM 154 CD2 LEU A 12 -9.189 2.479 0.951 1.00 0.00 C ATOM 0 H LEU A 12 -4.951 5.761 -0.032 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.885 3.871 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.458 4.955 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.472 3.822 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.219 2.186 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.018 2.581 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.073 3.761 1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.629 4.238 2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.119 1.649 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.779 3.281 1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.671 2.139 0.035 1.00 0.00 H new ATOM 166 N GLN A 13 -6.322 4.932 -3.204 1.00 0.00 N ATOM 167 CA GLN A 13 -6.499 5.588 -4.480 1.00 0.00 C ATOM 168 C GLN A 13 -7.529 4.876 -5.310 1.00 0.00 C ATOM 169 O GLN A 13 -7.251 4.385 -6.404 1.00 0.00 O ATOM 170 CB GLN A 13 -5.197 5.678 -5.221 1.00 0.00 C ATOM 171 CG GLN A 13 -4.169 6.513 -4.484 1.00 0.00 C ATOM 172 CD GLN A 13 -3.220 7.245 -5.410 1.00 0.00 C ATOM 173 OE1 GLN A 13 -3.099 6.912 -6.589 1.00 0.00 O ATOM 174 NE2 GLN A 13 -2.539 8.251 -4.874 1.00 0.00 N ATOM 0 H GLN A 13 -5.813 4.049 -3.239 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.854 6.601 -4.289 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.801 4.675 -5.378 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.372 6.109 -6.207 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.684 7.239 -3.854 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.593 5.867 -3.821 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.672 8.491 -3.892 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.883 8.784 -5.445 1.00 0.00 H new ATOM 183 N GLU A 14 -8.713 4.827 -4.749 1.00 0.00 N ATOM 184 CA GLU A 14 -9.855 4.175 -5.370 1.00 0.00 C ATOM 185 C GLU A 14 -9.514 3.710 -6.762 1.00 0.00 C ATOM 186 O GLU A 14 -9.148 4.493 -7.639 1.00 0.00 O ATOM 187 CB GLU A 14 -11.069 5.085 -5.424 1.00 0.00 C ATOM 188 CG GLU A 14 -12.293 4.420 -6.040 1.00 0.00 C ATOM 189 CD GLU A 14 -13.194 5.407 -6.757 1.00 0.00 C ATOM 190 OE1 GLU A 14 -13.995 6.082 -6.075 1.00 0.00 O ATOM 191 OE2 GLU A 14 -13.100 5.505 -7.999 1.00 0.00 O ATOM 0 H GLU A 14 -8.919 5.241 -3.840 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.102 3.314 -4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.313 5.414 -4.414 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.821 5.977 -5.999 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.970 3.652 -6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.861 3.917 -5.257 1.00 0.00 H new ATOM 198 N ASN A 15 -9.629 2.427 -6.935 1.00 0.00 N ATOM 199 CA ASN A 15 -9.329 1.787 -8.190 1.00 0.00 C ATOM 200 C ASN A 15 -10.087 2.417 -9.345 1.00 0.00 C ATOM 201 O ASN A 15 -11.285 2.189 -9.517 1.00 0.00 O ATOM 202 CB ASN A 15 -9.653 0.311 -8.103 1.00 0.00 C ATOM 203 CG ASN A 15 -8.582 -0.545 -8.727 1.00 0.00 C ATOM 204 OD1 ASN A 15 -8.646 -0.893 -9.905 1.00 0.00 O ATOM 205 ND2 ASN A 15 -7.588 -0.884 -7.929 1.00 0.00 N ATOM 0 H ASN A 15 -9.936 1.785 -6.204 1.00 0.00 H new ATOM 0 HA ASN A 15 -8.265 1.921 -8.384 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -9.777 0.029 -7.057 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -10.604 0.120 -8.600 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.825 -1.461 -8.282 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.583 -0.569 -6.959 1.00 0.00 H new ATOM 212 N PRO A 16 -9.383 3.184 -10.186 1.00 0.00 N ATOM 213 CA PRO A 16 -9.974 3.802 -11.357 1.00 0.00 C ATOM 214 C PRO A 16 -10.047 2.784 -12.481 1.00 0.00 C ATOM 215 O PRO A 16 -10.003 3.120 -13.664 1.00 0.00 O ATOM 216 CB PRO A 16 -9.012 4.940 -11.701 1.00 0.00 C ATOM 217 CG PRO A 16 -7.719 4.632 -11.007 1.00 0.00 C ATOM 218 CD PRO A 16 -7.946 3.457 -10.083 1.00 0.00 C ATOM 0 HA PRO A 16 -10.989 4.164 -11.195 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.866 5.011 -12.779 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.411 5.898 -11.369 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.943 4.398 -11.736 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.375 5.499 -10.442 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.355 2.593 -10.386 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.659 3.696 -9.059 1.00 0.00 H new ATOM 226 N PHE A 17 -10.142 1.523 -12.070 1.00 0.00 N ATOM 227 CA PHE A 17 -10.205 0.397 -12.981 1.00 0.00 C ATOM 228 C PHE A 17 -11.427 -0.456 -12.677 1.00 0.00 C ATOM 229 O PHE A 17 -12.313 -0.626 -13.515 1.00 0.00 O ATOM 230 CB PHE A 17 -8.944 -0.452 -12.824 1.00 0.00 C ATOM 231 CG PHE A 17 -8.682 -1.343 -13.999 1.00 0.00 C ATOM 232 CD1 PHE A 17 -9.475 -2.453 -14.233 1.00 0.00 C ATOM 233 CD2 PHE A 17 -7.648 -1.063 -14.874 1.00 0.00 C ATOM 234 CE1 PHE A 17 -9.239 -3.272 -15.320 1.00 0.00 C ATOM 235 CE2 PHE A 17 -7.406 -1.875 -15.965 1.00 0.00 C ATOM 236 CZ PHE A 17 -8.204 -2.981 -16.189 1.00 0.00 C ATOM 0 H PHE A 17 -10.177 1.257 -11.086 1.00 0.00 H new ATOM 0 HA PHE A 17 -10.276 0.770 -14.003 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.087 0.206 -12.677 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.035 -1.063 -11.926 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.287 -2.681 -13.558 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.023 -0.199 -14.702 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -9.862 -4.138 -15.491 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.595 -1.646 -16.641 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.019 -3.617 -17.042 1.00 0.00 H new ATOM 246 N PHE A 18 -11.458 -0.987 -11.462 1.00 0.00 N ATOM 247 CA PHE A 18 -12.558 -1.823 -11.015 1.00 0.00 C ATOM 248 C PHE A 18 -13.791 -0.974 -10.738 1.00 0.00 C ATOM 249 O PHE A 18 -14.876 -1.497 -10.481 1.00 0.00 O ATOM 250 CB PHE A 18 -12.143 -2.592 -9.764 1.00 0.00 C ATOM 251 CG PHE A 18 -10.805 -3.257 -9.907 1.00 0.00 C ATOM 252 CD1 PHE A 18 -10.360 -3.675 -11.148 1.00 0.00 C ATOM 253 CD2 PHE A 18 -9.993 -3.460 -8.806 1.00 0.00 C ATOM 254 CE1 PHE A 18 -9.129 -4.286 -11.291 1.00 0.00 C ATOM 255 CE2 PHE A 18 -8.760 -4.071 -8.939 1.00 0.00 C ATOM 256 CZ PHE A 18 -8.328 -4.484 -10.185 1.00 0.00 C ATOM 0 H PHE A 18 -10.726 -0.850 -10.765 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.807 -2.536 -11.801 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -12.115 -1.908 -8.915 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -12.897 -3.347 -9.540 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.983 -3.522 -12.017 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -10.326 -3.137 -7.831 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.795 -4.608 -12.266 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.136 -4.225 -8.071 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.365 -4.961 -10.293 1.00 0.00 H new ATOM 266 N SER A 19 -13.614 0.342 -10.800 1.00 0.00 N ATOM 267 CA SER A 19 -14.707 1.274 -10.566 1.00 0.00 C ATOM 268 C SER A 19 -15.929 0.886 -11.394 1.00 0.00 C ATOM 269 O SER A 19 -15.974 1.119 -12.602 1.00 0.00 O ATOM 270 CB SER A 19 -14.269 2.697 -10.910 1.00 0.00 C ATOM 271 OG SER A 19 -12.941 2.718 -11.406 1.00 0.00 O ATOM 0 H SER A 19 -12.720 0.786 -11.011 1.00 0.00 H new ATOM 0 HA SER A 19 -14.976 1.232 -9.511 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.945 3.119 -11.654 1.00 0.00 H new ATOM 0 HB3 SER A 19 -14.339 3.326 -10.023 1.00 0.00 H new ATOM 0 HG SER A 19 -12.311 2.660 -10.657 1.00 0.00 H new ATOM 277 N GLN A 20 -16.911 0.289 -10.733 1.00 0.00 N ATOM 278 CA GLN A 20 -18.135 -0.144 -11.397 1.00 0.00 C ATOM 279 C GLN A 20 -19.346 0.596 -10.843 1.00 0.00 C ATOM 280 O GLN A 20 -19.243 1.319 -9.854 1.00 0.00 O ATOM 281 CB GLN A 20 -18.327 -1.651 -11.211 1.00 0.00 C ATOM 282 CG GLN A 20 -17.836 -2.479 -12.384 1.00 0.00 C ATOM 283 CD GLN A 20 -17.433 -3.886 -11.984 1.00 0.00 C ATOM 284 OE1 GLN A 20 -17.967 -4.868 -12.501 1.00 0.00 O ATOM 285 NE2 GLN A 20 -16.486 -3.989 -11.060 1.00 0.00 N ATOM 0 H GLN A 20 -16.884 0.092 -9.733 1.00 0.00 H new ATOM 0 HA GLN A 20 -18.044 0.084 -12.459 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -17.801 -1.967 -10.310 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -19.385 -1.856 -11.051 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -18.620 -2.532 -13.139 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -16.984 -1.979 -12.844 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -16.071 -3.148 -10.659 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -16.173 -4.909 -10.751 1.00 0.00 H new ATOM 294 N PRO A 21 -20.517 0.409 -11.474 1.00 0.00 N ATOM 295 CA PRO A 21 -21.765 1.045 -11.038 1.00 0.00 C ATOM 296 C PRO A 21 -22.087 0.707 -9.588 1.00 0.00 C ATOM 297 O PRO A 21 -23.044 -0.014 -9.305 1.00 0.00 O ATOM 298 CB PRO A 21 -22.823 0.446 -11.972 1.00 0.00 C ATOM 299 CG PRO A 21 -22.061 -0.015 -13.166 1.00 0.00 C ATOM 300 CD PRO A 21 -20.716 -0.448 -12.654 1.00 0.00 C ATOM 0 HA PRO A 21 -21.712 2.133 -11.085 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -23.349 -0.381 -11.495 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -23.575 1.187 -12.245 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -22.574 -0.839 -13.662 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -21.961 0.786 -13.899 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -20.706 -1.506 -12.390 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -19.934 -0.298 -13.398 1.00 0.00 H new ATOM 308 N GLY A 22 -21.271 1.219 -8.676 1.00 0.00 N ATOM 