USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 772 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 88 ASN : amide:sc=-0.00619 K(o=1.1,f=1.8) USER MOD Set 1.2: A 92 HIS : no HD1:sc= 1.09 K(o=1.1,f=-8.1!) USER MOD Set 2.1: A 8 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Set 2.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 41 SER OG : rot -71:sc= 1.16 USER MOD Set 3.2: A 52 THR OG1 : rot 180:sc= 1.02 USER MOD Set 4.1: A 26 GLN : amide:sc=-0.00662 K(o=0.24,f=-0.66) USER MOD Set 4.2: A 30 SER OG : rot -105:sc= 0.247 USER MOD Set 5.1: A 14 LYS NZ :NH3+ -161:sc= 1.57 (180deg=1.13) USER MOD Set 5.2: A 60 TYR OH : rot 180:sc= -0.253 USER MOD Set 6.1: A 7 LYS NZ :NH3+ -145:sc= 0.0289 (180deg=-0.192) USER MOD Set 6.2: A 46 ASN : amide:sc= -0.267 K(o=-0.24,f=-3.2) USER MOD Set 7.1: A 6 GLN : amide:sc= 0.348 K(o=0.46,f=-0.68) USER MOD Set 7.2: A 72 SER OG : rot 160:sc= 0.109 USER MOD Single : A 1 MET CE :methyl -158:sc= -0.187 (180deg=-0.892) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.00942) USER MOD Single : A 5 GLN : amide:sc= -0.214 K(o=-0.21,f=-0.8) USER MOD Single : A 12 SER OG : rot -157:sc= -0.348! USER MOD Single : A 13 ASN : amide:sc= -0.141 K(o=-0.14,f=-2.4) USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= 0.975 (180deg=0.897) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot -47:sc= 1.24 USER MOD Single : A 27 GLN : amide:sc= 0.758 K(o=0.76,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -167:sc= -0.0626 (180deg=-0.31) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -138:sc= 1.11 (180deg=0.755) USER MOD Single : A 51 LYS NZ :NH3+ -172:sc=-0.00705 (180deg=-0.0899) USER MOD Single : A 56 GLN : amide:sc= -0.0191 K(o=-0.019,f=-1) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 61 HIS : no HD1:sc= 0.302 K(o=0.3,f=-5.4!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.72) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 89:sc= 0.917 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -0.0881 X(o=-0.088,f=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.0857 X(o=-0.086,f=-0.35) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -0.0217 X(o=-0.022,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.076 -20.855 -6.769 1.00 0.00 N ATOM 2 CA MET A 1 8.583 -20.982 -5.385 1.00 0.00 C ATOM 3 C MET A 1 7.707 -20.196 -4.418 1.00 0.00 C ATOM 4 O MET A 1 7.320 -20.705 -3.366 1.00 0.00 O ATOM 5 CB MET A 1 10.029 -20.483 -5.304 1.00 0.00 C ATOM 6 CG MET A 1 10.666 -20.679 -3.937 1.00 0.00 C ATOM 7 SD MET A 1 12.380 -20.117 -3.880 1.00 0.00 S ATOM 8 CE MET A 1 13.124 -21.161 -5.133 1.00 0.00 C ATOM 0 H1 MET A 1 8.645 -21.451 -7.403 1.00 0.00 H new ATOM 0 H2 MET A 1 7.083 -21.161 -6.804 1.00 0.00 H new ATOM 0 H3 MET A 1 8.143 -19.863 -7.074 1.00 0.00 H new ATOM 0 HA MET A 1 8.553 -22.035 -5.104 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.627 -21.004 -6.052 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.053 -19.423 -5.558 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.086 -20.138 -3.189 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.625 -21.735 -3.670 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.198 -21.228 -4.960 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.685 -22.158 -5.084 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.942 -20.733 -6.119 1.00 0.00 H new ATOM 20 N ALA A 2 7.391 -18.961 -4.778 1.00 0.00 N ATOM 21 CA ALA A 2 6.573 -18.115 -3.928 1.00 0.00 C ATOM 22 C ALA A 2 5.355 -17.606 -4.685 1.00 0.00 C ATOM 23 O ALA A 2 5.473 -16.757 -5.567 1.00 0.00 O ATOM 24 CB ALA A 2 7.391 -16.951 -3.391 1.00 0.00 C ATOM 0 H ALA A 2 7.689 -18.525 -5.651 1.00 0.00 H new ATOM 0 HA ALA A 2 6.225 -18.712 -3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.762 -16.327 -2.756 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.229 -17.333 -2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.769 -16.357 -4.223 1.00 0.00 H new ATOM 30 N PRO A 3 4.169 -18.145 -4.368 1.00 0.00 N ATOM 31 CA PRO A 3 2.912 -17.700 -4.974 1.00 0.00 C ATOM 32 C PRO A 3 2.590 -16.262 -4.588 1.00 0.00 C ATOM 33 O PRO A 3 2.153 -15.460 -5.418 1.00 0.00 O ATOM 34 CB PRO A 3 1.863 -18.657 -4.389 1.00 0.00 C ATOM 35 CG PRO A 3 2.639 -19.804 -3.837 1.00 0.00 C ATOM 36 CD PRO A 3 3.962 -19.241 -3.411 1.00 0.00 C ATOM 0 HA PRO A 3 2.950 -17.718 -6.063 1.00 0.00 H new ATOM 0 HB2 PRO A 3 1.276 -18.169 -3.611 1.00 0.00 H new ATOM 0 HB3 PRO A 3 1.163 -18.989 -5.156 1.00 0.00 H new ATOM 0 HG2 PRO A 3 2.118 -20.258 -2.994 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.770 -20.584 -4.587 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.937 -18.881 -2.382 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.756 -19.985 -3.469 1.00 0.00 H new ATOM 44 N LEU A 4 2.813 -15.947 -3.322 1.00 0.00 N ATOM 45 CA LEU A 4 2.625 -14.600 -2.819 1.00 0.00 C ATOM 46 C LEU A 4 3.960 -13.877 -2.817 1.00 0.00 C ATOM 47 O LEU A 4 4.832 -14.172 -1.999 1.00 0.00 O ATOM 48 CB LEU A 4 2.047 -14.636 -1.403 1.00 0.00 C ATOM 49 CG LEU A 4 1.673 -13.280 -0.806 1.00 0.00 C ATOM 50 CD1 LEU A 4 0.584 -12.613 -1.631 1.00 0.00 C ATOM 51 CD2 LEU A 4 1.224 -13.452 0.637 1.00 0.00 C ATOM 0 H LEU A 4 3.128 -16.616 -2.619 1.00 0.00 H new ATOM 0 HA LEU A 4 1.923 -14.071 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 4 1.159 -15.267 -1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.773 -15.114 -0.746 1.00 0.00 H new ATOM 0 HG LEU A 4 2.552 -12.636 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.332 -11.649 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.940 -12.463 -2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.302 -13.248 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.960 -12.480 1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.356 -14.110 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.034 -13.889 1.221 1.00 0.00 H new ATOM 63 N GLN A 5 4.127 -12.948 -3.742 1.00 0.00 N ATOM 64 CA GLN A 5 5.373 -12.215 -3.837 1.00 0.00 C ATOM 65 C GLN A 5 5.401 -11.100 -2.811 1.00 0.00 C ATOM 66 O GLN A 5 4.621 -10.152 -2.874 1.00 0.00 O ATOM 67 CB GLN A 5 5.563 -11.658 -5.251 1.00 0.00 C ATOM 68 CG GLN A 5 5.937 -12.729 -6.261 1.00 0.00 C ATOM 69 CD GLN A 5 7.265 -13.386 -5.935 1.00 0.00 C ATOM 70 OE1 GLN A 5 8.169 -12.752 -5.390 1.00 0.00 O ATOM 71 NE2 GLN A 5 7.387 -14.666 -6.247 1.00 0.00 N ATOM 0 H GLN A 5 3.422 -12.686 -4.431 1.00 0.00 H new ATOM 0 HA GLN A 5 6.198 -12.897 -3.629 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.643 -11.169 -5.571 1.00 0.00 H new ATOM 0 HB3 GLN A 5 6.340 -10.894 -5.234 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.155 -13.488 -6.289 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.987 -12.286 -7.256 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.615 -15.157 -6.698 1.00 0.00 H new ATOM 0 HE22 GLN A 5 8.253 -15.162 -6.036 1.00 0.00 H new ATOM 80 N GLN A 6 6.294 -11.246 -1.846 1.00 0.00 N ATOM 81 CA GLN A 6 6.438 -10.267 -0.791 1.00 0.00 C ATOM 82 C GLN A 6 7.712 -9.462 -0.984 1.00 0.00 C ATOM 83 O GLN A 6 8.819 -9.999 -0.911 1.00 0.00 O ATOM 84 CB GLN A 6 6.451 -10.945 0.579 1.00 0.00 C ATOM 85 CG GLN A 6 5.119 -11.568 0.965 1.00 0.00 C ATOM 86 CD GLN A 6 5.127 -12.125 2.376 1.00 0.00 C ATOM 87 OE1 GLN A 6 6.157 -12.579 2.874 1.00 0.00 O ATOM 88 NE2 GLN A 6 3.981 -12.080 3.036 1.00 0.00 N ATOM 0 H GLN A 6 6.932 -12.039 -1.775 1.00 0.00 H new ATOM 0 HA GLN A 6 5.583 -9.592 -0.837 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.219 -11.718 0.585 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.732 -10.212 1.335 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.332 -10.819 0.878 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.878 -12.367 0.264 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.149 -11.696 2.588 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.930 -12.429 3.993 1.00 0.00 H new ATOM 97 N LYS A 7 7.547 -8.181 -1.250 1.00 0.00 N ATOM 98 CA LYS A 7 8.676 -7.283 -1.392 1.00 0.00 C ATOM 99 C LYS A 7 8.409 -6.022 -0.589 1.00 0.00 C ATOM 100 O LYS A 7 7.277 -5.544 -0.546 1.00 0.00 O ATOM 101 CB LYS A 7 8.907 -6.933 -2.864 1.00 0.00 C ATOM 102 CG LYS A 7 10.250 -6.270 -3.124 1.00 0.00 C ATOM 103 CD LYS A 7 10.374 -5.789 -4.558 1.00 0.00 C ATOM 104 CE LYS A 7 11.783 -5.302 -4.864 1.00 0.00 C ATOM 105 NZ LYS A 7 12.264 -4.308 -3.864 1.00 0.00 N ATOM 0 H LYS A 7 6.637 -7.737 -1.373 1.00 0.00 H new ATOM 0 HA LYS A 7 9.574 -7.774 -1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.838 -7.842 -3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.111 -6.269 -3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.376 -5.426 -2.446 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.052 -6.976 -2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.112 -6.599 -5.238 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.663 -4.982 -4.735 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.464 -6.153 -4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.803 -4.854 -5.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.861 -3.600 -4.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.449 -3.835 -3.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.818 -4.794 -3.130 1.00 0.00 H new ATOM 119 N GLN A 8 9.431 -5.494 0.061 1.00 0.00 N ATOM 120 CA GLN A 8 9.263 -4.309 0.882 1.00 0.00 C ATOM 121 C GLN A 8 9.246 -3.054 0.019 1.00 0.00 C ATOM 122 O GLN A 8 10.092 -2.875 -0.860 1.00 0.00 O ATOM 123 CB GLN A 8 10.358 -4.226 1.947 1.00 0.00 C ATOM 124 CG GLN A 8 10.325 -5.396 2.919 1.00 0.00 C ATOM 125 CD GLN A 8 11.275 -5.232 4.087 1.00 0.00 C ATOM 126 OE1 GLN A 8 12.324 -4.599 3.972 1.00 0.00 O ATOM 127 NE2 GLN A 8 10.906 -5.804 5.223 1.00 0.00 N ATOM 0 H GLN A 8 10.381 -5.865 0.037 1.00 0.00 H new ATOM 0 HA GLN A 8 8.303 -4.381 1.392 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.332 -4.193 1.458 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.248 -3.295 2.503 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.310 -5.515 3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.574 -6.312 2.383 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.027 -6.319 5.273 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.501 -5.729 6.048 1.00 0.00 H new ATOM 136 N VAL A 9 8.257 -2.206 0.264 1.00 0.00 N ATOM 137 CA VAL A 9 8.070 -0.984 -0.508 1.00 0.00 C ATOM 138 C VAL A 9 7.959 0.225 0.408 1.00 0.00 C ATOM 139 O VAL A 9 7.949 0.091 1.635 1.00 0.00 O ATOM 140 CB VAL A 9 6.802 -1.052 -1.388 1.00 0.00 C ATOM 141 CG1 VAL A 9 6.989 -2.038 -2.532 1.00 0.00 C ATOM 142 CG2 VAL A 9 5.587 -1.428 -0.551 1.00 0.00 C ATOM 0 H VAL A 9 7.564 -2.344 1.000 1.00 0.00 H new ATOM 0 HA VAL A 9 8.945 -0.884 -1.151 1.00 0.00 H new ATOM 0 HB VAL A 9 6.633 -0.064 -1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.083 -2.069 -3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.829 -1.722 -3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.189 -3.030 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.704 -1.471 -1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.750 -2.403 -0.091 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.436 -0.680 0.228 1.00 0.00 H new ATOM 152 N VAL A 10 7.880 1.404 -0.191 1.00 0.00 N ATOM 153 CA VAL A 10 7.705 2.633 0.564 1.00 0.00 C ATOM 154 C VAL A 10 6.272 3.123 0.433 1.00 0.00 C ATOM 155 O VAL A 10 5.766 3.273 -0.676 1.00 0.00 O ATOM 156 CB VAL A 10 8.649 3.750 0.069 1.00 0.00 C ATOM 157 CG1 VAL A 10 8.500 5.004 0.918 1.00 0.00 C ATOM 158 CG2 VAL A 10 10.091 3.277 0.068 1.00 0.00 C ATOM 0 H VAL A 10 7.935 1.534 -1.201 1.00 0.00 H new ATOM 0 HA VAL A 10 7.942 2.409 1.604 1.00 0.00 H new ATOM 0 HB VAL A 10 8.368 3.996 -0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.176 5.776 0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.472 5.363 0.860 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.745 4.773 1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.737 4.081 -0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.382 2.995 