309 CA GLY A 22 -21.469 0.948 -7.268 1.00 0.00 C ATOM 310 C GLY A 22 -20.317 0.171 -6.679 1.00 0.00 C ATOM 311 O GLY A 22 -20.464 -0.493 -5.653 1.00 0.00 O ATOM 0 H GLY A 22 -20.474 1.819 -8.888 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -21.586 1.889 -6.730 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -22.393 0.386 -7.132 1.00 0.00 H new ATOM 315 N ALA A 23 -19.165 0.246 -7.335 1.00 0.00 N ATOM 316 CA ALA A 23 -17.988 -0.465 -6.870 1.00 0.00 C ATOM 317 C ALA A 23 -16.719 0.191 -7.355 1.00 0.00 C ATOM 318 O ALA A 23 -16.225 -0.064 -8.452 1.00 0.00 O ATOM 319 CB ALA A 23 -18.058 -1.921 -7.295 1.00 0.00 C ATOM 0 H ALA A 23 -19.024 0.790 -8.186 1.00 0.00 H new ATOM 0 HA ALA A 23 -17.969 -0.425 -5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.171 -2.446 -6.942 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -18.948 -2.383 -6.867 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -18.106 -1.981 -8.382 1.00 0.00 H new ATOM 325 N PRO A 24 -16.207 1.075 -6.513 1.00 0.00 N ATOM 326 CA PRO A 24 -15.021 1.854 -6.749 1.00 0.00 C ATOM 327 C PRO A 24 -13.826 1.373 -5.947 1.00 0.00 C ATOM 328 O PRO A 24 -13.419 2.010 -4.981 1.00 0.00 O ATOM 329 CB PRO A 24 -15.499 3.210 -6.245 1.00 0.00 C ATOM 330 CG PRO A 24 -16.464 2.895 -5.130 1.00 0.00 C ATOM 331 CD PRO A 24 -16.784 1.431 -5.225 1.00 0.00 C ATOM 0 HA PRO A 24 -14.668 1.822 -7.780 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.665 3.814 -5.886 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.985 3.777 -7.039 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.024 3.131 -4.161 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.370 3.494 -5.223 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.339 0.863 -4.408 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -17.858 1.246 -5.194 1.00 0.00 H new ATOM 339 N ILE A 25 -13.281 0.240 -6.357 1.00 0.00 N ATOM 340 CA ILE A 25 -12.141 -0.357 -5.711 1.00 0.00 C ATOM 341 C ILE A 25 -11.098 0.659 -5.266 1.00 0.00 C ATOM 342 O ILE A 25 -11.319 1.865 -5.337 1.00 0.00 O ATOM 343 CB ILE A 25 -11.532 -1.386 -6.649 1.00 0.00 C ATOM 344 CG1 ILE A 25 -12.531 -2.501 -6.813 1.00 0.00 C ATOM 345 CG2 ILE A 25 -10.243 -1.927 -6.073 1.00 0.00 C ATOM 346 CD1 ILE A 25 -13.042 -2.963 -5.477 1.00 0.00 C ATOM 0 H ILE A 25 -13.627 -0.291 -7.156 1.00 0.00 H new ATOM 0 HA ILE A 25 -12.489 -0.836 -4.796 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.303 -0.930 -7.612 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -13.364 -2.161 -7.428 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.067 -3.336 -7.338 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.819 -2.663 -6.757 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.535 -1.110 -5.935 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.444 -2.399 -5.111 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.762 -3.769 -5.622 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.209 -3.325 -4.874 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -13.526 -2.131 -4.965 1.00 0.00 H new ATOM 358 N LEU A 26 -9.986 0.155 -4.729 1.00 0.00 N ATOM 359 CA LEU A 26 -8.948 1.006 -4.180 1.00 0.00 C ATOM 360 C LEU A 26 -7.574 0.403 -4.231 1.00 0.00 C ATOM 361 O LEU A 26 -7.282 -0.516 -4.991 1.00 0.00 O ATOM 362 CB LEU A 26 -9.299 1.220 -2.733 1.00 0.00 C ATOM 363 CG LEU A 26 -10.708 0.796 -2.425 1.00 0.00 C ATOM 364 CD1 LEU A 26 -10.811 0.213 -1.036 1.00 0.00 C ATOM 365 CD2 LEU A 26 -11.667 1.955 -2.606 1.00 0.00 C ATOM 0 H LEU A 26 -9.788 -0.844 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.911 1.920 -4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.607 0.659 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.175 2.273 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.988 0.013 -3.130 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.841 -0.085 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.161 -0.658 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.505 0.961 -0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.681 1.627 -2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.388 2.766 -1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.622 2.307 -3.637 1.00 0.00 H new ATOM 377 N GLN A 27 -6.751 0.961 -3.369 1.00 0.00 N ATOM 378 CA GLN A 27 -5.369 0.539 -3.209 1.00 0.00 C ATOM 379 C GLN A 27 -4.532 1.647 -2.578 1.00 0.00 C ATOM 380 O GLN A 27 -3.971 2.495 -3.271 1.00 0.00 O ATOM 381 CB GLN A 27 -4.770 0.116 -4.545 1.00 0.00 C ATOM 382 CG GLN A 27 -3.310 -0.287 -4.425 1.00 0.00 C ATOM 383 CD GLN A 27 -3.052 -1.169 -3.221 1.00 0.00 C ATOM 384 OE1 GLN A 27 -3.421 -2.344 -3.206 1.00 0.00 O ATOM 385 NE2 GLN A 27 -2.418 -0.603 -2.202 1.00 0.00 N ATOM 0 H GLN A 27 -7.021 1.727 -2.752 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.359 -0.322 -2.541 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.342 -0.719 -4.948 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.860 0.937 -5.256 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.006 -0.813 -5.330 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.693 0.609 -4.355 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.131 0.374 -2.259 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.218 -1.145 -1.362 1.00 0.00 H new ATOM 394 N CYS A 28 -4.462 1.624 -1.252 1.00 0.00 N ATOM 395 CA CYS A 28 -3.708 2.615 -0.491 1.00 0.00 C ATOM 396 C CYS A 28 -2.474 3.071 -1.257 1.00 0.00 C ATOM 397 O CYS A 28 -1.535 2.300 -1.451 1.00 0.00 O ATOM 398 CB CYS A 28 -3.282 2.050 0.869 1.00 0.00 C ATOM 399 SG CYS A 28 -3.783 3.082 2.287 1.00 0.00 S ATOM 0 H CYS A 28 -4.924 0.921 -0.675 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.363 3.472 -0.333 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.709 1.054 0.988 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.198 1.935 0.881 1.00 0.00 H new ATOM 404 N MET A 29 -2.473 4.327 -1.682 1.00 0.00 N ATOM 405 CA MET A 29 -1.332 4.866 -2.417 1.00 0.00 C ATOM 406 C MET A 29 -0.975 6.265 -1.930 1.00 0.00 C ATOM 407 O MET A 29 -0.938 7.216 -2.711 1.00 0.00 O ATOM 408 CB MET A 29 -1.615 4.889 -3.918 1.00 0.00 C ATOM 409 CG MET A 29 -0.465 4.365 -4.761 1.00 0.00 C ATOM 410 SD MET A 29 -1.024 3.364 -6.153 1.00 0.00 S ATOM 411 CE MET A 29 -0.703 1.717 -5.531 1.00 0.00 C ATOM 0 H MET A 29 -3.237 4.986 -1.534 1.00 0.00 H new ATOM 0 HA MET A 29 -0.481 4.211 -2.231 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.505 4.293 -4.121 1.00 0.00 H new ATOM 0 HB3 MET A 29 -1.841 5.911 -4.221 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.119 5.206 -5.135 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.198 3.770 -4.134 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.387 1.011 -6.002 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.325 1.435 -5.761 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.851 1.701 -4.451 1.00 0.00 H new ATOM 421 N GLY A 30 -0.705 6.379 -0.635 1.00 0.00 N ATOM 422 CA GLY A 30 -0.343 7.661 -0.059 1.00 0.00 C ATOM 423 C GLY A 30 1.160 7.842 0.046 1.00 0.00 C ATOM 424 O GLY A 30 1.811 8.233 -0.923 1.00 0.00 O ATOM 0 H GLY A 30 -0.730 5.604 0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.761 8.462 -0.669 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.787 7.750 0.932 1.00 0.00 H new ATOM 428 N CYS A 31 1.717 7.552 1.220 1.00 0.00 N ATOM 429 CA CYS A 31 3.165 7.684 1.428 1.00 0.00 C ATOM 430 C CYS A 31 3.630 6.895 2.649 1.00 0.00 C ATOM 431 O CYS A 31 3.587 7.391 3.772 1.00 0.00 O ATOM 432 CB CYS A 31 3.561 9.157 1.579 1.00 0.00 C ATOM 433 SG CYS A 31 5.357 9.470 1.463 1.00 0.00 S ATOM 0 H CYS A 31 1.198 7.227 2.036 1.00 0.00 H new ATOM 0 HA CYS A 31 3.657 7.272 0.547 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.053 9.738 0.810 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.202 9.520 2.542 1.00 0.00 H new ATOM 438 N CYS A 32 4.080 5.665 2.410 1.00 0.00 N ATOM 439 CA CYS A 32 4.564 4.784 3.472 1.00 0.00 C ATOM 440 C CYS A 32 4.122 3.353 3.196 1.00 0.00 C ATOM 441 O CYS A 32 3.164 2.858 3.792 1.00 0.00 O ATOM 442 CB CYS A 32 4.051 5.240 4.843 1.00 0.00 C ATOM 443 SG CYS A 32 4.014 3.927 6.107 1.00 0.00 S ATOM 0 H CYS A 32 4.120 5.252 1.478 1.00 0.00 H new ATOM 0 HA CYS A 32 5.653 4.829 3.487 1.00 0.00 H new ATOM 0 HB2 CYS A 32 4.681 6.054 5.201 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.045 5.643 4.725 1.00 0.00 H new ATOM 448 N PHE A 33 4.814 2.699 2.271 1.00 0.00 N ATOM 449 CA PHE A 33 4.483 1.332 1.896 1.00 0.00 C ATOM 450 C PHE A 33 5.656 0.657 1.191 1.00 0.00 C ATOM 451 O PHE A 33 5.909 -0.532 1.388 1.00 0.00 O ATOM 452 CB PHE A 33 3.250 1.335 0.991 1.00 0.00 C ATOM 453 CG PHE A 33 2.436 2.594 1.106 1.00 0.00 C ATOM 454 CD1 PHE A 33 2.778 3.731 0.388 1.00 0.00 C ATOM 455 CD2 PHE A 33 1.327 2.643 1.936 1.00 0.00 C ATOM 456 CE1 PHE A 33 2.030 4.887 0.496 1.00 0.00 C ATOM 457 CE2 PHE A 33 0.579 3.796 2.048 1.00 0.00 C ATOM 458 CZ PHE A 33 0.929 4.918 1.327 1.00 0.00 C ATOM 0 H PHE A 33 5.608 3.094 1.767 1.00 0.00 H new ATOM 0 HA PHE A 33 4.267 0.765 2.801 1.00 0.00 H new ATOM 0 HB2 PHE A 33 3.566 1.208 -0.044 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.622 0.480 1.240 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.639 3.712 -0.263 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.045 1.767 2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.306 5.765 -0.069 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.281 3.820 2.701 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.342 5.820 1.413 1.00 0.00 H new ATOM 468 N SER A 34 6.369 1.424 0.371 1.00 0.00 N ATOM 469 CA SER A 34 7.518 0.903 -0.363 1.00 0.00 C ATOM 470 C SER A 34 7.090 0.306 -1.700 1.00 0.00 C ATOM 471 O SER A 34 6.572 -0.810 -1.755 1.00 0.00 O ATOM 472 CB SER A 34 8.248 -0.154 0.469 1.00 0.00 C ATOM 473 OG SER A 34 9.640 -0.142 0.201 1.00 0.00 O ATOM 0 H SER A 34 6.171 2.410 0.198 1.00 0.00 H new ATOM 0 HA SER A 34 8.195 1.734 -0.558 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.077 0.031 1.529 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.840 -1.141 0.248 1.00 0.00 H new ATOM 0 HG SER A 34 10.112 -0.639 0.901 1.00 0.00 H new ATOM 479 N ARG A 35 7.312 1.055 -2.775 1.00 0.00 N ATOM 480 CA ARG A 35 6.953 0.600 -4.114 1.00 0.00 C ATOM 481 C ARG A 35 7.324 1.644 -5.163 1.00 0.00 C ATOM 482 O ARG A 35 6.656 1.774 -6.189 1.00 0.00 O ATOM 483 CB ARG A 35 5.456 0.293 -4.190 1.00 0.00 C ATOM 484 CG ARG A 35 4.575 1.433 -3.705 1.00 0.00 C ATOM 485 CD ARG A 35 3.303 1.548 -4.530 1.00 0.00 C ATOM 486 NE ARG A 35 2.754 0.240 -4.882 1.00 0.00 N ATOM 487 CZ ARG A 35 2.912 -0.333 -6.072 1.00 0.00 C ATOM 488 NH1 ARG A 35 3.628 0.267 -7.016 1.00 0.00 N ATOM 489 NH2 ARG A 35 2.359 -1.513 -6.319 1.00 0.00 N ATOM 0 H ARG A 35 7.739 1.981 -2.745 1.00 0.00 H new ATOM 0 HA ARG A 35 7.514 -0.312 -4.321 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.194 0.056 -5.221 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.245 -0.596 -3.595 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.317 1.274 -2.658 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.130 2.370 -3.758 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.559 2.114 -3.970 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.512 2.110 -5.441 1.00 0.00 H new ATOM 0 HE ARG A 35 2.219 -0.263 -4.174 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.060 1.172 -6.830 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.746 -0.177 -7.927 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.812 -1.981 -5.596 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.480 -1.952 -7.232 1.00 0.00 H new ATOM 503 N ALA A 36 8.396 2.385 -4.899 1.00 0.00 N ATOM 504 CA ALA A 36 8.860 3.417 -5.819 1.00 0.00 C ATOM 505 C ALA A 36 7.788 4.478 -6.049 1.00 0.00 C ATOM 506 O ALA A 36 6.593 4.185 -6.014 1.00 0.00 O ATOM 507 CB ALA A 36 9.283 2.792 -7.140 1.00 0.00 C ATOM 0 H ALA A 36 8.960 2.289 -4.054 1.00 0.00 H new ATOM 0 HA ALA A 36 9.722 3.908 -5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.627 3.573 -7.818 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.091 2.082 -6.964 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.434 2.273 -7.585 1.00 0.00 H new ATOM 513 N TYR A 37 8.227 5.711 -6.282 1.00 0.00 N ATOM 514 CA TYR A 37 7.309 6.822 -6.517 1.00 0.00 C ATOM 515 C TYR A 37 8.020 8.159 -6.325 1.00 0.00 C ATOM 516 O TYR A 37 7.870 9.078 -7.130 1.00 0.00 O ATOM 517 CB TYR A 37 6.104 6.725 -5.578 1.00 0.00 C ATOM 518 CG TYR A 37 5.384 8.040 -5.373 1.00 0.00 C ATOM 519 CD1 TYR A 37 4.372 8.441 -6.236 1.00 0.00 C ATOM 520 CD2 TYR A 37 5.715 8.880 -4.316 1.00 0.00 C ATOM 521 CE1 TYR A 37 3.711 9.641 -6.053 1.00 0.00 C ATOM 522 CE2 TYR A 37 5.058 10.082 -4.126 1.00 0.00 C ATOM 523 CZ TYR A 37 4.058 10.457 -4.997 1.00 0.00 C ATOM 524 OH TYR A 37 3.402 11.653 -4.811 1.00 0.00 O ATOM 0 H TYR A 37 9.214 5.967 -6.313 1.00 0.00 H new ATOM 0 HA TYR A 37 6.957 6.763 -7.547 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.401 5.995 -5.978 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.438 6.349 -4.611 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.097 7.804 -7.064 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.498 8.589 -3.632 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.927 9.938 -6.734 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.327 10.723 -3.300 1.00 0.00 H new ATOM 0 HH TYR A 37 3.766 12.106 -4.022 1.00 0.00 H new ATOM 534 N PRO A 38 8.805 8.279 -5.243 1.00 0.00 N ATOM 535 CA PRO A 38 9.551 9.503 -4.920 1.00 0.00 C ATOM 536 C PRO A 38 10.704 9.762 -5.878 1.00 0.00 C ATOM 537 O PRO A 38 11.495 10.686 -5.688 1.00 0.00 O ATOM 538 CB PRO A 38 10.097 9.235 -3.515 1.00 0.00 C ATOM 539 CG PRO A 38 9.357 8.037 -3.018 1.00 0.00 C ATOM 540 CD PRO A 38 9.022 7.235 -4.238 1.00 0.00 C ATOM 0 HA PRO A 38 8.913 10.384 -4.992 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.171 9.050 -3.541 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.937 10.093 -2.862 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.968 7.459 -2.325 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.455 8.329 -2.481 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.832 6.562 -4.518 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.134 6.621 -4.090 1.00 0.00 H new ATOM 548 N THR A 39 10.790 8.933 -6.896 1.00 0.00 N ATOM 549 CA THR A 39 11.846 9.042 -7.898 1.00 0.00 C ATOM 550 C THR A 39 13.160 8.489 -7.354 1.00 0.00 C ATOM 551 O THR A 39 14.223 9.080 -7.546 1.00 0.00 O ATOM 552 CB THR A 39 12.031 10.501 -8.322 1.00 0.00 C ATOM 553 OG1 THR A 39 10.788 11.181 -8.341 1.00 0.00 O ATOM 554 CG2 THR A 39 12.657 10.651 -9.693 1.00 0.00 C ATOM 0 H THR A 39 10.137 8.166 -7.058 1.00 0.00 H new ATOM 0 HA THR A 39 11.552 8.455 -8.768 1.00 0.00 H new ATOM 0 HB THR A 39 12.705 10.933 -7.582 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.929 12.112 -8.613 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.760 11.709 -9.932 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.640 10.181 -9.697 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.022 10.171 -10.437 1.00 0.00 H new ATOM 562 N PRO A 40 13.098 7.344 -6.659 1.00 0.00 N ATOM 563 CA PRO A 40 14.278 6.702 -6.069 1.00 0.00 C ATOM 564 C PRO A 40 15.321 6.301 -7.109 1.00 0.00 C ATOM 565 O PRO A 40 15.323 5.171 -7.598 1.00 0.00 O ATOM 566 CB PRO A 40 13.709 5.456 -5.379 1.00 0.00 C ATOM 567 CG PRO A 40 12.383 5.228 -6.020 1.00 0.00 C ATOM 568 CD PRO A 40 11.867 6.589 -6.383 1.00 0.00 C ATOM 0 HA PRO A 40 14.801 7.380 -5.395 1.00 0.00 H new ATOM 0 HB2 PRO A 40 14.365 4.596 -5.514 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.606 5.612 -4.305 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.479 4.597 -6.904 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.701 4.720 -5.338 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.211 6.554 -7.253 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.294 7.034 -5.570 1.00 0.00 H new ATOM 576 N LEU A 41 16.216 7.229 -7.430 1.00 0.00 N ATOM 577 CA LEU A 41 17.277 6.967 -8.397 1.00 0.00 C ATOM 578 C LEU A 41 18.343 6.074 -7.774 1.00 0.00 C ATOM 579 O LEU A 41 19.440 6.531 -7.455 1.00 0.00 O ATOM 580 CB LEU A 41 17.910 8.282 -8.861 1.00 0.00 C ATOM 581 CG LEU A 41 18.261 8.351 -10.348 1.00 0.00 C ATOM 582 CD1 LEU A 41 17.988 9.745 -10.892 1.00 0.00 C ATOM 583 CD2 LEU A 41 19.716 7.967 -10.572 1.00 0.00 C ATOM 0 H LEU A 41 16.228 8.169 -7.035 1.00 0.00 H new ATOM 0 HA LEU A 41 16.844 6.460 -9.259 1.00 0.00 H new ATOM 0 HB2 LEU A 41 17.225 9.097 -8.628 1.00 0.00 H new ATOM 0 HB3 LEU A 41 18.818 8.453 -8.282 1.00 0.00 H new ATOM 0 HG LEU A 41 17.632 7.640 -10.885 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.243 9.779 -11.951 1.00 0.00 H new ATOM 0 HD12 LEU A 41 16.932 9.985 -10.765 1.00 0.00 H new ATOM 0 HD13 LEU A 41 18.593 10.472 -10.350 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.947 8.022 -11.636 1.00 0.00 H new ATOM 0 HD22 LEU A 41 20.362 8.653 -10.024 1.00 0.00 H new ATOM 0 HD23 LEU A 41 19.883 6.950 -10.217 1.00 0.00 H new ATOM 595 N ARG A 42 18.005 4.803 -7.583 1.00 0.00 N ATOM 596 CA ARG A 42 18.925 3.850 -6.976 1.00 0.00 C ATOM 597 C ARG A 42 18.809 3.915 -5.455 1.00 0.00 C ATOM 598 O ARG A 42 17.737 4.201 -4.923 1.00 0.00 O ATOM 599 CB ARG A 42 20.364 4.142 -7.412 1.00 0.00 C ATOM 600 CG ARG A 42 21.130 2.906 -7.854 1.00 0.00 C ATOM 601 CD ARG A 42 21.451 2.951 -9.340 1.00 0.00 C ATOM 602 NE ARG A 42 22.810 2.490 -9.620 1.00 0.00 N ATOM 603 CZ ARG A 42 23.825 3.300 -9.916 1.00 0.00 C ATOM 604 NH1 ARG A 42 23.638 4.611 -9.994 1.00 0.00 N ATOM 605 NH2 ARG A 42 25.031 2.797 -10.139 1.00 0.00 N ATOM 0 H ARG A 42 17.100 4.410 -7.840 1.00 0.00 H new ATOM 0 HA ARG A 42 18.662 2.846 -7.310 1.00 0.00 H new ATOM 0 HB2 ARG A 42 20.347 4.861 -8.231 1.00 0.00 H new ATOM 0 HB3 ARG A 42 20.896 4.613 -6.586 1.00 0.00 H new ATOM 0 HG2 ARG A 42 22.055 2.827 -7.283 1.00 0.00 H new ATOM 0 HG3 ARG A 42 20.542 2.015 -7.634 1.00 0.00 H new ATOM 0 HD2 ARG A 42 20.738 2.331 -9.884 1.00 0.00 H new ATOM 0 HD3 ARG A 42 21.331 3.971 -9.706 1.00 0.00 H new ATOM 0 HE ARG A 42 22.992 1.487 -9.587 1.00 0.00 H new ATOM 0 HH11 ARG A 42 22.712 5.005 -9.827 1.00 0.00 H new ATOM 0 HH12 ARG A 42 24.420 5.225 -10.221 1.00 0.00 H new ATOM 0 HH21 ARG A 42 25.182 1.790 -10.084 1.00 0.00 H new ATOM 0 HH22 ARG A 42 25.808 3.417 -10.366 1.00 0.00 H new ATOM 619 N SER A 43 19.909 3.656 -4.758 1.00 0.00 N ATOM 620 CA SER A 43 19.909 3.697 -3.301 1.00 0.00 C ATOM 621 C SER A 43 20.491 5.015 -2.797 1.00 0.00 C ATOM 622 O SER A 43 21.575 5.042 -2.214 1.00 0.00 O ATOM 623 CB SER A 43 20.705 2.522 -2.734 1.00 0.00 C ATOM 624 OG SER A 43 22.089 2.820 -2.682 1.00 0.00 O ATOM 0 H SER A 43 20.808 3.416 -5.176 1.00 0.00 H new ATOM 0 HA SER A 43 18.877 3.621 -2.960 1.00 0.00 H new ATOM 0 HB2 SER A 43 20.344 2.283 -1.734 1.00 0.00 H new ATOM 0 HB3 SER A 43 20.543 1.638 -3.351 1.00 0.00 H new ATOM 0 HG SER A 43 22.243 3.550 -2.046 1.00 0.00 H new ATOM 630 N LYS A 44 19.767 6.106 -3.029 1.00 0.00 N ATOM 631 CA LYS A 44 20.214 7.428 -2.602 1.00 0.00 C ATOM 632 C LYS A 44 19.272 8.018 -1.559 1.00 0.00 C ATOM 633 O LYS A 44 18.876 9.180 -1.656 1.00 0.00 O ATOM 634 CB LYS A 44 20.306 8.368 -3.804 1.00 0.00 C ATOM 635 CG LYS A 44 21.489 8.083 -4.714 1.00 0.00 C ATOM 636 CD LYS A 44 22.002 9.352 -5.371 1.00 0.00 C ATOM 637 CE LYS A 44 23.103 9.054 -6.375 1.00 0.00 C ATOM 638 NZ LYS A 44 23.237 10.134 -7.390 1.00 0.00 N ATOM 0 H LYS A 44 18.868 6.101 -3.511 1.00 0.00 H new ATOM 0 HA LYS A 44 21.200 7.318 -2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 44 19.386 8.292 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 44 20.374 9.395 -3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 44 22.290 7.621 -4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 44 21.195 7.367 -5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 44 21.179 9.861 -5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 44 22.379 10.032 -4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 44 24.050 8.931 -5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 44 22.891 8.109 -6.