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.191 2.415 -0.592 1.00 0.00 H new ATOM 168 N VAL A 11 5.612 3.349 1.552 1.00 0.00 N ATOM 169 CA VAL A 11 4.300 3.969 1.527 1.00 0.00 C ATOM 170 C VAL A 11 4.465 5.467 1.312 1.00 0.00 C ATOM 171 O VAL A 11 4.746 6.209 2.258 1.00 0.00 O ATOM 172 CB VAL A 11 3.516 3.699 2.826 1.00 0.00 C ATOM 173 CG1 VAL A 11 2.109 4.278 2.742 1.00 0.00 C ATOM 174 CG2 VAL A 11 3.470 2.205 3.109 1.00 0.00 C ATOM 0 H VAL A 11 5.958 3.115 2.483 1.00 0.00 H new ATOM 0 HA VAL A 11 3.726 3.534 0.708 1.00 0.00 H new ATOM 0 HB VAL A 11 4.031 4.193 3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.576 4.074 3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.168 5.355 2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.576 3.819 1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.914 2.026 4.029 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.978 1.693 2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.485 1.824 3.219 1.00 0.00 H new ATOM 184 N SER A 12 4.335 5.890 0.056 1.00 0.00 N ATOM 185 CA SER A 12 4.589 7.270 -0.335 1.00 0.00 C ATOM 186 C SER A 12 3.706 8.233 0.438 1.00 0.00 C ATOM 187 O SER A 12 4.204 9.089 1.173 1.00 0.00 O ATOM 188 CB SER A 12 4.349 7.442 -1.836 1.00 0.00 C ATOM 189 OG SER A 12 5.064 6.476 -2.581 1.00 0.00 O ATOM 0 H SER A 12 4.051 5.286 -0.715 1.00 0.00 H new ATOM 0 HA SER A 12 5.629 7.499 -0.103 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.284 7.354 -2.049 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.654 8.442 -2.144 1.00 0.00 H new ATOM 0 HG SER A 12 5.197 6.801 -3.496 1.00 0.00 H new ATOM 195 N ASN A 13 2.399 8.086 0.276 1.00 0.00 N ATOM 196 CA ASN A 13 1.449 8.959 0.938 1.00 0.00 C ATOM 197 C ASN A 13 0.029 8.467 0.706 1.00 0.00 C ATOM 198 O ASN A 13 -0.246 7.756 -0.264 1.00 0.00 O ATOM 199 CB ASN A 13 1.584 10.397 0.417 1.00 0.00 C ATOM 200 CG ASN A 13 0.820 11.401 1.261 1.00 0.00 C ATOM 201 OD1 ASN A 13 0.683 11.236 2.475 1.00 0.00 O ATOM 202 ND2 ASN A 13 0.323 12.450 0.627 1.00 0.00 N ATOM 0 H ASN A 13 1.974 7.367 -0.310 1.00 0.00 H new ATOM 0 HA ASN A 13 1.664 8.947 2.007 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.638 10.674 0.396 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.222 10.442 -0.610 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.196 13.160 1.144 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.459 12.549 -0.379 1.00 0.00 H new ATOM 209 N LYS A 14 -0.853 8.829 1.619 1.00 0.00 N ATOM 210 CA LYS A 14 -2.274 8.592 1.463 1.00 0.00 C ATOM 211 C LYS A 14 -2.874 9.710 0.622 1.00 0.00 C ATOM 212 O LYS A 14 -2.772 10.883 0.979 1.00 0.00 O ATOM 213 CB LYS A 14 -2.950 8.541 2.836 1.00 0.00 C ATOM 214 CG LYS A 14 -2.473 9.635 3.783 1.00 0.00 C ATOM 215 CD LYS A 14 -3.625 10.265 4.545 1.00 0.00 C ATOM 216 CE LYS A 14 -4.599 10.953 3.603 1.00 0.00 C ATOM 217 NZ LYS A 14 -5.739 11.573 4.323 1.00 0.00 N ATOM 0 H LYS A 14 -0.603 9.296 2.490 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.434 7.636 0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.029 8.628 2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.761 7.569 3.291 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.756 9.217 4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.949 10.404 3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.148 9.498 5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.237 10.988 5.262 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.071 11.719 3.035 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.978 10.228 2.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.520 11.741 3.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.060 10.936 5.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.437 12.478 4.737 1.00 0.00 H new ATOM 231 N ARG A 15 -3.488 9.360 -0.493 1.00 0.00 N ATOM 232 CA ARG A 15 -3.995 10.366 -1.409 1.00 0.00 C ATOM 233 C ARG A 15 -5.493 10.217 -1.615 1.00 0.00 C ATOM 234 O ARG A 15 -6.019 9.105 -1.700 1.00 0.00 O ATOM 235 CB ARG A 15 -3.261 10.278 -2.752 1.00 0.00 C ATOM 236 CG ARG A 15 -1.765 10.524 -2.639 1.00 0.00 C ATOM 237 CD ARG A 15 -1.068 10.404 -3.986 1.00 0.00 C ATOM 238 NE ARG A 15 0.375 10.640 -3.874 1.00 0.00 N ATOM 239 CZ ARG A 15 1.300 10.041 -4.632 1.00 0.00 C ATOM 240 NH1 ARG A 15 0.940 9.201 -5.592 1.00 0.00 N ATOM 241 NH2 ARG A 15 2.588 10.280 -4.434 1.00 0.00 N ATOM 0 H ARG A 15 -3.647 8.396 -0.785 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.812 11.346 -0.969 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.428 9.292 -3.185 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.690 11.005 -3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.590 11.518 -2.227 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.331 9.809 -1.940 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.243 9.411 -4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.501 11.120 -4.684 1.00 0.00 H new ATOM 0 HE ARG A 15 0.695 11.306 -3.171 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.048 9.008 -5.757 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.651 8.748 -6.166 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.880 10.925 -3.699 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.288 9.819 -5.016 1.00 0.00 H new ATOM 255 N GLU A 16 -6.182 11.344 -1.669 1.00 0.00 N ATOM 256 CA GLU A 16 -7.598 11.350 -1.987 1.00 0.00 C ATOM 257 C GLU A 16 -7.769 11.465 -3.496 1.00 0.00 C ATOM 258 O GLU A 16 -7.731 12.561 -4.061 1.00 0.00 O ATOM 259 CB GLU A 16 -8.342 12.494 -1.285 1.00 0.00 C ATOM 260 CG GLU A 16 -8.393 12.393 0.237 1.00 0.00 C ATOM 261 CD GLU A 16 -7.112 12.832 0.925 1.00 0.00 C ATOM 262 OE1 GLU A 16 -6.305 13.559 0.298 1.00 0.00 O ATOM 263 OE2 GLU A 16 -6.922 12.480 2.109 1.00 0.00 O ATOM 0 H GLU A 16 -5.783 12.267 -1.497 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.031 10.416 -1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.866 13.437 -1.556 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.363 12.531 -1.666 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.219 13.002 0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.609 11.362 0.516 1.00 0.00 H new ATOM 270 N LYS A 17 -7.915 10.325 -4.143 1.00 0.00 N ATOM 271 CA LYS A 17 -8.033 10.276 -5.589 1.00 0.00 C ATOM 272 C LYS A 17 -9.505 10.345 -5.991 1.00 0.00 C ATOM 273 O LYS A 17 -10.347 9.728 -5.340 1.00 0.00 O ATOM 274 CB LYS A 17 -7.408 8.982 -6.113 1.00 0.00 C ATOM 275 CG LYS A 17 -7.082 9.004 -7.597 1.00 0.00 C ATOM 276 CD LYS A 17 -7.142 7.609 -8.188 1.00 0.00 C ATOM 277 CE LYS A 17 -8.568 7.088 -8.189 1.00 0.00 C ATOM 278 NZ LYS A 17 -8.632 5.631 -8.451 1.00 0.00 N ATOM 0 H LYS A 17 -7.955 9.414 -3.687 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.507 11.127 -6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.494 8.781 -5.555 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.091 8.156 -5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.785 9.654 -8.118 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.088 9.424 -7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.754 7.623 -9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.504 6.937 -7.613 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.032 7.303 -7.226 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.146 7.617 -8.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.623 5.317 -8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.229 5.429 -9.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.089 5.123 -7.724 1.00 0.00 H new ATOM 292 N PRO A 18 -9.831 11.122 -7.046 1.00 0.00 N ATOM 293 CA PRO A 18 -11.195 11.231 -7.574 1.00 0.00 C ATOM 294 C PRO A 18 -11.936 9.893 -7.636 1.00 0.00 C ATOM 295 O PRO A 18 -11.509 8.954 -8.317 1.00 0.00 O ATOM 296 CB PRO A 18 -10.968 11.782 -8.979 1.00 0.00 C ATOM 297 CG PRO A 18 -9.751 12.631 -8.850 1.00 0.00 C ATOM 298 CD PRO A 18 -8.893 11.990 -7.788 1.00 0.00 C ATOM 0 HA PRO A 18 -11.825 11.853 -6.938 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.818 10.980 -9.701 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -11.824 12.363 -9.321 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.216 12.689 -9.798 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.017 13.651 -8.571 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.078 11.414 -8.227 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.440 12.737 -7.136 1.00 0.00 H new ATOM 306 N VAL A 19 -13.042 9.820 -6.909 1.00 0.00 N ATOM 307 CA VAL A 19 -13.859 8.620 -6.861 1.00 0.00 C ATOM 308 C VAL A 19 -14.946 8.685 -7.931 1.00 0.00 C ATOM 309 O VAL A 19 -15.546 9.735 -8.148 1.00 0.00 O ATOM 310 CB VAL A 19 -14.502 8.442 -5.468 1.00 0.00 C ATOM 311 CG1 VAL A 19 -15.277 7.140 -5.389 1.00 0.00 C ATOM 312 CG2 VAL A 19 -13.441 8.493 -4.380 1.00 0.00 C ATOM 0 H VAL A 19 -13.395 10.588 -6.339 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.215 7.762 -7.052 1.00 0.00 H new ATOM 0 HB VAL A 19 -15.201 9.264 -5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -15.719 7.040 -4.398 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -16.066 7.140 -6.141 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -14.603 6.303 -5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.913 8.366 -3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.717 7.694 -4.540 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -12.931 9.456 -4.414 1.00 0.00 H new ATOM 322 N ASN A 20 -15.205 7.556 -8.581 1.00 0.00 N ATOM 323 CA ASN A 20 -16.094 7.518 -9.743 1.00 0.00 C ATOM 324 C ASN A 20 -17.550 7.794 -9.376 1.00 0.00 C ATOM 325 O ASN A 20 -18.326 8.242 -10.219 1.00 0.00 O ATOM 326 CB ASN A 20 -15.984 6.170 -10.456 1.00 0.00 C ATOM 327 CG ASN A 20 -14.622 5.963 -11.089 1.00 0.00 C ATOM 328 OD1 ASN A 20 -13.702 5.442 -10.458 1.00 0.00 O ATOM 329 ND2 ASN A 20 -14.480 6.373 -12.340 1.00 0.00 N ATOM 0 H ASN A 20 -14.812 6.651 -8.324 1.00 0.00 H new ATOM 0 HA ASN A 20 -15.770 8.314 -10.413 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -16.177 5.368 -9.744 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.753 6.105 -11.225 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -13.584 6.262 -12.815 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.267 6.800 -12.829 1.00 0.00 H new ATOM 336 N ASP A 21 -17.930 7.524 -8.133 1.00 0.00 N ATOM 337 CA ASP A 21 -19.298 7.804 -7.693 1.00 0.00 C ATOM 338 C ASP A 21 -19.442 9.252 -7.227 1.00 0.00 C ATOM 339 O ASP A 21 -20.541 9.712 -6.920 1.00 0.00 O ATOM 340 CB ASP A 21 -19.763 6.826 -6.601 1.00 0.00 C ATOM 341 CG ASP A 21 -18.862 6.790 -5.384 1.00 0.00 C ATOM 342 OD1 ASP A 21 -18.801 7.788 -4.645 1.00 0.00 O ATOM 343 OD2 ASP A 21 -18.217 5.745 -5.154 1.00 0.00 O ATOM 0 H ASP A 21 -17.324 7.118 -7.420 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.948 7.658 -8.556 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -20.770 7.100 -6.287 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -19.823 5.824 -7.026 1.00 0.00 H new ATOM 348 N ARG A 22 -18.333 9.976 -7.196 1.00 0.00 N ATOM 349 CA ARG A 22 -18.358 11.406 -6.919 1.00 0.00 C ATOM 350 C ARG A 22 -18.258 12.176 -8.230 1.00 0.00 C ATOM 351 O ARG A 22 -17.228 12.786 -8.521 1.00 0.00 O ATOM 352 CB ARG A 22 -17.217 11.807 -5.980 1.00 0.00 C ATOM 353 CG ARG A 22 -17.639 11.991 -4.530 1.00 0.00 C ATOM 354 CD ARG A 22 -18.179 10.708 -3.921 1.00 0.00 C ATOM 355 NE ARG A 22 -18.595 10.900 -2.531 1.00 0.00 N ATOM 356 CZ ARG A 22 -19.182 9.963 -1.791 1.00 0.00 C ATOM 357 NH1 ARG A 22 -19.415 8.760 -2.299 1.00 0.00 N ATOM 358 NH2 ARG A 22 -19.534 10.228 -0.536 1.00 0.00 N ATOM 0 H ARG A 22 -17.401 9.596 -7.360 1.00 0.00 H new ATOM 0 HA ARG A 22 -19.298 11.649 -6.423 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.438 11.046 -6.026 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.775 12.737 -6.339 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -16.786 12.337 -3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.401 12.768 -4.471 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -19.026 10.355 -4.509 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.414 9.933 -3.968 1.00 0.00 H new ATOM 0 HE ARG A 22 -18.424 11.810 -2.102 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -19.144 8.551 -3.260 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -19.865 8.044 -1.729 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -19.354 11.151 -0.140 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.984 9.509 0.030 1.00 0.00 H new ATOM 372 N ARG A 23 -19.343 12.129 -9.007 1.00 0.00 N ATOM 373 CA ARG A 23 -19.369 12.652 -10.374 1.00 0.00 C ATOM 374 C ARG A 23 -18.482 11.801 -11.279 1.00 0.00 C ATOM 375 O ARG A 23 -17.256 11.843 -11.203 1.00 0.00 O ATOM 376 CB ARG A 23 -18.959 14.131 -10.426 1.00 0.00 C ATOM 377 CG ARG A 23 -18.693 14.637 -11.833 1.00 0.00 C ATOM 378 CD ARG A 23 -18.429 16.132 -11.853 1.00 0.00 C ATOM 379 NE ARG A 23 -19.666 16.907 -11.860 1.00 0.00 N ATOM 380 CZ ARG A 23 -19.847 18.032 -11.170 1.00 0.00 C ATOM 381 NH1 ARG A 23 -18.901 18.467 -10.343 1.00 0.00 N ATOM 382 NH2 ARG A 23 -20.983 18.709 -11.297 1.00 0.00 N ATOM 0 H ARG A 23 -20.230 11.726 -8.705 1.00 0.00 H new ATOM 0 HA ARG A 23 -20.395 12.595 -10.738 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -19.747 14.734 -9.974 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -18.063 14.273 -9.822 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -17.836 14.111 -12.253 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -19.549 14.410 -12.469 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -17.834 16.407 -10.982 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -17.839 16.384 -12.734 1.00 0.00 H new ATOM 0 HE ARG A 23 -20.441 16.566 -12.429 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.035 17.939 -10.236 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.041 19.329 -9.816 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -21.713 18.367 -11.921 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -21.125 19.571 -10.770 1.00 0.00 H new ATOM 396 N SER A 24 -19.120 11.028 -12.142 1.00 0.00 N ATOM 397 CA SER A 24 -18.417 10.054 -12.964 1.00 0.00 C ATOM 398 C SER A 24 -17.837 10.696 -14.223 1.00 0.00 C ATOM 399 O SER A 24 -17.107 10.051 -14.977 1.00 0.00 O ATOM 400 CB SER A 24 -19.379 8.928 -13.346 1.00 0.00 C ATOM 401 OG SER A 24 -20.154 8.529 -12.224 1.00 0.00 O ATOM 0 H SER A 24 -20.128 11.056 -12.293 1.00 0.00 H new ATOM 0 HA SER A 24 -17.585 9.653 -12.385 1.00 0.00 H new ATOM 0 HB2 SER A 24 -20.037 9.261 -14.149 1.00 0.00 H new ATOM 0 HB3 SER A 24 -18.817 8.076 -13.728 1.00 0.00 H new ATOM 0 HG SER A 24 -19.567 8.401 -11.450 1.00 0.00 H new ATOM 407 N ARG A 25 -18.157 11.966 -14.443 1.00 0.00 N ATOM 408 CA ARG A 25 -17.710 12.662 -15.639 1.00 0.00 C ATOM 409 C ARG A 25 -16.824 13.847 -15.270 1.00 0.00 C ATOM 410 O ARG A 25 -17.221 14.717 -14.498 1.00 0.00 O ATOM 411 CB ARG A 25 -18.912 13.135 -16.454 1.00 0.00 C ATOM 412 CG ARG A 25 -18.557 13.527 -17.875 1.00 0.00 C ATOM 413 CD ARG A 25 -19.775 14.005 -18.642 1.00 0.00 C ATOM 414 NE ARG A 25 -19.475 14.202 -20.057 1.00 0.00 N ATOM 415 CZ ARG A 25 -19.875 15.253 -20.766 1.00 0.00 C ATOM 416 NH1 ARG A 25 -20.567 16.228 -20.185 1.00 0.00 N ATOM 417 NH2 ARG A 25 -19.576 15.331 -22.057 1.00 0.00 N ATOM 0 H ARG A 25 -18.723 12.531 -13.810 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.125 11.969 -16.244 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -19.660 12.342 -16.479 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -19.369 13.988 -15.953 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -17.804 14.315 -17.859 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -18.114 12.674 -18.389 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -20.580 13.277 -18.538 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -20.133 14.940 -18.212 1.00 0.00 H new ATOM 0 HE ARG A 25 -18.923 13.488 -20.532 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -20.793 16.171 -19.192 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -20.872 17.033 -20.732 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -19.041 14.586 -22.502 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -19.882 16.136 -22.604 1.00 0.00 H new ATOM 431 N GLN A 26 -15.627 13.876 -15.830 1.00 0.00 N ATOM 432 CA GLN A 26 -14.645 14.897 -15.500 1.00 0.00 C ATOM 433 C GLN A 26 -14.912 16.195 -16.263 1.00 0.00 C ATOM 434 O GLN A 26 -15.019 16.197 -17.491 1.00 0.00 O ATOM 435 CB GLN A 26 -13.242 14.385 -15.819 1.00 0.00 C ATOM 436 CG GLN A 26 -12.139 15.373 -15.485 1.00 0.00 C ATOM 437 CD GLN A 26 -10.778 14.902 -15.947 1.00 0.00 C ATOM 438 OE1 GLN A 26 -10.661 14.181 -16.937 1.00 0.00 O ATOM 439 NE2 GLN A 26 -9.740 15.312 -15.237 1.00 0.00 N ATOM 0 H GLN A 26 -15.309 13.198 -16.522 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.724 15.112 -14.434 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -13.068 13.461 -15.268 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.188 14.139 -16.879 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.364 16.334 -15.949 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.117 15.537 -14.408 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.883 15.909 -14.423 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.797 15.031 -15.504 1.00 0.00 H new ATOM 448 N GLN A 27 -15.018 17.292 -15.525 1.00 0.00 N ATOM 449 CA GLN A 27 -15.189 18.613 -16.122 1.00 0.00 C ATOM 450 C GLN A 27 -13.848 19.341 -16.185 1.00 0.00 C ATOM 451 O GLN A 27 -12.812 18.783 -15.814 1.00 0.00 O ATOM 452 CB GLN A 27 -16.177 19.448 -15.301 1.00 0.00 C ATOM 453 CG GLN A 27 -15.708 19.714 -13.875 1.00 0.00 C ATOM 454 CD GLN A 27 -16.546 20.754 -13.157 1.00 0.00 C ATOM 455 OE1 GLN A 27 -17.541 20.429 -12.515 1.00 0.00 O ATOM 456 NE2 GLN A 27 -16.137 22.012 -13.251 1.00 0.00 N ATOM 0 H GLN A 27 -14.988 17.294 -14.505 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.580 18.483 -17.131 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.342 20.400 -15.805 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -17.137 18.933 -15.269 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.734 18.782 -13.310 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -14.670 20.044 -13.896 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -15.304 22.238 -13.795 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.655 22.753 -12.779 1.00 0.00 H new ATOM 465 N GLU A 28 -13.870 20.582 -16.651 1.00 0.00 N ATOM 466 CA GLU A 28 -12.695 21.436 -16.604 1.00 0.00 C ATOM 467 C GLU A 28 -12.625 22.041 -15.207 1.00 0.00 C ATOM 468 O GLU A 28 -13.638 22.532 -14.699 1.00 0.00 O ATOM 469 CB GLU A 28 -12.784 22.525 -17.680 1.00 0.00 C ATOM 470 CG GLU A 28 -11.440 22.937 -18.272 1.00 0.00 C ATOM 471 CD GLU A 28 -10.552 23.682 -17.297 1.00 0.00 C ATOM 472 OE1 GLU A 28 -10.719 24.912 -17.158 1.00 0.00 O ATOM 473 OE2 GLU A 28 -9.675 23.045 -16.676 1.00 0.00 O ATOM 0 H GLU A 28 -14.692 21.019 -17.067 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.790 20.863 -16.805 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.429 22.172 -18.485 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.263 23.405 -17.251 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.917 22.046 -18.620 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.614 23.565 -19.145 1.00 0.00 H new ATOM 480 N VAL A 29 -11.449 21.994 -14.590 1.00 0.00 N ATOM 481 CA VAL A 29 -11.310 22.293 -13.167 1.00 0.00 C ATOM 482 C VAL A 29 -12.169 21.307 -12.380 1.00 0.00 C ATOM 483 O VAL A 29 -13.204 21.658 -11.811 1.00 0.00 O ATOM 484 CB VAL A 29 -11.714 23.746 -12.809 1.00 0.00 C ATOM 485 CG1 VAL A 29 -11.417 24.046 -11.346 1.00 0.00 C ATOM 486 CG2 VAL A 29 -11.002 24.743 -13.711 1.00 0.00 C ATOM 0 H VAL A 29 -10.574 21.751 -15.055 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.256 22.194 -12.906 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.788 23.845 -12.968 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -11.709 25.071 -11.118 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.979 23.360 -10.713 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.350 23.922 -11.158 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.301 25.756 -13.441 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.924 24.638 -13.589 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.270 24.550 -14.750 1.00 0.00 H new ATOM 496 N SER A 30 -11.752 20.054 -12.399 1.00 0.00 N ATOM 497 CA SER A 30 -12.549 18.980 -11.840 1.00 0.00 C ATOM 498 C SER A 30 -12.046 18.542 -10.470 1.00 0.00 C ATOM 499 O SER A 30 -10.902 18.105 -10.323 1.00 0.00 O ATOM 500 CB SER A 30 -12.558 17.799 -12.807 1.00 0.00 C ATOM 501 OG SER A 30 -11.323 17.702 -13.501 1.00 0.00 O ATOM 0 H SER A 30 -10.862 19.755 -12.798 1.00 0.00 H new ATOM 0 HA SER A 30 -13.564 19.352 -11.701 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.745 16.876 -12.258 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.373 17.915 -13.521 1.00 0.00 H new ATOM 0 HG SER A 30 -11.441 18.012 -14.423 1.00 0.00 H new ATOM 507 N PRO A 31 -12.896 18.679 -9.446 1.00 0.00 N ATOM 508 CA PRO A 31 -12.638 18.143 -8.122 1.00 0.00 C ATOM 509 C PRO A 31 -13.196 16.727 -7.991 1.00 0.00 C ATOM 510 O PRO A 31 -13.392 16.038 -8.993 1.00 0.00 O ATOM 511 CB PRO A 31 -13.397 19.114 -7.222 1.00 0.00 C ATOM 512 CG PRO A 31 -14.556 19.583 -8.043 1.00 0.00 C ATOM 513 CD PRO A 31 -14.188 19.385 -9.497 1.00 0.00 C ATOM 0 HA PRO A 31 -11.578 18.063 -7.881 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -13.734 18.623 -6.309 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -12.764 19.949 -6.921 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -15.456 19.020 -7.794 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -14.771 20.632 -7.841 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -14.942 18.800 -10.023 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -14.102 20.337 -10.020 1.00 0.00 H new ATOM 521 N ALA A 32 -13.456 16.297 -6.766 1.00 0.00 N ATOM 522 CA ALA A 32 -14.042 14.985 -6.533 1.00 0.00 C ATOM 523 C ALA A 32 -15.021 15.037 -5.370 1.00 0.00 C ATOM 524 O ALA A 32 -16.236 15.058 -5.569 1.00 0.00 O ATOM 525 CB ALA A 32 -12.958 13.949 -6.274 1.00 0.00 C ATOM 0 H ALA A 32 -13.271 16.835 -5.920 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.587 14.690 -7.430 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.418 12.976 -6.102 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -12.297 13.890 -7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -12.381 14.238 -5.395 1.00 0.00 H new ATOM 531 N GLY A 33 -14.484 15.078 -4.161 1.00 0.00 N ATOM 532 CA GLY A 33 -15.312 15.134 -2.977 1.00 0.00 C ATOM 533 C GLY A 33 -14.690 14.373 -1.830 1.00 0.00 C ATOM 534 O GLY A 33 -13.595 13.822 -1.970 1.00 0.00 O ATOM 0 H GLY A 33 -13.480 15.073 -3.979 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.463 16.174 -2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.295 14.719 -3.199 1.00 0.00 H new ATOM 538 N THR A 34 -15.379 14.343 -0.702 1.00 0.00 N ATOM 539 CA THR A 34 -14.900 13.633 0.471 1.00 0.00 C ATOM 540 C THR A 34 -14.894 12.126 0.219 1.00 0.00 C ATOM 541 O THR A 34 -15.943 11.483 0.175 1.00 0.00 O ATOM 542 CB THR A 34 -15.771 13.953 1.701 1.00 0.00 C ATOM 543 OG1 THR A 34 -15.950 15.375 1.812 1.00 0.00 O ATOM 544 CG2 THR A 34 -15.128 13.418 2.972 1.00 0.00 C ATOM 0 H THR A 34 -16.279 14.806 -0.574 1.00 0.00 H new ATOM 0 HA THR A 34 -13.881 13.964 0.670 1.00 0.00 H new ATOM 0 HB THR A 34 -16.740 13.471 1.573 1.00 0.00 H new ATOM 0 HG1 THR A 34 -16.506 15.575 2.594 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.760 13.656 3.827 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.013 12.337 2.895 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.149 13.878 3.106 1.00 0.00 H new ATOM 552 N SER A 35 -13.705 11.577 0.030 1.00 0.00 N ATOM 553 CA SER A 35 -13.557 10.168 -0.281 1.00 0.00 C ATOM 554 C SER A 35 -13.518 9.331 0.994 1.00 0.00 C ATOM 555 O SER A 35 -12.607 9.466 1.807 1.00 0.00 O ATOM 556 CB SER A 35 -12.280 