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 23.998 9.892 -8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 22.342 10.235 -7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 23.464 11.031 -6.915 1.00 0.00 H new ATOM 652 N LYS A 45 18.918 7.216 -0.562 1.00 0.00 N ATOM 653 CA LYS A 45 18.023 7.669 0.497 1.00 0.00 C ATOM 654 C LYS A 45 17.557 6.500 1.358 1.00 0.00 C ATOM 655 O LYS A 45 16.359 6.309 1.566 1.00 0.00 O ATOM 656 CB LYS A 45 16.814 8.390 -0.101 1.00 0.00 C ATOM 657 CG LYS A 45 16.586 9.778 0.476 1.00 0.00 C ATOM 658 CD LYS A 45 16.519 10.834 -0.615 1.00 0.00 C ATOM 659 CE LYS A 45 16.445 12.235 -0.028 1.00 0.00 C ATOM 660 NZ LYS A 45 15.483 13.099 -0.767 1.00 0.00 N ATOM 0 H LYS A 45 19.236 6.252 -0.464 1.00 0.00 H new ATOM 0 HA LYS A 45 18.576 8.363 1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 45 16.947 8.472 -1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.922 7.786 0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 45 15.659 9.787 1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.391 10.021 1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.396 10.753 -1.256 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.647 10.655 -1.244 1.00 0.00 H new ATOM 0 HE2 LYS A 45 16.148 12.174 1.019 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.435 12.691 -0.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.463 14.045 -0.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.780 13.179 -1.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.533 12.678 -0.722 1.00 0.00 H new ATOM 674 N THR A 46 18.510 5.720 1.858 1.00 0.00 N ATOM 675 CA THR A 46 18.194 4.570 2.698 1.00 0.00 C ATOM 676 C THR A 46 17.359 3.552 1.928 1.00 0.00 C ATOM 677 O THR A 46 16.247 3.212 2.332 1.00 0.00 O ATOM 678 CB THR A 46 17.445 5.021 3.953 1.00 0.00 C ATOM 679 OG1 THR A 46 17.301 6.431 3.972 1.00 0.00 O ATOM 680 CG2 THR A 46 18.131 4.611 5.239 1.00 0.00 C ATOM 0 H THR A 46 19.507 5.863 1.696 1.00 0.00 H new ATOM 0 HA THR A 46 19.130 4.096 2.995 1.00 0.00 H new ATOM 0 HB THR A 46 16.475 4.526 3.904 1.00 0.00 H new ATOM 0 HG1 THR A 46 16.818 6.700 4.781 1.00 0.00 H new ATOM 0 HG21 THR A 46 17.548 4.962 6.090 1.00 0.00 H new ATOM 0 HG22 THR A 46 18.212 3.525 5.278 1.00 0.00 H new ATOM 0 HG23 THR A 46 19.128 5.051 5.276 1.00 0.00 H new ATOM 688 N MET A 47 17.904 3.070 0.816 1.00 0.00 N ATOM 689 CA MET A 47 17.213 2.091 -0.017 1.00 0.00 C ATOM 690 C MET A 47 18.128 0.916 -0.342 1.00 0.00 C ATOM 691 O MET A 47 18.677 0.830 -1.440 1.00 0.00 O ATOM 692 CB MET A 47 16.729 2.746 -1.311 1.00 0.00 C ATOM 693 CG MET A 47 15.349 3.370 -1.197 1.00 0.00 C ATOM 694 SD MET A 47 14.163 2.647 -2.347 1.00 0.00 S ATOM 695 CE MET A 47 12.752 2.401 -1.272 1.00 0.00 C ATOM 0 H MET A 47 18.824 3.342 0.470 1.00 0.00 H new ATOM 0 HA MET A 47 16.353 1.718 0.538 1.00 0.00 H new ATOM 0 HB2 MET A 47 17.443 3.514 -1.609 1.00 0.00 H new ATOM 0 HB3 MET A 47 16.716 1.998 -2.104 1.00 0.00 H new ATOM 0 HG2 MET A 47 14.982 3.248 -0.178 1.00 0.00 H new ATOM 0 HG3 MET A 47 15.422 4.442 -1.383 1.00 0.00 H new ATOM 0 HE1 MET A 47 11.934 1.959 -1.841 1.00 0.00 H new ATOM 0 HE2 MET A 47 13.029 1.734 -0.456 1.00 0.00 H new ATOM 0 HE3 MET A 47 12.433 3.360 -0.865 1.00 0.00 H new ATOM 705 N LEU A 48 18.294 0.015 0.623 1.00 0.00 N ATOM 706 CA LEU A 48 19.150 -1.151 0.438 1.00 0.00 C ATOM 707 C LEU A 48 18.345 -2.447 0.502 1.00 0.00 C ATOM 708 O LEU A 48 18.883 -3.504 0.833 1.00 0.00 O ATOM 709 CB LEU A 48 20.251 -1.171 1.500 1.00 0.00 C ATOM 710 CG LEU A 48 21.548 -0.461 1.107 1.00 0.00 C ATOM 711 CD1 LEU A 48 22.128 -1.069 -0.161 1.00 0.00 C ATOM 712 CD2 LEU A 48 21.303 1.030 0.922 1.00 0.00 C ATOM 0 H LEU A 48 17.848 0.071 1.539 1.00 0.00 H new ATOM 0 HA LEU A 48 19.602 -1.080 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 48 19.865 -0.711 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 48 20.482 -2.209 1.741 1.00 0.00 H new ATOM 0 HG LEU A 48 22.271 -0.594 1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 48 23.050 -0.551 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 48 22.340 -2.125 0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 48 21.410 -0.968 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 48 22.236 1.520 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 48 20.563 1.182 0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 48 20.934 1.457 1.855 1.00 0.00 H new ATOM 724 N VAL A 49 17.058 -2.364 0.180 1.00 0.00 N ATOM 725 CA VAL A 49 16.190 -3.536 0.202 1.00 0.00 C ATOM 726 C VAL A 49 16.413 -4.407 -1.032 1.00 0.00 C ATOM 727 O VAL A 49 16.709 -3.899 -2.114 1.00 0.00 O ATOM 728 CB VAL A 49 14.704 -3.135 0.270 1.00 0.00 C ATOM 729 CG1 VAL A 49 14.443 -2.255 1.482 1.00 0.00 C ATOM 730 CG2 VAL A 49 14.282 -2.430 -1.010 1.00 0.00 C ATOM 0 H VAL A 49 16.594 -1.499 -0.099 1.00 0.00 H new ATOM 0 HA VAL A 49 16.447 -4.103 1.097 1.00 0.00 H new ATOM 0 HB VAL A 49 14.107 -4.041 0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 49 13.388 -1.982 1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 49 14.704 -2.799 2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 49 15.050 -1.352 1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 49 13.230 -2.154 -0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 49 14.884 -1.532 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 49 14.429 -3.098 -1.859 1.00 0.00 H new ATOM 740 N GLN A 50 16.273 -5.719 -0.863 1.00 0.00 N ATOM 741 CA GLN A 50 16.463 -6.654 -1.966 1.00 0.00 C ATOM 742 C GLN A 50 15.128 -7.226 -2.436 1.00 0.00 C ATOM 743 O GLN A 50 14.208 -7.417 -1.641 1.00 0.00 O ATOM 744 CB GLN A 50 17.392 -7.795 -1.546 1.00 0.00 C ATOM 745 CG GLN A 50 18.480 -7.374 -0.572 1.00 0.00 C ATOM 746 CD GLN A 50 18.895 -8.498 0.357 1.00 0.00 C ATOM 747 OE1 GLN A 50 18.406 -9.622 0.247 1.00 0.00 O ATOM 748 NE2 GLN A 50 19.801 -8.199 1.280 1.00 0.00 N ATOM 0 H GLN A 50 16.029 -6.157 0.025 1.00 0.00 H new ATOM 0 HA GLN A 50 16.917 -6.106 -2.792 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.797 -8.587 -1.091 1.00 0.00 H new ATOM 0 HB3 GLN A 50 17.858 -8.218 -2.436 1.00 0.00 H new ATOM 0 HG2 GLN A 50 19.350 -7.029 -1.131 1.00 0.00 H new ATOM 0 HG3 GLN A 50 18.126 -6.530 0.020 1.00 0.00 H new ATOM 0 HE21 GLN A 50 20.180 -7.254 1.335 1.00 0.00 H new ATOM 0 HE22 GLN A 50 20.118 -8.915 1.934 1.00 0.00 H new ATOM 757 N LYS A 51 15.035 -7.503 -3.733 1.00 0.00 N ATOM 758 CA LYS A 51 13.819 -8.061 -4.315 1.00 0.00 C ATOM 759 C LYS A 51 12.661 -7.072 -4.231 1.00 0.00 C ATOM 760 O LYS A 51 12.826 -5.939 -3.777 1.00 0.00 O ATOM 761 CB LYS A 51 13.443 -9.365 -3.611 1.00 0.00 C ATOM 762 CG LYS A 51 13.990 -10.606 -4.298 1.00 0.00 C ATOM 763 CD LYS A 51 15.501 -10.697 -4.167 1.00 0.00 C ATOM 764 CE LYS A 51 16.158 -10.967 -5.511 1.00 0.00 C ATOM 765 NZ LYS A 51 17.104 -9.883 -5.895 1.00 0.00 N ATOM 0 H LYS A 51 15.789 -7.350 -4.402 1.00 0.00 H new ATOM 0 HA LYS A 51 14.017 -8.266 -5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.812 -9.335 -2.586 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.357 -9.439 -3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.532 -11.495 -3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.716 -10.589 -5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.888 -9.767 -3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 51 15.760 -11.492 -3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 51 16.692 -11.917 -5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.389 -11.066 -6.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 17.531 -10.105 -6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.591 -8.981 -5.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 17.852 -9.805 -5.177 1.00 0.00 H new ATOM 779 N ASN A 52 11.488 -7.511 -4.677 1.00 0.00 N ATOM 780 CA ASN A 52 10.294 -6.674 -4.659 1.00 0.00 C ATOM 781 C ASN A 52 10.005 -6.158 -3.254 1.00 0.00 C ATOM 782 O ASN A 52 9.854 -6.938 -2.315 1.00 0.00 O ATOM 783 CB ASN A 52 9.091 -7.462 -5.180 1.00 0.00 C ATOM 784 CG ASN A 52 8.963 -8.823 -4.522 1.00 0.00 C ATOM 785 OD1 ASN A 52 9.900 -9.301 -3.883 1.00 0.00 O ATOM 786 ND2 ASN A 52 7.798 -9.449 -4.678 1.00 0.00 N ATOM 0 H ASN A 52 11.339 -8.446 -5.057 1.00 0.00 H new ATOM 0 HA ASN A 52 10.474 -5.817 -5.308 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.181 -6.889 -5.004 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.183 -7.590 -6.259 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.052 -9.010 -5.217 1.00 0.00 H new ATOM 791 N VAL A 53 9.921 -4.838 -3.119 1.00 0.00 N ATOM 792 CA VAL A 53 9.640 -4.220 -1.829 1.00 0.00 C ATOM 793 C VAL A 53 8.227 -4.555 -1.366 1.00 0.00 C ATOM 794 O VAL A 53 7.249 -4.037 -1.906 1.00 0.00 O ATOM 795 CB VAL A 53 9.797 -2.690 -1.888 1.00 0.00 C ATOM 796 CG1 VAL A 53 11.259 -2.295 -1.748 1.00 0.00 C ATOM 797 CG2 VAL A 53 9.209 -2.139 -3.179 1.00 0.00 C ATOM 0 H VAL A 53 10.043 -4.177 -3.886 1.00 0.00 H new ATOM 0 HA VAL A 53 10.364 -4.621 -1.120 1.00 0.00 H new ATOM 0 HB VAL A 53 9.247 -2.257 -1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.348 -1.210 -1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.642 -2.652 -0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 53 11.835 -2.740 -2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.330 -1.056 -3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 53 9.726 -2.579 -4.031 1.00 0.00 H new ATOM 0 HG23 VAL A 53 8.149 -2.387 -3.231 1.00 0.00 H new ATOM 807 N THR A 54 8.125 -5.425 -0.368 1.00 0.00 N ATOM 808 CA THR A 54 6.828 -5.828 0.160 1.00 0.00 C ATOM 809 C THR A 54 6.952 -6.324 1.597 1.00 0.00 C ATOM 810 O THR A 54 7.215 -7.503 1.837 1.00 0.00 O ATOM 811 CB THR A 54 6.219 -6.923 -0.717 1.00 0.00 C ATOM 812 OG1 THR A 54 6.795 -8.182 -0.418 1.00 0.00 O ATOM 813 CG2 THR A 54 6.403 -6.674 -2.199 1.00 0.00 C ATOM 0 H THR A 54 8.923 -5.864 0.091 1.00 0.00 H new ATOM 0 HA THR A 54 6.174 -4.956 0.153 1.00 0.00 H new ATOM 0 HB THR A 54 5.152 -6.913 -0.493 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.635 -8.399 0.524 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.948 -7.488 -2.764 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.927 -5.732 -2.472 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.467 -6.622 -2.430 1.00 0.00 H new ATOM 821 N SER A 55 6.759 -5.418 2.550 1.00 0.00 N ATOM 822 CA SER A 55 6.847 -5.764 3.964 1.00 0.00 C ATOM 823 C SER A 55 8.298 -5.783 4.436 1.00 0.00 C ATOM 824 O SER A 55 9.031 -6.739 4.183 1.00 0.00 O ATOM 825 CB SER A 55 6.194 -7.123 4.221 1.00 0.00 C ATOM 826 OG SER A 55 7.152 -8.079 4.640 1.00 0.00 O ATOM 0 H SER A 55 6.541 -4.438 2.369 1.00 0.00 H new ATOM 0 HA SER A 55 6.314 -5.000 4.530 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.421 -7.020 4.983 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.702 -7.471 3.313 1.00 0.00 H new ATOM 0 HG SER A 55 7.979 -7.960 4.128 1.00 0.00 H new ATOM 832 N GLU A 56 8.699 -4.723 5.130 1.00 0.00 N ATOM 833 CA GLU A 56 10.058 -4.611 5.651 1.00 0.00 C ATOM 834 C GLU A 56 10.054 -3.859 6.978 1.00 0.00 C ATOM 835 O GLU A 56 10.476 -4.388 8.007 1.00 0.00 O ATOM 836 CB GLU A 56 10.973 -3.896 4.648 1.00 0.00 C ATOM 837 CG GLU A 56 10.293 -3.527 3.336 1.00 0.00 C ATOM 838 CD GLU A 56 10.548 -2.088 2.930 1.00 0.00 C ATOM 839 OE1 GLU A 56 11.665 -1.587 3.181 1.00 0.00 O ATOM 840 OE2 GLU A 56 9.630 -1.461 2.359 1.00 0.00 O ATOM 0 H GLU A 56 8.100 -3.926 5.346 1.00 0.00 H new ATOM 0 HA GLU A 56 10.443 -5.618 5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.362 -2.989 5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.829 -4.536 4.433 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.648 -4.191 2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.219 -3.689 3.430 1.00 0.00 H new ATOM 847 N SER A 57 9.561 -2.625 6.943 1.00 0.00 N ATOM 848 CA SER A 57 9.480 -1.789 8.137 1.00 0.00 C ATOM 849 C SER A 57 8.073 -1.219 8.285 1.00 0.00 C ATOM 850 O SER A 57 7.183 -1.874 8.826 1.00 0.00 O ATOM 851 CB SER A 57 10.505 -0.656 8.065 1.00 0.00 C ATOM 852 OG SER A 57 10.674 -0.207 6.732 1.00 0.00 O ATOM 0 H SER A 57 9.209 -2.179 6.096 1.00 0.00 H new ATOM 0 HA SER A 57 9.703 -2.404 9.009 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.180 0.173 8.693 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.461 -1.000 8.460 1.00 0.00 H new ATOM 0 HG SER A 57 11.333 0.518 6.712 1.00 0.00 H new ATOM 858 N THR A 58 7.869 -0.006 7.780 1.00 0.00 N ATOM 859 CA THR A 58 6.559 0.629 7.839 1.00 0.00 C ATOM 860 C THR A 58 5.750 0.250 6.607 1.00 0.00 C ATOM 861 O THR A 58 6.290 0.177 5.504 1.00 0.00 O ATOM 862 CB THR A 58 6.691 2.150 7.920 1.00 0.00 C ATOM 863 OG1 THR A 58 7.929 2.575 7.380 1.00 0.00 O ATOM 864 CG2 THR A 58 6.593 2.690 9.331 1.00 0.00 C ATOM 0 H THR A 58 8.591 0.554 7.327 1.00 0.00 H new ATOM 0 HA THR A 58 6.048 0.280 8.736 1.00 0.00 H new ATOM 0 HB THR A 58 5.853 2.542 7.343 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.994 3.551 7.439 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.695 3.775 9.313 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.625 2.423 9.756 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.388 2.261 9.941 1.00 0.00 H new ATOM 872 N CYS A 59 4.461 0.002 6.794 1.00 0.00 N ATOM 873 CA CYS A 59 3.603 -0.378 5.680 1.00 0.00 C ATOM 874 C CYS A 59 2.128 -0.225 6.029 1.00 0.00 C ATOM 875 O CYS A 59 1.684 -0.642 7.098 1.00 0.00 O ATOM 876 CB CYS A 59 3.893 -1.820 5.260 1.00 0.00 C ATOM 877 SG CYS A 59 5.019 -2.709 6.384 1.00 0.00 S ATOM 0 H CYS A 59 3.990 0.056 7.697 1.00 0.00 H new ATOM 0 HA CYS A 59 3.822 0.293 4.850 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.952 -2.366 5.199 1.00 0.00 H new ATOM 0 HB3 CYS A 59 4.324 -1.816 4.259 1.00 0.00 H new ATOM 882 N CYS A 60 1.374 0.370 5.111 1.00 0.00 N ATOM 883 CA CYS A 60 -0.055 0.576 5.307 1.00 0.00 C ATOM 884 C CYS A 60 -0.857 -0.446 4.508 1.00 0.00 C ATOM 885 O CYS A 60 -1.535 -0.099 3.542 1.00 0.00 O ATOM 886 CB CYS A 60 -0.449 1.994 4.886 1.00 0.00 C ATOM 887 SG CYS A 60 -1.089 3.021 6.246 1.00 0.00 S ATOM 0 H CYS A 60 1.731 0.719 4.221 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.279 0.446 6.366 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.420 2.487 4.450 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.206 1.932 4.104 1.00 0.00 H new ATOM 892 N VAL A 61 -0.767 -1.709 4.914 1.00 0.00 N ATOM 893 CA VAL A 61 -1.478 -2.781 4.228 1.00 0.00 C ATOM 894 C VAL A 61 -2.957 -2.800 4.598 1.00 0.00 C ATOM 895 O VAL A 61 -3.466 -3.805 5.091 1.00 0.00 O ATOM 896 CB VAL A 61 -0.861 -4.158 4.542 1.00 0.00 C ATOM 897 CG1 VAL A 61 0.555 -4.246 3.995 1.00 0.00 C ATOM 898 CG2 VAL A 61 -0.878 -4.429 6.039 1.00 0.00 C ATOM 0 H VAL A 61 -0.210 -2.014 5.712 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.383 -2.582 3.160 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.465 -4.922 4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.974 -5.225 4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.537 -4.105 2.914 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.170 -3.471 4.452 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.438 -5.406 6.237 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.302 -3.660 6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.906 -4.415 6.400 1.00 0.00 H new ATOM 908 N ALA A 62 -3.642 -1.687 4.342 1.00 0.00 N ATOM 909 CA ALA A 62 -5.069 -1.575 4.634 1.00 0.00 C ATOM 910 C ALA A 62 -5.448 -2.309 5.919 1.00 0.00 C ATOM 911 O ALA A 62 -5.429 -3.539 5.973 1.00 0.00 O ATOM 912 CB ALA A 62 -5.878 -2.109 3.462 1.00 0.00 C ATOM 0 H ALA A 62 -3.230 -0.849 3.932 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.298 -0.520 4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.942 -2.023 3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.647 -1.531 2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.626 -3.156 3.293 1.00 0.00 H new ATOM 918 N LYS A 63 -5.824 -1.550 6.945 1.00 0.00 N ATOM 919 CA LYS A 63 -6.236 -2.130 8.212 1.00 0.00 C ATOM 920 C LYS A 63 -7.348 -3.121 7.958 1.00 0.00 C ATOM 921 O LYS A 63 -7.381 -4.217 8.519 1.00 0.00 O ATOM 922 CB LYS A 63 -6.732 -1.037 9.154 1.00 0.00 C ATOM 923 CG LYS A 63 -7.009 -1.534 10.562 1.00 0.00 C ATOM 924 CD LYS A 63 -8.250 -0.883 11.151 1.00 0.00 C ATOM 925 CE LYS A 63 -8.091 -0.623 12.640 1.00 0.00 C ATOM 926 NZ LYS A 63 -9.237 -1.163 13.422 1.00 0.00 N ATOM 0 H LYS A 63 -5.851 -0.531 6.920 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.386 -2.632 8.674 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.989 -0.241 9.197 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.643 -0.601 8.745 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.137 -2.616 10.548 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.150 -1.323 11.199 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.448 0.057 10.636 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.114 -1.526 10.983 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.165 -1.078 12.991 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.005 0.450 12.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.091 -0.966 14.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.118 -0.711 13.