9.960 -1.093 1.00 0.00 C ATOM 557 OG SER A 35 -12.247 10.839 -2.205 1.00 0.00 O ATOM 0 H SER A 35 -12.825 12.090 0.087 1.00 0.00 H new ATOM 0 HA SER A 35 -14.416 9.844 -0.868 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.409 10.132 -0.461 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.226 8.927 -1.437 1.00 0.00 H new ATOM 0 HG SER A 35 -11.422 10.693 -2.713 1.00 0.00 H new ATOM 563 N MET A 36 -14.525 8.483 1.170 1.00 0.00 N ATOM 564 CA MET A 36 -14.564 7.577 2.314 1.00 0.00 C ATOM 565 C MET A 36 -13.660 6.376 2.064 1.00 0.00 C ATOM 566 O MET A 36 -13.263 5.672 2.991 1.00 0.00 O ATOM 567 CB MET A 36 -15.996 7.111 2.594 1.00 0.00 C ATOM 568 CG MET A 36 -16.956 8.245 2.926 1.00 0.00 C ATOM 569 SD MET A 36 -16.389 9.269 4.300 1.00 0.00 S ATOM 570 CE MET A 36 -16.301 8.060 5.620 1.00 0.00 C ATOM 0 H MET A 36 -15.322 8.403 0.539 1.00 0.00 H new ATOM 0 HA MET A 36 -14.204 8.117 3.190 1.00 0.00 H new ATOM 0 HB2 MET A 36 -16.370 6.574 1.723 1.00 0.00 H new ATOM 0 HB3 MET A 36 -15.983 6.404 3.423 1.00 0.00 H new ATOM 0 HG2 MET A 36 -17.089 8.871 2.044 1.00 0.00 H new ATOM 0 HG3 MET A 36 -17.933 7.827 3.170 1.00 0.00 H new ATOM 0 HE1 MET A 36 -16.192 8.572 6.576 1.00 0.00 H new ATOM 0 HE2 MET A 36 -17.214 7.465 5.630 1.00 0.00 H new ATOM 0 HE3 MET A 36 -15.444 7.407 5.458 1.00 0.00 H new ATOM 580 N ARG A 37 -13.349 6.144 0.796 1.00 0.00 N ATOM 581 CA ARG A 37 -12.405 5.109 0.416 1.00 0.00 C ATOM 582 C ARG A 37 -11.150 5.761 -0.140 1.00 0.00 C ATOM 583 O ARG A 37 -11.115 6.160 -1.303 1.00 0.00 O ATOM 584 CB ARG A 37 -13.011 4.162 -0.624 1.00 0.00 C ATOM 585 CG ARG A 37 -14.271 3.453 -0.154 1.00 0.00 C ATOM 586 CD ARG A 37 -14.817 2.513 -1.220 1.00 0.00 C ATOM 587 NE ARG A 37 -15.022 3.192 -2.499 1.00 0.00 N ATOM 588 CZ ARG A 37 -16.188 3.704 -2.896 1.00 0.00 C ATOM 589 NH1 ARG A 37 -17.270 3.574 -2.136 1.00 0.00 N ATOM 590 NH2 ARG A 37 -16.276 4.321 -4.067 1.00 0.00 N ATOM 0 H ARG A 37 -13.741 6.664 0.011 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.157 4.519 1.298 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.240 4.729 -1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.266 3.415 -0.898 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.055 2.889 0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.030 4.192 0.104 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.126 1.682 -1.358 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -15.762 2.089 -0.880 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.223 3.280 -3.127 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -17.211 3.081 -1.245 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -18.160 3.967 -2.444 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.452 4.404 -4.663 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.167 4.713 -4.371 1.00 0.00 H new ATOM 604 N TYR A 38 -10.146 5.902 0.708 1.00 0.00 N ATOM 605 CA TYR A 38 -8.898 6.542 0.322 1.00 0.00 C ATOM 606 C TYR A 38 -8.042 5.565 -0.466 1.00 0.00 C ATOM 607 O TYR A 38 -8.296 4.363 -0.448 1.00 0.00 O ATOM 608 CB TYR A 38 -8.129 7.004 1.564 1.00 0.00 C ATOM 609 CG TYR A 38 -8.964 7.789 2.550 1.00 0.00 C ATOM 610 CD1 TYR A 38 -9.679 7.141 3.549 1.00 0.00 C ATOM 611 CD2 TYR A 38 -9.040 9.174 2.482 1.00 0.00 C ATOM 612 CE1 TYR A 38 -10.443 7.848 4.454 1.00 0.00 C ATOM 613 CE2 TYR A 38 -9.802 9.889 3.385 1.00 0.00 C ATOM 614 CZ TYR A 38 -10.503 9.220 4.367 1.00 0.00 C ATOM 615 OH TYR A 38 -11.265 9.926 5.269 1.00 0.00 O ATOM 0 H TYR A 38 -10.171 5.580 1.675 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.128 7.409 -0.297 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.716 6.130 2.068 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.286 7.618 1.248 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.636 6.064 3.618 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.495 9.700 1.712 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.991 7.328 5.226 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.849 10.966 3.323 1.00 0.00 H new ATOM 0 HH TYR A 38 -11.201 10.884 5.073 1.00 0.00 H new ATOM 625 N GLU A 39 -7.035 6.070 -1.152 1.00 0.00 N ATOM 626 CA GLU A 39 -6.108 5.210 -1.863 1.00 0.00 C ATOM 627 C GLU A 39 -4.679 5.585 -1.492 1.00 0.00 C ATOM 628 O GLU A 39 -4.360 6.763 -1.319 1.00 0.00 O ATOM 629 CB GLU A 39 -6.326 5.294 -3.381 1.00 0.00 C ATOM 630 CG GLU A 39 -7.760 5.008 -3.807 1.00 0.00 C ATOM 631 CD GLU A 39 -7.886 4.575 -5.257 1.00 0.00 C ATOM 632 OE1 GLU A 39 -7.163 5.110 -6.122 1.00 0.00 O ATOM 633 OE2 GLU A 39 -8.714 3.682 -5.542 1.00 0.00 O ATOM 0 H GLU A 39 -6.838 7.068 -1.232 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.290 4.176 -1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.045 6.289 -3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.661 4.586 -3.875 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.172 4.229 -3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.363 5.902 -3.649 1.00 0.00 H new ATOM 640 N ALA A 40 -3.827 4.587 -1.350 1.00 0.00 N ATOM 641 CA ALA A 40 -2.454 4.824 -0.937 1.00 0.00 C ATOM 642 C ALA A 40 -1.485 4.362 -2.007 1.00 0.00 C ATOM 643 O ALA A 40 -1.643 3.282 -2.578 1.00 0.00 O ATOM 644 CB ALA A 40 -2.162 4.122 0.380 1.00 0.00 C ATOM 0 H ALA A 40 -4.059 3.607 -1.514 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.323 5.897 -0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.129 4.312 0.672 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.833 4.501 1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.315 3.049 0.262 1.00 0.00 H new ATOM 650 N SER A 41 -0.492 5.185 -2.279 1.00 0.00 N ATOM 651 CA SER A 41 0.492 4.879 -3.295 1.00 0.00 C ATOM 652 C SER A 41 1.717 4.214 -2.680 1.00 0.00 C ATOM 653 O SER A 41 2.276 4.705 -1.694 1.00 0.00 O ATOM 654 CB SER A 41 0.894 6.158 -4.027 1.00 0.00 C ATOM 655 OG SER A 41 -0.249 6.825 -4.542 1.00 0.00 O ATOM 0 H SER A 41 -0.346 6.077 -1.806 1.00 0.00 H new ATOM 0 HA SER A 41 0.051 4.182 -4.008 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.430 6.819 -3.346 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.577 5.917 -4.841 1.00 0.00 H new ATOM 0 HG SER A 41 -0.619 6.311 -5.290 1.00 0.00 H new ATOM 661 N PHE A 42 2.112 3.092 -3.255 1.00 0.00 N ATOM 662 CA PHE A 42 3.310 2.393 -2.835 1.00 0.00 C ATOM 663 C PHE A 42 4.426 2.664 -3.829 1.00 0.00 C ATOM 664 O PHE A 42 4.244 2.517 -5.041 1.00 0.00 O ATOM 665 CB PHE A 42 3.049 0.889 -2.727 1.00 0.00 C ATOM 666 CG PHE A 42 1.995 0.533 -1.717 1.00 0.00 C ATOM 667 CD1 PHE A 42 2.315 0.412 -0.376 1.00 0.00 C ATOM 668 CD2 PHE A 42 0.681 0.324 -2.109 1.00 0.00 C ATOM 669 CE1 PHE A 42 1.349 0.086 0.555 1.00 0.00 C ATOM 670 CE2 PHE A 42 -0.290 -0.003 -1.182 1.00 0.00 C ATOM 671 CZ PHE A 42 0.045 -0.121 0.153 1.00 0.00 C ATOM 0 H PHE A 42 1.613 2.643 -4.023 1.00 0.00 H new ATOM 0 HA PHE A 42 3.606 2.756 -1.851 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.748 0.510 -3.703 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.979 0.385 -2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.333 0.575 -0.054 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.414 0.418 -3.151 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.614 -0.007 1.598 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.309 -0.166 -1.501 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.712 -0.375 0.881 1.00 0.00 H new ATOM 681 N LYS A 43 5.574 3.057 -3.311 1.00 0.00 N ATOM 682 CA LYS A 43 6.681 3.495 -4.136 1.00 0.00 C ATOM 683 C LYS A 43 7.644 2.344 -4.399 1.00 0.00 C ATOM 684 O LYS A 43 8.177 1.741 -3.459 1.00 0.00 O ATOM 685 CB LYS A 43 7.421 4.635 -3.439 1.00 0.00 C ATOM 686 CG LYS A 43 8.046 5.634 -4.392 1.00 0.00 C ATOM 687 CD LYS A 43 8.824 6.698 -3.639 1.00 0.00 C ATOM 688 CE LYS A 43 9.060 7.923 -4.502 1.00 0.00 C ATOM 689 NZ LYS A 43 7.804 8.688 -4.726 1.00 0.00 N ATOM 0 H LYS A 43 5.764 3.081 -2.309 1.00 0.00 H new ATOM 0 HA LYS A 43 6.287 3.843 -5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.726 5.159 -2.783 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.202 4.215 -2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.710 5.115 -5.083 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.267 6.105 -4.992 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.277 6.984 -2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.781 6.290 -3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.799 8.567 -4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.476 7.617 -5.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.757 8.995 -5.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.986 8.083 -4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.790 9.522 -4.105 1.00 0.00 H new ATOM 703 N PRO A 44 7.860 2.014 -5.681 1.00 0.00 N ATOM 704 CA PRO A 44 8.805 0.978 -6.084 1.00 0.00 C ATOM 705 C PRO A 44 10.246 1.437 -5.913 1.00 0.00 C ATOM 706 O PRO A 44 10.693 2.376 -6.574 1.00 0.00 O ATOM 707 CB PRO A 44 8.493 0.743 -7.572 1.00 0.00 C ATOM 708 CG PRO A 44 7.240 1.507 -7.851 1.00 0.00 C ATOM 709 CD PRO A 44 7.192 2.614 -6.841 1.00 0.00 C ATOM 0 HA PRO A 44 8.704 0.078 -5.478 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.311 1.090 -8.203 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.358 -0.318 -7.780 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.245 1.906 -8.866 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.364 0.864 -7.765 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.711 3.506 -7.192 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.168 2.910 -6.612 1.00 0.00 H new ATOM 717 N LEU A 45 10.965 0.771 -5.016 1.00 0.00 N ATOM 718 CA LEU A 45 12.360 1.102 -4.737 1.00 0.00 C ATOM 719 C LEU A 45 13.224 0.999 -5.989 1.00 0.00 C ATOM 720 O LEU A 45 14.158 1.772 -6.174 1.00 0.00 O ATOM 721 CB LEU A 45 12.914 0.177 -3.652 1.00 0.00 C ATOM 722 CG LEU A 45 12.330 0.384 -2.254 1.00 0.00 C ATOM 723 CD1 LEU A 45 12.833 -0.690 -1.302 1.00 0.00 C ATOM 724 CD2 LEU A 45 12.690 1.767 -1.731 1.00 0.00 C ATOM 0 H LEU A 45 10.602 -0.007 -4.465 1.00 0.00 H new ATOM 0 HA LEU A 45 12.390 2.135 -4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.736 -0.855 -3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.994 0.312 -3.600 1.00 0.00 H new ATOM 0 HG LEU A 45 11.245 0.307 -2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.407 -0.527 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.533 -1.671 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.920 -0.643 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.268 1.901 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.774 1.866 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.286 2.526 -2.401 1.00 0.00 H new ATOM 736 N ASN A 46 12.894 0.057 -6.862 1.00 0.00 N ATOM 737 CA ASN A 46 13.704 -0.192 -8.051 1.00 0.00 C ATOM 738 C ASN A 46 13.220 0.636 -9.228 1.00 0.00 C ATOM 739 O ASN A 46 13.516 0.333 -10.383 1.00 0.00 O ATOM 740 CB ASN A 46 13.681 -1.679 -8.416 1.00 0.00 C ATOM 741 CG ASN A 46 14.074 -2.574 -7.256 1.00 0.00 C ATOM 742 OD1 ASN A 46 13.215 -3.050 -6.511 1.00 0.00 O ATOM 743 ND2 ASN A 46 15.367 -2.790 -7.081 1.00 0.00 N ATOM 0 H ASN A 46 12.076 -0.546 -6.772 1.00 0.00 H new ATOM 0 HA ASN A 46 14.728 0.102 -7.821 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.681 -1.950 -8.756 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.360 -1.854 -9.251 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.687 -3.370 -6.305 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.044 -2.376 -7.722 1.00 0.00 H new ATOM 750 N GLY A 47 12.497 1.696 -8.923 1.00 0.00 N ATOM 751 CA GLY A 47 11.948 2.547 -9.956 1.00 0.00 C ATOM 752 C GLY A 47 10.664 1.989 -10.536 1.00 0.00 C ATOM 753 O GLY A 47 10.498 0.774 -10.653 1.00 0.00 O ATOM 0 H GLY A 47 12.277 1.987 -7.970 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.758 3.538 -9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.682 2.668 -10.753 1.00 0.00 H new ATOM 757 N GLY A 48 9.751 2.876 -10.890 1.00 0.00 N ATOM 758 CA GLY A 48 8.490 2.456 -11.458 1.00 0.00 C ATOM 