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.303 -2.191 13.276 1.00 0.00 H new ATOM 940 N SER A 64 -8.246 -2.718 7.077 1.00 0.00 N ATOM 941 CA SER A 64 -9.368 -3.545 6.688 1.00 0.00 C ATOM 942 C SER A 64 -9.579 -3.433 5.192 1.00 0.00 C ATOM 943 O SER A 64 -9.960 -2.383 4.682 1.00 0.00 O ATOM 944 CB SER A 64 -10.638 -3.142 7.433 1.00 0.00 C ATOM 945 OG SER A 64 -10.640 -3.650 8.756 1.00 0.00 O ATOM 0 H SER A 64 -8.216 -1.810 6.613 1.00 0.00 H new ATOM 0 HA SER A 64 -9.145 -4.579 6.950 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.719 -2.055 7.458 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.511 -3.514 6.897 1.00 0.00 H new ATOM 0 HG SER A 64 -11.464 -3.376 9.211 1.00 0.00 H new ATOM 951 N TYR A 65 -9.298 -4.517 4.499 1.00 0.00 N ATOM 952 CA TYR A 65 -9.421 -4.557 3.053 1.00 0.00 C ATOM 953 C TYR A 65 -10.668 -5.290 2.612 1.00 0.00 C ATOM 954 O TYR A 65 -11.235 -6.091 3.355 1.00 0.00 O ATOM 955 CB TYR A 65 -8.209 -5.260 2.455 1.00 0.00 C ATOM 956 CG TYR A 65 -7.629 -6.322 3.355 1.00 0.00 C ATOM 957 CD1 TYR A 65 -8.158 -7.605 3.370 1.00 0.00 C ATOM 958 CD2 TYR A 65 -6.552 -6.044 4.183 1.00 0.00 C ATOM 959 CE1 TYR A 65 -7.629 -8.583 4.188 1.00 0.00 C ATOM 960 CE2 TYR A 65 -6.015 -7.016 5.005 1.00 0.00 C ATOM 961 CZ TYR A 65 -6.557 -8.285 5.004 1.00 0.00 C ATOM 962 OH TYR A 65 -6.026 -9.257 5.820 1.00 0.00 O ATOM 0 H TYR A 65 -8.980 -5.391 4.917 1.00 0.00 H new ATOM 0 HA TYR A 65 -9.483 -3.527 2.703 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -8.493 -5.714 1.506 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.440 -4.519 2.236 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -8.996 -7.842 2.732 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.126 -5.052 4.185 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.052 -9.577 4.189 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.176 -6.784 5.644 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.276 -8.883 6.328 1.00 0.00 H new ATOM 972 N ASN A 66 -11.052 -5.046 1.371 1.00 0.00 N ATOM 973 CA ASN A 66 -12.198 -5.722 0.786 1.00 0.00 C ATOM 974 C ASN A 66 -11.758 -6.311 -0.528 1.00 0.00 C ATOM 975 O ASN A 66 -12.517 -6.432 -1.488 1.00 0.00 O ATOM 976 CB ASN A 66 -13.369 -4.772 0.591 1.00 0.00 C ATOM 977 CG ASN A 66 -14.524 -5.068 1.528 1.00 0.00 C ATOM 978 OD1 ASN A 66 -14.564 -4.579 2.657 1.00 0.00 O ATOM 979 ND2 ASN A 66 -15.471 -5.874 1.063 1.00 0.00 N ATOM 0 H ASN A 66 -10.587 -4.385 0.749 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.547 -6.506 1.458 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -13.031 -3.748 0.749 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -13.717 -4.837 -0.440 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -16.272 -6.110 1.648 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.397 -6.257 0.120 1.00 0.00 H new ATOM 986 N ARG A 67 -10.490 -6.656 -0.520 1.00 0.00 N ATOM 987 CA ARG A 67 -9.801 -7.239 -1.659 1.00 0.00 C ATOM 988 C ARG A 67 -10.772 -7.748 -2.704 1.00 0.00 C ATOM 989 O ARG A 67 -11.460 -8.750 -2.511 1.00 0.00 O ATOM 990 CB ARG A 67 -8.909 -8.377 -1.197 1.00 0.00 C ATOM 991 CG ARG A 67 -9.629 -9.307 -0.260 1.00 0.00 C ATOM 992 CD ARG A 67 -9.327 -10.761 -0.575 1.00 0.00 C ATOM 993 NE ARG A 67 -9.365 -11.603 0.616 1.00 0.00 N ATOM 994 CZ ARG A 67 -9.053 -12.895 0.611 1.00 0.00 C ATOM 995 NH1 ARG A 67 -8.677 -13.482 -0.517 1.00 0.00 N ATOM 996 NH2 ARG A 67 -9.117 -13.600 1.732 1.00 0.00 N ATOM 0 H ARG A 67 -9.891 -6.538 0.297 1.00 0.00 H new ATOM 0 HA ARG A 67 -9.197 -6.455 -2.115 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.555 -8.936 -2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.029 -7.970 -0.700 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.336 -9.088 0.767 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.703 -9.135 -0.329 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.050 -11.131 -1.302 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.343 -10.834 -1.038 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.646 -11.177 1.499 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.627 -12.942 -1.381 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.438 -14.473 -0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.406 -13.151 2.601 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.877 -14.591 1.725 1.00 0.00 H new ATOM 1010 N VAL A 68 -10.793 -7.053 -3.816 1.00 0.00 N ATOM 1011 CA VAL A 68 -11.645 -7.410 -4.935 1.00 0.00 C ATOM 1012 C VAL A 68 -10.795 -7.945 -6.070 1.00 0.00 C ATOM 1013 O VAL A 68 -10.975 -7.581 -7.229 1.00 0.00 O ATOM 1014 CB VAL A 68 -12.467 -6.204 -5.432 1.00 0.00 C ATOM 1015 CG1 VAL A 68 -13.164 -5.512 -4.268 1.00 0.00 C ATOM 1016 CG2 VAL A 68 -11.578 -5.222 -6.188 1.00 0.00 C ATOM 0 H VAL A 68 -10.221 -6.223 -3.975 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.342 -8.176 -4.595 1.00 0.00 H new ATOM 0 HB VAL A 68 -13.231 -6.571 -6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -13.739 -4.664 -4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.834 -6.216 -3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -12.419 -5.160 -3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -12.177 -4.378 -6.530 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.789 -4.863 -5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.132 -5.722 -7.047 1.00 0.00 H new ATOM 1026 N THR A 69 -9.853 -8.803 -5.707 1.00 0.00 N ATOM 1027 CA THR A 69 -8.934 -9.398 -6.664 1.00 0.00 C ATOM 1028 C THR A 69 -9.514 -9.406 -8.069 1.00 0.00 C ATOM 1029 O THR A 69 -10.541 -10.034 -8.333 1.00 0.00 O ATOM 1030 CB THR A 69 -8.562 -10.821 -6.259 1.00 0.00 C ATOM 1031 OG1 THR A 69 -7.909 -10.834 -5.001 1.00 0.00 O ATOM 1032 CG2 THR A 69 -7.651 -11.489 -7.266 1.00 0.00 C ATOM 0 H THR A 69 -9.705 -9.105 -4.744 1.00 0.00 H new ATOM 0 HA THR A 69 -8.036 -8.781 -6.663 1.00 0.00 H new ATOM 0 HB THR A 69 -9.500 -11.374 -6.209 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.059 -10.351 -5.069 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.416 -12.499 -6.930 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.150 -11.535 -8.234 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.729 -10.915 -7.360 1.00 0.00 H new ATOM 1040 N VAL A 70 -8.838 -8.710 -8.963 1.00 0.00 N ATOM 1041 CA VAL A 70 -9.258 -8.630 -10.354 1.00 0.00 C ATOM 1042 C VAL A 70 -8.092 -8.867 -11.288 1.00 0.00 C ATOM 1043 O VAL A 70 -7.004 -9.262 -10.869 1.00 0.00 O ATOM 1044 CB VAL A 70 -9.867 -7.261 -10.695 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -11.007 -7.417 -11.689 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -10.342 -6.555 -9.438 1.00 0.00 C ATOM 0 H VAL A 70 -7.988 -8.187 -8.751 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.014 -9.404 -10.487 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.093 -6.647 -11.155 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.426 -6.437 -11.919 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.632 -7.875 -12.604 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.782 -8.051 -11.258 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.769 -5.588 -9.703 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.099 -7.163 -8.943 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.499 -6.406 -8.764 1.00 0.00 H new ATOM 1056 N MET A 71 -8.334 -8.614 -12.559 1.00 0.00 N ATOM 1057 CA MET A 71 -7.319 -8.786 -13.577 1.00 0.00 C ATOM 1058 C MET A 71 -6.714 -10.179 -13.501 1.00 0.00 C ATOM 1059 O MET A 71 -7.428 -11.172 -13.359 1.00 0.00 O ATOM 1060 CB MET A 71 -6.223 -7.733 -13.419 1.00 0.00 C ATOM 1061 CG MET A 71 -6.709 -6.445 -12.794 1.00 0.00 C ATOM 1062 SD MET A 71 -6.484 -5.019 -13.874 1.00 0.00 S ATOM 1063 CE MET A 71 -7.105 -5.672 -15.422 1.00 0.00 C ATOM 0 H MET A 71 -9.233 -8.286 -12.912 1.00 0.00 H new ATOM 0 HA MET A 71 -7.790 -8.663 -14.552 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.421 -8.144 -12.807 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.797 -7.514 -14.398 1.00 0.00 H new ATOM 0 HG2 MET A 71 -7.765 -6.543 -12.544 1.00 0.00 H new ATOM 0 HG3 MET A 71 -6.175 -6.275 -11.859 1.00 0.00 H new ATOM 0 HE1 MET A 71 -6.872 -4.978 -16.229 1.00 0.00 H new ATOM 0 HE2 MET A 71 -6.636 -6.635 -15.625 1.00 0.00 H new ATOM 0 HE3 MET A 71 -8.185 -5.802 -15.355 1.00 0.00 H new ATOM 1073 N GLY A 72 -5.393 -10.246 -13.591 1.00 0.00 N ATOM 1074 CA GLY A 72 -4.713 -11.517 -13.526 1.00 0.00 C ATOM 1075 C GLY A 72 -4.444 -11.961 -12.101 1.00 0.00 C ATOM 1076 O GLY A 72 -3.494 -12.701 -11.844 1.00 0.00 O ATOM 0 H GLY A 72 -4.781 -9.438 -13.708 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.314 -12.273 -14.031 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.769 -11.448 -14.066 1.00 0.00 H new ATOM 1080 N GLY A 73 -5.281 -11.511 -11.171 1.00 0.00 N ATOM 1081 CA GLY A 73 -5.107 -11.880 -9.781 1.00 0.00 C ATOM 1082 C GLY A 73 -4.672 -10.711 -8.921 1.00 0.00 C ATOM 1083 O GLY A 73 -4.035 -10.899 -7.885 1.00 0.00 O ATOM 0 H GLY A 73 -6.075 -10.898 -11.357 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.044 -12.282 -9.395 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.365 -12.675 -9.710 1.00 0.00 H new ATOM 1087 N PHE A 74 -5.023 -9.499 -9.345 1.00 0.00 N ATOM 1088 CA PHE A 74 -4.669 -8.301 -8.595 1.00 0.00 C ATOM 1089 C PHE A 74 -5.316 -8.343 -7.218 1.00 0.00 C ATOM 1090 O PHE A 74 -6.123 -9.226 -6.936 1.00 0.00 O ATOM 1091 CB PHE A 74 -5.122 -7.045 -9.343 1.00 0.00 C ATOM 1092 CG PHE A 74 -4.297 -6.723 -10.559 1.00 0.00 C ATOM 1093 CD1 PHE A 74 -3.612 -7.720 -11.237 1.00 0.00 C ATOM 1094 CD2 PHE A 74 -4.213 -5.421 -11.026 1.00 0.00 C ATOM 1095 CE1 PHE A 74 -2.860 -7.423 -12.358 1.00 0.00 C ATOM 1096 CE2 PHE A 74 -3.464 -5.118 -12.147 1.00 0.00 C ATOM 1097 CZ PHE A 74 -2.786 -6.120 -12.814 1.00 0.00 C ATOM 0 H PHE A 74 -5.550 -9.323 -10.200 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.585 -8.268 -8.484 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.162 -7.170 -9.645 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.089 -6.196 -8.660 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.667 -8.740 -10.885 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.739 -4.633 -10.507 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.331 -8.208 -12.877 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -3.409 -4.099 -12.501 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.199 -5.886 -13.690 1.00 0.00 H new ATOM 1107 N LYS A 75 -4.964 -7.392 -6.359 1.00 0.00 N ATOM 1108 CA LYS A 75 -5.533 -7.348 -5.017 1.00 0.00 C ATOM 1109 C LYS A 75 -5.521 -5.933 -4.450 1.00 0.00 C ATOM 1110 O LYS A 75 -4.525 -5.490 -3.877 1.00 0.00 O ATOM 1111 CB LYS A 75 -4.781 -8.290 -4.067 1.00 0.00 C ATOM 1112 CG LYS A 75 -3.817 -9.243 -4.758 1.00 0.00 C ATOM 1113 CD LYS A 75 -3.911 -10.647 -4.181 1.00 0.00 C ATOM 1114 CE LYS A 75 -4.014 -10.626 -2.664 1.00 0.00 C ATOM 1115 NZ LYS A 75 -5.249 -11.304 -2.184 1.00 0.00 N ATOM 0 H LYS A 75 -4.295 -6.650 -6.564 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.568 -7.679 -5.099 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.225 -7.691 -3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.508 -8.874 -3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.035 -9.272 -5.826 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.798 -8.872 -4.651 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.781 -11.154 -4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.034 -11.222 -4.478 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.140 -11.115 -2.234 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.006 -9.594 -2.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.283 -11.269 -1.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.084 -10.822 -2.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.244 -12.296 -2.497 1.00 0.00 H new ATOM 1129 N VAL A 76 -6.646 -5.238 -4.590 1.00 0.00 N ATOM 1130 CA VAL A 76 -6.780 -3.881 -4.065 1.00 0.00 C ATOM 1131 C VAL A 76 -7.187 -3.933 -2.637 1.00 0.00 C ATOM 1132 O VAL A 76 -7.568 -2.922 -2.046 1.00 0.00 O ATOM 1133 CB VAL A 76 -7.867 -3.088 -4.814 1.00 0.00 C ATOM 1134 CG1 VAL A 76 -7.426 -2.835 -6.247 1.00 0.00 C ATOM 1135 CG2 VAL A 76 -9.149 -3.911 -4.773 1.00 0.00 C ATOM 0 H VAL A 76 -7.478 -5.591 -5.062 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.814 -3.393 -4.191 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.036 -2.118 -4.346 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.199 -2.274 -6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.499 -2.262 -6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.264 -3.788 -6.751 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -9.942 -3.376 -5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.980 -4.873 -5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.444 -4.073 -3.736 1.00 0.00 H new ATOM 1145 N GLU A 77 -7.140 -5.127 -2.105 1.00 0.00 N ATOM 1146 CA GLU A 77 -7.558 -5.348 -0.736 1.00 0.00 C ATOM 1147 C GLU A 77 -8.596 -4.295 -0.440 1.00 0.00 C ATOM 1148 O GLU A 77 -8.591 -3.663 0.611 1.00 0.00 O ATOM 1149 CB GLU A 77 -6.362 -5.231 0.207 1.00 0.00 C ATOM 1150 CG GLU A 77 -6.146 -6.461 1.065 1.00 0.00 C ATOM 1151 CD GLU A 77 -5.213 -7.466 0.418 1.00 0.00 C ATOM 1152 OE1 GLU A 77 -4.009 -7.161 0.292 1.00 0.00 O ATOM 1153 OE2 GLU A 77 -5.687 -8.556 0.034 1.00 0.00 O ATOM 0 H GLU A 77 -6.818 -5.962 -2.594 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.971 -6.347 -0.594 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.463 -5.045 -0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.504 -4.366 0.855 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.737 -6.160 2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.107 -6.936 1.261 1.00 0.00 H new ATOM 1160 N ASN A 78 -9.435 -4.073 -1.454 1.00 0.00 N ATOM 1161 CA ASN A 78 -10.440 -3.034 -1.422 1.00 0.00 C ATOM 1162 C ASN A 78 -10.414 -2.379 -0.063 1.00 0.00 C ATOM 1163 O ASN A 78 -11.274 -2.600 0.789 1.00 0.00 O ATOM 1164 CB ASN A 78 -11.828 -3.525 -1.777 1.00 0.00 C ATOM 1165 CG ASN A 78 -12.699 -2.329 -2.057 1.00 0.00 C ATOM 1166 OD1 ASN A 78 -12.365 -1.492 -2.894 1.00 0.00 O ATOM 1167 ND2 ASN A 78 -13.810 -2.234 -1.364 1.00 0.00 N ATOM 0 H ASN A 78 -9.428 -4.615 -2.318 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.195 -2.304 -2.194 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.788 -4.177 -2.649 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.243 -4.113 -0.958 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -14.047 -2.952 -0.680 1.00 0.00 H new ATOM 1172 N HIS A 79 -9.352 -1.627 0.130 1.00 0.00 N ATOM 1173 CA HIS A 79 -9.075 -0.964 1.382 1.00 0.00 C ATOM 1174 C HIS A 79 -10.258 -0.247 1.985 1.00 0.00 C ATOM 1175 O HIS A 79 -10.802 0.708 1.435 1.00 0.00 O ATOM 1176 CB HIS A 79 -7.906 -0.013 1.218 1.00 0.00 C ATOM 1177 CG HIS A 79 -6.680 -0.743 0.833 1.00 0.00 C ATOM 1178 ND1 HIS A 79 -5.466 -0.162 0.598 1.00 0.00 N ATOM 1179 CD2 HIS A 79 -6.526 -2.059 0.607 1.00 0.00 C ATOM 1180 CE1 HIS A 79 -4.617 -1.131 0.226 1.00 0.00 C ATOM 1181 NE2 HIS A 79 -5.213 -2.308 0.219 1.00 0.00 N ATOM 0 H HIS A 79 -8.649 -1.458 -0.589 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.824 -1.754 2.089 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -8.143 0.733 0.459 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.736 0.524 2.151 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.299 -2.806 0.710 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.581 -0.969 -0.034 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.799 -3.209 -0.020 1.00 0.00 H new ATOM 1189 N THR A 80 -10.601 -0.709 3.161 1.00 0.00 N ATOM 1190 CA THR A 80 -11.676 -0.127 3.944 1.00 0.00 C ATOM 1191 C THR A 80 -11.065 0.674 5.082 1.00 0.00 C ATOM 1192 O THR A 80 -11.708 1.538 5.680 1.00 0.00 O ATOM 1193 CB THR A 80 -12.587 -1.220 4.481 1.00 0.00 C ATOM 1194 OG1 THR A 80 -12.170 -1.637 5.769 1.00 0.00 O ATOM 1195 CG2 THR A 80 -12.614 -2.432 3.586 1.00 0.00 C ATOM 0 H THR A 80 -10.144 -1.503 3.609 1.00 0.00 H new ATOM 0 HA THR A 80 -12.280 0.531 3.319 1.00 0.00 H new ATOM 0 HB THR A 80 -13.586 -0.786 4.524 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.948 -1.937 6.284 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.278 -3.184 4.012 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.975 -2.147 2.598 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.608 -2.843 3.500 1.00 0.00 H new ATOM 1203 N ALA A 81 -9.797 0.375 5.354 1.00 0.00 N ATOM 1204 CA ALA A 81 -9.041 1.050 6.396 1.00 0.00 C ATOM 1205 C ALA A 81 -7.550 0.856 6.147 1.00 0.00 C ATOM 1206 O ALA A 81 -7.137 -0.192 5.655 1.00 0.00 O ATOM 1207 CB ALA A 81 -9.432 0.518 7.767 1.00 0.00 C ATOM 0 H ALA A 81 -9.269 -0.342 4.857 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.269 2.116 6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.856 1.034 8.535 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.495 0.689 7.934 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.225 -0.551 7.815 1.00 0.00 H new ATOM 1213 N CYS A 82 -6.744 1.862 6.469 1.00 0.00 N ATOM 1214 CA CYS A 82 -5.304 1.765 6.255 1.00 0.00 C ATOM 1215 C CYS A 82 -4.529 2.120 7.519 1.00 0.00 C ATOM 1216 O CYS A 82 -4.889 3.046 8.247 1.00 0.00 O ATOM 1217 CB CYS A 82 -4.867 2.663 5.096 1.00 0.00 C ATOM 1218 SG CYS A 82 -4.814 1.808 3.485 1.00 0.00 S ATOM 0 H CYS A 82 -7.058 2.744 6.874 1.00 0.00 H new ATOM 0 HA CYS A 82 -5.079 0.729 6.000 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.551 3.509 5.026 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -3.879 3.069 5.315 1.00 0.00 H new ATOM 1223 N HIS A 83 -3.460 1.370 7.769 1.00 0.00 N ATOM 1224 CA HIS A 83 -2.621 1.589 8.941 1.00 0.00 C ATOM 1225 C HIS A 83 -1.172 1.221 8.638 1.00 0.00 C ATOM 1226 O HIS A 83 -0.873 0.079 8.288 1.00 0.00 O ATOM 1227 CB HIS A 83 -3.136 0.767 10.122 1.00 0.00 C ATOM 1228 CG HIS A 83 -3.169 -0.707 9.861 1.00 0.00 C ATOM 1229 ND1 HIS A 83 -3.288 -1.646 10.865 1.00 0.00 N ATOM 1230 CD2 HIS A 83 -3.102 -1.407 8.703 1.00 0.00 C ATOM 1231 CE1 HIS A 83 -3.292 -2.856 10.336 1.00 0.00 C ATOM 1232 NE2 HIS A 83 -3.181 -2.739 9.026 1.00 0.00 N ATOM 0 H HIS A 83 -3.154 0.602 7.172 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.664 2.646 9.202 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.505 0.959 10.990 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -4.141 1.104 10.377 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -3.005 -0.994 7.710 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.372 -3.784 10.883 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -3.158 -3.513 8.362 1.00 0.00 H new ATOM 1241 N CYS A 84 -0.279 2.196 8.765 1.00 0.00 N ATOM 1242 CA CYS A 84 1.137 1.976 8.491 1.00 0.00 C ATOM 1243 C CYS A 84 1.849 1.367 9.693 1.00 0.00 C ATOM 1244 O CYS A 84 1.228 1.069 10.714 1.00 0.00 O ATOM 1245 CB CYS A 84 1.810 3.292 8.098 1.00 0.00 C ATOM 1246 SG CYS A 84 2.038 3.502 6.302 1.00 0.00 S ATOM 0 H CYS A 84 -0.510 3.146 9.056 1.00 0.00 H new ATOM 0 HA CYS A 84 1.210 1.272 7.662 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.212 4.121 8.477 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.783 3.351 8.586 1.00 0.00 H new ATOM 1251 N SER A 85 3.158 1.185 9.558 1.00 0.00 N ATOM 1252 CA SER A 85 3.969 0.612 10.627 1.00 0.00 C ATOM 1253 C SER A 85 3.226 -0.514 11.335 1.00 0.00 C ATOM 1254 O SER A 85 3.176 -0.558 12.565 1.00 0.00 O ATOM 1255 CB SER A 85 4.353 1.690 11.641 1.00 0.00 C ATOM 1256 OG SER A 85 3.585 2.865 11.452 1.00 0.00 O ATOM 0 H SER A 85 3.682 1.427 8.717 1.00 0.00 H new ATOM 0 HA SER A 85 4.873 0.203 10.176 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.203 1.312 12.652 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.413 1.925 11.543 1.00 0.00 H new ATOM 0 HG SER A 85 3.849 3.538 12.114 1.00 0.00 H new ATOM 1262 N THR A 86 2.646 -1.424 10.559 1.00 0.00 N ATOM 1263 CA THR A 86 1.908 -2.542 11.131 1.00 0.00 C ATOM 1264 C THR A 86 1.514 -3.557 10.064 1.00 0.00 C ATOM 1265 O THR A 86 0.342 -3.911 9.935 1.00 0.00 O ATOM 1266 CB THR A 86 0.658 -2.034 11.848 1.00 0.00 C ATOM 1267 OG1 THR A 86 -0.176 -3.113 12.229 1.00 0.00 O ATOM 1268 CG2 THR A 86 -0.167 -1.086 11.006 1.00 0.00 C ATOM 0 H THR A 86 2.673 -1.409 9.539 1.00 0.00 H new ATOM 0 HA