759 C GLY A 48 7.376 3.416 -11.111 1.00 0.00 C ATOM 760 O GLY A 48 7.610 4.427 -10.445 1.00 0.00 O ATOM 0 H GLY A 48 9.861 3.885 -10.794 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.584 2.384 -12.541 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.240 1.460 -11.093 1.00 0.00 H new ATOM 764 N LEU A 49 6.170 3.110 -11.556 1.00 0.00 N ATOM 765 CA LEU A 49 5.013 3.927 -11.227 1.00 0.00 C ATOM 766 C LEU A 49 4.477 3.537 -9.860 1.00 0.00 C ATOM 767 O LEU A 49 4.434 2.354 -9.519 1.00 0.00 O ATOM 768 CB LEU A 49 3.922 3.773 -12.287 1.00 0.00 C ATOM 769 CG LEU A 49 4.293 4.287 -13.677 1.00 0.00 C ATOM 770 CD1 LEU A 49 3.176 3.997 -14.666 1.00 0.00 C ATOM 771 CD2 LEU A 49 4.591 5.779 -13.632 1.00 0.00 C ATOM 0 H LEU A 49 5.965 2.303 -12.145 1.00 0.00 H new ATOM 0 HA LEU A 49 5.321 4.972 -11.205 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.659 2.718 -12.365 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.030 4.300 -11.948 1.00 0.00 H new ATOM 0 HG LEU A 49 5.191 3.767 -14.009 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.456 4.370 -15.651 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.007 2.921 -14.719 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.262 4.492 -14.338 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.853 6.128 -14.631 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.710 6.316 -13.280 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.423 5.963 -12.953 1.00 0.00 H new ATOM 783 N GLU A 50 4.085 4.531 -9.077 1.00 0.00 N ATOM 784 CA GLU A 50 3.588 4.285 -7.730 1.00 0.00 C ATOM 785 C GLU A 50 2.261 3.541 -7.778 1.00 0.00 C ATOM 786 O GLU A 50 1.313 3.969 -8.442 1.00 0.00 O ATOM 787 CB GLU A 50 3.436 5.601 -6.962 1.00 0.00 C ATOM 788 CG GLU A 50 4.709 6.429 -6.935 1.00 0.00 C ATOM 789 CD GLU A 50 4.638 7.589 -5.963 1.00 0.00 C ATOM 790 OE1 GLU A 50 3.833 8.520 -6.190 1.00 0.00 O ATOM 791 OE2 GLU A 50 5.399 7.577 -4.976 1.00 0.00 O ATOM 0 H GLU A 50 4.101 5.514 -9.350 1.00 0.00 H new ATOM 0 HA GLU A 50 4.314 3.663 -7.206 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.638 6.189 -7.415 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.130 5.384 -5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.548 5.787 -6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.908 6.812 -7.936 1.00 0.00 H new ATOM 798 N LYS A 51 2.204 2.417 -7.076 1.00 0.00 N ATOM 799 CA LYS A 51 1.017 1.580 -7.071 1.00 0.00 C ATOM 800 C LYS A 51 0.006 2.115 -6.068 1.00 0.00 C ATOM 801 O LYS A 51 0.181 1.966 -4.863 1.00 0.00 O ATOM 802 CB LYS A 51 1.380 0.133 -6.715 1.00 0.00 C ATOM 803 CG LYS A 51 2.434 -0.486 -7.620 1.00 0.00 C ATOM 804 CD LYS A 51 2.689 -1.938 -7.243 1.00 0.00 C ATOM 805 CE LYS A 51 3.804 -2.558 -8.072 1.00 0.00 C ATOM 806 NZ LYS A 51 3.515 -2.521 -9.530 1.00 0.00 N ATOM 0 H LYS A 51 2.970 2.065 -6.502 1.00 0.00 H new ATOM 0 HA LYS A 51 0.579 1.597 -8.069 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.738 0.103 -5.686 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.478 -0.477 -6.757 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.107 -0.428 -8.658 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.362 0.081 -7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.948 -1.997 -6.186 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.773 -2.514 -7.380 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.736 -2.028 -7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.953 -3.592 -7.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.234 -3.072 -10.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.575 -2.929 -9.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.533 -1.536 -9.863 1.00 0.00 H new ATOM 820 N THR A 52 -1.034 2.756 -6.569 1.00 0.00 N ATOM 821 CA THR A 52 -2.049 3.341 -5.711 1.00 0.00 C ATOM 822 C THR A 52 -3.236 2.394 -5.561 1.00 0.00 C ATOM 823 O THR A 52 -4.010 2.196 -6.500 1.00 0.00 O ATOM 824 CB THR A 52 -2.525 4.690 -6.284 1.00 0.00 C ATOM 825 OG1 THR A 52 -1.385 5.490 -6.637 1.00 0.00 O ATOM 826 CG2 THR A 52 -3.380 5.442 -5.276 1.00 0.00 C ATOM 0 H THR A 52 -1.198 2.885 -7.567 1.00 0.00 H new ATOM 0 HA THR A 52 -1.608 3.509 -4.728 1.00 0.00 H new ATOM 0 HB THR A 52 -3.131 4.493 -7.169 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.688 6.347 -7.003 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.702 6.390 -5.707 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.255 4.843 -5.022 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.797 5.633 -4.375 1.00 0.00 H new ATOM 834 N PHE A 53 -3.363 1.794 -4.385 1.00 0.00 N ATOM 835 CA PHE A 53 -4.443 0.852 -4.119 1.00 0.00 C ATOM 836 C PHE A 53 -5.447 1.452 -3.144 1.00 0.00 C ATOM 837 O PHE A 53 -5.096 2.306 -2.330 1.00 0.00 O ATOM 838 CB PHE A 53 -3.893 -0.465 -3.569 1.00 0.00 C ATOM 839 CG PHE A 53 -2.992 -1.188 -4.529 1.00 0.00 C ATOM 840 CD1 PHE A 53 -3.497 -1.725 -5.702 1.00 0.00 C ATOM 841 CD2 PHE A 53 -1.641 -1.329 -4.259 1.00 0.00 C ATOM 842 CE1 PHE A 53 -2.671 -2.389 -6.589 1.00 0.00 C ATOM 843 CE2 PHE A 53 -0.810 -1.993 -5.141 1.00 0.00 C ATOM 844 CZ PHE A 53 -1.327 -2.524 -6.308 1.00 0.00 C ATOM 0 H PHE A 53 -2.731 1.943 -3.599 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.951 0.645 -5.061 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.344 -0.264 -2.649 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.727 -1.116 -3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.549 -1.624 -5.926 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.232 -0.915 -3.349 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.077 -2.802 -7.501 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.242 -2.097 -4.919 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.680 -3.044 -6.999 1.00 0.00 H new ATOM 854 N ARG A 54 -6.687 0.995 -3.227 1.00 0.00 N ATOM 855 CA ARG A 54 -7.770 1.569 -2.441 1.00 0.00 C ATOM 856 C ARG A 54 -7.840 0.932 -1.057 1.00 0.00 C ATOM 857 O ARG A 54 -7.587 -0.263 -0.895 1.00 0.00 O ATOM 858 CB ARG A 54 -9.091 1.386 -3.179 1.00 0.00 C ATOM 859 CG ARG A 54 -10.189 2.325 -2.715 1.00 0.00 C ATOM 860 CD ARG A 54 -11.399 2.234 -3.624 1.00 0.00 C ATOM 861 NE ARG A 54 -11.030 2.409 -5.030 1.00 0.00 N ATOM 862 CZ ARG A 54 -11.718 1.895 -6.050 1.00 0.00 C ATOM 863 NH1 ARG A 54 -12.817 1.188 -5.827 1.00 0.00 N ATOM 864 NH2 ARG A 54 -11.293 2.070 -7.296 1.00 0.00 N ATOM 0 H ARG A 54 -6.970 0.225 -3.833 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.577 2.634 -2.308 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.924 1.537 -4.246 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.428 0.357 -3.051 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.477 2.077 -1.693 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.816 3.349 -2.701 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.882 1.266 -3.492 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.126 2.995 -3.340 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.196 2.957 -5.242 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.140 1.035 -4.872 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.340 0.797 -6.611 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.439 2.598 -7.474 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.821 1.676 -8.075 1.00 0.00 H new ATOM 878 N LEU A 55 -8.191 1.738 -0.067 1.00 0.00 N ATOM 879 CA LEU A 55 -8.201 1.298 1.319 1.00 0.00 C ATOM 880 C LEU A 55 -9.520 1.632 2.004 1.00 0.00 C ATOM 881 O LEU A 55 -10.214 2.577 1.626 1.00 0.00 O ATOM 882 CB LEU A 55 -7.070 1.984 2.084 1.00 0.00 C ATOM 883 CG LEU A 55 -5.664 1.743 1.542 1.00 0.00 C ATOM 884 CD1 LEU A 55 -4.674 2.636 2.262 1.00 0.00 C ATOM 885 CD2 LEU A 55 -5.272 0.281 1.694 1.00 0.00 C ATOM 0 H LEU A 55 -8.475 2.709 -0.200 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.069 0.216 1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.258 3.058 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.102 1.650 3.121 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.652 1.987 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.672 2.459 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.945 3.680 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.691 2.412 3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.266 0.131 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.295 0.006 2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.974 -0.343 1.141 1.00 0.00 H new ATOM 897 N GLN A 56 -9.854 0.840 3.010 1.00 0.00 N ATOM 898 CA GLN A 56 -10.936 1.168 3.929 1.00 0.00 C ATOM 899 C GLN A 56 -10.349 1.965 5.086 1.00 0.00 C ATOM 900 O GLN A 56 -9.135 1.966 5.262 1.00 0.00 O ATOM 901 CB GLN A 56 -11.592 -0.108 4.463 1.00 0.00 C ATOM 902 CG GLN A 56 -12.226 -0.976 3.390 1.00 0.00 C ATOM 903 CD GLN A 56 -12.682 -2.318 3.931 1.00 0.00 C ATOM 904 OE1 GLN A 56 -12.085 -2.862 4.862 1.00 0.00 O ATOM 905 NE2 GLN A 56 -13.745 -2.859 3.361 1.00 0.00 N ATOM 0 H GLN A 56 -9.387 -0.044 3.213 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.697 1.750 3.409 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.842 -0.695 4.993 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.355 0.166 5.191 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.079 -0.452 2.959 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -11.509 -1.136 2.585 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.212 -2.378 2.593 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -14.098 -3.758 3.690 1.00 0.00 H new ATOM 914 N ALA A 57 -11.187 2.633 5.869 1.00 0.00 N ATOM 915 CA ALA A 57 -10.710 3.405 7.017 1.00 0.00 C ATOM 916 C ALA A 57 -9.908 2.524 7.981 1.00 0.00 C ATOM 917 O ALA A 57 -8.880 2.945 8.518 1.00 0.00 O ATOM 918 CB ALA A 57 -11.877 4.061 7.739 1.00 0.00 C ATOM 0 H ALA A 57 -12.198 2.658 5.733 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.047 4.186 6.645 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.504 4.631 8.590 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.399 4.730 7.055 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.566 3.293 8.091 1.00 0.00 H new ATOM 924 N GLN A 58 -10.382 1.298 8.180 1.00 0.00 N ATOM 925 CA GLN A 58 -9.698 0.331 9.034 1.00 0.00 C ATOM 926 C GLN A 58 -8.315 -0.003 8.472 1.00 0.00 C ATOM 927 O GLN A 58 -7.328 -0.040 9.205 1.00 0.00 O ATOM 928 CB GLN A 58 -10.548 -0.937 9.161 1.00 0.00 C ATOM 929 CG GLN A 58 -9.949 -2.002 10.067 1.00 0.00 C ATOM 930 CD GLN A 58 -10.841 -3.223 10.181 1.00 0.00 C ATOM 931 OE1 GLN A 58 -10.741 -4.155 9.383 1.00 0.00 O ATOM 932 NE2 GLN A 58 -11.719 -3.228 11.173 1.00 0.00 N ATOM 0 H GLN A 58 -11.243 0.948 7.759 1.00 0.00 H new ATOM 0 HA GLN A 58 -9.562 0.768 10.023 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.532 -0.664 9.541 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.696 -1.362 8.168 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.975 -2.300 9.680 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -9.783 -1.582 11.059 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -11.770 -2.435 11.813 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -12.344 -4.024 11.297 1.00 0.00 H new ATOM 941 N GLN A 59 -8.249 -0.226 7.162 1.00 0.00 N ATOM 942 CA GLN A 59 -6.983 -0.516 6.489 1.00 0.00 C ATOM 943 C GLN A 59 -6.088 0.721 6.512 1.00 0.00 C ATOM 944 O GLN A 59 -4.880 0.632 6.702 1.00 0.00 O ATOM 945 CB GLN A 59 -7.239 -0.939 5.038 1.00 0.00 C ATOM 946 CG GLN A 59 -8.210 -2.103 4.896 1.00 0.00 C ATOM 947 CD GLN A 59 -7.674 -3.396 5.477 1.00 0.00 C ATOM 948 OE1 GLN A 59 -6.469 -3.641 5.474 1.00 0.00 O ATOM 949 NE2 GLN A 59 -8.568 -4.233 5.978 1.00 0.00 N ATOM 0 H GLN A 59 -9.059 -0.212 6.543 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.486 -1.332 7.014 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.628 -0.085 4.484 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.290 -1.212 4.577 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.147 -1.850 5.391 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.438 -2.252 3.841 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.559 -3.991 