THR A 86 2.562 -3.040 11.846 1.00 0.00 H new ATOM 0 HB THR A 86 1.023 -1.494 12.722 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.491 -3.582 11.428 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.040 -0.762 11.573 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.436 -0.218 10.740 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.492 -1.594 10.098 1.00 0.00 H new ATOM 1276 N CYS A 87 2.497 -4.032 9.307 1.00 0.00 N ATOM 1277 CA CYS A 87 2.240 -5.016 8.263 1.00 0.00 C ATOM 1278 C CYS A 87 3.033 -6.295 8.522 1.00 0.00 C ATOM 1279 O CYS A 87 4.239 -6.356 8.285 1.00 0.00 O ATOM 1280 CB CYS A 87 2.573 -4.436 6.883 1.00 0.00 C ATOM 1281 SG CYS A 87 4.317 -4.612 6.379 1.00 0.00 S ATOM 0 H CYS A 87 3.474 -3.753 9.396 1.00 0.00 H new ATOM 0 HA CYS A 87 1.179 -5.267 8.279 1.00 0.00 H new ATOM 0 HB2 CYS A 87 1.943 -4.923 6.138 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.313 -3.378 6.877 1.00 0.00 H new ATOM 1286 N TYR A 88 2.344 -7.314 9.025 1.00 0.00 N ATOM 1287 CA TYR A 88 2.979 -8.591 9.327 1.00 0.00 C ATOM 1288 C TYR A 88 2.458 -9.688 8.406 1.00 0.00 C ATOM 1289 O TYR A 88 1.250 -9.886 8.281 1.00 0.00 O ATOM 1290 CB TYR A 88 2.731 -8.976 10.787 1.00 0.00 C ATOM 1291 CG TYR A 88 3.998 -9.126 11.599 1.00 0.00 C ATOM 1292 CD1 TYR A 88 4.695 -8.011 12.044 1.00 0.00 C ATOM 1293 CD2 TYR A 88 4.496 -10.383 11.922 1.00 0.00 C ATOM 1294 CE1 TYR A 88 5.854 -8.142 12.787 1.00 0.00 C ATOM 1295 CE2 TYR A 88 5.654 -10.523 12.665 1.00 0.00 C ATOM 1296 CZ TYR A 88 6.329 -9.399 13.095 1.00 0.00 C ATOM 1297 OH TYR A 88 7.482 -9.533 13.834 1.00 0.00 O ATOM 0 H TYR A 88 1.346 -7.280 9.232 1.00 0.00 H new ATOM 0 HA TYR A 88 4.051 -8.482 9.164 1.00 0.00 H new ATOM 0 HB2 TYR A 88 2.100 -8.218 11.251 1.00 0.00 H new ATOM 0 HB3 TYR A 88 2.177 -9.914 10.817 1.00 0.00 H new ATOM 0 HD1 TYR A 88 4.326 -7.024 11.806 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.970 -11.265 11.587 1.00 0.00 H new ATOM 0 HE1 TYR A 88 6.384 -7.264 13.124 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.028 -11.507 12.907 1.00 0.00 H new ATOM 0 HH TYR A 88 7.679 -10.484 13.964 1.00 0.00 H new ATOM 1307 N TYR A 89 3.378 -10.398 7.763 1.00 0.00 N ATOM 1308 CA TYR A 89 3.011 -11.476 6.852 1.00 0.00 C ATOM 1309 C TYR A 89 2.201 -10.942 5.676 1.00 0.00 C ATOM 1310 O TYR A 89 1.134 -10.355 5.859 1.00 0.00 O ATOM 1311 CB TYR A 89 2.206 -12.546 7.591 1.00 0.00 C ATOM 1312 CG TYR A 89 3.065 -13.575 8.289 1.00 0.00 C ATOM 1313 CD1 TYR A 89 4.069 -14.249 7.606 1.00 0.00 C ATOM 1314 CD2 TYR A 89 2.872 -13.873 9.633 1.00 0.00 C ATOM 1315 CE1 TYR A 89 4.856 -15.192 8.240 1.00 0.00 C ATOM 1316 CE2 TYR A 89 3.655 -14.814 10.274 1.00 0.00 C ATOM 1317 CZ TYR A 89 4.645 -15.470 9.574 1.00 0.00 C ATOM 1318 OH TYR A 89 5.427 -16.408 10.209 1.00 0.00 O ATOM 0 H TYR A 89 4.383 -10.247 7.855 1.00 0.00 H new ATOM 0 HA TYR A 89 3.930 -11.920 6.469 1.00 0.00 H new ATOM 0 HB2 TYR A 89 1.564 -12.062 8.327 1.00 0.00 H new ATOM 0 HB3 TYR A 89 1.552 -13.052 6.881 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.238 -14.033 6.561 1.00 0.00 H new ATOM 0 HD2 TYR A 89 2.098 -13.361 10.185 1.00 0.00 H new ATOM 0 HE1 TYR A 89 5.632 -15.708 7.694 1.00 0.00 H new ATOM 0 HE2 TYR A 89 3.492 -15.035 11.319 1.00 0.00 H new ATOM 0 HH TYR A 89 5.150 -16.484 11.146 1.00 0.00 H new ATOM 1328 N HIS A 90 2.713 -11.152 4.468 1.00 0.00 N ATOM 1329 CA HIS A 90 2.036 -10.693 3.262 1.00 0.00 C ATOM 1330 C HIS A 90 1.329 -11.852 2.562 1.00 0.00 C ATOM 1331 O HIS A 90 1.953 -12.858 2.226 1.00 0.00 O ATOM 1332 CB HIS A 90 3.039 -10.036 2.309 1.00 0.00 C ATOM 1333 CG HIS A 90 3.496 -10.939 1.204 1.00 0.00 C ATOM 1334 ND1 HIS A 90 4.785 -11.417 1.106 1.00 0.00 N ATOM 1335 CD2 HIS A 90 2.821 -11.461 0.153 1.00 0.00 C ATOM 1336 CE1 HIS A 90 4.884 -12.193 0.041 1.00 0.00 C ATOM 1337 NE2 HIS A 90 3.707 -12.237 -0.554 1.00 0.00 N ATOM 0 H HIS A 90 3.594 -11.637 4.299 1.00 0.00 H new ATOM 0 HA HIS A 90 1.286 -9.957 3.551 1.00 0.00 H new ATOM 0 HB2 HIS A 90 2.585 -9.145 1.875 1.00 0.00 H new ATOM 0 HB3 HIS A 90 3.907 -9.706 2.880 1.00 0.00 H new ATOM 0 HD2 HIS A 90 1.780 -11.298 -0.085 1.00 0.00 H new ATOM 0 HE1 HIS A 90 5.777 -12.705 -0.287 1.00 0.00 H new ATOM 0 HE2 HIS A 90 3.490 -12.762 -1.401 1.00 0.00 H new ATOM 1346 N LYS A 91 0.025 -11.699 2.346 1.00 0.00 N ATOM 1347 CA LYS A 91 -0.774 -12.726 1.682 1.00 0.00 C ATOM 1348 C LYS A 91 -1.181 -13.833 2.653 1.00 0.00 C ATOM 1349 O LYS A 91 -2.058 -14.641 2.351 1.00 0.00 O ATOM 1350 CB LYS A 91 -0.004 -13.328 0.504 1.00 0.00 C ATOM 1351 CG LYS A 91 -0.839 -14.270 -0.348 1.00 0.00 C ATOM 1352 CD LYS A 91 -0.536 -14.101 -1.827 1.00 0.00 C ATOM 1353 CE LYS A 91 -1.135 -15.230 -2.650 1.00 0.00 C ATOM 1354 NZ LYS A 91 -0.582 -15.264 -4.032 1.00 0.00 N ATOM 0 H LYS A 91 -0.502 -10.871 2.622 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.680 -12.246 1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.373 -12.521 -0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.863 -13.867 0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.643 -15.300 -0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.898 -14.082 -0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.932 -13.147 -2.174 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.543 -14.072 -1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.939 -16.182 -2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.218 -15.112 -2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.016 -16.048 -4.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.791 -14.365 -4.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.448 -15.403 -3.991 1.00 0.00 H new ATOM 1368 N SER A 92 -0.539 -13.868 3.817 1.00 0.00 N ATOM 1369 CA SER A 92 -0.839 -14.881 4.825 1.00 0.00 C ATOM 1370 C SER A 92 -0.903 -16.270 4.197 1.00 0.00 C ATOM 1371 O SER A 92 0.091 -17.018 4.314 1.00 0.00 O ATOM 1372 CB SER A 92 -2.163 -14.563 5.525 1.00 0.00 C ATOM 1373 OG SER A 92 -2.237 -13.192 5.877 1.00 0.00 O ATOM 1374 OXT SER A 92 -1.946 -16.600 3.595 1.00 0.00 O ATOM 0 H SER A 92 0.191 -13.208 4.086 1.00 0.00 H new ATOM 0 HA SER A 92 -0.037 -14.871 5.563 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.995 -14.819 4.869 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.262 -15.177 6.420 1.00 0.00 H new ATOM 0 HG SER A 92 -3.092 -13.014 6.321 1.00 0.00 H new TER 1380 SER A 92 HETATM 1381 C1 NAG A1052 7.579 -10.759 -4.090 1.00 0.00 C HETATM 1382 C2 NAG A1052 7.277 -11.758 -5.200 1.00 0.00 C HETATM 1383 C3 NAG A1052 7.101 -13.152 -4.628 1.00 0.00 C HETATM 1384 C4 NAG A1052 8.298 -13.524 -3.776 1.00 0.00 C HETATM 1385 C5 NAG A1052 8.558 -12.454 -2.725 1.00 0.00 C HETATM 1386 C6 NAG A1052 9.816 -12.725 -1.925 1.00 0.00 C HETATM 1387 C7 NAG A1052 4.909 -11.310 -5.223 1.00 0.00 C HETATM 1388 C8 NAG A1052 3.677 -10.890 -6.007 1.00 0.00 C HETATM 1389 N2 NAG A1052 6.061 -11.366 -5.883 1.00 0.00 N HETATM 1390 O3 NAG A1052 6.978 -14.082 -5.694 1.00 0.00 O HETATM 1391 O4 NAG A1052 8.043 -14.762 -3.128 1.00 0.00 O HETATM 1392 O5 NAG A1052 8.728 -11.162 -3.336 1.00 0.00 O HETATM 1393 O6 NAG A1052 10.055 -11.693 -0.979 1.00 0.00 O HETATM 1394 O7 NAG A1052 4.811 -11.581 -4.027 1.00 0.00 O HETATM 0 HO6 NAG A1052 9.818 -10.827 -1.372 1.00 0.00 H new HETATM 0 HO4 NAG A1052 8.891 -15.165 -2.846 1.00 0.00 H new HETATM 0 HO3 NAG A1052 6.866 -14.985 -5.329 1.00 0.00 H new HETATM 0 HN2 NAG A1052 6.089 -11.132 -6.875 1.00 0.00 H new HETATM 0 H83 NAG A1052 3.828 -9.890 -6.413 1.00 0.00 H new HETATM 0 H82 NAG A1052 3.509 -11.592 -6.824 1.00 0.00 H new HETATM 0 H81 NAG A1052 2.809 -10.887 -5.347 1.00 0.00 H new HETATM 0 H62 NAG A1052 9.723 -13.681 -1.409 1.00 0.00 H new HETATM 0 H61 NAG A1052 10.668 -12.808 -2.599 1.00 0.00 H new HETATM 0 H5 NAG A1052 7.688 -12.472 -2.068 1.00 0.00 H new HETATM 0 H4 NAG A1052 9.175 -13.608 -4.418 1.00 0.00 H new HETATM 0 H3 NAG A1052 6.204 -13.172 -4.009 1.00 0.00 H new HETATM 0 H2 NAG A1052 8.113 -11.766 -5.900 1.00 0.00 H new HETATM 1404 C1 NAG A1078 -14.612 -1.043 -1.474 1.00 0.00 C HETATM 1405 C2 NAG A1078 -16.023 -1.398 -1.933 1.00 0.00 C HETATM 1406 C3 NAG A1078 -16.905 -0.161 -1.943 1.00 0.00 C HETATM 1407 C4 NAG A1078 -16.844 0.544 -0.602 1.00 0.00 C HETATM 1408 C5 NAG A1078 -15.400 0.817 -0.208 1.00 0.00 C HETATM 1409 C6 NAG A1078 -15.276 1.417 1.178 1.00 0.00 C HETATM 1410 C7 NAG A1078 -16.437 -3.179 -3.503 1.00 0.00 C HETATM 1411 C8 NAG A1078 -16.363 -3.692 -4.931 1.00 0.00 C HETATM 1412 N2 NAG A1078 -15.975 -1.955 -3.270 1.00 0.00 N HETATM 1413 O3 NAG A1078 -18.245 -0.547 -2.210 1.00 0.00 O HETATM 1414 O4 NAG A1078 -17.547 1.775 -0.686 1.00 0.00 O HETATM 1415 O5 NAG A1078 -14.638 -0.394 -0.197 1.00 0.00 O HETATM 1416 O6 NAG A1078 -15.905 0.597 2.151 1.00 0.00 O HETATM 1417 O7 NAG A1078 -16.913 -3.892 -2.620 1.00 0.00 O HETATM 0 HO6 NAG A1078 -15.808 1.007 3.036 1.00 0.00 H new HETATM 0 HO4 NAG A1078 -17.789 2.076 0.215 1.00 0.00 H new HETATM 0 HO3 NAG A1078 -18.819 0.247 -2.216 1.00 0.00 H new HETATM 0 HN2 NAG A1078 -15.585 -1.405 -4.035 1.00 0.00 H new HETATM 0 H83 NAG A1078 -16.939 -3.036 -5.584 1.00 0.00 H new HETATM 0 H82 NAG A1078 -15.323 -3.708 -5.259 1.00 0.00 H new HETATM 0 H81 NAG A1078 -16.773 -4.701 -4.977 1.00 0.00 H new HETATM 0 H62 NAG A1078 -14.223 1.542 1.430 1.00 0.00 H new HETATM 0 H61 NAG A1078 -15.726 2.410 1.189 1.00 0.00 H new HETATM 0 H5 NAG A1078 -15.025 1.522 -0.950 1.00 0.00 H new HETATM 0 H4 NAG A1078 -17.300 -0.097 0.153 1.00 0.00 H new HETATM 0 H3 NAG A1078 -16.550 0.521 -2.715 1.00 0.00 H new HETATM 0 H2 NAG A1078 -16.439 -2.129 -1.240 1.00 0.00 H new