5.961 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -8.266 -5.120 6.381 1.00 0.00 H new ATOM 958 N TYR A 60 -6.723 1.870 6.330 1.00 0.00 N ATOM 959 CA TYR A 60 -6.071 3.177 6.334 1.00 0.00 C ATOM 960 C TYR A 60 -5.274 3.404 7.620 1.00 0.00 C ATOM 961 O TYR A 60 -4.229 4.052 7.603 1.00 0.00 O ATOM 962 CB TYR A 60 -7.171 4.235 6.159 1.00 0.00 C ATOM 963 CG TYR A 60 -6.758 5.681 6.309 1.00 0.00 C ATOM 964 CD1 TYR A 60 -6.175 6.374 5.257 1.00 0.00 C ATOM 965 CD2 TYR A 60 -7.000 6.366 7.493 1.00 0.00 C ATOM 966 CE1 TYR A 60 -5.837 7.707 5.384 1.00 0.00 C ATOM 967 CE2 TYR A 60 -6.673 7.701 7.626 1.00 0.00 C ATOM 968 CZ TYR A 60 -6.092 8.366 6.571 1.00 0.00 C ATOM 969 OH TYR A 60 -5.779 9.703 6.693 1.00 0.00 O ATOM 0 H TYR A 60 -7.729 1.923 6.172 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.349 3.242 5.520 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.609 4.108 5.169 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -7.958 4.030 6.885 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.983 5.863 4.325 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.452 5.845 8.324 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.376 8.231 4.560 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.872 8.220 8.552 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.022 10.015 7.589 1.00 0.00 H new ATOM 979 N HIS A 61 -5.766 2.855 8.727 1.00 0.00 N ATOM 980 CA HIS A 61 -5.070 2.954 10.010 1.00 0.00 C ATOM 981 C HIS A 61 -3.719 2.232 9.967 1.00 0.00 C ATOM 982 O HIS A 61 -2.775 2.627 10.649 1.00 0.00 O ATOM 983 CB HIS A 61 -5.941 2.373 11.135 1.00 0.00 C ATOM 984 CG HIS A 61 -5.280 2.364 12.486 1.00 0.00 C ATOM 985 ND1 HIS A 61 -5.420 3.384 13.403 1.00 0.00 N ATOM 986 CD2 HIS A 61 -4.474 1.448 13.072 1.00 0.00 C ATOM 987 CE1 HIS A 61 -4.726 3.097 14.488 1.00 0.00 C ATOM 988 NE2 HIS A 61 -4.143 1.927 14.314 1.00 0.00 N ATOM 0 H HIS A 61 -6.644 2.337 8.763 1.00 0.00 H new ATOM 0 HA HIS A 61 -4.885 4.010 10.209 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -6.864 2.949 11.199 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.220 1.352 10.873 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.151 0.512 12.641 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.649 3.716 15.370 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -3.544 1.456 14.992 1.00 0.00 H new ATOM 997 N ALA A 62 -3.630 1.184 9.162 1.00 0.00 N ATOM 998 CA ALA A 62 -2.435 0.350 9.124 1.00 0.00 C ATOM 999 C ALA A 62 -1.421 0.874 8.114 1.00 0.00 C ATOM 1000 O ALA A 62 -0.300 0.371 8.025 1.00 0.00 O ATOM 1001 CB ALA A 62 -2.808 -1.088 8.799 1.00 0.00 C ATOM 0 H ALA A 62 -4.371 0.890 8.525 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.972 0.384 10.110 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.907 -1.701 8.774 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.485 -1.470 9.563 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.300 -1.126 7.827 1.00 0.00 H new ATOM 1007 N LEU A 63 -1.813 1.886 7.357 1.00 0.00 N ATOM 1008 CA LEU A 63 -0.937 2.460 6.351 1.00 0.00 C ATOM 1009 C LEU A 63 -0.176 3.654 6.906 1.00 0.00 C ATOM 1010 O LEU A 63 -0.648 4.790 6.858 1.00 0.00 O ATOM 1011 CB LEU A 63 -1.723 2.860 5.099 1.00 0.00 C ATOM 1012 CG LEU A 63 -1.849 1.772 4.028 1.00 0.00 C ATOM 1013 CD1 LEU A 63 -0.479 1.375 3.516 1.00 0.00 C ATOM 1014 CD2 LEU A 63 -2.585 0.554 4.564 1.00 0.00 C ATOM 0 H LEU A 63 -2.731 2.326 7.421 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.213 1.695 6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.724 3.166 5.402 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.244 3.732 4.653 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.431 2.180 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.585 0.601 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.013 2.245 3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.121 0.993 4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.659 -0.201 3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.039 0.143 5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.586 0.845 4.883 1.00 0.00 H new ATOM 1026 N THR A 64 0.996 3.384 7.455 1.00 0.00 N ATOM 1027 CA THR A 64 1.841 4.433 7.992 1.00 0.00 C ATOM 1028 C THR A 64 2.755 4.992 6.904 1.00 0.00 C ATOM 1029 O THR A 64 3.642 4.301 6.404 1.00 0.00 O ATOM 1030 CB THR A 64 2.685 3.909 9.169 1.00 0.00 C ATOM 1031 OG1 THR A 64 1.834 3.250 10.115 1.00 0.00 O ATOM 1032 CG2 THR A 64 3.428 5.045 9.859 1.00 0.00 C ATOM 0 H THR A 64 1.383 2.444 7.540 1.00 0.00 H new ATOM 0 HA THR A 64 1.195 5.232 8.357 1.00 0.00 H new ATOM 0 HB THR A 64 3.419 3.205 8.777 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.373 2.916 10.862 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.016 4.646 10.686 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.091 5.533 9.145 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.710 5.770 10.241 1.00 0.00 H new ATOM 1040 N VAL A 65 2.514 6.238 6.524 1.00 0.00 N ATOM 1041 CA VAL A 65 3.308 6.896 5.497 1.00 0.00 C ATOM 1042 C VAL A 65 4.766 7.029 5.922 1.00 0.00 C ATOM 1043 O VAL A 65 5.074 7.558 6.993 1.00 0.00 O ATOM 1044 CB VAL A 65 2.726 8.280 5.149 1.00 0.00 C ATOM 1045 CG1 VAL A 65 3.701 9.099 4.318 1.00 0.00 C ATOM 1046 CG2 VAL A 65 1.415 8.108 4.404 1.00 0.00 C ATOM 0 H VAL A 65 1.770 6.817 6.914 1.00 0.00 H new ATOM 0 HA VAL A 65 3.269 6.270 4.606 1.00 0.00 H new ATOM 0 HB VAL A 65 2.548 8.821 6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.259 10.069 4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.625 9.244 4.878 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.919 8.572 3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.005 9.088 4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.589 7.547 3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.708 7.566 5.032 1.00 0.00 H new ATOM 1056 N GLY A 66 5.655 6.531 5.073 1.00 0.00 N ATOM 1057 CA GLY A 66 7.068 6.551 5.377 1.00 0.00 C ATOM 1058 C GLY A 66 7.537 5.238 5.964 1.00 0.00 C ATOM 1059 O GLY A 66 8.716 4.890 5.869 1.00 0.00 O ATOM 0 H GLY A 66 5.418 6.111 4.174 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.632 6.765 4.469 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.277 7.358 6.079 1.00 0.00 H new ATOM 1063 N ASP A 67 6.616 4.492 6.556 1.00 0.00 N ATOM 1064 CA ASP A 67 6.970 3.224 7.182 1.00 0.00 C ATOM 1065 C ASP A 67 7.128 2.146 6.123 1.00 0.00 C ATOM 1066 O ASP A 67 6.153 1.526 5.695 1.00 0.00 O ATOM 1067 CB ASP A 67 5.926 2.802 8.224 1.00 0.00 C ATOM 1068 CG ASP A 67 6.326 1.539 8.967 1.00 0.00 C ATOM 1069 OD1 ASP A 67 7.469 1.476 9.468 1.00 0.00 O ATOM 1070 OD2 ASP A 67 5.496 0.607 9.072 1.00 0.00 O ATOM 0 H ASP A 67 5.628 4.738 6.617 1.00 0.00 H new ATOM 0 HA ASP A 67 7.920 3.357 7.700 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.784 3.612 8.940 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.968 2.641 7.730 1.00 0.00 H new ATOM 1075 N GLN A 68 8.357 1.976 5.659 1.00 0.00 N ATOM 1076 CA GLN A 68 8.672 0.945 4.682 1.00 0.00 C ATOM 1077 C GLN A 68 8.346 -0.427 5.253 1.00 0.00 C ATOM 1078 O GLN A 68 8.701 -0.730 6.393 1.00 0.00 O ATOM 1079 CB GLN A 68 10.149 1.007 4.294 1.00 0.00 C ATOM 1080 CG GLN A 68 10.604 2.379 3.824 1.00 0.00 C ATOM 1081 CD GLN A 68 12.074 2.409 3.457 1.00 0.00 C ATOM 1082 OE1 GLN A 68 12.876 1.642 3.989 1.00 0.00 O ATOM 1083 NE2 GLN A 68 12.445 3.311 2.565 1.00 0.00 N ATOM 0 H GLN A 68 9.156 2.542 5.945 1.00 0.00 H new ATOM 0 HA GLN A 68 8.070 1.117 3.790 1.00 0.00 H new ATOM 0 HB2 GLN A 68 10.753 0.708 5.151 1.00 0.00 H new ATOM 0 HB3 GLN A 68 10.338 0.281 3.503 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.011 2.679 2.960 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.414 3.110 4.610 1.00 0.00 H new ATOM 0 HE21 GLN A 68 11.751 3.929 2.146 1.00 0.00 H new ATOM 0 HE22 GLN A 68 13.426 3.389 2.296 1.00 0.00 H new ATOM 1092 N GLY A 69 7.702 -1.259 4.459 1.00 0.00 N ATOM 1093 CA GLY A 69 7.272 -2.549 4.947 1.00 0.00 C ATOM 1094 C GLY A 69 6.972 -3.514 3.828 1.00 0.00 C ATOM 1095 O GLY A 69 7.029 -3.148 2.652 1.00 0.00 O ATOM 0 H GLY A 69 7.468 -1.066 3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.047 -2.969 5.588 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.382 -2.423 5.564 1.00 0.00 H new ATOM 1099 N THR A 70 6.649 -4.740 4.194 1.00 0.00 N ATOM 1100 CA THR A 70 6.474 -5.809 3.233 1.00 0.00 C ATOM 1101 C THR A 70 5.119 -5.712 2.537 1.00 0.00 C ATOM 1102 O THR A 70 4.092 -5.461 3.170 1.00 0.00 O ATOM 1103 CB THR A 70 6.608 -7.176 3.931 1.00 0.00 C ATOM 1104 OG1 THR A 70 7.784 -7.181 4.754 1.00 0.00 O ATOM 1105 CG2 THR A 70 6.700 -8.304 2.914 1.00 0.00 C ATOM 0 H THR A 70 6.501 -5.021 5.163 1.00 0.00 H new ATOM 0 HA THR A 70 7.253 -5.711 2.476 1.00 0.00 H new ATOM 0 HB THR A 70 5.721 -7.335 4.544 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.868 -8.050 5.199 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.794 -9.257 3.435 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.800 -8.314 2.299 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.572 -8.151 2.278 1.00 0.00 H new ATOM 1113 N LEU A 71 5.125 -5.916 1.230 1.00 0.00 N ATOM 1114 CA LEU A 71 3.908 -5.877 0.445 1.00 0.00 C ATOM 1115 C LEU A 71 3.659 -7.242 -0.186 1.00 0.00 C ATOM 1116 O LEU A 71 4.528 -7.791 -0.864 1.00 0.00 O ATOM 1117 CB LEU A 71 4.019 -4.808 -0.646 1.00 0.00 C ATOM 1118 CG LEU A 71 2.755 -4.591 -1.480 1.00 0.00 C ATOM 1119 CD1 LEU A 71 1.633 -4.041 -0.617 1.00 0.00 C ATOM 1120 CD2 LEU A 71 3.038 -3.656 -2.644 1.00 0.00 C ATOM 0 H LEU A 71 5.968 -6.112 0.689 1.00 0.00 H new ATOM 0 HA LEU A 71 3.072 -5.626 1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.293 -3.862 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.834 -5.080 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 71 2.440 -5.554 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.743 -3.893 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.411 -4.746 0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.939 -3.088 -0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.127 -3.513 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.379 -2.694 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.810 -4.089 -3.279 1.00 0.00 H new ATOM 1132 N SER A 72 2.481 -7.789 0.067 1.00 0.00 N ATOM 1133 CA SER A 72 2.099 -9.085 -0.468 1.00 0.00 C ATOM 1134 C SER A 72 1.178 -8.905 -1.668 1.00 0.00 C ATOM 1135 O SER A 72 0.044 -8.433 -1.530 1.00 0.00 O ATOM 1136 CB SER A 72 1.400 -9.896 0.620 1.00 0.00 C ATOM 1137 OG SER A 72 2.231 -10.022 1.764 1.00 0.00 O ATOM 0 H SER A 72 1.766 -7.349 0.646 1.00 0.00 H new ATOM 0 HA SER A 72 2.991 -9.619 -0.795 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.463 -9.412 0.896 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.147 -10.885 0.238 1.00 0.00 H new ATOM 0 HG SER A 72 1.682 -10.248 2.544 1.00 0.00 H new ATOM 1143 N TYR A 73 1.668 -9.259 -2.846 1.00 0.00 N ATOM 1144 CA TYR A 73 0.885 -9.124 -4.063 1.00 0.00 C ATOM 1145 C TYR A 73 1.022 -10.367 -4.934 1.00 0.00 C ATOM 1146 O TYR A 73 1.982 -11.131 -4.802 1.00 0.00 O ATOM 1147 CB TYR A 73 1.313 -7.873 -4.848 1.00 0.00 C ATOM 1148 CG TYR A 73 2.751 -7.891 -5.329 1.00 0.00 C ATOM 1149 CD1 TYR A 73 3.784 -7.436 -4.516 1.00 0.00 C ATOM 1150 CD2 TYR A 73 3.073 -8.357 -6.599 1.00 0.00 C ATOM 1151 CE1 TYR A 73 5.096 -7.446 -4.957 1.00 0.00 C ATOM 1152 CE2 TYR A 73 4.381 -8.368 -7.045 1.00 0.00 C ATOM 1153 CZ TYR A 73 5.388 -7.913 -6.221 1.00 0.00 C ATOM 1154 OH TYR A 73 6.692 -7.922 -6.664 1.00 0.00 O ATOM 0 H TYR A 73 2.603 -9.642 -2.984 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.162 -9.014 -3.780 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.657 -7.759 -5.711 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.166 -6.996 -4.217 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.559 -7.069 -3.525 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.288 -8.716 -7.248 1.00 0.00 H new ATOM 0 HE1 TYR A 73 5.887 -7.090 -4.314 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.613 -8.732 -8.035 1.00 0.00 H new ATOM 0 HH TYR A 73 6.726 -8.282 -7.575 1.00 0.00 H new ATOM 1164 N LYS A 74 0.047 -10.574 -5.805 1.00 0.00 N ATOM 1165 CA LYS A 74 0.082 -11.674 -6.755 1.00 0.00 C ATOM 1166 C LYS A 74 -0.231 -11.150 -8.145 1.00 0.00 C ATOM 1167 O LYS A 74 -1.296 -10.572 -8.374 1.00 0.00 O ATOM 1168 CB LYS A 74 -0.917 -12.771 -6.369 1.00 0.00 C ATOM 1169 CG LYS A 74 -0.567 -13.486 -5.075 1.00 0.00 C ATOM 1170 CD LYS A 74 -1.525 -14.630 -4.791 1.00 0.00 C ATOM 1171 CE LYS A 74 -1.136 -15.370 -3.523 1.00 0.00 C ATOM 1172 NZ LYS A 74 -2.018 -16.535 -3.260 1.00 0.00 N ATOM 0 H LYS A 74 -0.785 -9.989 -5.873 1.00 0.00 H new ATOM 0 HA LYS A 74 1.080 -12.111 -6.743 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.909 -12.330 -6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.970 -13.502 -7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.451 -13.870 -5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.592 -12.776 -4.248 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.539 -14.243 -4.693 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.529 -15.322 -5.633 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.103 -15.709 -3.605 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.180 -14.685 -2.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.715 -17.009 -2.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.000 -16.210 -3.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.957 -17.203 -4.055 1.00 0.00 H new ATOM 1186 N GLY A 75 0.702 -11.330 -9.067 1.00 0.00 N ATOM 1187 CA GLY A 75 0.516 -10.809 -10.400 1.00 0.00 C ATOM 1188 C GLY A 75 0.576 -9.297 -10.413 1.00 0.00 C ATOM 1189 O GLY A 75 1.625 -8.709 -10.144 1.00 0.00 O ATOM 0 H GLY A 75 1.580 -11.826 -8.915 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.284 -11.211 -11.060 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.446 -11.140 -10.791 1.00 0.00 H new ATOM 1193 N THR A 76 -0.541 -8.668 -10.728 1.00 0.00 N ATOM 1194 CA THR A 76 -0.619 -7.219 -10.735 1.00 0.00 C ATOM 1195 C THR A 76 -1.597 -6.730 -9.664 1.00 0.00 C ATOM 1196 O THR A 76 -1.841 -5.532 -9.528 1.00 0.00 O ATOM 1197 CB THR A 76 -1.072 -6.702 -12.115 1.00 0.00 C ATOM 1198 OG1 THR A 76 -0.550 -7.552 -13.146 1.00 0.00 O ATOM 1199 CG2 THR A 76 -0.595 -5.277 -12.352 1.00 0.00 C ATOM 0 H THR A 76 -1.409 -9.139 -10.983 1.00 0.00 H new ATOM 0 HA THR A 76 0.376 -6.830 -10.519 1.00 0.00 H new ATOM 0 HB THR A 76 -2.162 -6.712 -12.138 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.841 -7.221 -14.021 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.930 -4.940 -13.333 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.007 -4.623 -11.583 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.494 -5.246 -12.310 1.00 0.00 H new ATOM 1207 N ARG A 77 -2.139 -7.664 -8.885 1.00 0.00 N ATOM 1208 CA ARG A 77 -3.188 -7.328 -7.932 1.00 0.00 C ATOM 1209 C ARG A 77 -2.667 -7.317 -6.497 1.00 0.00 C ATOM 1210 O ARG A 77 -1.842 -8.149 -6.107 1.00 0.00 O ATOM 1211 CB ARG A 77 -4.366 -8.298 -8.065 1.00 0.00 C ATOM 1212 CG ARG A 77 -5.524 -7.979 -7.131 1.00 0.00 C ATOM 1213 CD ARG A 77 -6.764 -8.784 -7.475 1.00 0.00 C ATOM 1214 NE ARG A 77 -7.870 -8.501 -6.560 1.00 0.00 N ATOM 1215 CZ ARG A 77 -8.732 -7.495 -6.712 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -8.622 -6.671 -7.748 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -9.712 -7.320 -5.836 1.00 0.00 N ATOM 0 H ARG A 77 -1.871 -8.648 -8.896 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.532 -6.320 -8.166 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.725 -8.282 -9.094 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.017 -9.311 -7.865 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.229 -8.187 -6.102 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.754 -6.915 -7.188 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.071 -8.559 -8.496 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.527 -9.847 -7.441 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.990 -9.113 -5.753 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.876 -6.807 -8.431 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.283 -5.903 -7.861 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.808 -7.956 -5.044 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.370 -6.550 -5.954 1.00 0.00 H new ATOM 1231 N PHE A 78 -3.161 -6.353 -5.731 1.00 0.00 N ATOM 1232 CA PHE A 78 -2.821 -6.203 -4.323 1.00 0.00 C ATOM 1233 C PHE A 78 -3.541 -7.252 -3.479 1.00 0.00 C ATOM 1234 O PHE A 78 -4.739 -7.482 -3.651 1.00 0.00 O ATOM 1235 CB PHE A 78 -3.212 -4.790 -3.870 1.00 0.00 C ATOM 1236 CG PHE A 78 -3.102 -4.537 -2.391 1.00 0.00 C ATOM 1237 CD1 PHE A 78 -1.881 -4.239 -1.813 1.00 0.00 C ATOM 1238 CD2 PHE A 78 -4.229 -4.579 -1.585 1.00 0.00 C ATOM 1239 CE1 PHE A 78 -1.784 -3.992 -0.457 1.00 0.00 C ATOM 1240 CE2 PHE A 78 -4.138 -4.331 -0.230 1.00 0.00 C ATOM 1241 CZ PHE A 78 -2.915 -4.037 0.335 1.00 0.00 C ATOM 0 H PHE A 78 -3.814 -5.648 -6.073 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.749 -6.349 -4.190 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.582 -4.071 -4.393 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.239 -4.598 -4.180 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.994 -4.199 -2.428 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.190 -4.808 -2.022 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.825 -3.764 -0.017 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.024 -4.367 0.387 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.841 -3.842 1.395 1.00 0.00 H new ATOM 1251 N VAL A 79 -2.806 -7.895 -2.582 1.00 0.00 N ATOM 1252 CA VAL A 79 -3.392 -8.876 -1.680 1.00 0.00 C ATOM 1253 C VAL A 79 -3.458 -8.321 -0.259 1.00 0.00 C ATOM 1254 O VAL A 79 -4.526 -8.276 0.354 1.00 0.00 O ATOM 1255 CB VAL A 79 -2.597 -10.200 -1.683 1.00 0.00 C ATOM 1256 CG1 VAL A 79 -3.240 -11.220 -0.753 1.00 0.00 C ATOM 1257 CG2 VAL A 79 -2.491 -10.757 -3.095 1.00 0.00 C ATOM 0 H VAL A 79 -1.803 -7.755 -2.460 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.401 -9.084 -2.037 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.591 -9.993 -1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.663 -12.144 -0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.259 -10.825 0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.259 -11.422 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.928 -11.690 -3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.490 -10.944 -3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.979 -10.036 -3.733 1.00 0.00 H new ATOM 1267 N GLY A 80 -2.315 -7.887 0.260 1.00 0.00 N ATOM 1268 CA GLY A 80 -2.277 -7.335 1.597 1.00 0.00 C ATOM 1269 C GLY A 80 -0.964 -6.643 1.902 1.00 0.00 C ATOM 1270 O GLY A 80 0.066 -6.956 1.302 1.00 0.00 O ATOM 0 H GLY A 80 -1.416 -7.908 -0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.095 -6.624 1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.440 -8.133 2.321 1.00 0.00 H new ATOM 1274 N PHE A 81 -1.002 -5.694 2.823 1.00 0.00 N ATOM 1275 CA PHE A 81 0.198 -4.991 3.248 1.00 0.00 C ATOM 1276 C PHE A 81 0.594 -5.453 4.643 1.00 0.00 C ATOM 1277 O PHE A 81 -0.258 -5.593 5.522 1.00 0.00 O ATOM 1278 CB PHE A 81 -0.029 -3.474 3.232 1.00 0.00 C ATOM 1279 CG PHE A 81 1.164 -2.679 3.691 1.00 0.00 C ATOM 1280 CD1 PHE A 81 2.291 -2.569 2.890 1.00 0.00 C ATOM 1281 CD2 PHE A 81 1.159 -2.045 4.924 1.00 0.00 C ATOM 1282 CE1 PHE A 81 3.389 -1.843 3.311 1.00 0.00 C ATOM 1283 CE2 PHE A 81 2.253 -1.317 5.349 1.00 0.00 C ATOM 1284 CZ PHE A 81 3.370 -1.216 4.542 1.00 0.00 C ATOM 0 H PHE A 81 -1.855 -5.391 3.293 1.00 0.00 H new ATOM 0 HA PHE A 81 1.006 -5.220 2.553 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.293 -3.166 2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.880 -3.236 3.870 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.311 -3.056 1.926 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.289 -2.121 5.560 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.261 -1.766 2.678 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.235 -0.827 6.311 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.227 -0.648 4.873 1.00 0.00 H new ATOM 1294 N VAL A 82 1.880 -5.700 4.841 1.00 0.00 N ATOM 1295 CA VAL A 82 2.369 -6.195 6.117 1.00 0.00 C ATOM 1296 C VAL A 82 3.471 -5.293 6.660 1.00 0.00 C ATOM 1297 O VAL A 82 4.610 -5.339 6.197 1.00 0.00 O ATOM 1298 CB VAL A 82 2.909 -7.640 5.998 1.00 0.00 C ATOM 1299 CG1 VAL A 82 3.343 -8.169 7.357 1.00 0.00 C ATOM 1300 CG2 VAL A 82 1.869 -8.561 5.373 1.00 0.00 C ATOM 0 H VAL A 82 2.603 -5.566 4.134 1.00 0.00 H new ATOM 0 HA VAL A 82 1.524 -6.193 6.805 1.00 0.00 H new ATOM 0 HB VAL A 82 3.781 -7.619 5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.719 -9.186 7.248 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.130 -7.532 7.761 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.491 -8.168 8.037 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.274 -9.571 5.301 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.973 -8.573 5.994 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.615 -8.200 4.376 1.00 0.00 H new ATOM 1310 N SER A 83 3.121 -4.454 7.626 1.00 0.00 N ATOM 1311 CA SER A 83 4.105 -3.626 8.304 1.00 0.00 C ATOM 1312 C SER A 83 5.033 -4.514 9.129 1.00 0.00 C ATOM 1313 O SER A 83 4.664 -5.632 9.506 1.00 0.00 O ATOM 1314 CB SER A 83 3.408 -2.590 9.197 1.00 0.00 C ATOM 1315 OG SER A 83 4.346 -1.780 9.889 1.00 0.00 O ATOM 0 H SER A 83 2.164 -4.330 7.956 1.00 0.00 H new ATOM 0 HA SER A 83 4.696 -3.088 7.563 1.00 0.00 H new ATOM 0 HB2 SER A 83 2.762 -1.959 8.587 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.768 -3.101 9.916 1.00 0.00 H new ATOM 0 HG SER A 83 4.568 -0.997 9.343 1.00 0.00 H new ATOM 1321 N ARG A 84 6.237 -4.026 9.394 1.00 0.00 N ATOM 1322 CA ARG A 84 7.224 -4.790 10.147 1.00 0.00 C ATOM 1323 C ARG A 84 6.735 -5.027 11.572 1.00 0.00 C ATOM 1324 O ARG A 84 7.057 -6.043 12.192 1.00 0.00 O ATOM 1325 CB ARG A 84 8.567 -4.061 10.146 1.00 0.00 C ATOM 1326 CG ARG A 84 9.063 -3.737 8.746 1.00 0.00 C ATOM 1327 CD ARG A 84 10.355 -2.944 8.773 1.00 0.00 C ATOM 1328 NE ARG A 84 10.660 -2.367 7.466 1.00 0.00 N ATOM 1329 CZ ARG A 84 11.788 -2.589 6.795 1.00 0.00 C ATOM 1330 NH1 ARG A 84 12.707 -3.413 7.281 1.00 0.00 N ATOM 1331 NH2 ARG A 84 11.993 -1.988 5.628 1.00 0.00 N ATOM 0 H ARG A 84 6.555 -3.103 9.098 1.00 0.00 H new ATOM 0 HA ARG A 84 7.360 -5.760 9.669 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.473 -3.137 10.716 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.309 -4.676 10.656 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.217 -4.663 8.192 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.300 -3.170 8.213 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.278 -2.148 9.514 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.174 -3.592 9.085 1.00 0.00 H new ATOM 0 HE ARG A 84 9.964 -1.755 7.040 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.551 -3.881 8.174 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.569 -3.579 6.762 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.287 -1.358 5.248 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.857 -2.157 5.112 1.00 0.00 H new ATOM 1345 N THR A 85 5.939 -4.088 12.070 1.00 0.00 N ATOM 1346 CA THR A 85 5.302 -4.213 13.372 1.00 0.00 C ATOM 1347 C THR A 85 3.985 -3.432 13.381 1.00 0.00 C ATOM 1348 O THR A 85 3.981 -2.214 13.195 1.00 0.00 O ATOM 1349 CB THR A 85 6.220 -3.704 14.507 1.00 0.00 C ATOM 1350 OG1 THR A 85 7.408 -4.508 14.575 1.00 0.00 O ATOM 1351 CG2 THR A 85 5.506 -3.745 15.852 1.00 0.00 C ATOM 0 H THR A 85 5.718 -3.220 11.582 1.00 0.00 H new ATOM 0 HA THR A 85 5.106 -5.271 13.549 1.00 0.00 H new ATOM 0 HB THR A 85 6.486 -2.670 14.286 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.985 -4.178 15.295 1.00 0.00 H new ATOM 0 HG21 THR A 85 6.176 -3.381 16.631 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.619 -3.113 15.812 1.00 0.00 H new ATOM 0 HG23 THR A 85 5.211 -4.770 16.076 1.00 0.00 H new ATOM 1359 N PRO A 86 2.849 -4.127 13.561 1.00 0.00 N ATOM 1360 CA PRO A 86 1.522 -3.503 13.582 1.00 0.00 C ATOM 1361 C PRO A 86 1.212 -2.832 14.921 1.00 0.00 C ATOM 1362 O PRO A 86 2.112 -2.572 15.723 1.00 0.00 O ATOM 1363 CB PRO A 86 0.562 -4.683 13.345 1.00 0.00 C ATOM 1364 CG PRO A 86 1.420 -5.892 13.141 1.00 0.00 C ATOM 1365 CD PRO A 86 2.753 -5.576 13.751 1.00 0.00 C ATOM 0 HA PRO A 86 1.439 -2.711 12.838 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.104 -4.819 14.197 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.068 -4.502 12.474 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.975 -6.768 13.613 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.523 -6.120 12.080 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.793 -5.851 14.805 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.564 -6.106 13.252 1.00 0.00 H new ATOM 1373 N ASP A 87 -0.069 -2.546 15.153 1.00 0.00 N ATOM 1374 CA ASP A 87 -0.509 -1.962 16.419 1.00 0.00 C ATOM 1375 C ASP A 87 -0.402 -2.998 17.526 1.00 0.00 C ATOM 1376 O ASP A 87 -0.093 -2.679 18.674 1.00 0.00 O ATOM 1377 CB ASP A 87 -1.963 -1.477 16.334 1.00 0.00 C ATOM 1378 CG ASP A 87 -2.171 -0.373 15.318 1.00 0.00 C ATOM 1379 OD1 ASP A 87 -2.358 -0.688 14.126 1.00 0.00 O ATOM 1380 OD2 ASP A 87 -2.182 0.814 15.709 1.00 0.00 O ATOM 0 H ASP A 87 -0.819 -2.709 14.481 1.00 0.00 H new ATOM 0 HA ASP A 87 0.134 -1.108 16.634 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.605 -2.320 16.080 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.277 -1.121 17.315 1.00 0.00 H new ATOM 1385 N ASN A 88 -0.658 -4.244 17.157 1.00 0.00 N ATOM 1386 CA ASN A 88 -0.643 -5.353 18.093 1.00 0.00 C ATOM 1387 C ASN A 88 0.285 -6.442 17.588 1.00 0.00 C ATOM 1388 O ASN A 88 0.937 -6.282 16.557 1.00 0.00 O ATOM 1389 CB ASN A 88 -2.052 -5.928 18.259 1.00 0.00 C ATOM 1390 CG ASN A 88 -3.014 -4.978 18.941 1.00 0.00 C ATOM 1391 OD1 ASN A 88 -4.202 -4.948 18.619 1.00 0.00 O ATOM 1392 ND2 ASN A 88 -2.520 -4.209 19.897 1.00 0.00 N ATOM 0 H ASN A 88 -0.882 -4.513 16.199 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.289 -4.988 19.057 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -2.447 -6.190 17.278 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.994 -6.851 18.836 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.130 -3.562 20.397 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.530 -4.263 20.135 1.00 0.00 H new ATOM 1399 N GLU A 89 0.338 -7.548 18.311 1.00 0.00 N ATOM 1400 CA GLU A 89 1.105 -8.702 17.873 1.00 0.00 C ATOM 1401 C GLU A 89 0.290 -9.507 16.870 1.00 0.00 C ATOM 1402 O GLU A 89 0.834 -10.270 16.074 1.00 0.00 O ATOM 1403 CB GLU A 89 1.494 -9.590 19.061 1.00 0.00 C ATOM 1404 CG GLU A 89 2.604 -9.022 19.940 1.00 0.00 C ATOM 1405 CD GLU A 89 2.196 -7.764 20.680 1.00 0.00 C ATOM 1406 OE1 GLU A 89 1.345 -7.853 21.588 1.00 0.00 O ATOM 1407 OE2 GLU A 89 2.737 -6.684 20.369 1.00 0.00 O ATOM 0 H GLU A 89 -0.141 -7.671 19.203 1.00 0.00 H new ATOM 0 HA GLU A 89 2.021 -8.347 17.401 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.611 -9.758 19.677 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.809 -10.563 18.683 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.909 -9.778 20.663 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.474 -8.805 19.320 1.00 0.00 H new ATOM 1414 N LEU A 90 -1.022 -9.326 16.915 1.00 0.00 N ATOM 1415 CA LEU A 90 -1.926 -10.026 16.016 1.00 0.00 C ATOM 1416 C LEU A 90 -2.297 -9.142 14.831 1.00 0.00 C ATOM 1417 O LEU A 90 -2.459 -7.929 14.977 1.00 0.00 O ATOM 1418 CB LEU A 90 -3.190 -10.456 16.762 1.00 0.00 C ATOM 1419 CG LEU A 90 -2.961 -11.410 17.935 1.00 0.00 C ATOM 1420 CD1 LEU A 90 -4.276 -11.715 18.633 1.00 0.00 C ATOM 1421 CD2 LEU A 90 -2.300 -12.694 17.460 1.00 0.00 C ATOM 0 H LEU A 90 -1.486 -8.696 17.569 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.416 -10.914 15.642 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.695 -9.564 17.133 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.866 -10.933 16.053 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.294 -10.926 18.648 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.097 -12.395 19.466 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.712 -10.789 19.008 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.964 -12.180 17.926 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.146 -13.359 18.309 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.941 -13.184 16.727 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.339 -12.461 17.002 1.00 0.00 H new ATOM 1433 N GLU A 91 -2.447 -9.761 13.666 1.00 0.00 N ATOM 1434 CA GLU A 91 -2.788 -9.043 12.441 1.00 0.00 C ATOM 1435 C GLU A 91 -4.266 -8.667 12.414 1.00 0.00 C ATOM 1436 O GLU A 91 -4.707 -7.938 11.528 1.00 0.00 O ATOM 1437 CB GLU A 91 -2.481 -9.911 11.220 1.00 0.00 C ATOM 1438 CG GLU A 91 -1.023 -10.307 11.088 1.00 0.00 C ATOM 1439 CD GLU A 91 -0.830 -11.420 10.083 1.00 0.00 C ATOM 1440 OE1 GLU A 91 -0.858 -11.146 8.866 1.00 0.00 O ATOM 1441 OE2 GLU A 91 -0.673 -12.586 10.507 1.00 0.00 O ATOM 0 H GLU A 91 -2.337 -10.767 13.543 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.189 -8.133 12.416 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.088 -10.815 11.269 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.782 -9.373 10.321 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.437 -9.439 10.786 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.644 -10.625 12.059 1.00 0.00 H new ATOM 1448 N HIS A 92 -5.023 -9.184 13.384 1.00 0.00 N ATOM 1449 CA HIS A 92 -6.477 -9.000 13.426 1.00 0.00 C ATOM 1450 C HIS A 92 -7.129 -9.675 12.225 1.00 0.00 C ATOM 1451 O HIS A 92 -8.231 -9.311 11.816 1.00 0.00 O ATOM 1452 CB HIS A 92 -6.860 -7.514 13.462 1.00 0.00 C ATOM 1453 CG HIS A 92 -6.616 -6.844 14.779 1.00 0.00 C ATOM 1454 ND1 HIS A 92 -7.634 -6.496 15.644 1.00 0.00 N ATOM 1455 CD2 HIS A 92 -5.466 -6.445 15.375 1.00 0.00 C ATOM 1456 CE1 HIS A 92 -7.122 -5.908 16.707 1.00 0.00 C ATOM 1457 NE2 HIS A 92 -5.811 -5.863 16.570 1.00 0.00 N ATOM 0 H HIS A 92 -4.651 -9.737 14.156 1.00 0.00 H new ATOM 0 HA HIS A 92 -6.841 -9.462 14.344 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -6.298 -6.988 12.691 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -7.916 -7.417 13.209 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -4.466 -6.563 14.984 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -7.682 -5.527 17.548 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -5.159 -5.461 17.243 1.00 0.00 H new ATOM 1466 N HIS A 93 -6.456 -10.686 11.682 1.00 0.00 N ATOM 1467 CA HIS A 93 -6.955 -11.389 10.507 1.00 0.00 C ATOM 1468 C HIS A 93 -8.019 -12.396 10.930 1.00 0.00 C ATOM 1469 O HIS A 93 -8.716 -12.984 10.100 1.00 0.00 O ATOM 1470 CB HIS A 93 -5.808 -12.087 9.769 1.00 0.00 C ATOM 1471 CG HIS A 93 -6.006 -12.149 8.283 1.00 0.00 C ATOM 1472 ND1 HIS A 93 -5.942 -13.316 7.553 1.00 0.00 N ATOM 1473 CD2 HIS A 93 -6.245 -11.162 7.385 1.00 0.00 C ATOM 1474 CE1 HIS A 93 -6.135 -13.045 6.276 1.00 0.00 C ATOM 1475 NE2 HIS A 93 -6.322 -11.747 6.147 1.00 0.00 N ATOM 0 H HIS A 93 -5.566 -11.035 12.037 1.00 0.00 H new ATOM 0 HA HIS A 93 -7.402 -10.668 9.822 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -4.876 -11.563 9.982 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -5.700 -13.100 10.156 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -6.354 -10.110 7.604 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -6.139 -13.766 5.472 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -6.496 -11.257 5.269 1.00 0.00 H new ATOM 1484 N HIS A 94 -8.112 -12.598 12.237 1.00 0.00 N ATOM 1485 CA HIS A 94 -9.191 -13.363 12.840 1.00 0.00 C ATOM 1486 C HIS A 94 -9.738 -12.593 14.034 1.00 0.00 C ATOM 1487 O HIS A 94 -9.142 -12.601 15.114 1.00 0.00 O ATOM 1488 CB HIS A 94 -8.720 -14.755 13.280 1.00 0.00 C ATOM 1489 CG HIS A 94 -8.501 -15.709 12.145 1.00 0.00 C ATOM 1490 ND1 HIS A 94 -9.480 -16.560 11.679 1.00 0.00 N ATOM 1491 CD2 HIS A 94 -7.409 -15.943 11.380 1.00 0.00 C ATOM 1492 CE1 HIS A 94 -9.001 -17.271 10.678 1.00 0.00 C ATOM 1493 NE2 HIS A 94 -7.747 -16.918 10.476 1.00 0.00 N ATOM 0 H HIS A 94 -7.438 -12.234 12.910 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.974 -13.504 12.095 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.791 -14.653 13.840 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.458 -15.179 13.961 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -6.450 -15.453 11.465 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -9.544 -18.017 10.117 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -7.129 -17.306 9.764 1.00 0.00 H new ATOM 1502 N HIS A 95 -10.861 -11.917 13.832 1.00 0.00 N ATOM 1503 CA HIS A 95 -11.433 -11.052 14.863 1.00 0.00 C ATOM 1504 C HIS A 95 -12.317 -11.844 15.822 1.00 0.00 C ATOM 1505 O HIS A 95 -12.921 -11.287 16.738 1.00 0.00 O ATOM 1506 CB HIS A 95 -12.207 -9.880 14.234 1.00 0.00 C ATOM 1507 CG HIS A 95 -13.280 -10.275 13.260 1.00 0.00 C ATOM 1508 ND1 HIS A 95 -13.052 -10.413 11.908 1.00 0.00 N ATOM 1509 CD2 HIS A 95 -14.598 -10.529 13.443 1.00 0.00 C ATOM 1510 CE1 HIS A 95 -14.180 -10.731 11.303 1.00 0.00 C ATOM 1511 NE2 HIS A 95 -15.134 -10.808 12.211 1.00 0.00 N ATOM 0 H HIS A 95 -11.396 -11.949 12.964 1.00 0.00 H new ATOM 0 HA HIS A 95 -10.609 -10.636 15.442 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -12.661 -9.294 15.033 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -11.497 -9.228 13.724 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -15.128 -10.515 14.384 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -14.302 -10.900 10.243 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -16.111 -11.037 12.027 1.00 0.00 H new ATOM 1520 N HIS A 96 -12.387 -13.146 15.596 1.00 0.00 N ATOM 1521 CA HIS A 96 -13.045 -14.058 16.518 1.00 0.00 C ATOM 1522 C HIS A 96 -12.414 -15.433 16.386 1.00 0.00 C ATOM 1523 O HIS A 96 -12.084 -15.860 15.281 1.00 0.00 O ATOM 1524 CB HIS A 96 -14.553 -14.133 16.249 1.00 0.00 C ATOM 1525 CG HIS A 96 -15.276 -15.060 17.182 1.00 0.00 C ATOM 1526 ND1 HIS A 96 -15.556 -14.739 18.491 1.00 0.00 N ATOM 1527 CD2 HIS A 96 -15.755 -16.313 16.995 1.00 0.00 C ATOM 1528 CE1 HIS A 96 -16.169 -15.753 19.070 1.00 0.00 C ATOM 1529 NE2 HIS A 96 -16.304 -16.721 18.184 1.00 0.00 N ATOM 0 H HIS A 96 -11.991 -13.599 14.772 1.00 0.00 H new ATOM 0 HA HIS A 96 -12.914 -13.687 17.535 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -14.981 -13.134 16.336 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -14.716 -14.461 15.223 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -15.713 -16.885 16.080 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -16.504 -15.785 20.096 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -16.745 -17.625 18.355 1.00 0.00 H new ATOM 1538 N HIS A 97 -12.212 -16.105 17.506 1.00 0.00 N ATOM 1539 CA HIS A 97 -11.611 -17.430 17.497 1.00 0.00 C ATOM 1540 C HIS A 97 -12.598 -18.432 18.075 1.00 0.00 C ATOM 1541 O HIS A 97 -12.524 -18.706 19.292 1.00 0.00 O ATOM 1542 CB HIS A 97 -10.308 -17.455 18.311 1.00 0.00 C ATOM 1543 CG HIS A 97 -9.420 -16.265 18.100 1.00 0.00 C ATOM 1544 ND1 HIS A 97 -8.801 -15.605 19.136 1.00 0.00 N ATOM 1545 CD2 HIS A 97 -9.065 -15.604 16.973 1.00 0.00 C ATOM 1546 CE1 HIS A 97 -8.109 -14.589 18.661 1.00 0.00 C ATOM 1547 NE2 HIS A 97 -8.250 -14.563 17.349 1.00 0.00 N ATOM 1548 OXT HIS A 97 -13.470 -18.907 17.320 1.00 0.00 O ATOM 0 H HIS A 97 -12.455 -15.756 18.433 1.00 0.00 H new ATOM 0 HA HIS A 97 -11.370 -17.695 16.467 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -10.557 -17.523 19.370 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -9.752 -18.357 18.056 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -9.366 -15.849 15.965 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.525 -13.895 19.247 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -7.825 -13.883 16.719 1.00 0.00 H new TER 1557 HIS A 97